#DEFINITION	Reference Metabolome for Calliandra haematocephala
#IDENTTFIER	RefMeta-Calliandra haematocephala.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Calliandra haematocephala
#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 Calliandra haematocephala was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.566
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47979	4.0
69.48376	14.9
71.01392	12.3
78.59788	2.5
85.02966	2.6
89.02450	11.2
98.19781	2.7
101.02442	10.5
113.02482	6.2
116.92853	5.3
119.03517	3.3
125.02485	4.6
161.04538	2.7
171.10207	15.3
196.11227	2.6
211.13423	5.6
255.23288	18.6
277.21701	4.8
291.19690	2.9
309.20755	9.0
327.21741	100.0
328.22006	5.0
341.23257	16.5
397.13489	71.6
398.13907	3.4
407.69955	3.2
415.14429	17.7
416.14941	3.0
565.53949	2.4
653.37927	16.2
707.34381	14.9
708.34619	3.0
725.36316	4.1
773.12335	2.8
961.60663	2.9
963.59003	21.9
999.56628	31.6
1000.56134	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	999.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95589	0.6
71.01382	18.3
71.96301	0.3
72.99301	1.0
73.02945	2.6
81.03447	1.1
83.01406	1.8
83.05027	1.2
85.02949	4.2
85.03410	0.6
87.00868	3.3
89.02444	13.9
93.03447	0.8
95.01382	1.2
95.05033	1.7
97.02944	2.6
97.06577	0.5
99.00871	1.4
101.02441	14.1
109.06577	1.0
111.04527	0.8
111.08163	9.7
113.02450	6.2
113.09702	0.8
116.92845	2.0
119.03493	4.4
123.08192	0.5
125.02447	4.9
127.07649	0.6
131.03477	0.9
133.05023	0.4
137.09711	1.0
139.11292	0.4
141.01872	0.7
143.03488	2.2
149.04578	0.6
149.09668	0.9
151.11247	0.4
161.04527	3.3
167.03508	0.4
167.10736	2.0
177.09055	0.4
177.12840	2.6
179.05592	3.3
179.10805	1.7
179.14236	0.4
189.14638	0.4
191.14449	0.4
193.16005	0.4
195.13898	7.6
197.11865	0.7
203.14375	0.7
217.07167	0.6
221.06744	1.7
221.11903	0.4
223.13293	1.8
235.08292	3.0
245.06645	0.7
245.19144	1.2
247.20650	2.4
253.09286	0.5
263.07758	0.7
273.18567	1.6
275.20175	1.9
277.09012	0.5
277.21832	0.7
287.07745	0.8
289.18066	6.0
290.18378	0.5
291.19647	100.0
292.19974	6.5
293.21219	10.6
294.21561	0.9
305.08716	0.7
307.19128	6.9
309.20541	0.6
323.09836	0.5
379.12411	0.5
397.13510	12.1
398.14011	1.2
415.14609	6.8
416.14868	0.4
427.02747	0.4
463.50601	0.4
555.63330	0.3
727.88354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
70.94636	100.0
70.94975	40.8
111.61516	40.2
124.95521	41.3
145.25313	40.1
354.62726	43.2
521.06537	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5688
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06664	52.4
70.94744	100.0
81.32410	51.2
106.45583	46.0
199.64151	54.5
227.90395	46.8
267.45898	56.9
614.46747	65.6
674.67957	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	0.5
71.01396	0.9
73.02953	0.5
78.16209	0.2
79.01894	0.6
81.03461	0.3
83.01381	0.4
85.02968	1.0
87.00912	0.3
95.01348	1.1
96.96015	0.7
97.02969	0.4
101.02444	0.9
107.00706	0.5
107.01392	6.5
108.01708	0.3
111.00884	1.6
111.46941	0.3
113.02468	0.7
123.00885	6.7
124.01683	0.9
125.02448	23.7
126.02798	0.6
127.00372	0.6
130.89278	0.3
136.98807	1.1
137.02448	0.4
139.00366	2.7
140.01158	2.2
141.01956	0.8
151.00368	4.5
153.01852	0.3
154.99974	0.3
161.02531	0.3
163.04065	0.3
166.99779	0.3
167.03516	0.3
168.00639	3.4
169.01424	29.9
170.01822	0.7
179.03534	0.5
181.05092	0.4
211.02481	0.6
237.03917	0.3
253.03777	0.3
258.66663	0.3
295.04517	0.5
305.06555	0.4
313.05615	2.0
367.81589	0.2
371.09705	1.6
389.10889	34.8
390.11307	2.2
457.07623	0.3
541.11975	100.0
542.12292	9.1
628.44818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01001	1.6
71.01381	31.0
72.01754	0.7
72.99302	2.1
73.02938	4.1
73.98203	0.9
80.91645	0.7
81.03452	1.7
83.01390	2.9
83.05035	2.2
85.02937	8.1
87.00874	6.4
89.02444	22.1
93.03464	1.2
95.01388	3.1
95.05019	1.5
95.32930	0.8
96.96005	1.2
97.02930	5.3
97.06578	3.7
97.18491	0.7
98.20710	2.0
99.00860	2.1
101.01777	1.4
101.02443	21.2
107.05029	0.8
109.02968	1.0
109.06584	1.2
111.00912	0.8
111.04478	1.1
111.08157	18.4
113.02460	14.3
116.92866	0.7
117.97392	0.9
119.03493	7.8
122.48318	0.8
122.87513	0.8
123.04527	1.6
125.02437	9.9
125.09663	1.6
127.07635	1.2
131.03497	1.8
135.08073	1.0
135.11781	0.9
137.02422	1.3
139.11285	0.9
143.03488	5.1
149.04555	0.9
149.09669	1.7
151.11284	2.7
153.12845	1.1
161.04558	5.6
163.11221	1.1
165.12807	3.4
167.10762	3.0
169.12375	4.7
171.10219	2.1
177.12846	1.9
179.05566	6.5
179.10728	3.1
181.12315	2.8
183.13892	1.4
185.04417	1.0
185.11841	1.0
191.10796	1.1
195.13875	11.5
197.11832	45.2
198.12103	1.8
199.06064	0.8
199.13399	4.1
209.11877	7.6
211.13448	7.9
217.07036	1.0
221.06599	3.0
223.13416	3.3
224.37485	0.8
227.12914	6.6
235.08209	5.0
239.12814	0.9
245.19058	3.1
247.20631	2.3
253.09251	1.6
263.20157	6.5
265.17941	1.1
273.18610	2.7
275.20114	3.8
277.21616	1.3
286.95120	0.9
287.07730	1.0
289.18060	8.2
290.18515	1.6
291.19641	100.0
292.20010	6.5
293.21225	50.2
294.21490	2.9
299.73105	0.8
305.08786	1.6
307.19138	17.8
308.19452	1.4
309.20700	65.0
310.21066	4.8
323.09979	1.6
330.82013	0.7
379.12518	1.3
397.13470	39.8
398.13702	2.5
415.14557	20.0
416.15118	1.9
472.18179	0.8
494.39017	0.7
583.40076	0.9
589.24725	1.0
592.71527	0.8
607.26019	2.4
689.33771	2.6
705.33704	1.7
911.51776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	2.0
71.01382	24.9
72.33674	0.8
72.69855	0.9
72.99316	1.5
73.02944	4.3
78.71300	0.8
78.95879	1.1
81.03446	2.4
83.01391	3.4
83.05040	1.6
85.02945	5.1
87.00874	6.2
89.02446	19.9
95.01386	2.3
95.05005	2.2
96.95997	2.6
97.02932	4.9
97.06580	3.4
98.20680	3.4
101.02451	16.2
109.06560	2.3
111.00838	1.5
111.08159	9.8
113.02451	9.9
115.03980	1.0
118.95122	0.9
119.03515	5.1
123.00893	1.2
123.04485	1.7
123.08186	1.7
125.02443	10.7
125.09692	4.6
127.07620	1.8
137.02412	1.3
137.09718	2.8
141.01981	1.3
143.03520	3.2
151.11269	3.1
153.09171	1.2
161.04515	5.3
163.11278	4.8
165.12860	4.8
169.01430	1.6
169.12303	5.5
171.10251	1.9
177.12874	1.9
179.05560	6.2
179.10764	2.6
181.12297	4.2
183.13898	1.9
185.11795	3.7
191.10768	1.8
191.14384	5.0
193.12340	1.4
197.11826	54.7
198.12097	1.8
199.13370	2.6
205.56299	1.0
207.10202	1.8
209.11827	12.2
211.13371	8.3
220.88614	0.9
221.06668	2.6
225.11293	2.3
227.12827	5.7
229.71648	1.3
235.08134	3.5
237.11285	2.2
245.19084	12.8
253.09299	1.2
263.20163	9.0
265.18121	1.6
271.17029	1.9
279.19702	1.4
281.78720	0.9
289.18088	46.5
290.18442	2.9
291.19647	22.6
293.21222	4.2
307.19150	50.3
308.19427	3.7
309.20706	100.0
310.20981	5.5
323.09717	1.2
325.19934	1.9
343.45404	1.1
379.12402	2.6
397.13513	33.5
398.13757	1.4
415.14539	18.6
416.14813	1.6
607.26080	3.9
687.33014	2.3
689.33990	2.0
689.45575	1.0
705.33258	5.2
707.35199	2.6
899.46082	4.5
943.11432	1.1
997.53986	6.4
998.54248	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	992.5799
Annotation	Unknow
Peak:m/z	Relative Intensity
77.37153	75.4
156.88020	85.2
162.94888	93.7
163.06250	72.7
877.44080	97.1
878.72748	89.4
981.81750	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	997.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	4.1
71.01382	43.7
71.53448	2.0
72.99303	4.0
73.02949	7.1
75.00870	1.2
78.32357	1.2
80.02683	1.4
80.08018	1.1
81.03454	3.8
83.01374	6.0
83.05013	3.6
84.25390	1.2
85.02954	13.4
86.19067	1.2
87.00878	10.3
89.02449	33.8
93.03452	2.0
95.01376	3.7
95.05023	5.1
96.95922	1.2
97.02962	11.7
97.06597	4.9
99.00878	3.7
101.02448	31.8
106.04262	3.7
107.05021	4.2
109.02961	2.5
109.06591	6.0
111.04522	1.9
111.08148	9.8
113.02451	18.3
119.03513	8.2
121.02940	1.7
123.04507	3.7
124.01636	1.5
125.02458	16.0
125.09716	4.3
131.03502	1.9
135.08157	2.7
137.02449	1.8
137.09726	4.1
139.04054	1.3
141.01974	1.5
143.03493	5.6
149.06036	1.6
151.07706	4.4
151.11256	1.6
161.04547	6.9
163.11256	8.5
165.09154	1.6
165.12851	3.9
167.03497	2.4
167.10736	1.3
169.01439	2.9
169.12332	4.5
171.10271	5.4
172.91618	1.2
177.12817	4.0
179.05611	12.5
179.10733	1.7
179.14464	2.1
181.12366	3.7
185.11797	4.6
189.12837	1.5
191.10870	1.4
191.14432	8.3
193.12317	1.5
195.13899	21.8
197.11836	41.0
199.13396	2.0
201.11333	1.3
203.10826	4.7
203.14507	1.8
205.15970	1.6
207.10179	3.9
207.13956	2.1
209.11852	13.9
209.15474	1.5
211.13457	7.8
219.13977	1.6
221.06630	5.6
221.11864	3.9
221.15413	3.4
223.13376	7.9
225.11301	2.1
227.12886	4.2
229.12399	2.7
235.08257	9.9
235.13356	7.5
237.11334	2.9
237.15022	6.7
243.17494	1.9
245.19063	14.3
247.13429	16.0
247.20741	1.9
249.14899	1.4
253.09212	3.6
253.14253	1.5
261.18530	5.8
263.20126	8.3
265.14383	9.4
265.18143	1.6
271.16974	1.3
273.18814	1.4
275.20056	6.0
279.19647	3.1
287.07635	1.5
287.16495	9.3
289.18085	54.1
290.18414	4.3
291.19678	31.0
292.19992	1.6
293.21228	100.0
294.21533	6.0
305.08917	1.8
305.17603	41.2
306.17740	1.7
307.19159	58.9
308.19440	4.1
309.20728	94.8
310.20911	5.9
323.09750	3.0
323.18488	2.3
379.12491	3.6
397.13480	61.4
398.13739	2.9
415.14575	31.7
416.15027	2.0
607.25940	2.2
619.25934	3.4
633.27954	3.4
645.27618	4.1
663.28094	3.3
685.29919	1.4
687.32220	3.3
689.34406	1.7
691.35730	1.5
703.32214	2.9
705.33472	4.6
707.34766	2.6
895.46606	3.4
899.46313	1.9
909.48694	4.8
921.49048	3.9
939.49738	19.9
940.50494	2.8
948.30939	1.4
979.51831	8.5
980.53162	2.4
997.54089	6.1
1034.77551	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	991.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	0.9
69.69321	2.6
69.69730	0.7
71.01370	1.9
73.02953	0.7
74.38613	0.5
75.00862	1.4
79.01890	0.9
79.90428	0.5
83.01382	3.2
85.02940	1.9
88.98815	0.8
90.98635	0.5
91.01897	0.6
95.01384	3.2
96.96029	0.6
97.02957	0.8
107.01393	9.2
109.02952	8.3
111.00867	1.4
113.02408	0.8
121.02934	1.0
123.00877	11.2
124.01665	1.6
125.02447	45.9
126.02805	0.9
127.03963	0.8
137.02432	16.2
139.00407	2.7
140.01120	1.5
141.01961	0.9
145.02856	0.5
147.04414	0.7
150.03189	0.6
151.00365	30.8
152.01001	0.6
161.02415	1.2
163.00406	2.4
163.03995	0.9
164.01164	0.6
165.01901	2.4
165.28444	0.5
166.99866	4.8
167.03485	0.6
168.00681	3.2
169.01414	52.9
170.01776	1.9
175.03986	0.8
177.01869	2.7
178.99847	22.1
179.10826	0.7
187.04115	0.7
189.01869	0.7
190.99837	1.0
191.03473	0.9
192.00623	1.5
193.01404	2.0
199.03979	0.8
203.03523	0.8
211.76698	0.5
214.02690	1.1
215.03532	0.7
227.03514	1.3
243.02940	1.6
245.04543	0.6
259.02380	1.1
271.02542	4.7
279.05099	2.8
281.06686	2.7
287.01938	2.8
297.06140	2.2
299.01865	0.7
301.03275	0.6
305.06757	0.7
315.01373	1.5
315.04987	0.6
316.02213	8.7
317.02997	100.0
318.03317	6.0
375.07278	0.8
449.07248	27.8
450.07556	2.1
644.49683	0.5
655.13086	1.4
673.13654	0.8
767.10968	7.8
768.10394	1.1
821.16083	0.9
821.30072	1.2
839.32275	0.7
973.16718	19.5
974.17456	3.5
991.43896	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	987.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30147	2.1
70.95600	2.7
70.95926	4.3
71.01387	6.6
75.12878	2.4
83.68747	2.4
85.02997	2.2
89.02469	5.2
101.02439	7.5
101.36128	2.6
125.02454	2.9
158.82648	2.0
161.04575	3.1
179.05591	2.7
180.69067	2.2
195.13882	2.8
198.30548	2.3
223.13506	3.5
275.20126	3.6
277.21667	25.5
293.21228	100.0
294.21689	3.9
379.12369	5.4
397.13446	48.0
397.18491	3.2
398.13779	2.9
415.14587	11.9
673.33838	4.6
675.35870	8.2
691.35565	3.9
713.81134	2.5
948.53705	3.2
954.26642	3.0
987.54822	38.9
988.54919	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	991.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	0.7
70.95587	0.5
71.01371	0.9
71.38290	0.5
81.03453	1.1
83.05009	0.9
85.02953	1.7
87.00887	1.2
90.09502	0.5
93.03456	7.7
94.03782	0.5
97.02960	0.5
107.01389	7.1
109.02898	0.6
111.00883	0.7
111.04516	4.7
123.00880	0.8
124.01704	0.6
125.02441	39.5
126.02731	1.1
127.04000	0.6
137.02441	4.7
139.00354	0.7
143.03410	0.6
155.03493	7.1
168.00642	0.7
169.01418	81.2
170.01749	2.5
173.04532	18.1
175.04033	0.9
177.01950	1.3
191.05595	20.8
201.05557	0.6
217.04886	0.5
219.06584	0.7
245.04556	1.4
264.95615	0.5
325.05643	9.6
326.05911	0.8
343.06683	20.8
344.06958	1.2
374.89331	0.5
477.06934	0.7
495.07776	100.0
496.08057	8.8
537.08356	0.6
817.16937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	4.8
71.01376	48.6
71.52338	1.9
72.99324	4.0
73.02927	9.1
81.03450	3.0
83.01378	5.4
83.05005	3.0
85.02950	15.3
87.00871	10.4
89.02443	34.2
95.01377	4.7
95.05074	2.1
96.95992	2.0
97.02955	9.0
99.00858	4.2
99.04549	2.1
101.01785	3.5
101.02435	38.8
109.06594	3.1
111.04470	2.0
111.08130	5.5
113.02455	20.8
119.03487	12.7
121.02991	2.2
123.04506	2.1
125.02451	15.8
125.09706	5.2
127.07661	3.2
143.03476	7.0
153.09225	17.1
155.10773	2.8
161.04523	7.7
163.11307	3.7
165.12779	2.6
171.10240	34.9
178.10030	2.4
179.05608	12.7
179.10756	2.4
185.11780	3.7
191.10707	2.8
195.13858	8.3
197.11795	10.5
209.11830	48.0
211.13377	5.6
221.06708	2.9
223.13310	3.1
227.12819	3.0
235.08226	9.7
245.19215	2.5
256.13120	2.1
275.20087	4.2
277.21698	100.0
278.22006	6.7
289.18021	12.8
291.19675	49.1
292.20087	3.9
293.21222	55.2
294.21432	4.7
295.22620	3.4
305.08643	3.8
307.19153	81.5
308.19388	5.3
309.20593	4.6
310.36053	1.9
323.10129	2.6
325.20187	73.3
326.20544	3.8
366.61316	2.0
372.85736	2.3
379.12421	7.8
397.13480	99.5
398.13702	4.4
415.14539	28.4
483.39276	1.9
551.32727	2.2
675.36285	2.8
687.31995	7.9
705.33710	11.1
723.34222	2.7
871.23846	2.7
896.48297	4.0
965.54791	28.1
966.55353	4.2
983.54938	11.5
984.54651	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	985.5739
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	1.5
69.22615	2.6
71.01381	14.2
71.04982	0.3
72.99292	0.9
73.00650	0.2
73.02950	1.8
75.00870	0.4
81.03463	0.7
81.85311	0.3
83.01395	1.6
83.05019	0.8
85.02949	6.9
87.00879	3.4
89.02446	11.7
95.01361	1.0
95.04997	0.8
97.02950	2.6
97.06588	2.9
99.00883	0.5
101.01788	0.6
101.02444	10.3
101.50271	0.3
109.02956	0.3
111.04491	0.5
111.08129	0.3
113.01711	0.4
113.02450	5.4
116.61873	0.3
119.03518	3.2
122.86793	0.3
123.08160	0.4
125.02451	4.6
125.09708	0.9
127.11278	1.4
131.03458	0.5
133.05008	0.3
137.02374	0.3
137.09714	1.0
141.01964	0.4
143.03528	1.7
155.10765	1.0
155.14412	0.5
161.04559	2.5
165.12859	0.6
167.03468	0.3
167.14343	0.6
171.10269	12.5
172.10562	0.3
172.63142	0.3
177.12814	0.8
179.05580	3.7
181.12383	0.3
183.13866	2.5
185.11771	0.9
190.81387	0.2
193.12299	0.7
197.11818	1.0
199.13222	0.3
201.11296	0.4
209.11832	1.2
211.13379	14.4
212.13699	0.5
221.06728	1.5
221.11845	2.6
227.12872	0.5
229.14426	10.6
230.14761	0.6
235.08215	3.9
239.12888	1.5
242.36165	0.3
245.06587	0.3
247.20726	0.5
253.09283	0.9
259.20700	0.3
263.07773	0.7
277.21716	26.2
278.22202	1.8
287.07706	0.9
289.65942	0.3
291.19711	4.9
291.23038	0.5
293.21082	1.3
294.21594	0.4
295.22958	1.5
305.08847	1.8
309.20706	9.7
310.21060	0.8
311.22198	1.1
323.09760	0.8
327.21747	100.0
328.22095	6.8
351.21716	0.7
379.12311	0.6
397.13495	38.5
398.13864	3.0
415.14548	16.4
416.14813	0.7
515.86029	0.3
587.43530	2.2
655.78510	0.4
675.36139	1.7
707.35004	4.5
708.36188	0.5
725.36285	3.6
726.36267	0.7
852.21686	0.3
985.56714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03483	1.4
70.95418	1.1
71.01382	16.3
72.99323	1.1
73.02943	1.8
81.03484	0.7
83.01377	1.7
83.05027	0.4
85.02957	3.5
86.00723	0.4
87.00880	3.2
89.02444	14.5
90.02829	0.5
93.03472	0.6
95.01366	1.8
96.95988	0.4
97.02951	2.5
97.06657	0.5
99.00925	1.0
101.02441	11.9
101.03086	0.6
109.06599	0.9
111.00885	0.4
111.08159	8.3
111.08864	0.5
113.02447	7.1
119.03505	3.9
123.08169	0.5
125.02457	5.0
125.09711	0.5
127.07622	0.8
131.03534	0.6
137.02486	0.4
137.09615	0.5
139.04027	0.6
141.09195	0.4
143.03477	2.6
149.04550	0.4
151.11324	0.9
153.12910	0.6
161.04533	3.2
163.11414	0.4
167.10793	0.8
169.01418	0.5
169.12343	4.1
171.10275	0.7
177.12918	0.6
179.05618	4.1
179.10799	0.8
179.14453	1.2
181.12334	1.3
183.13914	1.1
193.12393	0.6
195.13919	8.7
196.14728	0.5
197.11823	43.6
198.12172	2.1
199.13457	2.2
205.12263	0.6
205.15924	0.5
211.13385	7.1
221.06621	1.8
223.13362	5.2
225.14888	0.5
227.12924	1.2
228.13583	0.6
231.21220	0.7
235.08194	3.5
247.20659	0.4
253.09351	1.4
256.13123	1.2
263.07724	0.6
263.20139	3.5
265.18106	0.8
265.21936	0.4
273.18628	1.0
275.20123	5.4
287.07635	0.9
289.18134	0.6
291.19666	14.7
292.20081	2.5
293.21234	100.0
294.21597	7.8
305.08774	1.4
308.19409	0.5
309.20715	92.6
310.21045	7.4
323.09952	1.0
333.20691	0.5
379.12381	1.3
397.13501	31.2
398.13882	2.8
399.14389	0.5
415.14563	22.4
416.14755	1.2
553.83447	0.4
585.41315	3.0
689.33459	2.5
690.34149	0.5
691.35925	2.6
707.35297	2.8
708.35553	0.4
870.38098	0.4
889.42004	0.5
919.49390	0.5
937.48944	0.8
983.54865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	2.9
71.01384	33.6
71.54878	3.5
72.99312	2.3
73.02967	3.8
74.46180	1.9
75.00881	2.2
83.01394	3.4
85.02949	6.5
87.00871	5.4
89.02443	26.0
93.03480	2.1
95.01383	2.0
95.05032	5.0
97.02960	2.8
101.02442	22.2
109.06578	3.4
111.08166	7.6
113.02426	13.3
114.05585	2.4
116.92873	3.8
119.03494	7.9
123.04614	2.0
125.02428	9.8
126.90393	2.0
127.07642	4.7
139.29031	1.9
143.03473	5.0
151.11282	3.7
161.04549	4.6
167.10735	2.6
177.12862	3.7
179.05621	10.3
191.14471	2.3
195.13925	14.1
196.68518	1.8
197.11818	3.1
209.11751	2.5
209.15466	3.2
221.06735	4.8
223.13399	6.5
235.08264	5.6
235.13327	3.8
245.19115	4.9
247.13113	2.3
248.50829	2.2
263.20203	2.6
275.20215	4.4
277.21634	6.7
279.19736	2.7
289.18076	29.1
291.19653	76.8
292.20016	4.9
293.21219	100.0
294.21552	7.0
305.17548	3.5
307.19150	62.9
308.19577	3.3
309.20273	2.4
397.13550	36.6
398.13760	2.5
415.14645	16.6
687.32251	4.8
705.33215	11.1
706.32697	2.3
777.36890	2.4
827.99774	2.3
926.49280	2.7
963.51385	2.8
981.54333	19.1
982.54102	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	982.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84142	12.1
70.84470	6.9
85.03004	5.4
95.01422	9.4
107.01389	10.7
113.02469	5.1
123.00877	18.9
125.02451	85.6
137.02484	9.5
139.00374	6.9
151.00362	14.4
160.43304	5.4
168.00716	6.9
169.01431	100.0
178.99792	10.5
206.76343	5.2
207.02946	9.0
209.76051	6.0
218.08923	5.5
268.07562	5.2
281.90845	6.1
297.05951	7.0
316.02194	11.3
317.03012	20.5
405.57510	5.5
428.91953	5.6
457.73270	5.9
536.63574	5.5
544.78650	6.2
601.08124	17.8
919.11969	89.3
920.12512	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	983.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99582	5.1
69.03465	2.1
71.01389	21.4
71.53192	0.9
71.53556	1.1
72.99310	1.6
73.02951	3.1
81.03477	1.3
83.01405	2.7
83.05044	1.0
85.02973	5.1
87.00873	5.1
89.02453	19.2
95.01423	1.5
96.96008	3.6
97.02975	3.3
97.06625	1.1
99.00880	0.9
101.02446	14.9
102.02771	1.2
111.08144	4.7
112.08505	1.4
112.98554	6.0
113.02435	6.2
113.09764	1.1
116.42097	1.1
119.03471	4.7
121.03028	1.1
122.42563	1.1
123.08089	0.9
123.86608	1.0
125.02457	6.3
131.03534	1.0
140.83644	0.9
141.09183	1.1
141.23201	0.9
143.03528	3.1
145.05121	0.9
155.10756	1.1
157.51964	1.1
160.21529	1.0
161.04564	3.4
165.12810	2.5
167.03586	1.9
167.10736	1.6
167.14432	1.1
169.01421	1.5
169.12286	1.1
171.10281	1.1
177.12837	1.5
179.05617	6.6
181.12352	2.0
193.12425	1.5
195.13887	11.8
196.14452	0.9
197.11800	11.9
209.11852	1.6
211.13365	4.5
212.13620	0.9
216.10835	0.9
221.06622	2.1
221.15439	1.6
223.13458	5.4
235.08289	4.5
247.20663	2.7
263.20190	2.3
273.18542	3.9
275.20160	5.1
277.21738	1.8
279.34097	0.9
281.21442	1.2
287.07858	1.8
289.17722	1.1
291.19678	42.6
292.19986	7.7
293.21246	97.0
294.21591	8.0
307.19135	1.8
308.19461	1.3
309.20721	100.0
310.21051	10.3
311.21625	2.2
327.21167	1.5
379.12445	1.4
397.13513	35.6
398.13763	4.5
399.13892	1.4
415.14511	14.5
416.15021	1.8
427.13385	1.0
446.75198	1.0
606.31268	1.0
689.34412	6.9
690.34424	1.3
691.35156	3.1
695.39661	0.9
707.34943	13.8
708.34760	2.1
920.49408	3.0
983.55896	13.1
984.55475	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	981.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	1.1
70.38734	1.2
70.39084	0.4
71.01385	14.6
71.05020	1.4
72.99297	1.3
73.02933	1.9
80.02663	0.6
81.03459	1.7
83.01382	1.6
83.05037	0.8
85.02959	3.5
87.00877	3.3
89.01921	0.8
89.02444	11.6
95.01397	1.3
95.05022	1.4
96.96023	0.5
97.02968	2.4
97.06586	0.5
98.03761	0.6
98.19945	0.4
99.00889	1.4
101.02444	10.3
106.04273	0.5
109.03011	0.6
109.06594	8.5
111.00925	0.6
111.04520	3.1
111.08139	1.2
113.01707	0.5
113.02450	7.0
119.03502	3.5
123.04503	0.5
123.08165	1.3
125.02460	5.2
127.07676	0.9
131.03514	0.8
135.08144	0.6
137.02441	0.7
137.09702	0.5
139.03957	0.5
141.01874	0.5
143.03496	1.6
143.10777	0.7
145.06581	1.4
149.04541	0.7
149.09715	1.0
151.11281	0.9
159.08121	0.4
161.01262	0.4
161.04588	2.7
167.03500	0.7
167.10725	1.9
169.01395	1.1
171.10202	0.4
177.01854	0.5
179.05591	3.9
179.10733	1.3
179.14418	0.5
181.12267	0.9
195.13899	9.0
196.14378	1.0
205.12230	0.6
205.15977	0.4
211.13428	0.5
221.06601	1.4
223.13361	5.7
224.14000	0.6
225.14828	0.5
228.13579	0.8
235.08226	3.9
235.13216	0.9
245.19095	4.5
251.16476	0.5
253.09254	0.8
256.13156	0.8
263.07700	0.4
271.17023	1.5
273.15146	0.6
275.20154	4.7
287.07626	0.7
287.16504	0.9
289.18094	88.3
290.18442	5.4
291.19656	3.0
293.21228	100.0
294.21564	6.9
297.15277	0.9
305.08817	1.1
307.19073	4.8
309.20670	1.4
317.21048	0.5
323.09827	1.0
331.19202	0.5
349.20715	0.5
379.12314	2.2
397.13513	34.6
398.13757	2.2
415.14600	13.5
416.15118	1.1
565.38763	0.6
669.30701	0.9
673.34070	0.5
687.32245	3.2
691.35571	1.3
761.46619	0.4
849.12134	0.5
887.46973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	1.8
71.01381	18.5
71.05019	0.9
71.10501	2.1
72.99306	2.1
73.02951	1.7
79.18241	0.9
80.02655	0.8
81.03462	1.0
83.01376	2.3
83.05036	2.5
85.02948	5.2
87.00880	5.0
89.02448	15.6
93.03452	1.3
95.05018	1.0
96.96007	5.1
97.02947	3.3
97.06598	4.7
101.02430	11.7
109.02947	1.5
109.06576	1.8
111.08166	2.2
111.57458	1.0
113.02451	8.3
119.03493	4.7
123.04507	1.1
123.08147	0.9
125.02445	6.2
125.09700	0.9
127.15086	0.9
131.03542	1.2
139.51465	0.9
143.03502	2.4
151.11281	3.4
155.10811	1.2
161.04533	3.2
163.11330	1.6
165.12834	6.5
169.12323	1.6
179.05589	2.7
179.10811	2.7
181.12332	3.6
183.13884	2.6
191.10800	1.9
191.14404	1.4
195.13881	9.8
197.11841	1.2
205.12253	1.4
209.11806	13.7
210.78194	0.9
210.83521	0.9
211.13354	2.4
216.36826	1.0
221.06645	2.8
223.13394	5.5
227.12927	8.6
235.08212	3.7
245.19019	5.5
256.13223	1.5
263.07602	1.3
263.20114	5.7
275.20111	4.5
279.19699	1.1
289.18063	11.3
291.19748	5.2
293.21234	100.0
294.21603	8.3
307.19156	36.9
308.19418	2.4
309.20670	3.1
345.44315	0.9
397.13480	25.2
398.13837	1.8
415.14514	9.3
589.24890	2.0
607.26154	7.7
687.31891	2.7
705.33289	5.9
883.47058	10.8
884.47412	2.6
981.53833	7.3
982.53711	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	2.9
71.01384	33.6
71.54878	3.5
72.99312	2.3
73.02967	3.8
74.46180	1.9
75.00881	2.2
83.01394	3.4
85.02949	6.5
87.00871	5.4
89.02443	26.0
93.03480	2.1
95.01383	2.0
95.05032	5.0
97.02960	2.8
101.02442	22.2
109.06578	3.4
111.08166	7.6
113.02426	13.3
114.05585	2.4
116.92873	3.8
119.03494	7.9
123.04614	2.0
125.02428	9.8
126.90393	2.0
127.07642	4.7
139.29031	1.9
143.03473	5.0
151.11282	3.7
161.04549	4.6
167.10735	2.6
177.12862	3.7
179.05621	10.3
191.14471	2.3
195.13925	14.1
196.68518	1.8
197.11818	3.1
209.11751	2.5
209.15466	3.2
221.06735	4.8
223.13399	6.5
235.08264	5.6
235.13327	3.8
245.19115	4.9
247.13113	2.3
248.50829	2.2
263.20203	2.6
275.20215	4.4
277.21634	6.7
279.19736	2.7
289.18076	29.1
291.19653	76.8
292.20016	4.9
293.21219	100.0
294.21552	7.0
305.17548	3.5
307.19150	62.9
308.19577	3.3
309.20273	2.4
397.13550	36.6
398.13760	2.5
415.14645	16.6
687.32251	4.8
705.33215	11.1
706.32697	2.3
777.36890	2.4
827.99774	2.3
926.49280	2.7
963.51385	2.8
981.54333	19.1
982.54102	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	981.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	37.2
71.05030	2.9
72.99309	3.6
73.02966	6.7
81.03455	2.6
83.01402	5.2
83.05035	2.2
85.02951	14.7
87.00870	9.7
89.02443	28.5
93.03434	1.9
95.01392	1.7
95.05005	2.5
96.81220	1.7
97.02954	5.1
98.19826	4.3
99.00870	2.7
101.02441	25.0
106.04234	3.8
107.05037	3.1
109.06589	9.7
113.02444	13.4
116.92858	8.1
119.03519	8.3
124.19685	1.6
125.02448	11.0
135.08208	2.3
143.03487	4.4
161.04547	7.9
167.03432	2.0
177.12834	7.2
179.05615	9.7
191.14384	3.9
195.13884	26.3
203.10800	7.3
203.14384	5.9
207.13960	3.3
209.11830	1.6
209.15523	2.2
214.58017	2.0
221.06654	4.2
221.11784	4.8
221.15431	5.8
229.12250	5.6
230.01706	2.0
235.08292	8.0
235.13373	16.6
237.14926	13.5
243.17534	2.0
247.13390	31.6
253.14447	4.0
261.18619	11.4
265.14511	14.9
277.21698	100.0
278.22067	4.7
279.19635	7.6
287.07706	2.2
287.16531	10.9
305.08835	2.9
305.17578	67.2
306.17804	2.5
323.18582	4.4
367.87082	1.9
379.12460	7.4
384.75446	1.8
397.13550	42.3
398.13907	3.6
415.14499	10.3
615.26239	4.3
619.26300	3.0
633.27673	9.2
645.27417	8.2
663.28650	4.1
683.79211	2.0
685.30707	3.9
703.31854	6.2
879.46631	3.6
893.48602	5.7
905.48315	3.0
923.49860	20.3
924.49701	3.2
963.52942	9.9
964.53516	2.2
981.54669	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	973.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	35.4
71.51226	2.1
72.99301	4.8
73.02945	5.5
78.95934	10.1
81.03472	2.0
83.01390	3.4
83.58353	1.9
85.02943	6.6
87.00883	8.2
89.02447	25.4
92.92783	2.6
95.01364	4.9
97.02964	5.2
101.02450	17.4
113.02454	12.9
119.03475	5.0
125.02460	12.1
135.44609	2.1
143.03514	4.6
146.96645	2.4
152.99571	2.7
161.04553	5.2
177.90331	1.9
179.05571	4.8
235.08267	6.4
241.01126	3.9
255.23289	100.0
256.23489	5.4
277.21722	86.6
278.22028	5.0
287.07629	3.6
305.08881	3.2
320.20316	2.4
355.11743	2.0
379.12518	17.5
397.13519	49.2
415.14511	11.6
549.75311	2.1
635.36346	2.4
653.37616	3.8
831.50421	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	976.5846
Annotation	Unknow
Peak:m/z	Relative Intensity
70.75924	100.0
81.31546	47.8
84.42173	39.7
122.76925	47.2
196.55942	42.2
397.13162	50.6
480.87167	57.0
589.73187	45.1
828.71930	50.9
939.69373	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.6049
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.3
70.19134	3.8
71.01382	13.0
71.89850	0.9
73.02942	2.3
75.00919	0.9
81.03446	0.9
83.01383	2.1
84.02170	1.4
85.02959	3.2
87.00871	3.0
89.02448	12.2
96.47808	1.0
97.02944	2.3
97.06593	5.1
101.02439	9.5
105.15879	0.9
113.02489	5.3
113.03125	1.0
116.92870	1.9
119.03482	2.8
121.06657	0.8
125.02451	4.6
143.03516	2.0
159.57224	1.0
161.04533	1.9
163.09579	1.0
165.12807	1.1
171.10258	8.1
179.05582	2.0
192.62404	0.9
193.12354	6.4
203.68811	1.0
211.13527	1.9
225.14970	11.7
227.14601	0.8
235.08250	2.7
243.16019	6.0
255.23286	30.8
256.23453	1.5
261.65897	0.9
287.07629	0.9
291.19608	1.3
323.22345	1.4
341.23288	100.0
342.23621	6.3
379.12552	1.6
397.13489	37.0
398.13705	2.2
407.36990	1.2
415.14517	9.7
579.45953	1.9
622.13568	0.9
628.09454	0.9
653.37183	3.6
721.36578	2.5
739.37152	1.7
823.01587	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5946
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	0.9
69.05980	0.4
71.01379	14.9
72.99298	1.5
73.02934	2.8
81.03461	0.9
83.01385	2.0
85.02943	3.7
86.38676	0.4
87.00871	4.1
88.98820	0.4
89.02439	14.3
92.44805	0.5
95.01373	1.2
95.05045	0.5
96.96004	0.6
97.02934	3.3
99.00875	0.9
101.02439	12.1
109.02951	0.5
113.02442	5.9
114.93402	0.6
116.92867	3.3
119.03471	4.2
121.02925	0.5
123.04463	0.4
125.02445	9.8
133.05040	0.6
137.02457	0.6
139.03995	0.5
142.02715	0.5
143.03467	2.3
149.04504	0.4
161.04523	2.9
167.03545	1.0
169.01390	2.8
171.03070	0.4
177.01903	1.4
179.05605	2.9
179.14253	0.6
195.13899	6.7
196.14514	0.5
205.12302	1.2
205.15961	0.5
206.13046	0.4
213.76001	0.4
217.07256	0.5
221.06628	1.2
223.13393	5.5
228.13573	0.8
235.08217	8.0
235.10408	0.8
250.73125	0.5
253.09303	1.6
256.13187	1.5
263.07651	0.7
266.07693	0.4
275.20126	4.2
277.09409	0.5
279.23270	48.3
280.23572	2.8
287.07813	2.6
291.19379	0.4
293.21210	100.0
294.21457	5.2
294.24249	0.6
305.08817	3.6
323.09680	0.7
379.12222	0.7
397.13464	72.2
398.13812	3.9
415.14536	22.7
416.14780	1.8
677.37433	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	971.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	5.4
71.53938	1.2
75.00867	0.8
78.42052	0.7
85.02949	2.8
89.29987	0.9
92.18301	0.9
96.96001	4.3
103.00415	1.6
107.01398	1.1
113.02466	3.7
121.03022	0.8
124.01675	2.8
125.02438	2.4
137.02409	1.3
151.00363	6.9
152.01131	1.1
163.00365	1.1
164.01143	1.8
165.01912	1.1
169.01448	3.1
175.02461	3.3
178.99889	5.0
214.02730	3.8
232.03836	0.9
242.02252	3.1
243.02979	2.1
259.02478	3.7
270.01715	4.2
271.02438	25.5
272.02933	1.6
287.01987	13.5
288.02542	1.9
316.02231	100.0
317.02808	9.7
331.04572	66.9
332.04907	4.3
439.10556	3.7
463.08823	35.0
464.09415	2.6
488.86972	1.2
506.19846	1.1
507.07791	57.1
508.08240	6.2
810.10297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
67.65648	19.0
71.52801	20.6
82.39848	19.1
86.95859	20.1
91.56051	18.6
104.10828	20.5
104.43031	18.6
187.57455	20.8
207.21085	24.9
228.99364	20.4
277.21719	100.0
286.54279	19.7
323.93726	25.2
351.74496	20.1
354.66473	23.4
397.13428	48.1
411.85794	22.8
439.82385	21.6
658.31378	27.7
710.84497	25.7
871.11121	22.4
971.54639	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5631
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	2.1
70.94795	0.9
71.01382	22.5
72.48623	0.3
72.99317	2.1
73.02948	3.7
81.03449	1.3
82.40918	0.3
83.01374	2.7
83.05050	0.9
83.89179	0.3
85.02946	5.9
86.00131	0.3
86.03304	0.5
86.16059	0.3
87.00884	5.2
89.02447	19.6
93.03461	0.6
95.01386	2.0
95.05058	0.5
97.02954	3.3
97.06625	0.4
99.00870	1.4
99.04543	0.3
101.02446	16.6
109.02957	0.7
109.06603	0.6
111.04532	0.7
111.08160	7.7
113.01707	0.7
113.02451	9.4
119.03514	5.0
119.29241	0.4
120.52534	0.3
125.02460	6.3
126.02845	0.5
127.07645	0.9
129.01961	0.5
131.03468	1.0
133.05060	0.7
137.09755	0.4
139.03970	0.8
140.94487	0.4
141.01912	0.5
143.03508	3.2
151.11226	0.8
153.09221	0.4
153.12856	1.0
153.20071	0.3
157.57591	0.4
161.04546	4.3
165.12801	0.5
167.03397	0.4
167.10817	0.4
169.12320	4.0
179.05589	4.9
179.10793	0.5
181.12352	1.1
183.13792	0.9
193.12305	0.5
197.11829	49.1
198.12181	2.3
199.06108	0.5
199.13380	2.9
211.13383	6.7
212.13631	0.5
214.83665	0.3
217.07178	0.8
221.06610	2.0
221.11807	0.4
227.12894	1.2
235.08232	6.1
239.12785	0.6
247.20540	0.6
253.09312	1.4
255.23347	0.6
263.07693	1.0
263.20206	3.5
264.20566	0.4
265.18085	1.4
273.18625	1.1
277.21716	54.6
278.22052	4.3
279.23172	0.6
287.07870	1.9
289.18063	2.4
290.18549	0.7
291.19666	17.3
291.22931	1.0
292.20111	0.9
305.08789	1.7
307.18958	1.0
308.19543	0.7
309.20715	100.0
310.21021	6.8
323.09845	1.4
324.78708	0.4
379.12354	2.9
397.13513	60.9
398.13852	4.3
415.14554	18.6
416.14679	0.8
440.85614	0.3
569.42670	0.4
593.64557	0.4
606.40582	0.4
657.34711	0.4
675.36261	1.9
689.23157	0.5
689.33307	1.7
707.34656	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.194
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34939	0.8
69.35366	1.2
69.62701	0.2
83.01392	0.3
86.82030	0.2
89.72502	0.2
93.03472	0.7
98.19849	0.5
107.01423	1.4
109.02965	0.3
111.04508	0.5
112.93494	0.2
119.04999	1.4
122.74245	0.3
123.00896	0.3
124.01644	1.3
125.02452	5.4
135.00909	0.4
137.02460	1.5
145.02980	0.3
151.00365	3.9
152.01100	0.8
155.03494	1.7
163.00418	0.6
163.04010	2.7
164.01178	1.2
165.01901	0.4
169.01421	8.3
170.01756	0.3
173.04601	1.7
178.99892	3.6
191.05602	0.8
192.00716	0.3
199.04141	0.3
203.03627	0.4
204.04276	0.3
214.02707	3.8
215.03336	0.3
227.03439	0.4
232.03682	0.5
242.02199	3.3
243.02966	1.9
244.03748	0.3
259.02509	3.2
260.02960	0.4
270.01682	4.7
271.02469	24.5
272.02817	1.2
287.01965	14.5
288.02469	1.7
315.01682	0.4
316.02225	75.8
317.02869	13.7
318.03442	0.6
325.05502	1.3
337.09409	0.5
343.06699	0.9
479.08301	100.0
480.08636	8.1
489.10400	7.3
490.10782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	0.4
68.99805	0.5
69.03456	2.4
71.01381	23.3
72.01701	0.3
72.99306	2.0
73.02946	3.3
75.00871	0.4
81.03453	1.3
83.01382	3.0
83.05014	0.7
84.02155	0.3
85.02949	6.4
87.00877	5.1
89.02442	21.3
91.04013	0.3
93.03428	0.4
95.01393	2.0
95.05030	0.4
97.02948	6.3
97.06578	0.5
99.00851	1.5
99.04498	0.4
101.02443	18.1
107.17687	0.3
109.02963	0.7
109.06569	0.6
111.00873	0.6
111.04509	0.8
111.08158	9.6
113.02449	11.1
114.02804	0.3
119.03504	5.8
121.02916	0.5
123.00900	0.4
123.04528	0.4
125.02445	7.7
125.06120	0.3
125.09725	0.8
127.03977	0.4
127.07632	0.7
131.03502	1.1
133.05026	0.5
137.09660	0.7
139.03995	0.8
141.01953	0.9
141.09242	0.5
143.03508	3.7
149.04565	0.6
149.09715	0.3
151.11330	0.5
153.09216	0.5
153.12845	1.4
161.04546	5.1
162.04919	0.3
163.11292	1.0
165.12845	1.9
167.03452	0.6
167.10739	0.4
167.14345	0.3
169.12340	5.1
171.10252	1.8
179.05602	6.3
179.10736	0.6
181.12431	1.3
183.13861	1.0
185.04608	0.4
185.11893	0.4
191.14394	0.3
193.12292	0.8
193.15932	0.5
197.11823	50.3
198.12154	1.7
199.06078	0.4
199.13409	2.8
203.05647	0.4
209.11819	1.3
211.13382	7.5
212.13730	0.3
217.07178	0.4
221.06619	2.7
223.13544	0.4
227.12878	2.3
229.19505	0.4
233.22678	0.4
235.08228	8.0
245.06718	0.4
245.19090	0.3
247.20593	2.0
253.09264	1.3
259.08337	0.4
263.07794	0.8
263.20230	2.5
265.18073	1.6
273.18521	1.2
275.20050	0.5
277.21704	61.0
278.22076	4.1
287.07742	2.7
289.18082	0.8
291.19653	30.6
292.19873	1.9
305.08762	2.5
307.19070	0.4
308.19382	0.6
309.20694	100.0
310.21024	6.7
323.09909	1.3
333.20758	0.8
379.12411	4.5
379.16895	0.6
380.12842	0.3
397.13477	48.9
398.13760	3.1
415.14548	18.8
416.14902	1.2
569.41919	0.6
595.26428	0.5
671.32367	0.4
675.36340	1.0
689.33533	1.8
707.34705	2.0
919.06061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.563
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	2.0
71.01381	22.2
71.20871	0.8
72.99294	1.7
73.02939	3.2
81.03455	1.0
83.01382	2.3
85.02947	6.0
87.00876	6.3
89.02444	20.6
92.07986	0.5
95.01390	1.6
97.02943	4.0
99.00878	1.4
101.02444	16.4
109.06605	0.7
111.00903	0.6
111.04523	0.8
111.08162	10.5
112.08500	0.5
113.02441	11.3
113.33766	0.5
119.03507	5.2
121.02906	0.6
125.02451	7.3
127.07672	0.8
131.03502	1.0
139.04013	0.9
143.03499	3.3
145.05077	0.7
149.04504	1.1
151.11244	0.6
151.83751	0.5
153.12834	1.5
161.04550	4.2
165.12869	0.5
167.03488	0.5
167.10803	0.7
169.12341	5.4
179.05602	5.8
179.10846	0.7
180.05879	0.5
181.12328	1.4
183.13879	0.8
193.12221	0.6
194.76620	0.4
197.11824	58.0
198.12177	1.8
199.13387	3.1
209.11841	0.8
211.13394	6.6
217.07112	0.9
219.05284	0.6
221.06662	1.7
225.14920	0.6
227.12903	2.1
235.08224	8.2
247.20659	0.6
253.09254	1.3
263.20181	3.4
265.18146	1.5
273.18753	1.1
277.21716	56.4
278.22070	3.9
287.07642	2.4
289.17905	0.7
291.19656	19.1
291.23004	1.0
292.19986	1.2
294.40048	0.5
305.08716	2.5
307.19077	1.5
309.20703	100.0
310.21036	7.6
323.09921	1.5
333.20782	0.7
352.84882	0.5
379.12424	4.2
397.13486	50.7
398.13794	2.5
415.14557	17.8
416.14719	0.8
613.96167	0.5
675.36346	1.7
689.33978	2.3
707.34943	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	967.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	0.3
68.99792	0.3
69.03454	2.8
71.01381	20.4
71.05009	0.3
72.99313	1.6
73.02940	3.4
75.00874	0.6
80.02684	0.4
81.03460	1.4
83.01385	2.5
83.04997	1.0
85.02953	5.2
87.00873	4.4
89.02442	18.8
91.04018	0.5
93.03451	0.5
95.01376	1.7
95.05002	0.7
96.01754	0.3
97.02335	0.5
97.02947	8.9
97.06585	0.7
99.00858	1.0
99.04534	0.4
101.02441	14.7
106.04214	0.4
109.02905	0.5
109.06593	0.8
111.04510	0.7
111.08161	2.5
113.02451	8.5
113.03244	0.5
113.06046	0.3
115.04036	0.5
119.03500	5.3
119.05241	0.3
119.08660	0.2
121.10326	0.3
123.04523	0.5
123.08174	0.3
125.02452	6.3
125.09673	1.3
127.07640	0.3
129.63051	0.3
131.03519	0.7
133.05040	0.4
135.08153	0.3
137.02383	0.3
137.09729	1.7
139.03981	0.7
141.01958	0.4
141.12842	0.3
143.03488	3.0
149.04524	0.5
150.10437	0.3
153.12782	0.3
159.33983	0.2
161.04529	4.0
163.11285	1.3
165.09256	0.3
165.12839	3.6
166.09917	0.3
167.03470	0.5
167.10776	0.4
167.14371	0.3
169.12323	0.7
171.10265	4.2
177.12930	0.6
179.05602	5.4
179.14452	0.7
181.12326	1.1
183.13872	1.0
185.11794	0.5
188.83031	0.2
191.14450	0.3
193.12387	1.4
193.15939	1.0
195.13855	1.0
197.11823	8.9
199.06104	0.3
199.13399	0.5
203.05620	0.3
207.10217	0.4
209.11859	1.8
211.13408	3.4
217.07152	0.6
217.15874	0.3
221.06616	2.3
221.11789	0.5
221.15465	0.5
223.13385	1.1
227.12909	2.2
235.08234	6.2
236.08348	0.3
239.16562	0.3
245.06607	0.5
247.20671	3.2
253.09328	1.2
259.08179	0.4
259.20612	0.3
263.07690	0.6
263.20123	1.1
273.18527	1.7
275.20300	0.2
277.21704	54.7
278.22076	3.6
287.07739	2.0
289.18134	0.4
291.19656	39.3
292.19980	1.8
305.08875	1.8
307.19229	0.4
308.19644	0.3
309.20703	100.0
310.21036	6.2
323.09854	1.4
333.20721	0.8
352.67834	0.2
361.11658	0.4
379.12357	4.1
397.13492	45.5
398.13898	2.5
415.14572	13.8
416.14789	0.7
491.97293	0.3
569.42706	0.5
671.33374	0.3
675.36261	1.1
689.33441	1.2
690.34808	0.3
707.34717	1.6
824.47852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	1.4
71.01379	26.7
72.99311	1.4
73.02934	4.0
81.03441	1.5
83.01395	3.6
83.05032	1.8
85.02959	4.7
87.00872	7.0
89.02444	21.5
95.01392	1.7
95.05044	1.0
97.02935	4.8
97.03491	0.8
99.00907	1.0
101.02442	19.9
109.81668	0.9
110.78235	0.8
111.00917	1.0
111.08154	7.9
113.02451	9.6
117.11024	0.9
119.03499	7.4
125.02449	7.7
131.03487	1.6
141.01952	0.9
143.03537	3.9
145.05043	1.2
149.04506	0.9
150.97766	0.8
161.04536	5.1
167.10735	2.0
177.12746	2.1
179.05568	7.1
179.10724	1.3
181.98634	1.0
195.13889	6.2
197.11765	1.9
221.06682	1.8
229.64032	0.9
235.08191	6.1
245.06645	1.0
247.20702	2.1
252.71832	0.8
273.18729	1.2
275.20291	1.3
277.09644	0.8
277.21704	60.2
278.22021	3.5
287.07660	1.1
291.19653	100.0
292.19980	6.9
305.08649	1.0
306.09143	0.9
309.20776	2.4
349.11188	0.9
379.12347	3.1
397.13495	32.5
398.13821	1.6
415.14627	12.0
416.14685	0.9
781.73981	0.9
820.23114	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5633
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.6
70.95600	0.3
70.95922	0.3
71.01381	7.4
71.01772	0.4
72.99294	0.6
73.02944	1.1
76.36869	0.2
79.29306	0.2
81.03474	0.3
83.01379	0.8
85.02961	1.3
87.00866	1.8
89.02444	6.2
95.01381	0.8
97.02937	1.0
99.00867	0.6
101.02446	5.1
111.08159	0.6
113.02448	2.9
113.09741	0.4
119.03511	1.5
125.02454	1.9
131.03551	0.4
140.91483	0.3
141.01965	0.3
143.03494	1.0
161.04483	1.1
167.10701	0.2
179.05627	2.1
179.14407	0.8
195.13892	7.7
196.14345	0.9
205.12192	0.6
205.15897	0.3
211.13466	0.6
221.06657	0.7
223.13396	5.3
224.13733	0.6
225.14824	0.3
228.13618	0.6
231.21053	0.3
235.08232	1.9
253.09230	0.8
256.13141	1.5
265.21848	0.3
275.20145	5.0
276.20551	0.6
287.07599	0.4
291.19675	2.1
292.19977	1.4
293.21216	100.0
294.21555	7.8
295.21796	0.7
305.08832	0.8
323.09808	0.6
344.22391	0.3
379.12457	0.9
397.13507	15.4
398.13620	1.4
415.14545	9.7
416.14883	0.9
569.42102	1.5
673.34430	0.8
691.35339	2.1
692.35419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01898	2.3
69.37846	16.0
71.01365	3.6
83.01395	1.8
85.02949	5.0
95.01385	4.8
97.02995	3.0
98.19949	5.1
107.01393	10.6
109.02947	2.2
109.96413	2.2
112.45718	2.2
123.00887	21.2
125.02446	82.2
127.04007	6.4
134.55183	2.1
137.02501	3.5
139.00337	5.6
140.01140	3.5
151.00346	8.7
162.03203	3.0
166.99823	9.8
167.03471	2.7
168.00627	4.3
169.01424	100.0
170.01834	2.9
175.03845	2.6
177.01874	4.6
178.99835	3.4
193.01382	2.7
206.02061	2.8
207.02957	9.1
217.05045	2.5
255.02841	2.2
271.02460	3.2
279.05090	10.4
297.06076	5.3
300.02811	3.1
301.03568	7.0
360.79425	2.1
449.07004	4.7
601.08435	27.6
903.12646	57.2
904.13110	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	967.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.7
71.01381	17.2
71.53186	0.6
72.99316	1.7
73.02941	2.4
75.00859	0.7
76.40553	0.4
77.39542	0.4
81.03462	0.8
83.01386	1.9
83.05036	1.5
85.02951	5.5
87.00880	3.7
89.02445	15.1
93.03477	0.5
95.01380	1.5
97.02951	7.4
97.06594	0.9
99.00912	0.9
101.02445	12.3
102.66972	0.4
109.02918	0.7
109.94655	0.4
111.00881	0.5
111.08165	2.5
113.02455	7.8
116.92822	1.2
119.03499	4.6
119.04926	0.5
119.08681	0.5
125.02436	6.6
125.06122	0.4
125.09730	1.6
131.03474	1.1
133.05090	0.5
137.09723	2.1
143.03473	3.5
149.04585	0.7
161.04559	3.6
163.11278	1.1
165.12827	3.5
168.46355	0.5
169.12386	0.8
171.10284	6.3
179.05586	4.3
180.05931	0.5
181.12315	1.0
182.25432	0.5
183.13843	1.1
185.11835	0.7
191.14510	0.6
193.12331	1.8
193.15935	0.6
197.11818	8.5
199.13350	0.7
209.11841	1.3
211.13397	5.4
217.07373	0.6
221.06602	1.8
227.12892	2.3
235.08232	5.5
239.12778	0.6
247.20540	3.0
250.15332	0.6
253.09210	1.1
255.23293	1.4
263.20108	0.7
273.18561	1.0
277.21710	45.3
278.22021	3.2
287.07718	1.9
291.19653	32.0
292.20084	2.3
293.21167	0.7
305.08762	2.9
309.20706	100.0
310.21069	6.5
323.09692	1.0
327.21674	0.8
328.22495	0.9
351.21793	1.1
379.12424	4.5
397.13486	33.3
398.13837	2.1
415.14603	12.3
483.27576	1.1
671.33514	0.6
689.34119	1.8
707.34674	2.2
811.05804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99872	0.4
69.03475	1.9
69.22459	0.7
69.22850	3.3
70.87688	0.4
71.01385	20.2
71.05064	1.1
72.99355	1.6
73.02959	2.9
75.00928	0.3
81.03461	2.0
82.95477	0.6
83.01398	2.6
83.05070	1.1
85.02952	5.0
87.00882	5.2
89.02449	18.0
93.03477	0.4
95.01424	1.7
95.05067	1.5
97.02965	3.1
97.06645	0.7
99.00891	1.8
101.02448	14.5
106.04283	0.7
108.76971	0.3
109.03032	0.5
109.06597	7.0
109.07246	0.5
111.00903	0.3
111.04506	3.0
111.08215	1.2
113.02452	8.0
119.03507	5.4
122.40000	0.3
123.04515	0.5
123.08213	1.2
125.02451	6.8
127.07682	1.3
131.03545	0.6
137.06102	0.5
137.09776	0.7
139.04034	0.8
141.01941	0.9
143.03505	2.7
143.10802	0.6
143.15814	0.4
145.05209	0.5
145.06633	1.5
149.04544	0.8
149.06152	0.4
149.09743	1.2
151.11339	0.7
161.04584	3.6
167.03516	0.4
167.10786	1.5
171.10271	0.5
179.05589	5.6
179.06976	0.5
179.10797	1.0
181.12354	0.6
185.04468	0.4
191.14430	0.4
195.13927	1.4
203.05586	0.4
215.14436	0.4
217.07095	0.8
221.06679	2.3
234.35146	0.4
235.08238	5.7
235.13377	0.5
245.06458	0.4
245.19099	4.5
251.16460	0.5
253.09308	0.5
263.07809	0.6
271.17139	0.9
273.14905	0.4
275.20355	0.5
277.21729	59.6
278.22064	4.4
287.07684	1.3
287.16614	1.7
289.18094	100.0
290.18439	6.8
291.19516	1.0
293.21317	0.7
305.08768	2.0
307.19128	5.3
309.21072	0.8
323.09836	1.4
327.21487	0.9
328.22244	1.1
331.19168	0.7
361.11377	0.7
379.12415	5.4
397.13507	45.3
398.14011	2.8
415.14560	11.6
416.15103	0.8
464.97061	0.4
509.27536	0.4
589.31195	0.4
669.31079	1.2
675.35028	0.5
687.32062	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	965.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99872	0.4
69.03475	1.9
69.22459	0.7
69.22850	3.3
70.87688	0.4
71.01385	20.2
71.05064	1.1
72.99355	1.6
73.02959	2.9
75.00928	0.3
81.03461	2.0
82.95477	0.6
83.01398	2.6
83.05070	1.1
85.02952	5.0
87.00882	5.2
89.02449	18.0
93.03477	0.4
95.01424	1.7
95.05067	1.5
97.02965	3.1
97.06645	0.7
99.00891	1.8
101.02448	14.5
106.04283	0.7
108.76971	0.3
109.03032	0.5
109.06597	7.0
109.07246	0.5
111.00903	0.3
111.04506	3.0
111.08215	1.2
113.02452	8.0
119.03507	5.4
122.40000	0.3
123.04515	0.5
123.08213	1.2
125.02451	6.8
127.07682	1.3
131.03545	0.6
137.06102	0.5
137.09776	0.7
139.04034	0.8
141.01941	0.9
143.03505	2.7
143.10802	0.6
143.15814	0.4
145.05209	0.5
145.06633	1.5
149.04544	0.8
149.06152	0.4
149.09743	1.2
151.11339	0.7
161.04584	3.6
167.03516	0.4
167.10786	1.5
171.10271	0.5
179.05589	5.6
179.06976	0.5
179.10797	1.0
181.12354	0.6
185.04468	0.4
191.14430	0.4
195.13927	1.4
203.05586	0.4
215.14436	0.4
217.07095	0.8
221.06679	2.3
234.35146	0.4
235.08238	5.7
235.13377	0.5
245.06458	0.4
245.19099	4.5
251.16460	0.5
253.09308	0.5
263.07809	0.6
271.17139	0.9
273.14905	0.4
275.20355	0.5
277.21729	59.6
278.22064	4.4
287.07684	1.3
287.16614	1.7
289.18094	100.0
290.18439	6.8
291.19516	1.0
293.21317	0.7
305.08768	2.0
307.19128	5.3
309.21072	0.8
323.09836	1.4
327.21487	0.9
328.22244	1.1
331.19168	0.7
361.11377	0.7
379.12415	5.4
397.13507	45.3
398.14011	2.8
415.14560	11.6
416.15103	0.8
464.97061	0.4
509.27536	0.4
589.31195	0.4
669.31079	1.2
675.35028	0.5
687.32062	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	965.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	4.2
71.01382	34.6
71.51988	1.6
72.99295	3.5
73.02953	4.2
74.68555	0.9
81.03445	3.6
82.40357	0.9
83.01388	5.1
83.05000	1.3
85.02950	8.5
87.00878	8.3
88.02319	0.8
89.02445	31.2
93.03474	1.2
95.01375	2.8
95.05017	1.3
97.02964	7.4
97.06602	4.2
99.00885	1.7
101.02447	21.4
109.02963	1.0
111.04506	1.8
112.80215	0.9
113.02453	14.1
119.03507	7.1
121.03004	0.9
121.06557	1.5
123.04535	3.1
123.08116	1.0
125.02463	10.3
125.09700	4.4
131.03464	1.1
135.08142	1.5
137.09692	3.3
139.03952	0.9
141.01956	1.3
143.03470	5.1
145.05048	0.9
149.06093	1.1
161.04584	7.3
163.07610	1.0
163.11319	6.6
165.12820	1.6
175.11333	1.3
177.12785	1.4
179.05612	7.2
183.13834	1.0
185.11798	5.1
191.14420	6.5
191.41002	1.0
207.10213	3.4
209.11824	13.4
211.13359	2.0
217.07181	1.2
221.06691	2.4
225.11240	2.4
227.12874	1.9
235.08249	10.0
237.11287	6.0
245.06657	1.4
245.19080	15.1
253.09296	1.4
259.21024	0.9
263.07693	1.7
263.20132	3.7
271.17081	1.6
277.21725	100.0
278.21982	6.1
287.07703	2.5
289.18094	80.9
290.18396	4.8
291.23251	1.2
305.08685	2.4
307.19147	81.1
308.19556	5.2
323.09787	2.2
357.04843	1.0
369.34152	1.0
379.12503	7.1
397.13498	65.6
398.13965	4.2
415.14572	18.1
475.47708	0.9
675.35870	1.1
687.31854	3.0
705.32660	1.5
965.53418	4.5
966.54547	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	965.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	0.9
70.73035	0.5
71.01383	14.0
72.99315	0.9
73.02953	1.5
74.22475	0.5
83.01360	1.1
83.05045	0.8
85.02950	3.4
87.00897	3.2
89.02444	13.2
93.03455	0.6
95.01389	1.5
95.05022	0.9
97.02942	2.1
99.00913	0.8
101.02449	9.7
105.01868	0.5
106.14021	0.6
109.02924	0.8
109.41613	0.5
111.08158	7.1
113.02453	6.5
113.09743	0.6
119.03517	3.5
122.67819	0.5
124.01654	0.6
125.02444	4.6
126.90405	0.9
143.03470	2.4
154.52614	0.5
161.04581	3.1
167.03424	0.8
167.10748	2.3
176.03265	0.5
177.12836	1.8
179.05618	4.7
179.10785	1.7
179.14461	0.7
195.13885	12.2
203.14430	0.5
205.12326	0.6
209.86108	0.6
211.13255	0.6
213.91104	0.5
221.06686	1.4
223.13405	4.0
225.14989	0.9
229.07329	0.5
235.08232	3.6
238.29616	0.5
247.20552	1.9
253.09380	0.9
256.13019	1.2
273.18683	1.0
275.20084	3.7
277.21802	1.4
279.23279	8.0
280.23755	0.6
287.07870	1.1
289.18127	1.3
291.19656	80.4
292.19992	5.6
293.21219	100.0
294.21564	5.7
294.30334	0.6
305.09103	1.1
307.19025	1.5
323.09830	1.0
379.12448	2.4
397.13489	33.0
398.14078	2.5
415.14554	12.9
416.14996	1.1
447.25031	3.9
567.40753	0.8
671.32996	3.4
672.32648	0.7
673.34381	1.3
689.33899	8.3
690.34125	1.1
691.35645	2.1
896.47107	1.0
941.96429	0.7
965.55133	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	963.5894
Annotation	Unknow
Peak:m/z	Relative Intensity
67.22301	0.4
68.34755	0.4
69.03458	1.8
69.46003	0.4
71.01382	16.1
72.99303	1.6
73.02946	2.8
78.95927	0.5
81.03451	0.8
81.30511	0.5
83.01385	1.9
84.40630	0.5
85.02951	9.9
87.00874	4.4
89.02449	15.3
93.03468	0.6
95.01391	1.3
95.05015	0.5
97.02959	4.1
97.06598	2.3
98.19843	0.8
99.00874	1.1
101.02445	13.6
109.02938	0.4
111.04548	0.7
113.02448	6.2
119.03506	3.8
121.02935	0.6
125.02455	5.0
125.09724	0.9
127.11282	1.4
133.05095	0.5
137.09724	1.7
141.01761	1.0
143.03476	2.5
155.10794	0.7
161.04613	2.9
165.12831	0.6
171.10265	17.2
172.10698	0.7
177.12987	0.7
179.05635	2.7
183.13933	1.9
186.13177	0.5
193.12318	1.0
197.11644	0.6
199.06000	0.5
199.70930	0.5
201.11331	1.0
209.11797	1.4
211.13383	10.6
221.06642	1.3
221.11839	2.1
229.14447	7.6
235.08220	5.1
236.45708	0.6
239.12921	1.3
253.09355	1.1
255.23285	36.5
256.23602	2.1
277.21762	0.6
287.07642	0.7
291.19638	4.0
305.08768	1.9
305.17603	0.8
309.20755	7.3
323.09879	0.8
327.21753	100.0
328.22079	6.4
379.12265	0.7
397.13498	53.5
398.13895	2.7
415.14569	17.5
416.15015	0.8
447.34689	0.6
565.44788	1.0
653.37610	5.2
654.37927	0.6
665.90338	0.5
689.33282	0.6
707.35144	5.0
725.36487	2.9
775.05688	0.6
963.59003	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	965.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	0.5
71.53842	0.4
96.95992	0.9
99.61720	0.4
101.14403	0.3
107.01395	1.8
109.02960	0.5
113.02458	0.4
123.00876	1.1
124.01662	1.0
125.02438	2.7
133.44182	0.4
136.01700	0.5
137.02428	1.9
140.01129	0.4
143.85648	0.3
148.01666	0.5
151.00368	6.6
152.01112	0.7
163.00378	1.4
164.01141	0.8
169.01401	2.6
177.74191	0.4
178.99837	4.5
192.00606	0.6
203.03510	0.5
204.04359	0.4
214.02730	3.3
220.01628	0.4
227.03481	0.8
229.62950	0.3
241.70706	0.4
242.02191	3.0
243.02928	2.0
252.04858	0.3
255.02975	0.9
259.02438	3.6
261.21674	0.4
270.01651	4.6
271.02451	24.1
272.02908	1.5
281.03983	0.4
287.01947	13.1
288.02380	1.8
300.02643	2.7
301.03394	1.4
316.02228	73.1
317.02905	17.3
318.03458	0.9
349.05545	0.9
463.08810	100.0
464.09158	8.6
501.19794	8.7
502.20160	1.0
925.09308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01866	1.8
69.03454	3.3
71.01379	7.8
71.55418	1.7
72.99277	1.5
78.92715	1.0
79.01888	1.7
81.03463	3.2
83.01398	2.6
85.02944	4.0
86.36204	1.0
87.00805	1.2
89.02435	5.1
90.08713	1.1
95.01379	4.5
95.05013	2.9
96.96017	2.3
97.02946	3.1
99.00922	1.5
101.02436	4.0
105.03504	2.2
107.01387	7.4
107.03010	1.3
107.05058	1.7
108.02153	3.8
109.02937	6.3
111.00885	3.7
113.02442	3.5
119.03506	1.7
121.02944	3.4
123.00882	19.9
124.01675	14.7
125.02448	100.0
126.02769	2.9
127.00377	1.1
132.02159	3.1
133.02953	1.3
135.04492	1.6
136.01657	2.0
136.98837	2.2
137.02431	12.9
138.03230	8.0
139.00371	8.1
139.03992	4.7
140.01186	7.0
140.02158	1.6
141.01898	1.1
149.02408	3.8
151.00372	7.3
151.04013	3.2
153.01959	1.5
159.04468	1.3
160.01639	2.4
161.02437	17.1
162.03145	1.6
163.03960	1.4
164.01152	4.6
165.01938	11.4
167.03474	7.7
168.00655	12.7
169.01425	88.9
170.01927	3.9
175.03981	4.5
176.04797	1.4
177.01950	7.8
177.05540	4.9
179.03510	1.7
183.04556	1.7
193.01382	4.0
199.03928	2.0
201.01996	1.5
201.05519	3.8
203.03462	4.7
211.02473	32.5
211.04376	2.4
214.02747	1.7
217.05006	1.8
221.04532	3.0
224.04756	1.8
225.43196	1.1
227.03505	3.5
229.01315	5.4
242.05847	2.1
244.03687	1.2
245.04430	2.7
267.03027	1.3
268.03693	2.7
271.04584	30.1
272.04968	1.6
285.03900	2.4
286.04810	10.1
317.02896	1.8
319.04514	2.1
321.02475	4.9
380.31320	1.1
405.05838	1.3
423.07480	1.2
461.19907	3.0
477.17401	6.1
479.23102	6.0
491.18423	6.3
505.21472	1.5
506.21429	3.0
547.21545	4.8
563.24329	2.6
572.10077	1.2
582.54260	1.1
589.23590	2.9
597.26697	1.6
623.24994	4.3
631.23907	4.5
641.26019	16.3
642.25708	2.1
643.24042	14.3
644.23755	1.2
655.23999	1.4
659.27148	6.1
660.27240	1.6
667.23987	3.4
668.24304	1.3
749.28345	6.0
757.25012	1.6
775.26068	24.8
776.26624	5.2
793.27155	93.5
794.27484	17.9
811.28174	49.6
811.40765	1.1
812.28510	9.2
963.26990	9.1
964.30005	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	963.292
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01868	1.7
68.56664	0.6
68.99836	0.6
69.03439	1.9
69.26199	3.3
69.26622	3.7
71.01383	4.9
72.99316	1.0
75.00841	1.0
79.01901	1.1
79.92821	0.6
81.03435	1.4
83.01393	2.2
85.02941	2.4
87.00860	0.7
89.02431	2.9
93.03451	0.9
94.42213	0.7
95.01386	3.1
95.05018	0.9
96.56423	0.7
97.02953	2.8
99.00846	0.9
101.02431	2.6
102.27681	0.7
105.03451	1.8
107.01400	5.7
108.02148	2.9
109.02953	2.2
111.00860	3.1
113.02442	3.1
119.03451	0.9
121.02948	1.2
123.00879	19.8
123.04457	0.8
124.01661	9.3
125.02447	63.7
126.02769	1.7
127.00304	1.1
132.02168	2.4
133.02946	1.0
136.01648	0.9
136.98804	2.2
137.02438	6.1
137.92366	0.8
138.03304	3.4
139.00357	6.7
139.03976	2.5
140.01161	4.7
141.01979	1.0
148.01660	1.2
149.02406	1.8
151.00366	6.5
151.04010	2.1
153.01857	1.2
159.04497	0.9
160.01662	4.0
161.02435	13.7
162.03206	1.3
163.03947	1.3
164.01094	1.4
165.01875	5.3
166.99854	1.7
167.03485	3.9
168.00639	12.1
169.01419	53.9
170.01761	1.8
173.06061	1.5
175.04015	3.8
177.01906	5.2
177.04201	0.8
177.05453	3.3
179.03508	1.2
183.04430	1.0
188.04800	0.8
193.01411	3.2
196.05307	0.8
199.03990	2.6
201.01900	1.3
201.05618	3.5
203.03468	4.3
205.01376	1.0
211.02460	30.6
212.02823	1.2
214.02669	1.7
216.04134	1.2
217.04929	1.2
219.06523	0.9
221.04572	1.2
224.04857	1.1
227.03490	1.9
229.01340	4.0
242.05847	1.7
243.02910	1.2
244.03534	1.3
245.04520	2.3
251.03438	0.9
268.03671	1.5
269.04446	2.0
271.04578	28.5
278.05560	0.9
285.03867	2.3
286.04831	11.7
287.05377	2.2
305.06723	1.7
317.02927	0.9
326.07776	1.0
461.19708	4.0
477.17715	6.0
479.22845	3.4
491.19141	7.1
503.23163	1.0
505.20837	2.1
506.21561	2.2
547.22021	4.8
563.25195	1.6
587.25031	1.6
589.22864	1.6
597.27087	1.4
605.24384	1.1
623.25085	2.2
631.23926	3.6
641.25806	7.8
643.23779	5.7
644.24353	1.4
655.24719	1.3
657.27002	0.8
657.37689	1.0
667.23981	3.2
749.28137	5.5
750.27960	0.9
757.25140	1.6
775.11670	1.1
775.25958	20.7
776.26160	4.7
793.27112	100.0
794.27502	18.3
811.28131	25.1
812.28101	4.7
963.28534	9.8
964.28937	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	961.5739
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	1.0
69.03458	2.2
71.01380	38.1
71.05019	1.6
72.99312	2.6
73.02947	6.4
77.18193	1.0
80.66857	0.9
81.03475	2.3
83.01392	4.3
83.05023	4.2
85.02942	6.8
87.00851	8.2
89.02446	33.6
89.02995	1.7
95.01383	3.0
95.05016	2.3
97.02944	6.0
97.06550	1.1
99.00871	2.4
99.04510	2.2
100.87043	1.1
101.02444	28.0
102.36124	1.0
111.00883	1.6
111.04507	1.6
111.08109	1.1
112.05302	1.6
113.02446	14.9
114.06273	1.0
115.07648	1.5
119.03497	8.5
121.02980	1.2
123.00881	1.2
123.04498	1.2
125.02467	10.9
125.09717	4.4
126.21796	0.9
127.07642	2.9
131.03519	1.6
135.08144	2.6
143.03484	4.3
153.09218	19.2
155.10803	1.5
161.04556	6.6
163.11264	2.6
165.12759	1.8
168.75162	1.1
171.10260	30.5
178.10010	3.0
179.05614	7.5
185.11824	4.1
191.10822	1.7
197.11867	5.3
209.11832	44.0
210.12108	2.4
221.06628	2.6
235.08183	7.2
238.12086	2.7
245.19104	2.3
253.09267	1.5
255.23293	100.0
256.23718	5.6
263.07721	1.6
269.24753	1.4
271.17004	1.0
287.07541	1.8
289.18091	12.9
290.18402	1.4
297.20813	2.6
297.24155	1.0
305.08786	1.8
307.19147	83.9
308.19370	6.1
323.09793	1.2
325.20190	50.2
326.20493	3.8
379.12518	6.3
397.13495	80.3
398.13672	4.0
415.14590	17.4
551.23322	1.6
614.26044	1.2
632.41412	1.0
635.36060	2.3
653.37366	5.3
687.32513	7.5
705.33221	10.8
706.33618	2.2
723.34570	2.5
874.49591	4.8
943.56311	36.7
944.56177	7.5
961.57111	15.9
962.57660	3.9
970.36676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	1.8
70.40754	1.9
71.01382	18.7
72.99310	1.7
73.02962	2.6
78.95893	1.3
81.03426	1.6
83.01357	1.6
85.02943	4.7
87.00854	4.5
89.02445	16.0
95.01369	1.5
96.96048	1.4
97.02969	2.8
101.02448	14.5
109.60424	1.2
113.02462	9.0
119.03502	5.0
125.02469	6.6
125.03230	1.4
135.89529	1.1
136.89151	3.5
143.03487	1.7
161.04564	4.0
165.69566	1.2
179.05573	4.5
183.13844	6.2
193.12291	2.1
211.13391	100.0
212.13675	3.6
214.98375	1.3
217.07011	1.2
221.06726	1.5
235.08101	6.5
277.21707	55.7
278.22040	3.4
287.07800	2.2
305.08694	1.8
318.81235	1.3
327.21759	2.4
379.12430	13.3
397.13495	43.9
398.13638	2.8
407.27472	1.1
415.14587	8.7
591.26569	8.2
609.27692	5.4
657.34851	3.6
675.35919	4.0
869.48267	1.8
984.28174	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44126	27.1
80.58624	10.0
88.88217	10.3
96.95913	12.3
116.92876	42.2
117.92860	15.4
119.94722	15.5
134.89444	15.2
140.04782	11.3
144.54315	12.1
146.77470	10.7
185.18304	11.7
301.14438	29.2
302.14825	14.5
350.19849	11.2
874.45709	17.1
958.52148	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	960.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00848	14.3
80.88117	11.6
88.98808	100.0
105.01936	17.3
116.92894	11.3
125.02456	42.6
167.03458	14.5
169.01469	28.6
177.57686	14.1
218.66000	12.5
223.13438	12.7
229.58609	18.4
293.21277	19.2
348.13202	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	961.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	1.8
70.40754	1.9
71.01382	18.7
72.99310	1.7
73.02962	2.6
78.95893	1.3
81.03426	1.6
83.01357	1.6
85.02943	4.7
87.00854	4.5
89.02445	16.0
95.01369	1.5
96.96048	1.4
97.02969	2.8
101.02448	14.5
109.60424	1.2
113.02462	9.0
119.03502	5.0
125.02469	6.6
125.03230	1.4
135.89529	1.1
136.89151	3.5
143.03487	1.7
161.04564	4.0
165.69566	1.2
179.05573	4.5
183.13844	6.2
193.12291	2.1
211.13391	100.0
212.13675	3.6
214.98375	1.3
217.07011	1.2
221.06726	1.5
235.08101	6.5
277.21707	55.7
278.22040	3.4
287.07800	2.2
305.08694	1.8
318.81235	1.3
327.21759	2.4
379.12430	13.3
397.13495	43.9
398.13638	2.8
407.27472	1.1
415.14587	8.7
591.26569	8.2
609.27692	5.4
657.34851	3.6
675.35919	4.0
869.48267	1.8
984.28174	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
66.20930	0.7
69.03419	1.2
69.50272	6.2
70.22198	0.8
81.03448	3.1
83.01377	3.5
83.05000	1.7
85.02926	2.7
85.06547	1.1
87.00851	1.0
93.03421	4.6
95.01356	1.6
95.05016	1.8
97.02929	1.7
105.03460	1.0
107.05022	1.1
109.02951	14.4
111.04501	2.2
121.02956	5.8
123.00855	3.1
124.01656	2.0
125.02443	100.0
126.02786	3.4
131.05002	1.1
133.02959	1.9
135.04483	1.1
137.02437	27.9
138.03169	1.5
139.04008	13.4
149.02446	8.2
149.06061	1.3
151.03960	5.3
151.42569	1.0
155.10701	1.6
159.04535	2.4
161.02414	2.9
163.00320	2.1
163.03970	2.4
164.01138	3.9
165.01906	12.1
166.02580	1.3
167.03488	16.2
169.01418	3.3
169.12267	1.1
175.03970	9.0
176.77315	0.8
177.01923	74.2
177.05467	2.9
178.02272	2.8
179.03485	11.4
184.82959	0.8
187.04005	6.7
189.05518	1.4
191.01929	1.0
191.03598	1.7
191.05574	6.4
191.07140	1.5
195.12277	1.6
195.13905	18.2
199.04005	1.3
201.05565	1.7
203.03471	2.7
205.01390	2.8
208.50931	0.8
211.04030	2.4
213.05315	1.2
214.02730	1.3
215.03439	3.4
217.05032	3.7
219.06569	8.4
221.04507	5.2
227.03419	1.3
228.04149	2.5
229.05038	4.9
243.02972	8.5
253.05054	1.1
255.02995	26.2
256.03662	5.8
257.04590	4.5
261.04004	5.0
261.07617	3.1
269.04529	3.5
273.03995	6.8
283.02530	16.3
283.05606	1.8
284.02646	1.3
285.03955	6.3
287.05634	1.8
288.02737	1.1
297.03949	9.2
298.04565	1.7
303.05057	11.2
305.06644	56.4
306.06992	3.4
313.87283	0.9
315.04971	1.6
343.06851	1.3
355.08224	3.1
397.09186	1.2
423.07196	99.0
424.07468	9.7
441.08234	89.4
442.08441	6.9
483.09253	10.4
484.09671	1.3
591.11670	2.1
609.12415	53.9
610.12885	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	957.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	3.2
71.01384	15.4
72.99278	1.6
73.02944	3.1
83.01394	1.5
85.02954	3.2
87.00877	2.5
88.98808	5.3
89.02440	13.4
95.01387	2.0
96.96045	2.1
97.02921	2.0
99.80623	1.8
101.02442	11.4
113.02458	7.2
116.92863	7.0
119.03513	3.3
125.02466	14.4
139.03934	1.6
150.97923	1.7
157.18413	1.5
161.04533	3.1
167.03487	3.2
167.10771	2.1
169.01479	7.9
179.05598	3.8
179.14429	3.2
191.03467	1.6
195.13876	13.3
205.12326	8.9
223.13397	63.3
224.13799	3.2
230.34825	1.8
235.08249	3.4
275.20099	4.4
277.21680	2.0
293.21222	100.0
294.21524	7.0
379.12244	2.3
384.92728	1.5
397.13492	34.7
398.14130	2.7
415.14392	10.5
418.48514	1.6
603.26617	4.4
621.27576	12.4
673.34265	2.5
691.35345	4.6
897.48505	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	951.183
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	0.8
69.03452	1.6
71.01378	0.7
71.28551	0.6
71.74685	0.3
81.03473	1.0
83.01373	0.7
83.05026	1.8
85.02945	0.5
87.00875	1.1
91.01913	2.3
93.03460	5.9
95.01383	0.6
96.96009	0.4
97.02947	1.9
107.01392	4.5
108.02157	1.0
109.02964	1.6
111.00829	0.7
111.04522	6.8
119.05080	0.6
121.02977	0.4
123.00896	2.2
123.04515	8.6
124.01659	1.4
125.02442	65.9
126.02785	2.0
127.04017	1.2
135.04535	0.9
137.02438	7.5
139.00412	0.5
139.04016	2.0
141.94638	0.4
151.00313	0.7
151.04015	0.5
152.01154	1.2
153.01900	0.5
155.03485	12.4
159.04549	0.4
161.02417	2.3
164.01126	0.8
165.01927	2.6
167.03484	26.4
168.00536	0.6
168.03854	1.0
169.01414	100.0
170.01785	2.8
173.04538	13.8
175.03931	0.8
177.01897	0.9
177.05551	0.8
179.03508	2.6
183.03026	0.6
191.05606	0.9
191.07172	0.5
193.01422	1.0
201.05547	0.9
204.04190	0.6
205.01659	0.5
219.06590	2.3
221.04436	0.6
243.06755	0.4
245.04535	0.7
261.07498	0.7
269.04593	0.7
287.05685	0.9
305.06641	13.5
306.06912	0.9
309.06021	0.8
319.04434	0.5
323.07736	2.2
325.05597	10.2
326.05893	0.9
331.04584	0.9
339.06668	0.4
341.08685	3.1
343.06534	0.5
357.08441	0.4
446.66623	0.4
449.10788	0.8
457.07733	14.6
458.08127	1.5
484.21027	0.4
490.95715	0.3
493.09857	58.7
494.10217	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	951.568
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	13.9
73.02937	2.1
83.01371	1.5
85.02958	4.1
87.00858	3.7
89.02451	15.1
97.02922	1.8
101.02451	11.1
101.68806	1.2
113.02438	6.4
113.66198	1.1
119.03505	3.4
125.02441	6.0
143.03505	3.8
157.05122	1.1
161.04546	2.3
179.05602	3.6
180.36584	1.0
195.13913	6.6
221.06828	1.8
223.13406	5.2
229.96771	1.8
233.41422	1.3
235.08209	4.1
275.20126	4.3
277.21701	41.9
278.22049	6.5
287.07742	1.9
291.19632	9.2
292.19852	6.6
293.21228	100.0
294.21555	7.4
305.08780	1.6
307.44672	1.3
323.09760	1.7
379.12433	5.4
397.13483	41.2
398.13943	3.9
415.14526	14.1
524.17255	1.3
691.35217	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	953.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99144	1.3
73.82504	0.9
74.13351	0.9
78.27054	0.8
81.03462	1.8
83.01378	3.5
85.02942	3.5
93.03468	4.6
95.01390	1.8
95.05044	1.3
97.02940	2.3
105.03455	1.8
107.01360	1.1
109.02959	11.2
111.04509	2.5
115.98022	1.0
121.02977	5.7
123.00871	3.2
124.01634	2.1
124.05387	0.9
125.02447	100.0
126.02827	2.1
131.04932	1.2
133.02896	1.5
135.04588	1.2
137.02443	28.6
138.03212	1.2
139.04018	12.3
149.02423	8.1
149.06105	1.2
151.04013	5.4
153.94252	0.9
159.04453	1.0
161.02411	1.9
163.00368	2.1
163.03998	3.3
164.01154	4.5
165.01941	13.2
167.03502	13.5
169.01472	1.4
175.04010	8.0
177.01926	73.3
177.05444	2.5
178.02361	3.0
178.37527	1.0
179.03505	10.4
187.03973	3.5
189.05585	1.9
191.03752	1.5
191.05594	24.1
191.07066	1.4
199.03972	2.0
201.05569	1.7
203.03453	2.7
204.04282	2.4
205.01396	2.2
205.05061	1.4
211.04019	2.0
213.05463	1.1
214.02745	2.0
215.03476	3.1
217.01413	1.2
217.05069	2.6
219.06625	8.0
220.06818	1.0
221.04533	5.2
227.03448	1.9
229.05008	3.6
231.06630	1.1
243.03004	7.3
243.06616	1.4
255.02988	19.3
256.03778	4.5
257.04578	4.2
261.03967	4.7
261.07617	3.0
269.04538	3.7
273.04150	6.3
282.01440	1.6
283.02460	13.4
284.03152	1.3
285.03931	4.0
288.02740	1.5
297.04153	6.9
298.04874	1.5
299.05521	1.1
303.05124	9.9
305.06653	55.4
306.07028	3.0
315.05020	2.4
343.06461	3.3
355.08240	2.9
397.09085	1.2
423.07205	84.8
424.07434	8.1
441.08237	69.7
442.08673	6.8
446.93265	1.0
483.09317	10.5
591.11359	3.4
609.12469	53.8
610.12921	7.6
974.96490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	0.6
69.03460	1.6
69.03857	0.3
71.01384	4.1
73.02940	1.3
79.01894	0.4
81.03452	0.6
83.01389	1.4
85.02939	2.6
89.02444	0.8
95.01391	1.2
96.96057	0.4
97.02959	1.5
101.02438	4.0
105.03512	0.4
107.01385	0.7
109.02955	0.9
111.04543	0.5
113.02444	2.0
119.05012	0.5
123.00880	1.9
124.01553	0.8
125.02447	59.9
126.02776	1.6
137.02417	1.6
139.04013	0.6
155.03520	0.5
161.02455	3.1
162.03230	0.5
165.01918	0.7
166.99834	0.6
167.03490	1.3
169.01421	100.0
170.01796	3.7
171.01830	0.6
173.04501	0.6
177.01927	1.0
177.05583	0.6
179.03477	0.8
189.09718	0.4
193.01390	1.9
197.15366	0.5
201.05763	0.4
225.14981	2.4
243.15784	0.4
269.04401	0.9
287.05606	1.7
305.06628	4.6
317.03174	0.5
331.04492	1.3
343.06570	0.4
387.20242	4.2
405.21286	34.7
406.21606	3.1
447.22336	35.5
448.22684	3.1
455.06198	1.0
457.07742	10.8
458.07962	1.7
489.10504	0.5
489.19705	1.1
490.19806	1.3
491.10452	0.7
491.18384	0.9
632.10083	0.5
663.22369	0.5
827.44958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11379	2.4
67.58416	2.5
69.70887	11.5
71.01360	4.8
73.02937	3.4
81.03455	3.8
83.01404	4.0
83.15253	2.6
85.02937	4.9
95.01408	6.9
96.96000	4.3
97.02924	4.9
101.02434	2.9
107.01369	9.9
109.02968	5.5
113.02451	3.7
123.00919	15.8
124.01665	3.5
125.02451	81.4
127.04050	6.4
134.51363	2.5
137.02409	8.3
139.00334	5.5
151.00357	4.9
161.02405	3.1
166.99796	6.2
167.03394	4.8
168.00522	4.1
169.01411	100.0
175.03944	4.4
177.01906	12.6
207.02916	6.3
217.05080	3.1
218.73424	2.5
221.00905	3.2
229.04955	3.2
279.05127	6.5
285.03909	5.7
297.06097	5.3
310.18301	3.2
327.21527	4.5
397.13544	3.0
433.07880	3.3
449.07037	4.3
601.08295	32.3
717.10883	3.0
829.12799	3.6
887.12909	32.6
888.13580	7.1
950.28937	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	951.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01912	0.3
70.08729	0.4
71.01431	1.4
81.03512	0.7
83.01390	2.8
85.02962	0.9
89.02440	0.4
93.03497	1.0
95.01437	0.8
99.00894	0.4
107.01384	9.3
109.02961	7.0
111.08490	0.4
113.02515	1.0
119.05102	1.1
123.00921	0.7
125.02450	16.5
126.02867	0.8
135.00975	0.6
135.04549	2.1
137.02440	19.0
138.02829	0.8
151.00368	33.6
152.00754	1.1
155.03571	0.5
161.02496	1.2
163.00354	3.6
163.03996	0.6
164.01192	1.2
165.01953	1.9
167.03493	0.6
169.01419	23.5
170.01825	1.5
171.04543	0.5
173.04561	2.0
173.05981	0.5
175.04074	0.6
178.99860	25.5
179.03304	2.2
180.00262	0.5
187.04108	0.6
191.05632	1.0
192.00609	2.6
193.01442	1.6
193.03575	0.4
199.04001	0.7
203.03596	0.8
226.13469	0.4
227.03476	2.1
243.02942	2.3
245.04657	0.6
255.03102	0.8
261.04138	1.3
269.04468	0.4
271.02423	5.4
287.02051	1.1
289.03607	0.7
299.01935	4.4
305.06741	0.9
313.05807	0.7
316.02213	1.5
317.03006	100.0
318.03351	6.7
341.08774	1.3
343.06870	0.5
406.21521	0.5
454.00055	0.5
457.07700	2.0
477.10345	1.7
493.06110	84.8
494.06442	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	941.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	25.2
71.18607	5.4
73.02924	4.4
78.38813	2.3
78.95900	3.6
83.01393	2.6
85.02953	5.5
87.00877	4.6
87.18966	2.2
88.98805	3.0
89.02451	19.5
99.92573	4.5
101.02456	19.2
113.02430	9.7
116.92862	28.7
117.92888	4.0
119.03485	6.5
125.02427	8.1
143.03514	3.0
161.04514	3.9
161.35579	2.2
167.10770	3.9
168.97646	2.2
179.05586	4.8
179.14450	4.0
195.13884	11.7
205.12340	10.9
223.13376	100.0
224.13715	5.7
235.08278	5.9
277.21738	68.3
278.22156	5.6
379.12402	8.8
397.13513	58.8
398.13763	3.4
408.00888	2.7
415.14764	11.3
526.08002	2.6
603.26495	9.9
621.27643	13.3
675.35278	3.2
685.83087	2.8
881.49042	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	944.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72504	23.4
67.62623	23.6
77.64314	24.3
81.81118	26.8
116.92849	50.1
223.13394	100.0
224.13545	40.9
229.60410	34.9
256.15485	27.8
277.21750	47.1
278.22031	61.4
447.23798	27.7
485.99673	31.2
807.56641	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	0.4
69.03445	1.0
69.27695	2.0
69.28117	1.5
71.01384	4.7
71.95900	0.4
72.99276	0.8
73.02965	0.5
75.00880	2.8
83.01379	0.8
85.02975	2.7
85.03386	0.4
87.13175	0.4
87.78112	0.4
89.02455	2.3
93.26378	0.3
94.23397	0.4
95.01390	0.9
97.02944	0.5
98.20618	0.6
99.00874	1.0
101.02454	3.2
107.01395	5.7
109.02957	0.8
111.00874	1.2
113.02453	2.4
115.84642	0.5
119.03512	0.5
121.02959	1.0
123.00890	4.7
124.01694	0.4
125.02454	20.9
126.02773	0.5
129.01944	1.2
136.98744	0.6
137.02460	0.6
137.41801	0.4
139.00357	1.3
140.01134	1.1
141.01961	0.5
149.02470	0.4
151.00365	8.3
159.02974	1.1
161.04529	0.6
163.00331	1.6
168.00616	3.5
169.01427	30.3
169.29768	0.4
170.01746	0.6
177.04039	10.8
178.99898	2.5
183.02963	0.6
191.05878	0.4
200.91948	0.4
211.02414	2.9
211.04080	0.5
226.02798	0.8
227.03400	0.9
229.05052	0.6
243.03009	2.7
245.04608	0.6
254.02226	0.4
255.02977	7.0
256.03513	0.5
271.02374	15.3
272.02972	1.3
273.03827	0.5
283.02545	0.8
297.06262	0.4
300.02756	30.0
301.03500	23.3
302.03940	1.2
313.05560	0.5
329.05075	2.5
345.15457	2.7
447.09311	46.3
448.09570	3.8
453.17453	2.6
461.15167	0.5
479.15851	1.0
497.16666	100.0
498.16907	10.1
498.23605	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5792
Annotation	Unknow
Peak:m/z	Relative Intensity
65.87716	3.2
71.01372	23.9
71.54968	2.6
73.02926	3.5
80.83416	3.2
85.02952	8.0
89.02430	18.3
97.02958	8.4
101.02428	16.4
101.45219	3.0
109.06656	2.7
113.02451	5.0
116.92913	3.7
117.40936	3.1
119.03516	6.1
125.02435	9.4
131.43181	3.0
137.09628	2.9
141.01678	5.8
147.18724	2.8
152.25375	2.7
156.06929	3.0
161.04608	5.2
167.81432	2.7
171.10191	5.2
179.05597	3.8
197.11703	6.0
235.08180	7.7
236.23705	3.0
247.20575	3.5
247.26453	3.2
255.23271	71.1
256.23508	7.1
273.18494	4.0
291.19623	35.1
292.23318	3.0
309.20709	100.0
310.20999	8.3
337.12189	2.4
373.17621	3.2
379.12311	4.7
397.13443	61.6
398.14014	5.0
415.14450	11.1
753.90570	3.6
757.96277	3.0
833.62427	3.4
983.59949	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	935.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
67.43799	0.3
69.46719	0.3
71.01367	1.8
75.99980	0.3
83.05026	0.3
85.02968	0.5
87.00873	0.3
89.02448	1.3
95.87201	0.3
97.02945	0.5
98.19901	0.6
101.02450	1.1
111.08135	1.7
113.02453	0.6
115.67889	0.3
121.02969	0.3
125.02424	2.3
137.02441	0.4
143.03481	0.3
165.01956	0.3
165.12837	25.0
166.13150	1.6
167.03435	0.4
169.01462	1.0
171.10265	0.6
177.01855	0.6
179.20518	0.3
181.12431	0.4
183.13890	100.0
184.14226	5.1
197.11829	1.8
209.11821	2.4
211.13460	0.5
227.12875	98.4
228.13211	5.8
291.19736	1.8
309.20703	9.0
310.21097	0.4
327.21768	1.4
397.13580	2.9
415.14633	2.9
705.37988	0.3
707.34924	3.7
708.35651	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	2.2
72.99273	0.5
83.01395	2.8
85.02959	1.8
93.03490	0.7
96.96010	2.4
107.01395	7.8
109.02962	3.8
113.02448	2.1
119.01378	0.7
121.02938	6.1
124.01665	0.8
125.02449	1.8
135.00916	1.3
137.02480	0.9
149.02434	1.3
151.00366	30.0
152.00742	1.1
153.93895	0.5
163.00410	4.0
165.02011	0.7
169.01472	3.2
175.02545	0.9
178.99854	16.0
180.00255	1.2
187.04025	1.0
187.91060	0.6
193.01360	0.9
201.05501	1.6
211.04002	1.9
214.02640	1.1
215.03403	0.9
217.05200	0.6
227.03461	1.5
229.04956	1.3
242.02141	0.6
243.02977	1.0
245.04407	3.8
255.03021	4.5
259.02457	0.9
270.01755	0.9
271.02451	6.9
272.03043	1.0
273.04022	2.9
283.02505	2.5
287.01962	6.3
301.03525	100.0
302.03915	5.6
313.05545	1.1
316.02228	17.1
317.02817	5.2
318.02826	0.6
382.07092	0.5
409.09711	1.6
414.92618	0.6
463.08783	18.8
464.09210	3.1
477.06705	72.7
478.07016	6.9
542.62213	0.7
569.03876	0.8
655.17987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	20.1
71.27018	5.2
75.16069	4.4
78.95911	13.1
80.91680	7.1
89.02443	13.5
94.45646	4.6
96.96018	68.8
96.96968	8.9
98.20634	16.4
101.02430	6.0
109.02919	5.0
113.02446	5.5
119.03503	6.4
125.02451	34.3
125.56378	4.9
128.37769	5.6
143.03545	4.9
160.79623	5.0
161.04562	5.5
169.01401	19.2
177.01900	6.8
195.13855	12.6
205.12350	8.6
211.13429	7.4
223.13374	57.6
235.08191	7.2
275.20273	5.1
293.21222	100.0
378.19196	4.7
397.13556	41.1
398.13977	7.3
415.14569	13.7
603.26147	11.1
621.27338	22.8
691.34918	7.4
897.48962	17.9
898.48120	7.8
933.46857	67.0
934.47485	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	934.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59045	44.6
78.95921	12.1
88.98817	16.0
92.90355	7.6
96.95984	11.9
108.88516	6.1
115.63545	7.1
125.02450	100.0
126.02765	9.0
128.14227	8.3
129.34451	7.4
139.03987	8.4
152.19177	8.3
165.01869	9.1
167.03485	19.7
169.01421	61.2
177.01929	24.9
204.80991	7.4
211.13249	11.0
257.87134	7.4
293.21085	8.6
309.20712	7.6
397.13660	10.9
401.08740	8.0
575.38245	7.7
824.91089	8.5
934.46558	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	935.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	3.5
67.01888	2.3
69.03465	1.4
69.83709	1.2
71.01379	2.4
71.55367	1.7
79.01881	1.5
81.03476	1.2
83.01387	4.1
85.02944	1.8
95.01400	5.3
97.02969	3.5
97.37807	1.2
99.91488	1.0
107.01379	16.6
109.02924	6.3
111.00887	2.8
113.02454	2.2
121.03001	1.0
122.65327	1.2
123.00081	2.0
123.00893	18.0
124.01669	3.2
125.02444	80.6
126.02779	2.2
137.02458	16.6
139.00352	4.3
140.01144	3.1
141.01974	1.2
147.53181	1.0
151.00362	36.0
155.00000	1.2
161.02377	2.3
163.00362	2.1
164.01222	1.4
165.01936	2.2
166.99884	4.3
167.03534	1.7
168.00580	6.1
168.76137	1.2
169.01422	100.0
170.01765	2.7
177.01900	1.8
178.99858	17.4
191.03455	2.2
192.00626	1.6
193.01424	4.0
193.05124	1.4
203.03444	1.2
205.01353	1.9
205.05202	2.1
211.02454	4.4
214.02699	1.2
227.03487	1.6
243.02988	1.9
259.02536	2.2
270.01453	2.2
271.02414	14.0
287.01990	5.7
295.04611	4.0
297.06119	4.9
300.02747	3.3
301.03265	2.0
313.05667	13.0
316.02225	16.6
317.02982	56.8
318.03348	3.7
330.03790	2.3
331.04883	1.5
380.20880	1.3
390.14990	1.2
447.09521	2.5
447.18341	1.1
449.07220	3.7
465.06580	10.0
477.10443	5.3
479.08264	3.0
483.18665	2.2
496.77701	1.2
588.33728	1.4
617.07800	91.0
618.08441	10.7
631.09344	34.9
632.08990	6.2
642.12537	1.3
783.10284	23.9
784.10742	3.5
862.64929	1.5
935.11462	10.9
936.11902	2.6
967.61719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5233
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39997	21.4
78.91883	29.6
78.95897	32.2
79.95730	31.0
85.00628	20.7
94.98074	31.2
96.96033	100.0
109.32453	18.7
125.02449	30.9
169.01398	29.7
228.38376	20.0
277.21741	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	933.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56829	0.2
71.01380	4.3
71.22320	0.3
71.22633	0.3
72.99295	0.5
73.95211	0.3
83.01406	0.3
85.02947	0.6
87.00874	0.6
89.01908	0.5
89.02440	4.8
95.01374	0.7
98.19935	0.3
101.02449	3.2
107.01389	1.8
111.00897	1.3
113.02461	1.6
113.97421	0.2
119.03512	2.5
121.60432	0.3
123.00878	1.7
124.01732	0.9
125.02444	18.7
126.02762	0.7
127.00379	0.4
136.98820	0.7
137.02425	0.4
139.00368	1.4
139.04028	0.3
140.01140	1.5
150.68527	0.3
151.00357	0.7
160.50772	0.3
161.02446	0.5
161.08205	0.4
164.01117	0.3
165.01929	0.7
166.76732	0.2
167.03491	1.0
168.00641	8.7
169.01416	29.1
170.01752	1.1
179.05681	0.3
182.35532	0.3
183.02995	0.4
211.02473	33.9
212.02815	1.6
213.89075	0.3
241.03593	0.6
271.04578	39.1
272.04980	1.9
305.06760	0.6
313.05429	0.3
323.13455	9.2
324.13721	0.7
331.06628	0.9
429.14194	0.4
432.06137	0.3
457.07574	1.2
463.26306	0.3
475.14529	100.0
476.14917	9.9
734.41113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84699	0.3
71.01376	4.4
71.55015	0.8
72.99326	0.4
83.01398	0.5
85.02943	1.2
89.02444	4.4
95.01364	0.8
96.96023	0.5
97.02973	0.3
98.20451	0.4
101.02448	4.2
107.01394	2.5
111.00868	1.0
113.02450	2.5
119.03493	2.0
123.00886	1.6
124.01691	1.2
125.02449	23.7
126.02768	1.0
129.97847	0.4
135.04480	0.8
136.98795	0.9
137.02461	0.8
139.00378	1.3
139.03969	0.7
140.01173	1.8
141.22896	0.4
149.04625	0.5
151.00400	0.8
151.03932	0.4
161.02463	0.5
165.01924	0.8
166.99861	0.4
167.03490	1.1
168.00645	9.2
169.01425	36.6
170.01773	1.4
183.02922	0.5
193.01335	0.6
211.02470	35.6
212.02802	1.5
241.03520	0.9
271.04584	41.2
272.04807	2.9
287.05783	0.4
305.06638	0.9
323.13489	8.8
324.13638	0.5
331.06711	0.8
429.14548	0.4
457.07788	2.0
475.14490	100.0
476.14810	9.2
591.09143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01400	44.5
71.52160	52.0
80.96478	48.6
91.61207	29.5
125.02414	100.0
277.21753	51.2
397.13501	52.2
410.79593	46.2
799.83502	36.1
933.47644	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01958	12.8
70.83536	12.4
71.01379	40.5
73.02926	18.5
78.95904	31.2
82.77987	11.1
96.95995	29.1
98.20757	28.9
125.02448	100.0
135.31003	11.7
137.02399	23.7
167.03531	22.3
169.01389	79.7
171.10219	13.2
177.01895	21.0
206.32773	12.8
211.13362	15.7
225.11189	15.5
289.18243	14.3
291.19949	14.2
307.19073	15.0
309.20679	24.0
341.23163	17.9
397.13644	20.5
429.49249	13.6
933.46857	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	932.5234
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99307	35.7
76.20162	25.7
78.95875	28.3
88.98791	71.1
92.92818	31.2
96.95973	41.4
106.36839	23.2
125.02422	100.0
147.52632	24.4
167.03578	24.6
169.01445	66.5
201.75018	23.0
204.72673	24.6
211.13155	27.0
301.37057	27.1
400.46170	28.6
551.27228	28.0
640.98676	28.2
890.56439	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5227
Annotation	Unknow
Peak:m/z	Relative Intensity
70.88310	19.4
72.99310	30.6
78.91859	27.7
80.96525	28.1
88.98792	74.9
95.30123	22.3
96.96003	30.7
125.02440	100.0
132.52182	21.1
162.09311	18.4
169.01390	89.9
177.01831	19.2
183.83450	23.0
193.97458	22.2
198.93846	17.8
202.58742	21.7
210.08882	24.0
227.79388	20.2
643.16919	22.9
805.55164	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	923.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99550	0.5
70.05490	0.9
71.01379	3.4
73.02951	1.8
78.95879	0.3
83.01369	0.4
85.02962	1.0
87.00880	0.6
89.02431	1.7
93.03463	0.3
97.02993	0.3
97.06583	0.3
99.00874	0.8
99.04659	0.3
99.92578	13.3
100.92567	0.5
101.02462	1.6
106.04229	0.6
107.05010	0.5
109.06606	0.4
112.98537	0.3
113.02452	0.9
114.93425	0.3
116.92857	100.0
116.97232	2.1
117.01938	3.0
117.92865	4.6
119.03493	0.8
124.11633	0.3
125.02446	0.9
129.68407	0.2
143.03432	0.4
161.04590	0.6
177.12825	1.9
179.05632	0.6
195.13896	3.9
199.40526	0.3
203.10739	2.3
203.14348	0.3
204.11087	0.3
209.11827	1.0
221.11823	1.0
227.12724	0.3
229.12267	1.3
235.08279	0.4
237.14954	3.8
247.13387	4.1
255.23293	0.8
265.14529	1.3
277.21698	6.0
278.22229	0.3
305.08829	0.3
379.12415	0.6
397.13449	3.0
415.14459	0.4
464.10068	0.3
551.41699	0.3
562.12274	0.3
627.26575	0.5
645.17761	0.3
645.26898	1.3
648.86218	0.3
663.29047	0.3
756.62335	0.3
879.47467	0.4
905.49506	0.6
923.50317	7.8
924.50677	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	925.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	1.2
66.26432	0.6
83.01365	1.3
90.66087	0.6
91.01938	0.8
93.03465	1.1
98.19922	1.5
106.26554	0.6
107.01392	2.9
108.02197	1.1
109.02972	2.2
118.24602	0.6
120.70602	0.6
121.02947	2.5
125.02451	2.7
135.00919	0.6
139.03976	0.6
145.59018	0.6
148.01671	1.4
151.00369	11.0
163.00356	3.5
169.01402	1.9
177.01956	0.9
178.99806	5.7
211.04004	1.5
217.01543	0.9
226.02773	0.9
227.03493	1.5
239.12917	1.3
243.03026	7.0
245.04605	1.4
255.03015	13.8
257.04703	0.7
259.02377	1.8
271.02484	29.0
271.05441	1.4
272.02936	3.2
273.04086	1.5
283.02457	1.6
285.04028	5.1
287.01953	4.2
299.01962	0.8
300.02747	55.4
301.03510	42.5
302.03946	3.3
313.05777	0.9
315.01556	5.2
316.02158	2.5
330.03790	11.1
331.04559	8.1
447.09314	100.0
448.09586	9.4
477.10394	24.8
478.10541	2.2
599.10291	1.1
651.80676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.215
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01882	0.4
69.03447	1.0
71.01390	1.1
71.52357	0.3
72.99313	0.3
75.00875	0.9
81.03463	0.7
83.01385	0.5
85.02942	1.6
87.00892	0.5
89.02443	0.3
95.01404	1.0
96.96011	0.5
97.02953	1.0
99.00882	0.7
103.99406	0.3
105.03441	0.6
107.01373	0.7
109.02952	0.6
111.04444	0.3
113.02464	1.8
121.02940	0.6
123.00880	1.1
124.01664	0.4
125.02447	57.3
126.02851	1.4
129.01929	0.3
137.02457	1.5
139.04080	0.6
147.04541	0.3
149.02448	3.3
150.02957	0.4
161.02441	3.1
164.01176	0.3
164.04785	2.2
165.01929	1.3
165.05476	0.3
166.99869	0.9
167.03497	1.1
169.01421	100.0
170.01788	3.8
175.02515	0.3
175.03999	0.3
177.01953	0.5
179.03491	0.6
179.07036	0.4
193.01385	1.8
197.06175	0.3
219.06580	0.7
221.04356	0.3
223.06134	1.7
249.06155	1.2
267.07224	4.7
269.04550	1.0
287.05557	2.0
305.06674	4.4
306.07150	0.4
331.04556	1.6
457.07761	11.9
458.07938	1.1
473.12997	13.5
474.13297	0.9
649.25482	0.3
732.37396	0.3
843.29633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	3.5
67.01875	1.8
67.33416	0.7
69.03461	2.0
71.01385	2.4
72.99323	0.9
79.01897	1.4
81.03442	1.7
83.01397	3.0
83.05015	1.3
85.02932	3.6
95.01394	8.2
96.95988	0.8
97.02958	2.5
99.04518	1.3
107.01389	15.2
109.02936	4.9
110.00099	0.6
111.00881	2.6
111.92419	0.6
119.05046	1.1
123.00886	24.2
123.04556	0.8
124.01659	2.7
125.02444	82.3
126.02804	2.1
127.04021	7.9
135.04492	1.1
136.98833	1.7
137.02435	10.3
139.00357	5.1
140.01173	3.7
141.01936	1.4
147.06905	0.7
149.02383	0.8
150.06824	0.9
151.00366	21.7
153.01978	0.7
161.02550	1.0
163.00394	1.8
163.04036	3.4
164.01137	0.8
165.01889	1.9
166.99864	9.5
167.03491	0.8
168.00653	6.8
169.01421	100.0
170.01801	3.2
173.06084	1.1
175.04013	1.0
177.01923	2.3
178.99831	10.6
187.03842	0.8
189.05553	2.4
191.03464	0.8
191.07205	0.6
192.00659	1.6
193.01392	3.1
199.03911	0.9
203.03458	1.1
206.02180	1.9
207.02969	8.0
211.02397	0.8
214.02728	1.7
217.05028	2.6
219.03052	0.8
221.00938	1.1
227.03476	1.1
229.14841	1.0
233.04608	0.6
235.06111	2.8
242.02328	0.8
243.02986	2.5
259.02469	1.3
261.04019	1.7
263.05716	0.9
270.01755	0.7
271.02429	6.5
272.03036	0.6
279.05066	13.1
281.06622	2.3
287.01941	6.1
297.06110	6.9
315.01477	2.7
316.02237	10.3
317.02991	19.6
318.03430	1.5
394.49734	0.7
431.06192	0.8
433.07794	2.1
449.07263	12.1
450.07468	1.1
601.08350	25.4
602.08142	3.7
615.10510	0.8
714.03766	0.7
749.11078	0.8
767.10999	18.4
768.11536	3.3
919.12140	38.1
919.43396	2.1
920.12592	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	918.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99257	11.1
71.01392	46.3
71.08556	15.2
78.95895	64.4
85.02988	13.1
89.02428	19.6
96.96004	22.9
107.01376	16.7
109.01452	12.3
113.02413	15.5
121.22071	10.7
123.00911	15.7
125.02449	100.0
150.36076	13.7
159.50450	12.7
167.03442	20.3
169.01463	99.7
171.10277	20.9
177.01917	18.0
209.11760	14.4
225.11333	20.0
241.14526	18.4
291.19644	16.0
293.21237	17.2
293.52679	12.8
294.21677	17.6
317.02649	18.1
341.23334	19.7
342.23438	12.9
601.07672	13.8
650.73138	14.4
658.29205	10.7
767.11029	12.2
918.46759	42.0
919.12067	21.4
919.47888	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	3.0
65.03959	0.3
66.72981	0.3
67.01884	2.1
68.99854	0.5
69.03459	1.4
71.01391	1.0
72.99316	0.4
79.01900	2.2
81.03458	1.7
83.01384	2.9
83.05031	1.3
85.02962	3.0
87.00912	0.3
91.37292	0.3
93.03453	0.3
95.01384	7.2
97.02961	2.5
99.04523	1.3
107.01389	14.9
107.04990	0.4
109.02949	5.3
111.00901	2.8
111.04531	0.5
117.03479	0.4
119.01392	0.5
119.05016	1.0
121.02914	0.3
123.00883	22.2
124.01743	2.2
125.02443	80.6
126.02803	2.0
127.00429	0.8
127.04004	7.4
135.00893	0.7
135.04512	1.0
136.98825	1.3
137.02440	8.9
139.00360	5.7
140.01163	4.7
141.01947	1.1
143.05002	0.6
145.02943	0.7
145.06555	0.4
147.04517	0.4
148.01752	0.4
149.02383	0.6
151.00365	20.5
151.04015	0.7
152.00754	0.9
153.01956	1.1
159.04474	0.4
161.02449	0.6
161.06090	0.4
162.03319	0.5
163.00372	1.8
163.04004	3.6
164.01157	0.6
165.01913	1.3
166.99843	8.0
167.03532	0.4
168.00626	5.7
169.01418	100.0
170.01750	3.2
171.04489	0.5
173.06078	1.0
174.03275	0.4
175.04002	1.2
177.01897	1.0
177.05563	0.5
178.99841	10.4
179.03452	0.4
179.07152	0.4
187.04048	0.6
189.01855	0.6
189.05557	2.4
190.99881	0.7
191.03464	1.5
191.07123	0.7
192.00659	1.3
193.01405	2.6
193.05049	0.5
195.83054	0.3
199.03967	0.7
203.03500	1.1
203.39607	0.3
204.04262	0.5
205.01434	0.7
206.02180	2.2
207.02977	9.6
207.06641	0.7
208.03270	0.5
209.04561	0.4
211.02475	0.5
214.02621	1.0
215.03445	1.0
217.01501	0.4
217.05045	3.1
219.02991	0.8
221.00891	1.7
227.03453	1.0
227.43341	0.4
231.02966	0.4
233.04471	0.8
235.02521	0.6
235.06097	3.2
237.04172	0.5
242.02211	0.9
243.02859	1.7
245.00850	0.4
245.04651	0.4
251.05463	0.5
259.02423	2.3
261.04007	2.3
263.05634	0.6
270.01642	0.9
271.02448	7.4
272.02866	0.8
279.05072	12.9
280.05585	0.9
281.06613	1.6
286.98935	0.6
287.01935	5.9
288.02615	0.7
289.03287	0.5
297.06155	6.0
298.06342	0.3
299.02048	0.5
306.14417	0.4
315.01529	3.1
316.02225	12.9
317.02975	19.7
318.03375	1.5
321.02530	0.4
431.06253	1.5
432.06851	0.5
433.07748	2.1
449.07214	7.0
450.07486	1.1
601.08307	23.3
602.08783	3.7
615.09662	0.4
749.09692	0.8
753.97974	0.3
767.11115	7.6
768.11127	1.4
919.12061	35.1
920.12286	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	916.5282
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97966	20.0
75.00871	11.8
78.91894	16.4
78.95459	10.5
78.95904	79.6
79.95733	8.8
80.96514	16.1
96.96988	20.7
112.34496	7.8
121.66238	7.1
125.02441	19.8
129.01938	16.1
135.03001	13.4
152.99544	14.6
167.03494	7.9
168.44257	7.2
175.06348	23.0
211.13268	11.2
219.08977	8.8
241.01208	39.3
255.23221	11.8
277.21576	12.4
300.16025	20.9
301.16644	8.5
305.06497	8.2
318.17084	23.1
344.18588	8.9
362.19672	9.5
684.94348	9.1
916.47778	100.0
917.47980	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	13.4
71.52583	10.3
78.95906	24.6
83.59306	8.5
89.02435	17.5
93.11539	8.4
96.95985	12.2
101.02466	14.2
120.06258	8.8
125.02416	15.2
195.13838	8.4
223.13377	100.0
235.08130	9.1
245.21060	8.8
252.44846	8.8
277.21655	68.2
299.98663	8.8
376.92334	8.9
379.12399	14.7
397.13516	49.9
415.14737	17.6
603.26501	26.8
621.27283	12.2
675.35645	16.7
914.67072	10.8
917.47272	67.5
918.47748	13.3
928.80945	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	917.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35510	2.8
64.92294	2.5
71.01380	19.1
72.81522	2.8
78.95916	2.8
83.01398	2.9
85.02943	3.9
89.02459	13.2
97.02963	2.9
97.06609	3.0
98.69392	2.6
101.02428	10.8
111.00899	2.6
111.08147	6.6
113.02438	6.8
122.49302	2.8
125.02455	21.6
143.46735	2.9
165.12837	5.4
167.03439	4.4
169.01430	13.0
177.01909	6.1
179.05602	3.5
183.13898	43.0
184.14240	5.1
197.11835	28.3
204.55183	2.7
209.11839	3.5
211.13225	3.3
225.11122	2.4
227.12953	6.9
243.46695	2.8
291.19678	8.9
293.21130	5.8
309.20700	15.1
397.13382	9.2
415.14392	4.2
779.50458	3.0
917.47437	100.0
918.48132	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	918.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99243	4.7
71.53459	8.6
78.95886	6.8
79.95731	10.8
96.95995	14.0
111.00925	4.7
123.00873	4.9
125.02454	39.6
139.80353	4.5
151.00337	4.8
167.03468	6.0
169.01408	34.3
177.01901	5.9
183.01311	4.8
195.13962	10.9
211.13387	18.5
223.13460	7.4
235.08119	5.1
277.21671	16.7
293.21213	100.0
294.21506	47.2
305.73016	5.0
307.55490	5.4
391.15833	6.0
534.19385	5.1
601.08258	7.3
767.11133	9.4
918.46643	14.3
919.12128	7.9
919.47070	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	915.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
65.31043	0.6
69.03448	3.6
69.19913	6.1
71.01381	82.3
72.01729	0.9
72.99316	3.2
73.02946	100.0
74.03273	1.4
75.00861	3.7
81.03458	1.3
83.01385	34.4
84.01710	0.8
85.02954	10.0
87.00867	3.0
89.02445	12.9
95.00885	0.5
95.01366	2.9
96.96031	1.4
97.02949	1.5
98.19834	0.9
99.00890	1.5
99.04509	0.6
101.02444	87.4
102.02776	1.0
107.01401	0.8
109.02981	0.7
111.00877	1.0
113.02448	32.0
114.02758	0.6
117.01945	0.7
119.03498	7.9
121.02901	0.5
123.00916	1.2
125.02442	9.6
131.03500	10.6
143.03493	9.5
144.78046	0.5
147.02908	0.6
149.04552	16.1
150.03075	0.6
155.03479	3.3
161.04550	26.8
167.03456	0.7
169.01424	6.7
177.01886	1.1
203.05658	3.4
221.06656	7.3
316.52194	0.6
331.13403	0.6
676.23926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26877	86.6
69.27309	83.3
71.01389	25.4
78.95923	56.5
86.51563	18.3
87.00957	21.4
96.96021	24.0
101.02408	25.5
113.02489	17.2
116.92837	30.7
125.02402	100.0
127.09234	17.3
137.02507	17.2
145.02985	18.3
169.01407	70.0
177.01936	53.9
183.13928	41.2
288.29376	16.8
291.19672	44.6
397.13705	32.0
899.46399	27.9
917.47028	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	33.4
71.54520	26.8
71.54955	33.4
72.79565	33.7
74.68592	29.3
78.91890	88.1
78.95905	54.6
79.95724	35.5
80.96516	58.8
94.98127	42.2
96.14378	28.7
96.96019	100.0
96.96980	30.7
123.78868	28.5
125.02452	37.1
185.28764	29.0
255.23372	34.2
397.13083	36.8
724.64221	37.9
744.94141	34.6
916.48596	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.1624
Annotation	Assamicain A
Peak:m/z	Relative Intensity
67.01895	0.3
68.91375	0.1
68.93369	0.1
69.03452	1.2
79.01903	0.4
81.03465	0.8
81.73441	0.1
83.01378	0.7
93.03476	0.2
95.01394	0.4
95.05041	0.4
97.02954	1.4
105.03457	0.6
107.01367	0.7
109.02951	0.8
111.04507	0.2
121.02965	0.1
123.00878	0.8
124.01664	0.6
125.02448	58.1
126.02790	1.5
133.02985	0.2
135.04544	0.2
136.91377	0.1
137.02444	1.7
138.32797	0.1
139.04019	1.2
149.02402	0.3
151.00401	0.1
151.04015	0.3
161.02435	3.3
164.01129	0.2
165.01912	1.1
166.02640	0.1
166.99861	0.5
167.03499	1.7
168.00685	0.2
168.03792	0.1
169.01424	100.0
170.01758	3.1
173.06038	0.1
175.03932	0.1
177.01950	0.2
177.05540	0.5
178.02545	0.1
179.03494	1.3
183.04501	0.2
193.01418	1.9
201.05525	0.2
203.03497	0.2
204.04228	0.1
205.01414	0.3
215.07161	0.1
218.05548	0.1
219.06602	0.9
221.04567	0.5
225.05522	0.2
227.03447	0.3
229.01306	0.3
243.06674	0.2
245.04597	0.1
261.07654	0.5
269.04495	1.5
270.04770	0.1
275.05664	0.2
287.05609	2.2
288.05997	0.2
305.06665	7.2
306.06906	0.5
319.04712	0.5
331.04535	1.8
332.04855	0.1
338.31036	0.1
457.07751	10.0
458.08121	1.1
530.47534	0.1
713.53339	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	915.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	0.4
66.32111	0.2
71.01360	0.4
71.55283	0.3
74.19260	0.2
74.99580	0.2
78.01140	0.2
83.01353	0.3
83.84853	0.2
110.00134	0.3
111.00883	1.9
123.00867	0.2
124.01608	1.2
127.00361	0.9
136.98778	1.2
139.00380	1.9
140.01160	2.8
151.00328	0.5
154.99887	0.3
168.00647	5.0
169.01358	0.4
178.99931	0.5
183.02977	100.0
184.03307	3.9
227.03403	0.3
243.03000	0.7
254.02223	0.2
255.03001	1.6
271.02448	3.9
272.02982	0.4
299.02200	0.3
300.02734	7.9
301.03250	1.0
323.74945	0.2
335.04074	16.8
336.04361	1.3
447.09052	0.3
579.13501	12.1
580.14276	1.7
655.29517	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73203	5.0
66.30170	4.8
70.10681	23.3
71.01378	12.6
72.99316	9.1
75.00868	100.0
78.91856	8.4
89.02446	9.0
97.06547	8.8
98.20058	8.2
101.02430	7.8
105.66287	5.4
119.69276	5.4
125.02411	23.7
169.01382	5.3
171.10298	11.3
177.01862	6.3
187.68335	5.2
193.12279	8.0
195.13831	7.6
202.03389	6.5
214.44385	6.2
223.13309	6.6
225.14961	12.3
237.14919	6.5
253.09306	29.0
255.23283	27.6
277.21579	23.7
293.21243	77.7
297.18442	5.3
309.20544	11.2
341.23218	84.1
342.23407	8.2
397.13440	18.4
617.44299	14.3
656.59821	5.7
800.77533	7.6
864.40546	6.7
878.05298	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	914.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	25.3
72.95215	14.3
75.00883	53.5
77.95061	14.9
78.95875	15.1
89.02452	17.3
96.96014	22.6
101.02461	29.5
108.84740	14.3
111.08141	15.0
113.02441	18.5
125.02448	100.0
137.28960	16.0
167.03490	17.9
169.01486	32.1
173.75829	14.0
177.01990	24.6
191.16400	14.9
255.23322	48.7
276.63654	14.6
277.21747	46.9
278.21829	17.5
366.22427	16.2
397.13345	29.4
407.25406	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	914.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55730	55.3
72.99300	100.0
78.91924	20.0
88.98815	65.6
101.02424	18.4
125.02486	48.4
137.05823	16.5
139.20546	18.8
157.00838	15.5
166.98566	17.1
255.23227	54.4
277.21701	54.0
507.85455	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	914.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
68.20271	14.0
69.97494	13.3
70.20583	14.3
71.01375	42.4
85.02931	21.7
87.00898	19.3
89.02440	35.1
91.86027	12.8
92.42949	15.6
98.19858	46.1
99.00879	14.8
101.02464	24.2
111.01236	14.2
125.02425	100.0
132.25815	13.7
138.91037	13.5
167.03445	23.2
169.01421	58.4
171.10178	17.9
175.06470	25.0
177.01904	47.6
197.11800	36.0
202.78731	15.3
209.11717	19.6
211.13466	27.8
223.13336	56.8
224.13712	38.5
291.19608	32.7
300.16299	18.3
309.20789	97.7
310.21045	34.7
346.86801	14.8
397.13358	51.1
398.14053	15.7
415.14426	19.3
427.28424	18.5
504.23578	17.3
549.26526	15.1
554.73322	16.5
570.97614	16.7
672.75232	16.3
721.60974	15.4
858.49689	35.0
915.45624	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	1.6
70.71844	2.7
70.72214	2.4
78.85680	1.3
81.03439	1.9
81.19870	1.1
83.01412	3.4
89.60336	1.1
93.03448	2.3
96.80325	1.2
105.03448	1.6
107.04961	1.8
109.02954	10.1
111.04497	1.7
119.04992	1.2
121.02945	5.0
123.00872	2.1
124.01695	1.3
125.02448	98.1
126.02795	2.1
131.05028	2.8
133.02989	4.0
137.02438	25.2
139.04015	7.1
147.04539	2.1
149.02435	8.9
151.03986	12.0
161.02419	3.1
163.00385	3.4
163.04031	4.2
164.01181	5.3
165.01926	11.0
167.03473	11.5
169.01408	1.7
173.02443	1.2
175.00327	2.3
175.04001	20.5
176.01193	2.4
177.01927	100.0
178.02290	3.9
179.03525	6.8
187.04031	3.0
189.01959	2.8
189.05568	1.8
191.03477	4.9
191.05128	1.4
193.05087	2.9
199.04027	8.7
201.01886	1.8
201.05545	2.3
203.03412	1.6
205.01439	1.4
205.05096	1.7
211.04002	2.3
213.05589	2.3
215.03380	2.5
217.01419	2.3
217.05072	13.7
219.02962	6.0
219.06599	5.0
221.04564	3.7
227.03479	2.6
229.05121	3.3
231.03102	1.7
243.02972	38.0
244.03241	2.4
247.02480	1.4
255.03018	14.2
256.03677	2.1
257.04517	3.1
259.02286	1.4
259.06030	2.3
261.03992	23.6
261.07062	1.6
261.07886	1.6
262.04419	2.1
267.03076	1.1
269.04572	2.9
270.99210	1.0
273.04062	4.0
277.86166	1.2
281.04767	1.6
282.01675	1.8
283.02542	7.4
285.04041	6.2
287.05539	1.5
287.95120	1.0
293.04535	1.8
297.04065	4.0
303.05106	23.8
304.05310	2.0
305.06683	34.2
306.07028	2.6
307.01959	1.4
343.99536	1.5
357.06104	1.5
373.03268	1.9
374.04419	1.5
391.04532	4.0
397.05313	1.4
421.05667	4.5
423.07172	34.1
424.07361	2.2
429.08295	7.6
439.06735	4.6
441.08023	11.2
465.08478	2.2
481.07736	4.9
482.09232	1.3
483.09348	7.4
484.09662	2.0
541.07678	13.5
542.08221	2.6
559.08905	14.7
560.09003	3.0
577.09991	4.1
591.11768	1.9
601.09698	2.3
607.10950	2.8
608.11816	1.3
609.12482	11.0
619.10968	3.1
727.13141	16.0
728.13403	2.9
745.14056	4.0
798.94727	1.5
900.25940	1.4
913.19330	2.2
914.20245	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	913.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	5.6
70.09364	4.9
71.01379	23.5
71.05050	1.5
72.99310	1.7
73.02957	4.1
83.01375	2.6
85.02945	5.5
87.00882	5.5
89.02448	18.6
95.01370	2.1
97.02963	4.3
97.95408	1.3
101.02442	17.3
109.06590	1.5
111.08156	8.2
113.02471	8.3
119.02746	1.2
119.03519	4.9
121.13609	1.2
125.02423	22.3
127.07758	1.3
137.02412	2.1
143.03476	2.7
153.12883	1.8
159.04510	1.3
161.02415	1.5
161.04601	2.9
167.03416	1.5
167.10747	2.3
169.01430	8.2
169.12321	3.7
171.10265	1.4
175.06364	2.9
177.02036	3.3
179.05576	6.4
179.14334	3.1
181.12361	1.7
195.13890	9.3
197.11832	44.8
198.12117	1.8
199.13390	2.5
205.12340	8.9
209.11850	2.4
211.13432	7.1
219.09055	1.3
223.13387	74.8
224.13762	4.3
227.12888	2.5
235.08255	4.2
243.03131	1.3
253.09389	2.0
255.23212	1.3
263.20181	2.7
265.18063	1.2
277.21738	2.4
291.19669	20.2
292.20044	1.8
300.15900	3.7
305.09232	1.4
309.20700	100.0
310.21078	6.8
323.09872	1.8
327.21967	3.1
344.18661	3.8
345.18823	1.3
379.12305	3.5
395.36182	1.4
397.13480	39.8
398.13776	2.4
415.14606	15.2
438.10693	1.5
603.26477	4.6
621.28040	7.9
689.33954	2.8
707.34650	3.7
859.50513	6.8
913.48322	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	913.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.8
69.03426	0.8
70.98836	0.6
70.99178	1.6
80.01688	0.6
81.03448	1.6
83.01376	2.4
93.03463	1.8
95.01417	1.2
95.05013	1.6
97.02952	1.3
105.03436	1.7
107.01432	0.7
107.05043	1.5
109.02945	5.5
111.04497	1.5
121.02953	2.8
122.87185	0.7
123.00883	3.4
124.01662	1.9
125.02447	100.0
126.02785	2.1
127.96603	0.7
131.05046	1.2
133.02974	3.1
135.00928	0.7
137.02444	11.9
137.35541	0.6
139.04001	4.4
141.73016	0.6
145.06535	0.7
147.00874	1.4
147.04506	0.7
149.02444	6.0
149.06076	1.2
151.04013	8.2
159.04518	1.2
161.02434	15.8
163.00351	3.8
163.04001	2.4
164.01149	2.7
165.01929	6.1
166.02666	0.7
167.03487	7.9
169.01425	30.4
170.01807	1.3
171.04578	1.1
173.02486	0.8
173.06181	0.9
174.03168	0.6
175.00357	2.7
175.03992	13.9
175.06413	0.7
176.01094	1.7
177.01926	61.9
177.05516	2.6
178.02263	2.5
179.03558	4.2
180.66167	0.7
187.03993	2.3
189.01999	1.1
189.05537	0.9
190.02748	0.9
191.03577	3.7
193.01447	2.6
193.05128	1.9
197.06026	0.8
199.03941	4.2
201.01933	2.1
201.05569	2.5
203.03549	3.0
204.04237	0.9
205.01515	1.3
211.04082	1.6
213.05606	1.3
215.03531	3.1
217.01329	0.8
217.05000	6.4
218.05438	0.7
219.02921	3.7
219.06616	3.2
221.04544	1.3
225.05515	1.1
227.03514	4.4
228.04175	0.7
229.01418	1.6
229.05048	3.0
231.02904	0.7
241.04961	1.3
243.02969	14.8
244.03381	1.3
245.04486	1.6
253.05193	1.1
255.02969	11.1
256.03717	2.6
257.04480	2.6
259.05984	0.9
261.03983	6.1
269.04529	6.6
271.02530	0.8
273.04160	2.4
283.02533	5.7
285.03940	3.7
287.05606	6.8
288.02802	1.5
295.06195	0.9
297.03946	3.4
301.03537	2.3
303.05038	5.7
305.06644	14.3
306.07086	1.3
313.03577	1.0
319.04706	2.1
321.02420	4.2
327.05154	1.1
379.08148	1.5
387.04996	1.2
405.06134	5.6
406.06546	0.8
423.07202	56.8
424.07397	6.0
439.07101	0.9
441.08234	5.4
453.08328	1.4
457.07721	4.3
465.08331	4.8
466.09351	0.8
483.09247	4.4
530.46442	0.8
573.10632	2.1
575.08368	6.0
576.08740	1.0
591.11346	12.8
592.11700	2.7
593.09283	9.0
594.09766	2.0
609.12372	12.5
610.13177	1.5
635.10773	2.4
743.13190	0.9
761.13519	21.7
762.14026	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	913.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.2
69.86624	4.1
69.86990	1.4
71.01368	0.8
81.03453	1.8
83.01387	2.7
93.03456	2.5
95.01375	1.6
95.05020	1.1
96.83614	0.8
96.96000	4.0
97.02927	0.9
105.03472	2.1
106.63020	0.8
107.01413	0.8
107.05003	1.0
109.02941	6.6
111.04533	1.2
121.02967	4.4
123.00891	4.8
123.04520	1.0
124.01631	2.8
125.02445	100.0
126.02802	3.0
131.05008	1.5
133.02940	3.3
135.04544	0.9
137.02446	13.7
138.03279	0.9
139.03983	6.3
143.05008	1.5
145.02948	1.7
147.04471	1.0
149.02454	7.3
151.00345	1.6
151.04016	8.5
152.79128	0.8
159.04465	2.1
161.02449	15.0
162.02881	1.0
163.00327	3.5
163.03981	3.5
164.01183	1.5
165.01944	6.6
166.02638	1.0
167.03503	9.7
169.01421	22.7
170.01744	1.2
171.04456	0.9
173.02371	1.0
173.06042	1.2
175.00371	1.1
175.03990	16.7
176.04277	1.3
177.01927	64.4
177.05380	4.0
178.02298	2.9
179.03523	3.8
183.04338	1.4
183.36322	0.8
185.06049	0.9
187.03958	3.6
188.04857	0.8
189.01884	1.4
189.05626	1.5
191.03464	2.3
193.01430	2.5
193.05000	1.8
195.70021	0.8
197.06148	0.9
199.03987	5.0
201.01955	3.6
201.05507	1.8
203.03445	3.7
205.05063	1.4
211.04063	1.7
213.05595	2.0
214.05913	0.9
215.03439	3.5
217.01485	1.2
217.05103	7.8
219.02895	3.3
219.06555	2.4
221.04510	1.6
223.03802	1.0
225.05515	1.4
227.03488	4.5
228.04184	1.1
229.01402	3.4
229.04967	4.4
231.02933	2.7
233.04477	1.1
234.66454	0.8
241.04999	2.9
243.02982	17.7
243.06636	1.1
244.03355	1.2
245.04562	4.2
255.02963	12.8
256.03720	3.0
257.04529	2.7
257.69775	0.8
261.04044	7.6
261.07690	1.3
265.05063	0.8
267.02908	2.2
269.04556	6.1
271.02527	1.5
272.03168	0.9
273.04001	6.1
283.02481	7.4
283.05789	1.6
285.04025	23.5
286.04495	3.2
287.02661	1.1
287.05618	8.9
297.04028	6.2
298.04626	1.1
299.05411	1.9
301.03452	3.6
303.05072	8.3
305.06601	13.4
306.07034	1.6
309.04034	1.7
313.03366	1.1
319.04498	3.9
320.04446	1.2
321.02667	1.5
323.05585	0.9
327.05005	1.3
335.05484	1.4
337.07101	1.1
344.39249	0.9
379.08231	1.8
397.09543	0.9
405.06082	7.6
406.06796	1.7
411.07370	2.2
421.05743	2.4
423.07181	79.5
424.07498	7.0
435.07306	3.7
439.07239	1.1
441.08304	4.7
447.07129	7.5
453.08234	1.8
455.06079	0.9
457.07596	3.4
465.08328	8.8
466.07877	0.9
483.09241	3.7
555.09448	1.8
573.10400	12.4
575.07916	4.6
591.11426	18.3
592.11481	2.8
593.09314	7.2
594.09778	1.3
609.12476	8.3
610.12292	1.9
617.09082	1.4
623.14355	1.3
635.10529	2.8
743.12421	1.9
761.13312	9.9
762.13464	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	905.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
62.68391	0.4
63.57843	0.4
65.00316	0.5
66.01304	0.4
69.34634	1.5
69.35063	2.0
90.67606	0.4
93.03447	0.7
96.23331	0.4
98.20722	0.5
99.04485	2.4
103.17683	0.5
107.01396	2.1
109.02981	0.6
124.01646	1.7
125.02442	4.6
137.02457	1.4
151.00360	4.2
152.01062	0.5
155.03496	1.3
163.00394	0.6
164.01199	1.2
169.01453	6.3
173.04527	0.9
177.01918	0.5
178.99884	4.0
203.03546	0.5
214.02696	4.6
215.03281	0.7
221.34729	0.4
221.37502	0.4
227.03537	0.9
242.02177	4.4
243.03000	2.2
259.02432	3.6
270.01642	4.4
271.02472	27.0
272.02805	1.9
287.01968	14.6
288.02606	1.9
316.02225	80.1
317.02853	16.5
318.03387	0.5
343.06516	0.5
422.11920	0.4
425.10883	5.2
479.08279	100.0
480.08691	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	911.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	1.3
66.56676	1.2
69.03436	1.2
70.97202	1.2
71.32594	2.2
75.29301	1.1
81.03473	2.2
83.01385	1.3
83.05025	2.6
90.63026	1.0
93.03450	3.9
96.96019	2.8
97.02956	1.8
107.01379	9.7
109.02956	1.9
111.04535	8.8
121.02958	56.7
123.00914	2.1
124.01692	1.3
125.02451	45.8
137.02437	1.6
151.00352	6.7
154.28157	1.1
155.03453	13.4
163.00345	1.4
169.01425	84.5
170.01744	2.0
173.04561	21.6
178.99844	3.9
201.50546	1.3
216.16919	1.6
227.03438	2.2
243.03027	3.7
254.02193	1.5
255.02965	8.9
269.07333	1.2
270.99716	1.8
271.02463	26.3
272.02933	1.9
277.07220	1.8
287.01852	4.8
295.08258	7.2
300.02747	45.6
301.03461	24.8
315.98853	2.1
316.02200	21.7
317.02954	2.7
325.05664	23.9
366.17462	1.2
432.86508	1.3
447.09299	92.8
448.09531	9.0
463.08807	100.0
464.09241	11.6
602.25677	1.3
755.65179	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	0.5
69.03448	0.4
76.88038	0.4
81.03468	1.1
83.00964	0.4
83.01392	1.9
84.62500	0.3
85.02930	0.7
89.02431	0.5
93.03472	0.6
95.01385	0.7
95.05028	0.7
95.52024	0.3
96.96014	0.8
97.02970	0.6
99.00881	0.5
102.02952	0.4
105.03486	1.7
109.02958	1.2
113.02459	0.8
121.02972	0.7
123.00890	1.2
124.01633	1.0
125.02449	100.0
126.02756	2.3
133.02959	0.9
133.66098	0.3
137.02449	5.0
139.04034	1.4
149.02432	0.9
151.00380	0.9
151.04030	1.4
155.69582	0.3
159.04535	0.4
161.02444	34.2
162.02824	2.0
164.01147	0.6
165.01880	2.2
167.03490	2.7
169.01425	40.2
170.01779	1.7
175.03996	0.9
177.01932	1.0
177.05559	2.3
179.03494	1.9
183.04601	0.4
193.01434	3.9
197.06065	0.6
201.05539	1.6
203.03500	0.5
213.05573	0.5
219.06602	1.9
225.05492	0.8
227.03497	0.8
229.01494	1.0
239.08585	0.4
243.06673	0.9
253.06041	0.5
267.07535	0.5
269.04547	4.8
270.05038	0.5
275.01941	1.4
275.05093	0.3
287.02094	2.3
287.05551	11.3
288.06076	0.6
305.06644	7.9
309.08795	0.6
320.99072	0.6
321.02524	6.0
329.15851	0.4
331.04712	1.3
439.06680	12.1
440.06961	1.2
457.07730	7.5
458.07791	0.6
552.12531	0.5
567.54114	0.4
609.08862	63.4
610.09180	9.0
761.09869	7.2
762.10724	1.2
881.30206	1.5
913.31390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	1.3
69.40368	3.7
69.40782	1.6
83.01385	1.0
96.96023	1.0
98.19975	1.6
107.01392	2.7
109.02925	0.8
116.28517	0.7
121.02972	0.9
123.00891	0.8
125.02439	11.4
137.51648	0.8
151.00360	7.2
163.00310	1.4
167.03528	1.1
169.01433	12.2
177.01874	1.1
178.65089	0.7
178.99927	3.3
199.03909	0.9
211.02408	0.8
216.04242	0.8
243.03023	4.0
243.05267	0.7
255.02986	10.5
271.02435	19.5
272.02991	2.5
283.02612	1.0
297.33569	0.7
299.01917	0.8
300.02756	52.2
301.03491	30.4
302.03720	1.3
313.05676	1.5
413.72821	1.0
463.08762	12.8
464.09286	1.0
488.25705	0.8
615.09875	100.0
616.10150	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	905.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36797	1.0
69.45994	1.6
69.46394	4.5
83.01385	1.5
96.96041	1.0
107.01405	2.9
108.02192	1.0
109.02966	4.5
121.02968	1.3
123.00916	0.9
123.04493	1.3
124.01743	0.8
125.02444	26.6
126.02786	1.2
129.71960	0.7
132.84390	0.8
137.02452	2.9
138.01944	1.4
149.02470	1.0
151.00363	8.7
159.04582	1.2
163.00337	1.8
164.01224	1.0
165.01889	0.9
169.01424	39.8
170.01746	1.1
178.99847	5.0
183.02997	0.7
187.04024	1.0
193.01369	2.3
203.07115	2.3
205.04965	1.1
212.88469	0.7
214.02782	1.3
227.03313	1.0
243.02968	4.4
244.03627	1.0
245.04501	1.1
245.08188	2.8
254.02185	0.9
255.02960	10.5
256.03323	0.9
259.02515	1.5
270.01868	1.1
271.02469	29.8
271.05887	1.8
272.02914	2.0
273.04077	1.1
287.01968	4.0
289.07162	12.8
300.02756	44.5
301.03491	24.6
302.03879	1.6
315.98535	1.0
316.02231	19.5
317.02902	4.8
346.09195	0.8
359.85309	0.7
440.96191	0.8
441.08215	17.4
442.08582	1.8
452.08200	1.0
463.08823	100.0
464.09189	11.3
513.02734	0.7
615.09503	1.0
677.34094	0.9
751.19360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00344	2.5
67.01894	1.9
69.03447	1.7
71.01388	4.9
83.01399	3.6
83.05010	1.7
85.02954	4.8
93.03471	1.2
95.01408	8.3
96.96016	2.6
97.02930	2.7
98.19851	2.9
99.04530	1.5
106.97123	1.1
107.01383	12.7
107.05081	1.1
109.02963	4.1
111.00863	2.9
113.02458	2.6
117.31707	1.2
121.02960	2.3
123.00883	21.5
125.02449	90.9
126.02769	2.8
127.00344	1.3
127.04023	7.0
135.04498	1.1
136.98773	1.7
137.02437	2.4
139.00365	4.9
140.01138	4.4
141.01967	1.5
151.00378	8.8
161.02437	1.5
163.00394	2.1
163.03996	3.8
163.07727	1.4
165.01863	2.0
166.99873	7.7
167.03508	1.6
168.00648	5.5
169.01422	100.0
170.01756	3.6
171.25447	1.1
173.06018	1.7
177.02005	2.8
178.99854	3.1
179.03369	1.0
179.10754	1.8
189.02003	1.6
189.05559	1.8
191.03540	1.4
193.01428	1.9
202.35619	1.2
206.02170	1.8
207.03004	9.0
217.05156	2.5
229.27089	1.2
235.06145	3.1
255.03000	3.1
261.03925	2.3
271.02411	4.0
272.02792	1.2
279.05093	15.6
280.38336	1.3
297.06247	5.9
300.02701	4.0
301.03561	9.3
374.16135	1.5
412.60898	1.5
431.05804	1.3
433.07593	2.0
449.07239	12.1
457.50079	1.2
471.36465	1.4
601.08356	36.6
602.08673	5.4
751.12042	5.4
859.30481	3.8
903.12524	30.4
903.40094	2.8
903.96680	1.7
904.12158	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	901.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96221	5.3
68.97939	2.7
70.77339	8.8
71.01379	23.0
73.02936	3.7
79.95740	11.8
81.03443	3.1
83.05038	5.0
85.02931	4.6
87.00873	5.4
87.33522	3.4
89.02444	12.5
96.96004	7.5
97.02946	5.6
101.02426	13.2
102.21438	2.7
107.01337	3.1
113.02437	8.8
113.49114	3.1
116.92823	4.0
119.03489	3.9
125.02452	46.6
137.02441	5.9
149.02385	3.6
151.04099	3.2
161.02412	4.0
161.04486	4.1
165.12869	8.2
167.03522	7.3
169.01405	28.3
170.01901	3.3
177.01878	13.1
179.05812	2.8
179.12257	2.8
180.00629	3.1
183.13901	43.4
184.14215	3.5
184.68716	3.2
195.13884	7.3
209.11830	28.7
211.13336	7.8
223.13380	4.0
227.12900	12.6
235.08235	4.2
275.20059	5.0
291.19586	3.9
293.21222	63.7
309.20605	7.1
397.13617	19.6
415.14395	7.2
462.64673	3.2
489.22910	2.9
777.39398	4.1
901.47913	100.0
902.48236	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5128
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98531	10.7
67.82336	9.4
71.01378	43.7
73.02882	9.4
76.90060	9.6
79.95743	12.2
80.96531	17.1
85.02957	10.5
86.67306	10.3
87.00922	9.4
89.02438	31.7
93.03490	9.9
95.01389	9.1
97.02925	9.6
101.02462	22.8
116.92910	10.4
125.02442	100.0
125.09731	11.3
126.02825	9.9
137.02440	10.2
167.03519	16.3
169.01436	59.3
171.10294	20.1
177.01984	17.2
199.13403	12.3
201.11278	65.2
209.11815	88.2
211.13516	10.7
225.11218	28.5
227.12814	11.6
229.53099	9.9
277.21664	63.7
290.09332	10.3
291.19586	13.5
293.21204	23.3
294.21521	14.3
397.13632	50.8
415.14575	14.6
622.25714	11.1
780.37372	10.1
902.47937	36.4
913.34808	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	903.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02394	1.1
65.00322	1.9
65.03979	0.4
65.83010	0.2
66.86163	0.2
67.01884	1.7
68.86617	0.2
68.99828	0.6
69.03453	1.6
71.01379	1.2
71.05018	0.3
72.99323	0.6
72.99922	0.2
73.02930	0.3
79.01888	2.3
81.03470	1.4
83.01396	1.6
83.05022	1.6
85.02949	3.5
87.00904	0.4
89.62976	0.2
91.01863	0.4
91.05532	0.4
92.52501	0.2
93.03485	0.9
95.01389	8.5
95.02005	0.5
96.01720	0.2
96.99337	0.3
97.02943	1.9
99.00909	0.3
99.04521	1.1
101.02463	0.2
107.01389	13.8
107.04998	0.4
108.01649	0.3
108.02271	0.3
109.02962	3.4
110.00091	0.3
111.00886	2.9
111.04500	0.7
119.01372	0.4
119.05033	1.1
121.02972	2.3
123.00888	23.2
124.01722	1.9
125.02448	79.4
126.02795	1.9
127.00369	0.8
127.04013	7.7
128.04376	0.3
131.05083	0.3
133.02985	0.3
135.00903	0.4
135.04524	1.1
136.98795	1.4
137.02455	0.8
139.00372	5.3
140.01173	3.9
141.01970	1.2
143.05029	0.3
145.02985	0.8
145.05014	0.2
145.06625	0.4
146.03789	0.3
148.01700	0.3
149.02446	1.0
149.06094	0.3
151.00365	10.6
151.03937	0.4
153.01939	0.6
154.99890	0.3
159.04425	0.3
160.48877	0.2
161.02448	0.8
161.06078	0.6
162.03220	0.9
163.00359	1.4
163.04012	4.1
164.01079	0.4
164.13016	0.2
165.01971	0.5
166.02614	0.3
166.98448	0.5
166.99861	8.6
167.03545	0.4
168.00638	6.2
169.01424	100.0
170.01759	3.4
171.04503	0.6
172.82777	0.2
173.02495	0.3
173.06042	0.8
174.03232	0.6
175.03984	0.9
177.01950	0.9
177.05629	0.6
178.02539	0.4
178.99857	2.9
179.03470	0.6
179.07072	0.6
181.05060	0.3
183.04564	0.3
187.03999	0.4
188.04718	0.3
189.01942	0.3
189.05560	2.5
190.02742	0.3
191.03517	1.7
191.05035	0.3
191.07146	0.9
192.00636	1.0
192.04176	0.2
193.01428	2.7
199.04031	0.7
201.05649	0.6
203.03459	0.3
205.01401	0.4
205.05008	0.3
206.02188	1.8
207.02974	9.5
207.06633	0.7
208.03360	0.5
209.04559	0.4
211.02319	0.4
211.04056	0.7
215.03400	0.3
217.01273	0.2
217.05019	2.7
217.44258	0.3
218.05493	0.3
219.03023	0.4
220.03712	0.2
221.00903	1.4
223.02512	0.3
227.03491	0.9
228.04309	0.3
229.05174	0.5
229.07507	0.3
233.04570	0.8
235.02396	0.6
235.06113	3.5
237.04103	0.4
243.03000	1.3
245.04509	0.7
251.05565	0.5
255.02977	3.0
256.03403	0.3
261.04092	1.7
262.04703	0.2
263.05615	0.7
271.02463	4.7
272.02905	0.3
273.04120	0.4
279.05090	16.5
280.05466	1.2
281.06693	1.4
283.02371	0.2
297.06140	6.5
298.06381	0.4
299.01956	1.8
300.02740	4.2
301.03506	9.8
302.03815	0.6
321.02545	0.8
431.06259	1.3
432.06644	0.4
433.07666	2.4
449.07269	8.8
450.07794	1.0
557.08923	0.5
601.08325	35.8
602.08575	5.6
733.10840	1.0
751.11511	5.7
752.11627	1.0
799.45020	0.2
903.12573	27.8
903.95618	0.5
904.12909	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	900.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98544	5.6
63.99244	7.6
71.01387	30.7
73.02930	4.5
78.98595	9.8
79.95748	26.7
80.96514	84.2
83.01300	3.0
85.02938	3.4
87.00888	4.2
89.02451	5.7
90.64254	2.7
94.98083	22.5
96.96008	6.6
97.02976	5.4
101.02433	6.4
113.02399	3.2
121.02957	3.8
125.02482	15.1
134.97559	9.4
148.99185	5.8
152.98621	9.5
164.98593	19.4
169.01428	5.5
181.12323	3.2
201.11391	3.4
206.99658	4.1
207.10240	5.0
225.00758	35.2
225.11304	6.8
243.55867	3.1
255.23286	3.4
277.21686	10.6
293.21234	3.1
293.90393	3.0
300.15936	4.3
397.13394	3.8
400.12244	2.9
468.19781	3.3
611.80243	3.0
856.45367	11.1
857.45654	5.1
900.47815	100.0
901.47778	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98526	41.2
71.03519	76.0
76.32108	41.3
80.96541	68.3
94.98076	41.8
501.54678	39.3
504.17728	36.0
901.50256	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	901.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.5
70.91268	1.4
70.91585	1.1
71.01387	18.8
72.99316	1.9
73.02937	1.7
74.76255	1.1
75.85238	0.9
81.03452	1.6
81.34129	1.0
83.01390	1.4
83.05038	5.9
84.02158	1.9
85.02946	4.1
87.00877	4.4
89.02444	10.6
91.54480	1.0
95.01382	1.6
96.96018	7.5
96.97007	1.2
97.02943	2.5
97.06613	3.3
99.04552	1.3
101.02454	10.0
108.63102	1.1
109.06633	1.3
109.16724	1.1
110.50639	1.0
113.02454	6.9
116.92886	1.3
119.03502	4.1
125.02450	13.1
126.90351	1.0
131.03473	1.0
143.03506	2.4
161.04559	3.9
163.11276	4.5
165.12846	2.8
166.34991	1.1
167.03484	1.7
169.01414	4.8
171.10300	4.8
171.43834	1.0
177.01952	2.8
179.05597	3.2
181.12422	1.1
193.12395	3.5
195.13928	6.3
197.11751	2.6
199.13419	1.9
207.10567	1.2
209.11833	84.9
210.12187	5.6
211.13399	13.6
219.71225	1.2
221.06755	1.3
223.13316	5.9
225.14943	5.7
227.12912	12.4
228.13286	1.1
235.08142	6.4
243.16022	2.4
249.99429	1.0
253.09344	7.7
275.20206	5.8
287.07736	1.3
291.19601	6.7
293.21228	100.0
294.21588	8.7
302.25079	1.1
305.08774	1.2
309.20682	10.0
310.21100	1.5
341.23306	36.4
342.23724	2.4
379.12567	3.9
397.13489	36.4
398.13806	3.2
415.14566	13.6
463.52298	1.1
492.46289	1.3
577.32892	1.3
581.62561	1.0
665.46704	1.6
691.34802	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	899.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00310	0.9
70.06231	1.7
71.02296	0.4
74.02465	1.2
83.01381	0.9
100.45578	0.4
107.01377	1.6
108.02190	1.0
109.02961	0.9
116.05061	0.7
121.02997	1.0
125.02440	11.2
133.24374	0.5
135.00874	0.5
137.02397	0.5
139.03975	0.6
148.01698	0.6
151.00343	7.5
161.02448	2.4
163.00351	1.7
165.01953	0.4
167.03448	0.7
169.01419	11.9
177.01767	0.4
178.99872	3.4
179.03467	0.5
187.03844	0.4
193.01413	0.6
203.03505	0.5
203.08223	1.2
211.04002	0.7
226.02768	0.9
227.03450	1.3
228.11812	0.4
243.02940	5.1
245.04393	0.6
245.09351	2.4
254.02182	1.5
255.02966	15.1
256.03433	1.0
256.48367	0.4
271.02454	31.1
272.02890	3.1
273.03976	0.6
283.02509	0.7
287.05594	1.3
299.01981	0.8
300.02734	63.6
301.03430	27.7
302.03873	2.1
305.06628	1.3
319.93396	0.5
321.02411	0.6
439.06644	1.4
447.09219	2.7
448.09885	0.6
449.06659	0.5
457.07864	3.8
609.14655	100.0
610.14990	14.9
855.66846	0.5
866.23230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98516	37.9
70.07769	49.5
70.08167	41.4
75.00896	30.1
78.91884	100.0
80.96498	41.5
85.51981	25.8
94.98103	33.8
97.07832	27.4
98.20564	30.8
109.69883	23.2
117.14070	22.0
139.49646	22.2
162.47316	25.7
217.48456	23.8
257.20276	27.2
266.01862	22.2
402.93750	23.8
454.09598	22.8
874.97626	27.9
901.28046	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98540	43.9
79.95733	37.6
80.96498	100.0
101.02430	29.5
148.79553	29.2
190.69006	32.7
243.00795	36.5
301.82867	36.5
900.46234	69.6
901.45905	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98507	5.9
63.20538	6.9
63.99250	7.1
71.01379	34.2
78.95899	8.7
79.95711	8.4
80.96499	14.9
85.02908	7.7
89.02414	14.1
96.95997	5.8
99.00865	8.9
101.02468	10.3
125.02464	33.6
125.09692	5.9
139.53946	6.6
139.54947	6.3
149.02388	6.0
163.03894	5.8
163.11278	11.0
169.01366	19.2
171.10240	14.6
181.12297	7.9
197.11763	7.3
207.10150	18.7
225.11270	24.1
243.12303	7.9
274.91275	5.8
277.21683	30.7
309.99802	5.9
326.86658	5.8
339.16229	5.7
370.26254	6.0
397.13303	18.4
472.28159	7.0
741.43286	7.2
900.46802	13.1
901.47485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
68.66056	11.8
71.01383	11.7
71.53081	14.9
71.53483	12.1
72.99317	25.7
75.00865	100.0
80.87038	12.9
81.04913	10.4
81.91179	10.8
96.19246	12.4
96.85356	13.8
96.95917	10.9
99.31081	14.0
133.93538	11.6
139.53816	10.8
153.85355	10.7
277.21671	21.7
327.22067	15.0
333.39435	13.1
421.01349	12.1
472.07983	12.8
898.49469	17.2
899.48346	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	898.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94868	9.2
69.95899	25.2
69.96312	15.6
71.01389	28.5
72.99310	33.1
73.14426	8.0
75.00867	100.0
78.91898	15.5
80.96552	7.3
97.44788	8.0
149.07042	7.6
158.31137	7.6
192.33865	8.7
208.48042	9.3
241.14418	15.7
255.23395	18.3
277.21701	19.8
304.75098	9.6
330.78745	9.4
336.54559	8.4
386.44363	8.7
488.34143	9.6
898.50330	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	898.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
64.36813	7.2
71.01369	13.4
71.09767	15.2
75.00868	100.0
80.96528	8.1
88.89046	8.5
89.02435	9.8
110.62827	7.9
125.02457	13.7
166.45746	8.5
221.11839	18.5
225.11220	9.8
277.21741	15.2
293.21271	21.7
310.21185	8.7
362.34933	8.4
730.56488	10.0
846.93658	10.1
898.45685	10.9
899.46161	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	897.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	2.4
71.01380	100.0
71.52151	1.4
71.52566	1.5
72.01730	2.4
72.99316	3.3
73.02953	6.1
75.00870	36.4
75.61929	1.3
80.96490	1.9
81.03448	2.2
83.01388	2.6
83.05013	3.5
85.02968	7.7
87.00864	7.3
89.02441	18.0
97.02962	7.6
99.00876	2.6
101.02447	20.2
109.06607	5.9
111.04512	1.8
113.02436	13.7
119.03487	4.5
125.02432	9.8
125.09669	2.2
127.11298	2.8
129.01936	1.9
139.04077	1.2
141.01984	2.2
142.02811	1.3
143.03448	3.5
161.04558	4.3
163.11250	2.2
171.10269	51.8
172.10605	2.4
177.12807	2.1
179.05592	6.0
195.13861	3.9
199.09747	10.9
201.11324	15.4
207.10269	18.6
209.11928	1.4
221.06728	2.0
221.11832	18.8
222.12221	2.0
225.11345	9.9
225.73076	1.4
235.08292	6.5
239.12866	11.1
243.12424	2.0
253.09248	3.4
255.23283	65.8
256.23621	5.7
277.21619	13.4
278.22000	1.6
293.21155	2.3
309.20529	2.1
312.99945	1.5
379.12521	5.9
397.08289	2.2
397.13489	44.3
398.13931	2.1
415.14575	9.2
605.24066	1.7
623.25397	2.7
637.27466	3.0
861.49139	10.4
862.48804	3.5
879.50067	2.4
897.50049	18.5
898.50732	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	897.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	6.2
71.52390	5.2
73.99547	3.8
89.02472	7.6
111.64749	3.9
125.02433	17.4
167.03485	4.2
169.01376	10.7
195.13875	12.3
214.10719	3.6
221.15402	5.9
223.13339	20.0
224.13623	4.0
239.16518	6.5
253.09273	28.2
291.19672	37.0
292.19952	8.4
293.20993	19.1
309.20709	100.0
310.21027	10.2
323.23282	3.7
380.58224	3.9
397.13416	9.4
545.29388	8.4
887.37988	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	895.518
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	50.4
79.95729	13.2
80.96519	14.0
82.74680	2.7
89.26263	2.9
94.98114	4.2
96.96957	16.4
96.97494	3.3
97.06563	5.7
98.02019	3.0
131.26402	2.9
134.17422	2.7
152.99594	7.0
171.10265	9.0
193.12337	6.2
223.00294	3.1
225.00787	4.4
225.14940	11.9
241.01157	28.9
255.23273	34.7
274.94379	2.8
341.23355	12.3
381.17468	3.2
442.81253	2.9
895.52045	100.0
896.52228	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	897.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
68.22070	2.3
69.55949	6.0
69.56345	13.5
71.01385	29.1
73.02948	3.6
75.00903	15.4
80.96472	2.9
82.68439	2.3
85.02965	6.5
87.00864	7.0
89.02433	9.3
96.84954	2.6
97.02940	2.7
101.02428	12.5
101.76721	2.4
113.02479	4.5
115.40810	2.8
116.92872	2.9
119.03479	2.3
121.09212	2.4
125.02459	4.9
126.47327	2.8
171.10251	5.8
177.12752	6.7
179.05591	3.8
195.13881	40.1
201.11168	2.8
221.06856	2.8
221.11809	5.5
228.33400	3.0
239.12903	4.1
255.23282	7.2
277.21732	35.4
293.21243	6.0
324.48755	2.8
327.23788	2.3
397.13409	14.7
415.14563	3.1
897.48450	100.0
898.48553	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	897.485
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	2.7
71.01383	14.5
71.05013	0.7
72.99289	1.0
73.02946	2.4
81.03446	0.6
83.01380	1.4
83.05034	0.7
85.02947	3.3
85.06608	0.4
87.00875	3.1
89.02444	12.4
90.51763	0.3
91.56576	0.3
92.38257	0.2
93.03436	0.4
95.01384	1.5
95.05032	0.5
97.02953	2.2
98.19820	0.6
99.00874	1.1
99.07001	0.3
101.02446	11.6
109.06545	0.4
111.04489	0.4
111.08143	0.4
113.02440	5.3
119.03495	2.7
121.02940	0.4
125.02444	5.1
125.09741	0.5
131.03514	0.8
133.05113	0.3
134.45372	0.3
139.04013	0.3
143.03493	1.6
145.05045	0.4
149.04477	0.4
149.09715	0.6
161.04543	2.4
167.03510	0.5
167.10764	2.4
169.01413	0.7
177.12851	1.0
179.05620	4.3
179.10794	1.2
179.14403	2.6
181.12326	0.3
195.13896	14.2
196.14391	0.7
205.12317	7.7
206.12682	0.4
211.13419	0.7
221.06612	1.6
223.13383	65.6
224.13742	4.3
225.14932	0.8
228.13739	0.4
229.46115	0.3
231.21091	0.3
235.02681	0.3
235.08214	3.1
250.15440	0.3
253.09242	1.0
253.11601	0.3
256.13217	1.2
259.08044	0.3
263.07730	0.6
265.14285	0.4
265.21802	0.6
275.20132	4.8
276.20520	0.6
277.45844	0.3
287.07770	1.0
291.19540	0.4
293.21219	100.0
294.21548	8.2
305.08789	1.3
317.21002	0.5
323.09857	0.9
379.12375	2.7
397.13498	32.5
398.13916	2.6
415.14560	12.0
416.14825	0.9
499.34244	0.6
581.30273	0.3
603.26617	2.9
604.26746	0.5
621.27704	8.1
622.27930	1.4
673.34509	1.3
691.35413	2.5
897.47723	1.5
898.49951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01402	0.9
71.53102	0.7
72.99310	0.8
86.64328	0.6
87.00875	2.0
87.63687	0.5
88.00397	3.7
88.98808	100.0
89.02445	25.6
89.03011	1.0
89.99166	0.9
90.55956	0.5
159.62842	0.5
194.04843	0.6
195.76439	0.6
200.32106	0.5
209.11771	3.5
227.12999	0.7
237.14905	0.8
255.23260	2.7
264.85873	0.5
293.21301	1.5
370.96103	0.6
379.11987	0.8
397.13504	1.8
598.26794	0.6
741.13556	0.7
847.38428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	3.6
71.01385	10.7
72.99301	7.6
83.01357	2.8
83.05016	2.6
84.54781	2.0
85.02987	2.8
89.02448	6.0
97.06582	6.4
98.20644	7.0
98.44692	2.0
101.02448	6.7
111.08147	10.3
113.02430	3.5
119.03466	1.9
123.04504	2.8
125.02435	2.4
125.09680	4.8
137.09705	3.2
151.11269	4.0
154.76567	2.4
161.04532	2.3
163.11250	5.6
165.12816	5.7
169.01456	3.3
169.12354	6.1
181.12366	4.9
185.11768	2.3
191.14380	4.6
197.11835	74.1
199.13448	4.2
207.10342	3.0
209.11821	21.7
211.13350	11.0
225.11331	2.7
227.12834	5.7
235.08156	5.8
237.11266	3.3
241.55020	2.7
245.19066	14.3
253.09296	26.8
255.23334	3.3
263.20059	14.9
271.17084	3.8
289.18094	69.1
290.18387	7.3
291.19635	29.0
307.19144	78.9
308.19476	8.6
309.20703	100.0
310.21091	9.9
445.20596	5.2
493.69510	2.2
543.28162	8.3
545.29871	4.1
557.65210	2.6
737.40564	3.6
835.48218	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	895.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	3.6
71.01385	10.7
72.99301	7.6
83.01357	2.8
83.05016	2.6
84.54781	2.0
85.02987	2.8
89.02448	6.0
97.06582	6.4
98.20644	7.0
98.44692	2.0
101.02448	6.7
111.08147	10.3
113.02430	3.5
119.03466	1.9
123.04504	2.8
125.02435	2.4
125.09680	4.8
137.09705	3.2
151.11269	4.0
154.76567	2.4
161.04532	2.3
163.11250	5.6
165.12816	5.7
169.01456	3.3
169.12354	6.1
181.12366	4.9
185.11768	2.3
191.14380	4.6
197.11835	74.1
199.13448	4.2
207.10342	3.0
209.11821	21.7
211.13350	11.0
225.11331	2.7
227.12834	5.7
235.08156	5.8
237.11266	3.3
241.55020	2.7
245.19066	14.3
253.09296	26.8
255.23334	3.3
263.20059	14.9
271.17084	3.8
289.18094	69.1
290.18387	7.3
291.19635	29.0
307.19144	78.9
308.19476	8.6
309.20703	100.0
310.21091	9.9
445.20596	5.2
493.69510	2.2
543.28162	8.3
545.29871	4.1
557.65210	2.6
737.40564	3.6
835.48218	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	889.5153
Annotation	Divinylchlorophyll a
Peak:m/z	Relative Intensity
61.98832	20.9
63.18760	2.0
69.03434	2.1
71.01383	17.8
71.44557	2.8
72.99281	2.2
73.02946	3.0
80.96529	2.4
89.02444	13.0
101.02432	12.9
106.33209	2.3
112.71062	2.6
113.02431	5.0
119.03493	3.9
125.02431	2.6
129.23337	2.0
133.75725	2.5
165.12785	4.1
166.71870	2.2
179.05527	2.6
183.13907	44.3
184.14259	2.4
227.12944	2.9
227.19963	2.4
235.08115	2.5
241.14459	14.5
277.21719	16.8
281.24872	62.0
282.25281	4.8
397.13739	11.8
415.14224	2.6
427.72794	2.1
681.44116	2.4
889.51666	100.0
890.51953	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	891.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
68.18869	2.6
71.01372	4.3
83.05031	2.5
85.02937	3.3
89.02469	2.9
99.30540	2.6
101.02450	4.4
107.98892	2.5
111.08126	3.4
123.01810	2.5
125.02423	10.0
128.28287	2.4
145.04955	2.6
147.79532	2.3
161.04527	2.8
169.01418	8.2
171.10219	13.0
195.13866	5.5
197.11708	3.0
209.11813	24.5
211.13359	4.8
227.12901	7.1
229.14319	3.9
235.08211	13.3
253.09309	29.2
291.19647	100.0
292.20016	10.7
293.21246	29.6
294.21521	4.3
305.17233	2.7
307.19086	2.7
309.20618	10.9
321.53616	3.0
327.21750	83.7
327.25720	4.2
328.22049	5.5
329.42593	2.5
406.95102	2.7
412.50766	2.5
451.73709	2.5
527.28656	6.4
769.44556	3.7
805.41760	6.0
891.49152	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	893.49
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	10.3
72.99306	11.4
78.95881	4.5
83.05025	4.7
87.47840	3.9
89.02451	5.1
97.06608	8.4
101.02418	10.3
109.06643	4.1
113.02414	4.2
125.09740	4.6
150.39478	4.1
162.03242	3.5
163.11165	4.5
165.12817	10.9
168.55861	3.5
177.74539	4.0
179.10716	4.6
185.11757	4.6
191.10794	7.3
191.14372	10.7
207.10338	5.1
209.11844	38.3
227.12764	4.9
235.08211	6.9
245.19084	17.2
253.09175	17.4
255.23372	5.9
263.20099	17.2
265.49588	3.8
289.18082	70.9
307.19183	100.0
308.19510	8.5
402.47205	4.1
439.85089	4.3
445.20630	10.7
543.28156	5.3
833.46680	6.9
893.49811	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	889.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	18.6
62.81083	3.0
71.01378	21.0
71.55018	2.5
73.02938	3.5
81.03445	4.2
83.01435	3.3
85.02944	5.3
87.00854	5.4
89.02453	20.0
91.25383	2.7
97.02936	5.0
101.02432	12.0
113.02438	10.2
119.03484	3.0
125.02441	10.0
127.11298	3.0
143.03470	3.5
161.04507	4.5
171.10269	100.0
172.10570	5.3
179.05656	6.0
184.14285	2.8
209.11777	7.8
217.90259	2.8
221.06659	3.0
235.08186	7.7
245.19002	3.1
253.09471	3.9
263.20660	3.2
266.25009	2.8
277.18826	5.8
277.21713	68.9
278.22052	7.1
289.18008	10.1
291.19568	11.8
307.12747	3.6
307.19232	6.1
379.12421	18.2
397.13452	49.1
398.13547	5.0
415.14331	6.9
431.91882	2.9
527.62067	3.2
675.36249	7.1
889.48535	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	25.4
67.79330	3.1
70.04087	6.1
70.04474	7.1
70.21143	3.2
71.01386	27.9
78.95887	3.4
83.01375	4.1
85.02944	7.6
87.00870	7.6
88.67669	3.1
89.02464	21.6
90.00015	3.5
97.02956	6.2
97.06557	3.6
101.02436	14.9
113.02456	8.7
119.03539	5.3
125.02454	12.1
137.07321	3.2
153.21544	3.3
161.04565	5.2
165.66251	4.0
171.10268	100.0
172.10608	5.2
179.05600	4.4
203.64221	3.7
209.11803	13.9
235.08224	7.4
253.09415	5.2
273.14703	3.8
277.21747	70.4
278.22040	12.4
289.18170	12.6
291.19745	16.8
307.19141	7.4
336.83856	3.5
362.49078	4.0
379.12674	16.0
397.13513	48.5
415.14532	12.6
889.49622	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	889.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	53.7
71.53348	11.8
89.02445	12.0
116.54354	11.4
116.92863	12.1
125.02435	49.0
159.80086	11.0
169.01459	13.2
171.10333	16.2
197.11839	61.1
200.93237	11.0
209.11810	25.5
227.12862	11.6
234.96490	11.3
253.09267	63.3
289.18161	56.3
291.19604	45.9
293.21252	65.3
307.19174	48.6
309.20645	100.0
341.23282	48.1
423.93753	11.0
529.30066	15.4
568.55145	12.9
889.49750	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	81.0
63.84275	11.2
69.80825	32.8
69.81221	23.1
70.43091	12.0
88.98814	21.1
98.20542	14.7
101.02452	19.2
116.92871	86.0
125.02446	79.0
137.02365	16.4
139.48346	11.7
141.58121	12.3
153.09184	17.1
167.03484	20.9
169.01384	39.3
171.10214	25.0
173.17894	14.7
177.01952	17.6
197.11792	37.3
209.11797	28.7
253.09351	33.5
286.57904	13.3
289.18121	29.4
291.19577	17.9
293.21277	23.4
307.19232	100.0
309.20621	64.7
325.20181	27.5
327.21765	47.3
335.06622	10.8
353.31897	11.4
374.28870	11.6
391.70511	12.9
543.28149	40.2
605.66309	12.9
835.48303	44.1
836.49445	17.6
853.49615	24.4
889.48059	78.3
890.46600	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	18.2
90.09772	4.2
92.46036	5.0
99.92614	9.8
101.02486	6.1
106.96492	5.8
116.92078	7.6
116.92862	100.0
117.92836	7.6
118.64587	5.4
125.02463	32.8
153.09212	5.8
167.03448	10.0
169.01434	17.6
171.10251	11.7
176.35356	4.8
177.01944	9.4
179.05331	6.1
193.01385	5.3
207.16504	4.6
209.11813	22.2
227.12831	11.3
229.64052	5.8
253.09282	13.0
289.18134	12.6
291.19720	21.8
307.19138	63.8
308.19556	8.3
309.20721	77.6
310.20920	5.1
325.20126	32.6
350.41644	5.0
543.28143	34.4
544.28754	5.7
693.40082	6.4
835.48419	39.3
853.48798	16.9
889.47253	35.0
890.47986	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	887.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	3.0
67.01875	1.4
69.03454	1.9
69.23647	3.8
69.24068	3.5
69.94182	0.8
71.01369	2.5
72.99323	1.4
79.01881	1.0
81.03443	0.9
83.01402	1.2
83.05022	1.5
85.02953	4.6
92.34546	0.8
93.03452	1.0
95.01392	7.4
96.95980	1.9
97.02957	3.5
99.04514	2.5
100.18202	0.8
107.01400	9.4
109.02927	2.1
111.00881	1.3
116.55396	0.8
119.05014	1.2
121.02949	1.2
123.00881	21.2
124.01708	0.7
125.02444	75.5
126.02766	2.1
127.04018	8.7
135.04381	0.9
136.98796	0.9
137.02431	1.2
138.99457	0.8
139.00374	5.0
140.01146	3.2
141.01895	0.8
145.02959	0.9
145.06598	1.1
151.00349	5.2
151.03986	1.0
153.01868	1.0
161.02437	0.8
162.03177	1.0
163.00317	0.8
163.03984	3.0
166.99867	7.4
168.00641	5.1
169.01418	100.0
170.01781	3.8
174.84538	0.8
177.01981	1.6
189.05573	1.6
191.03447	1.2
191.07204	1.1
192.00569	0.9
193.01430	2.8
206.02219	1.2
207.02986	10.7
207.06573	0.8
217.05043	2.3
221.00873	1.9
229.05051	2.0
235.06097	4.8
255.02888	0.9
261.04028	2.2
279.05099	22.5
280.05362	1.7
285.04102	7.1
297.06134	6.2
321.02628	1.5
408.65930	0.7
431.06216	2.1
433.07666	4.5
449.07220	10.5
450.07471	1.9
601.08356	51.0
602.08447	7.3
648.96332	0.9
735.11993	4.7
735.23279	1.0
887.13373	15.2
888.13416	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	885.522
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	18.9
62.41137	1.6
65.37025	1.3
66.35078	1.4
68.20147	1.7
69.03468	4.9
71.01395	17.9
71.52704	2.2
72.79208	1.4
73.02911	3.1
80.02700	1.8
80.42666	1.3
81.03475	4.5
83.01392	6.6
83.05036	4.8
84.02167	8.1
85.02964	4.8
87.00871	4.1
89.02456	13.1
95.01434	1.7
95.05040	3.7
96.96022	12.5
96.96963	2.0
97.02960	6.1
97.06596	11.1
101.02438	16.1
102.05652	1.9
109.03056	1.5
110.78992	1.4
111.08173	4.5
113.02463	8.3
116.92802	2.6
119.03489	3.7
123.04528	3.4
123.08130	1.7
124.01648	1.8
125.02451	23.1
125.06064	2.2
125.09732	10.5
128.03535	2.5
128.07182	2.0
129.31288	1.5
137.09709	3.4
143.03503	2.1
146.04564	5.4
151.11356	2.0
153.09277	1.5
161.04552	6.9
163.00270	2.0
163.11330	7.5
165.12822	4.9
167.03485	3.7
167.10802	3.1
169.01442	17.5
169.12363	2.2
170.01846	1.7
171.10257	25.3
177.01865	5.1
179.05511	4.6
181.12244	1.7
183.13907	2.4
185.11795	10.1
191.10759	2.5
191.14444	3.4
193.12381	8.2
197.11829	15.1
207.10234	2.5
209.11826	90.1
210.12170	5.3
211.13399	15.6
221.06548	2.3
225.11394	1.9
225.14963	14.9
226.12093	2.9
227.12898	12.9
235.08249	8.8
237.08841	1.7
237.11263	2.2
239.12907	2.1
241.14441	18.9
243.15970	6.9
245.19209	11.5
253.09277	24.6
263.20071	3.7
277.21704	30.7
278.21979	2.0
289.18085	45.3
290.18500	3.5
291.19693	11.9
293.21188	13.2
305.06351	2.6
307.19159	30.8
308.19431	3.4
309.20749	15.2
341.23328	100.0
342.23730	10.4
379.12427	5.2
397.13535	24.0
415.14517	7.1
514.51752	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	886.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98542	0.2
80.96500	0.3
86.67068	0.1
98.19849	0.3
132.11356	0.1
153.22925	0.1
161.10576	0.1
183.38257	0.1
351.22311	0.1
887.48779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.131
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.4
65.03947	0.4
67.01888	2.0
68.99812	0.5
69.03458	1.7
70.56042	0.9
71.01385	1.1
71.61131	0.3
72.99300	0.6
79.01884	1.8
81.03445	1.8
83.01388	0.8
83.05022	1.4
85.02954	3.3
87.00883	0.6
91.05529	0.3
91.65282	0.2
93.03471	0.7
95.01378	6.9
97.02943	2.2
99.04494	1.3
107.01386	11.1
109.02953	1.9
110.00082	0.3
111.00889	2.5
111.04515	0.8
116.33289	0.2
117.03481	0.7
119.05033	0.9
121.02940	0.3
123.00883	20.9
124.01727	2.1
125.02441	77.9
126.02800	2.2
127.00345	0.6
127.04005	8.9
133.02885	0.2
133.81053	0.3
135.00882	0.3
135.04520	1.0
136.97798	0.3
136.98784	1.4
137.02454	0.5
139.00380	4.9
140.01157	3.6
141.01947	1.4
143.05049	0.6
145.02939	0.8
145.06671	0.3
149.02455	0.5
151.00363	4.1
151.03970	0.5
153.01945	0.9
157.06564	0.3
159.04550	0.6
160.01653	0.3
161.02419	0.5
161.06116	0.5
162.03210	0.8
163.00377	0.6
163.03989	3.6
164.01106	0.5
165.01906	0.5
166.02657	0.3
166.99832	8.2
167.03435	0.4
168.00636	5.5
169.01411	100.0
170.01753	3.2
173.00032	0.3
173.06070	0.8
174.03261	0.4
175.03940	0.4
177.01932	1.2
177.05429	0.4
178.02719	0.3
179.03448	0.4
179.07094	0.7
181.05289	0.3
183.94107	0.3
185.06096	0.4
185.98619	0.3
187.03993	0.7
189.01898	0.4
189.05544	2.2
191.03470	1.2
191.07121	0.9
192.00635	0.9
193.01430	1.8
193.05054	0.4
197.06174	0.3
201.53348	0.3
205.01349	0.3
205.05136	0.4
206.02185	2.3
206.40541	0.3
207.02974	9.5
207.06357	0.5
208.03323	0.5
211.02298	0.6
211.04106	0.5
213.05521	0.5
217.05037	2.8
219.03052	0.5
221.00928	1.2
223.02441	0.4
227.03448	0.9
229.04984	2.4
233.04509	1.1
235.02528	0.6
235.06082	3.6
237.04037	0.8
239.03604	0.3
241.05067	0.5
251.05623	0.6
255.02904	1.2
256.03613	0.4
257.04538	0.7
261.04062	1.4
263.05515	1.0
269.43686	0.3
279.05075	21.5
280.05460	1.3
281.06546	1.6
283.02664	0.6
284.03329	1.5
285.04022	7.2
286.04251	0.8
297.06137	6.3
298.06488	0.4
321.02454	1.6
427.33386	0.2
431.06100	2.4
432.06766	0.7
433.07608	3.9
434.07510	0.6
449.07208	13.2
450.07364	1.4
557.09265	0.7
601.08307	53.7
602.08643	8.7
717.11115	0.8
718.11017	0.5
735.11969	4.1
736.12750	0.6
887.13123	14.3
887.98358	0.5
888.13464	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	885.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	8.7
67.01850	0.5
69.03438	0.9
71.01379	15.7
71.53725	0.7
72.99303	1.5
73.02952	2.4
78.95914	0.8
80.02673	0.8
80.96523	1.3
81.03455	2.4
83.01377	2.4
83.05034	6.0
84.02161	0.9
85.02955	3.5
87.00869	3.6
89.02447	13.3
95.01392	1.3
95.05029	0.8
97.02953	2.6
99.00878	0.8
101.02444	12.3
109.06548	0.7
111.08141	0.6
113.02454	6.0
113.08714	0.5
119.03490	3.5
125.02451	5.9
125.09746	0.7
131.03516	0.7
133.05092	0.5
135.08177	0.6
137.02515	0.6
141.01936	0.6
143.03508	2.7
145.05023	0.7
149.04597	0.7
161.04572	2.9
163.11287	5.6
165.12839	2.7
169.01463	1.0
179.05600	3.9
181.12352	0.8
191.10759	1.6
199.13486	1.1
207.10255	1.5
208.10612	0.5
209.11819	100.0
210.12138	6.0
211.13400	0.7
217.07196	0.5
221.06627	1.7
225.00821	0.8
225.11346	0.9
227.12862	14.1
228.13271	0.6
235.08232	4.9
241.14500	3.5
251.12885	0.6
253.09270	2.3
263.07553	0.7
277.21716	43.7
278.21982	3.8
286.60175	0.5
287.07684	1.2
287.16537	1.5
289.18060	2.2
291.19638	2.9
305.08765	1.7
305.17612	3.5
307.19189	1.3
323.09842	1.4
324.96521	0.5
341.23398	0.9
379.12372	5.9
397.13498	31.5
398.13834	2.9
415.14594	8.2
416.14929	0.6
607.25928	0.9
712.65088	0.5
885.47284	3.9
886.46954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	33.3
69.03462	4.1
71.01379	17.9
71.52554	4.2
73.02924	3.8
78.95906	9.3
79.95749	4.5
81.37407	3.1
83.01417	3.6
83.05026	3.8
85.02946	5.9
89.02435	6.5
95.05035	3.6
96.96014	100.0
96.96964	9.6
97.02887	4.1
99.04514	4.8
101.02436	10.6
106.99129	3.0
107.05098	3.9
113.02438	6.4
123.00874	4.7
125.02464	29.7
125.06081	9.4
125.09704	8.4
127.07658	4.5
127.11320	7.2
128.03520	3.3
137.02390	4.3
139.07643	13.0
143.03421	3.8
153.09215	15.0
155.10860	3.9
163.11253	6.3
165.02113	3.4
167.03502	5.5
169.01457	17.3
169.08717	10.4
171.10280	60.7
177.01950	9.9
185.11783	5.7
191.14394	5.0
193.12439	4.9
197.11792	13.1
201.11302	71.6
202.11566	3.2
209.11810	64.6
211.13428	8.8
213.11453	3.5
227.12926	5.3
228.58051	3.9
235.08298	7.2
235.49855	3.9
245.19037	4.6
253.09326	25.5
289.18021	16.1
293.21198	3.6
305.17587	15.0
305.20825	4.1
306.07507	7.5
307.19138	73.4
308.19641	6.5
309.20670	6.9
323.18756	3.9
325.20175	31.4
341.23444	24.0
357.22662	4.2
369.65585	3.4
371.53601	3.3
508.95438	3.6
520.95856	4.0
541.26587	4.3
543.28369	23.1
543.36401	4.6
593.12762	3.8
727.39301	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	885.483
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47320	0.3
61.98828	100.0
62.98543	0.4
62.99278	0.3
63.99246	0.5
64.18662	0.3
70.29909	0.9
71.01382	5.1
72.99300	0.4
73.02944	0.9
79.45677	0.3
80.96489	0.3
83.01388	0.4
85.02947	1.1
87.00864	0.8
89.02453	4.0
94.90983	0.3
95.01424	0.4
97.02941	0.6
99.00866	0.5
101.02457	2.8
113.02454	1.3
119.03488	0.5
125.02451	0.9
154.70718	0.3
161.04550	0.8
162.00687	0.3
165.12903	1.4
179.05605	0.7
183.13887	11.3
184.14093	0.4
203.33179	0.3
209.11774	0.3
221.06602	0.5
227.12852	1.0
235.08308	0.4
250.37311	0.3
277.21722	11.6
278.21973	1.1
382.71698	0.3
397.13486	2.6
415.14597	0.7
517.97986	0.3
607.25592	0.4
625.26855	0.7
885.48444	23.4
886.48602	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	885.4821
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.79145	0.3
61.98829	100.0
62.98530	0.5
63.99239	0.7
71.01379	6.7
72.99328	0.4
73.02956	0.8
74.92570	0.3
80.96529	0.5
83.01398	0.6
85.02966	1.2
87.00869	1.1
89.02440	5.4
95.01423	0.4
97.02962	1.1
98.19829	0.4
101.02438	4.2
103.16562	0.3
113.02446	1.8
119.03510	1.1
125.02449	1.1
143.03462	0.6
161.04550	0.7
165.12790	2.1
179.05588	0.6
183.13895	13.2
184.14186	0.6
208.30270	0.3
209.11794	0.4
221.06593	0.5
227.12851	1.1
235.08177	0.8
277.07849	0.3
277.21713	15.1
278.22073	1.3
340.29489	0.3
397.13507	4.3
415.14420	1.1
416.14636	0.3
439.80539	0.3
557.29236	0.3
607.26001	0.5
625.27063	0.6
867.47363	0.4
885.48456	29.8
886.48798	7.6
902.66125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98549	0.2
69.51603	1.1
78.91906	0.8
78.95913	0.2
79.95735	0.2
80.96545	0.1
84.39720	0.1
88.02864	0.2
96.96011	0.4
98.20792	0.3
142.06712	0.2
277.21844	0.2
278.93210	0.2
648.64545	0.2
885.47119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98513	0.2
68.55389	0.2
70.53156	0.2
71.01385	1.2
71.09574	0.2
73.02934	0.3
79.95744	0.3
80.96519	0.6
85.02988	0.2
87.00880	0.5
89.02441	0.9
97.02977	0.3
97.06600	0.2
98.19746	0.3
99.00896	0.3
101.02460	0.6
104.92586	0.2
109.06603	0.2
113.02481	0.6
115.00416	0.2
121.08711	0.2
125.02472	0.6
126.90439	0.2
136.56949	0.2
151.62877	0.2
161.04590	0.2
163.11331	0.5
169.01430	0.4
171.10252	0.2
175.02548	0.3
179.05544	0.3
199.13438	0.4
207.10246	0.9
208.10550	0.3
209.11807	4.0
225.11314	0.9
226.11806	0.3
227.12926	0.9
229.90649	0.2
235.08295	0.3
243.12393	0.2
277.21725	3.3
278.22226	0.3
291.19885	0.3
341.23563	0.2
379.12741	0.3
397.13489	1.8
398.14090	0.2
415.14493	0.4
571.40613	0.2
584.89563	0.2
884.47418	1.4
885.47211	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75175	0.1
61.98829	100.0
70.55373	0.2
70.55708	0.2
80.96519	0.1
84.01649	0.1
88.60180	0.1
97.07561	0.1
102.33804	0.1
116.92868	0.7
136.94733	0.1
248.07101	0.1
604.39844	0.1
793.29041	0.1
885.47424	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98537	0.3
63.99248	0.2
64.07457	0.1
71.97031	0.1
76.30299	0.1
76.63932	0.1
80.96523	0.1
98.20752	0.2
101.32041	0.1
111.24765	0.1
116.92888	0.4
133.55142	0.1
229.70992	0.2
682.40314	0.1
701.82745	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	884.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57571	0.1
61.98829	100.0
62.98554	0.1
62.99285	0.1
66.09647	0.1
70.62347	0.1
71.01398	0.4
71.52402	0.1
73.02933	0.1
78.98605	0.1
79.95747	0.1
80.96490	0.3
85.02966	0.1
87.00865	0.1
89.02431	0.4
97.02946	0.1
101.02456	0.2
113.02453	0.2
115.07563	0.1
124.02924	0.1
125.02436	0.2
138.55237	0.1
165.12798	0.1
183.13893	1.2
199.13428	0.1
209.11868	0.2
225.00876	0.2
227.12822	0.1
260.45877	0.1
277.21725	0.7
291.19980	0.1
293.21320	0.1
311.18582	0.1
350.36655	0.1
397.13632	0.3
885.48199	2.4
885.64679	0.1
897.77716	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	883.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98527	0.8
63.99265	0.8
70.57662	0.4
71.01396	1.2
72.91094	0.4
80.96529	0.5
85.02968	0.9
89.02447	0.7
101.02503	0.7
102.01760	0.4
171.10286	3.0
175.39629	0.4
211.13423	1.3
229.14453	0.6
235.08260	3.4
253.09398	3.0
277.21716	13.8
278.22150	1.2
309.20886	1.3
327.21820	10.3
328.22104	1.1
347.27454	0.5
545.29913	0.8
555.65167	0.5
563.31268	0.5
870.89783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.67526	0.1
62.98526	0.3
63.99254	0.9
71.01405	0.2
79.95746	0.3
80.96500	0.6
90.24937	0.1
94.98077	0.2
98.20679	0.3
114.96642	0.1
125.02405	0.2
141.63394	0.1
199.13388	0.2
216.19456	0.1
227.12854	0.2
229.33369	0.2
270.15591	0.1
277.21692	0.4
360.40903	0.1
397.13510	0.3
884.47516	0.6
885.47528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.99268	0.1
69.93956	0.5
71.01370	0.1
101.02449	0.1
183.13820	0.2
245.82994	0.1
277.21738	0.2
409.70847	0.1
885.47974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98536	0.1
69.24363	0.2
69.24765	0.5
71.01389	0.2
89.02472	0.1
95.71598	0.1
125.02432	0.1
175.02496	0.1
207.10329	0.3
207.87479	0.1
225.11383	0.2
240.91548	0.1
277.21844	0.2
323.22366	0.1
340.38376	0.1
341.23434	0.2
883.46851	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	883.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98532	0.6
63.99252	0.5
69.48315	0.2
71.01399	0.5
73.02964	0.2
79.95729	0.2
80.96497	0.2
85.02972	0.5
89.02470	0.5
97.02972	0.3
101.02415	0.3
102.11964	0.2
103.44138	0.2
108.09033	0.2
114.91346	0.2
123.47845	0.2
138.16943	0.2
171.10271	0.8
207.10205	0.3
211.13527	0.5
229.14499	0.3
235.08237	1.5
253.09286	1.3
277.21710	6.2
278.22192	0.6
291.19736	0.3
293.21237	0.3
309.20740	0.8
327.21729	3.6
328.22192	0.2
350.96918	0.2
545.29883	0.2
611.97290	0.2
883.46326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.70553	0.1
71.01403	0.3
80.96519	0.2
85.02958	0.2
89.02464	0.2
101.02459	0.3
127.89355	0.1
161.04500	0.1
171.10297	0.2
205.12387	0.1
223.13327	0.7
224.13748	0.2
235.08275	0.4
253.09323	0.4
277.21719	2.0
278.22089	0.3
291.19601	0.2
293.21262	0.3
294.21548	0.3
307.18411	0.1
309.20728	0.3
327.21796	0.8
397.13657	0.3
398.14206	0.2
639.15436	0.1
883.46039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98533	0.2
63.06812	0.1
65.14378	0.1
70.52322	0.2
70.52690	0.2
71.01373	0.1
80.96592	0.1
85.02969	0.2
89.02428	0.2
101.12983	0.1
126.89393	0.1
171.10289	0.4
211.13394	0.3
235.08188	0.2
253.09338	0.4
277.21744	1.4
291.19464	0.1
293.21408	0.2
294.21671	0.2
295.22562	0.1
309.20721	0.4
327.21783	1.3
411.20999	0.1
545.30548	0.1
563.31177	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
61.99157	4.8
66.00375	2.4
70.47388	9.0
71.01381	4.3
72.99335	3.1
75.00878	45.3
78.95901	22.1
79.95734	5.2
81.55798	2.3
90.32618	2.6
96.96956	4.6
119.64522	2.5
125.09689	2.6
137.09700	3.6
139.37759	2.5
152.99565	3.6
155.29823	3.0
163.11214	2.8
170.24602	2.3
171.10301	5.9
176.67896	2.4
211.13370	3.7
229.14342	3.9
241.01208	9.2
245.19211	2.7
255.23288	10.3
265.91949	2.5
277.21710	40.2
278.22083	3.8
287.88141	3.2
289.18140	12.8
307.19086	10.6
327.21619	3.3
548.00464	3.2
695.69354	3.7
881.50171	31.0
882.50568	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	882.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98540	0.2
71.22150	0.1
78.95921	0.6
96.96952	0.2
140.99905	0.1
143.46635	0.1
152.99631	0.2
171.10358	0.2
171.29343	0.1
175.46750	0.1
194.30571	0.1
241.01244	0.2
249.71783	0.1
255.23404	0.3
277.21844	0.3
281.94370	0.1
291.82126	0.1
317.14816	0.1
327.21890	0.2
353.55569	0.1
882.50586	1.2
883.51349	0.2
899.18109	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.53568	0.6
64.38799	0.8
65.92645	0.6
68.10531	0.7
69.21184	3.4
69.21618	4.0
71.01376	4.6
75.06741	0.7
78.95878	0.9
83.29072	0.7
87.00904	1.3
89.02440	1.8
97.02982	0.8
101.02453	2.5
111.08164	2.8
112.98864	1.1
113.02476	1.6
114.36965	0.7
115.00400	1.6
119.03479	0.9
125.02448	1.4
142.99866	1.7
146.48723	0.8
161.04538	1.1
169.12358	1.5
173.01097	0.8
174.01732	2.1
175.02530	1.4
181.12440	1.0
183.71062	0.7
195.13942	2.1
197.11824	12.3
201.11336	5.0
209.11790	7.1
211.13379	8.0
223.13399	2.4
227.13016	1.1
235.08217	1.4
253.09244	10.3
254.09862	0.9
255.23201	3.8
261.57806	0.8
263.20319	1.0
275.20255	1.6
275.97946	0.9
277.21747	5.4
290.86429	0.8
291.19638	4.2
293.21228	24.1
293.24399	1.6
294.21588	3.3
309.20697	18.7
309.24222	1.3
310.21039	1.7
342.70413	0.9
397.13593	4.4
480.12903	1.0
545.29980	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.01392	2.3
71.26979	0.7
71.52532	1.2
76.46806	0.8
80.96515	1.5
83.05062	0.7
89.02438	1.3
97.06622	1.0
101.02460	1.8
101.39101	0.7
153.09251	2.3
171.10313	1.8
205.03760	0.8
209.11794	4.2
223.13300	1.1
235.08250	2.0
253.09340	2.5
277.21722	26.0
278.22165	2.1
289.18283	2.5
307.19180	8.4
325.20276	3.0
329.92050	0.8
350.87323	0.8
397.13794	0.9
543.28149	1.4
671.56232	0.8
803.49493	3.8
804.50500	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.527
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
69.03448	2.2
71.01386	25.8
72.99300	2.9
73.02945	4.3
83.01376	3.0
83.05037	5.5
85.02985	2.8
87.00865	7.3
89.02442	23.5
95.01418	2.6
95.04976	2.5
97.02965	6.8
97.91672	1.8
98.19749	4.3
99.00924	3.6
101.02450	21.8
109.33568	2.3
113.02454	8.1
119.03506	6.1
125.02451	9.2
125.09773	4.3
127.11351	4.0
137.09680	2.4
142.99922	3.4
161.04581	6.0
163.11336	3.8
165.12840	5.0
171.10277	6.5
174.01717	2.1
175.02423	3.2
179.05585	5.6
181.12297	2.6
195.13861	5.3
197.11813	10.1
201.11308	60.9
202.11699	3.4
209.11821	80.0
209.25620	2.1
210.12317	2.4
211.13309	12.3
223.13466	4.2
225.11180	2.5
227.12859	13.5
229.80670	2.7
235.08232	8.6
247.20712	4.4
249.05878	2.0
253.09285	30.6
255.23286	67.3
256.23608	5.3
275.20032	8.8
277.21716	6.4
289.17947	2.6
291.19684	30.3
292.20193	2.7
293.21234	67.4
294.21622	5.7
309.20706	70.3
310.21106	9.4
379.12411	10.7
397.13492	55.2
398.13818	5.3
415.14706	11.0
532.28644	2.0
585.41901	3.4
653.37488	6.7
881.49915	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	881.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	30.2
68.92350	0.5
69.03434	3.2
71.01382	21.2
71.05014	0.7
71.54671	0.8
71.55068	0.7
72.99299	1.7
73.02948	3.0
75.00872	1.1
80.50051	0.5
81.03441	1.1
83.01381	2.1
83.05062	0.7
85.02947	4.9
87.00877	4.8
89.02445	18.4
90.02715	0.6
95.01383	1.8
97.02933	3.4
97.06599	0.7
99.00864	1.2
101.02448	16.3
109.02928	0.8
109.06545	0.7
113.02444	9.0
115.03998	0.5
119.03507	4.4
120.13846	0.5
123.00830	0.6
125.02448	7.6
127.07570	0.7
131.03510	1.0
131.65561	0.6
139.04027	0.6
141.01872	0.5
143.03534	3.0
149.04492	0.7
161.04561	4.0
167.10754	2.9
174.48402	0.5
179.05617	5.4
179.10788	0.7
179.14420	2.8
180.05710	0.6
195.13876	8.5
195.35185	0.6
197.11865	0.7
199.06142	0.6
205.12320	8.2
217.07141	0.9
221.06700	2.1
223.13379	100.0
224.13737	6.7
235.08209	5.6
235.17000	0.6
253.09204	1.1
255.23541	0.5
277.21716	62.9
278.22086	5.6
287.07724	2.0
291.19598	0.9
293.21222	2.1
295.22852	0.7
305.08786	1.9
309.20819	1.2
323.09720	1.4
338.62436	0.5
379.12424	7.0
388.15424	0.5
397.13480	46.1
398.13843	3.5
415.14560	9.6
416.14737	1.5
424.90356	0.6
425.02814	0.6
578.32465	0.7
603.26605	5.5
604.26831	1.1
621.27448	5.3
622.28156	1.0
675.35846	1.1
725.33679	0.6
760.82129	0.7
881.49799	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	881.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.01392	2.3
71.26979	0.7
71.52532	1.2
76.46806	0.8
80.96515	1.5
83.05062	0.7
89.02438	1.3
97.06622	1.0
101.02460	1.8
101.39101	0.7
153.09251	2.3
171.10313	1.8
205.03760	0.8
209.11794	4.2
223.13300	1.1
235.08250	2.0
253.09340	2.5
277.21722	26.0
278.22165	2.1
289.18283	2.5
307.19180	8.4
325.20276	3.0
329.92050	0.8
350.87323	0.8
397.13794	0.9
543.28149	1.4
671.56232	0.8
803.49493	3.8
804.50500	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	879.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	25.9
69.03458	1.8
71.01379	23.0
73.02940	2.8
82.88224	1.4
83.01365	1.9
85.02973	2.5
86.67628	1.5
87.00848	3.7
89.02442	7.1
95.01368	2.3
95.05033	1.7
97.02953	4.2
97.06605	4.1
99.00848	1.7
101.02453	7.9
109.06595	2.4
113.02429	4.9
121.06536	1.9
125.02411	2.3
125.09698	7.1
137.09668	3.3
141.12810	1.8
143.03473	1.7
161.04532	2.7
163.11267	8.8
171.10240	8.1
179.05649	2.4
181.12354	3.1
185.11786	6.7
191.14421	8.3
195.13884	6.0
197.11815	2.6
201.11282	3.4
206.07286	1.6
207.10239	6.8
209.11790	12.4
211.13283	1.9
223.13388	4.8
225.11339	9.9
235.08159	6.2
237.11258	4.8
245.19154	15.1
253.09311	23.8
255.23291	18.2
256.23767	3.2
263.20187	3.8
271.16965	2.9
272.17493	1.7
275.20132	5.7
289.18097	81.2
290.18411	6.1
291.19662	4.8
293.21225	100.0
294.21558	9.8
307.19144	65.8
308.19431	7.4
309.20609	2.8
339.31674	1.5
397.13513	8.0
452.84174	1.6
556.95087	1.7
800.56122	1.7
819.48230	2.0
879.48907	14.4
880.48730	4.0
912.06451	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	879.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	6.2
63.96229	1.7
70.74232	2.3
70.74577	3.2
70.86707	1.6
71.01392	10.1
78.95901	7.4
78.98590	9.0
79.95729	23.5
80.96514	100.0
85.02965	3.7
87.00885	3.9
94.98085	21.5
101.02419	4.2
106.98098	3.2
121.67803	1.5
122.97581	5.0
125.02471	4.6
134.97566	5.8
136.99147	2.9
142.03333	1.6
148.99135	6.8
152.98601	8.4
161.04576	1.8
164.98633	15.6
206.99687	4.0
225.00749	28.7
241.01204	2.0
255.23311	5.8
313.31100	1.8
376.84671	1.8
401.37848	1.6
425.70538	1.6
727.91296	2.2
861.47467	2.2
879.51245	97.6
880.51611	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	24.2
71.01384	11.1
75.71092	1.9
83.01386	2.4
85.02953	3.9
87.00858	2.2
89.02436	6.8
97.06607	4.8
101.02407	6.0
113.02428	5.5
116.31102	2.7
125.02425	5.4
151.11243	4.0
161.04640	3.1
165.12790	6.3
171.10295	11.4
176.47882	2.0
181.12315	4.7
191.10805	3.8
195.13866	9.5
205.12238	2.3
209.11844	20.7
210.12184	2.8
211.13322	4.5
223.13327	6.0
225.11285	4.5
225.51840	2.4
227.12807	5.1
235.08223	3.0
245.19046	5.9
245.51495	2.5
253.09254	15.1
255.23216	10.0
256.13101	2.9
263.20099	12.8
275.20203	7.1
279.19675	3.7
289.18130	14.4
291.19690	5.1
293.21222	100.0
294.21481	9.3
307.19104	51.3
308.19479	4.8
309.20801	4.0
379.12515	2.8
381.46259	2.4
397.13504	6.1
418.18414	2.4
445.20773	13.7
525.27594	4.5
543.28082	14.3
543.35443	2.6
721.41675	5.3
819.49268	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	879.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	15.5
62.49783	1.9
69.24901	1.6
69.31607	14.2
71.01051	1.8
71.01373	11.1
83.05028	2.6
85.02953	2.2
87.00836	2.2
89.02450	6.3
95.04997	3.0
97.06593	6.6
101.02428	6.9
102.58582	1.5
113.02419	3.5
125.02442	4.0
129.02135	1.8
153.09311	2.0
161.04497	4.3
162.41101	1.8
163.11255	2.5
165.12872	4.1
167.10713	2.5
171.10292	9.3
179.05550	2.2
179.14450	2.4
181.12311	5.9
195.13864	8.0
201.11264	2.1
207.10233	1.8
209.11839	19.3
211.13371	3.1
220.81161	1.8
223.13464	4.2
225.11292	5.2
227.12836	7.0
228.13087	2.2
235.08177	5.8
240.17430	2.6
245.19083	3.6
253.09236	15.1
255.23271	13.3
263.20117	13.4
275.20139	5.1
289.18124	13.3
291.19693	2.5
293.21231	100.0
294.21567	10.6
307.19177	45.0
308.19409	4.3
379.12534	3.3
397.13412	9.5
445.20697	7.9
470.22748	2.4
525.26642	3.2
529.30383	2.0
543.28424	8.8
721.41882	3.9
819.48578	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	873.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	42.3
66.54198	9.4
68.58885	8.7
69.40455	41.7
69.40882	42.8
69.43329	12.6
71.01398	10.3
74.16168	9.0
122.42992	12.6
171.10326	21.6
189.54913	11.2
196.79732	12.1
235.08192	28.0
253.09293	23.9
277.21658	100.0
294.62924	11.4
333.94592	10.7
341.23169	93.6
355.67398	12.0
363.35239	11.7
466.67502	11.5
540.65771	10.9
577.30231	11.8
592.75922	11.7
775.29816	15.6
873.50836	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	26.7
63.49922	1.7
66.00826	1.8
69.55992	1.7
70.53017	3.0
70.53372	4.4
71.01376	22.8
71.05013	2.3
72.99331	2.4
73.02951	4.1
85.02950	6.2
87.00877	3.1
87.93071	1.6
89.02441	13.7
95.05023	2.7
97.02948	3.5
99.00891	11.6
101.02451	14.0
109.06560	2.3
113.02439	6.9
117.31998	1.9
119.03503	3.7
125.02436	8.2
125.09721	7.2
125.46034	2.0
127.57365	1.8
145.05162	1.7
161.04593	2.7
163.11288	7.6
169.01335	3.8
171.10225	11.3
179.05609	1.9
181.12363	10.0
197.11842	8.8
199.13377	7.6
201.11429	3.7
207.10280	24.0
208.10706	1.8
221.06685	3.0
225.11324	36.9
226.11696	2.1
235.08189	2.5
243.12439	8.0
253.09335	5.3
255.23276	62.2
256.23523	3.6
289.18082	2.1
291.19681	32.5
292.20090	2.6
293.21161	7.5
309.20624	15.2
379.12534	2.7
383.21201	1.7
397.13504	15.7
415.14764	2.3
463.66885	1.8
527.28259	3.1
605.24292	2.0
623.25812	2.6
703.17413	2.4
713.96472	1.9
819.49432	2.6
861.48645	15.1
862.48840	2.4
879.49646	100.0
880.49945	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	24.0
70.08101	9.7
71.01376	5.3
73.70834	2.4
89.02438	6.0
100.02255	2.4
101.02420	3.5
111.08156	9.0
116.92835	4.0
125.02475	4.5
144.24020	2.9
195.13890	3.0
197.11832	37.1
209.11697	6.0
211.13365	4.0
235.08156	4.7
253.09320	22.2
263.20245	4.8
276.53177	2.6
277.21729	3.9
289.18018	9.4
291.19629	100.0
292.19958	7.0
293.21259	30.3
307.19199	13.8
309.20721	58.6
310.21133	7.2
445.21216	2.9
449.17181	2.4
450.61377	2.8
462.84454	2.6
467.12244	2.5
649.19879	3.0
658.51398	2.9
787.40302	4.4
873.47656	5.3
874.49066	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	873.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	25.9
70.77532	10.4
73.93549	12.5
88.98801	19.9
113.02514	11.7
125.02427	28.7
126.96710	9.2
149.29851	10.2
169.01491	13.7
197.11839	20.8
209.11821	34.4
211.13365	21.0
224.27234	10.9
227.12863	10.3
241.66171	11.7
253.09204	23.7
289.18213	9.7
291.19656	45.1
309.20776	100.0
312.13437	9.9
371.15555	9.4
384.75378	9.2
521.96075	9.5
837.50787	13.3
873.47571	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	9.1
69.33067	27.6
71.01380	3.6
84.92992	3.7
89.02412	5.0
101.02468	3.9
114.93405	6.7
116.92842	5.8
125.02409	4.0
177.02051	3.7
195.14082	4.2
209.11784	5.2
211.13405	7.0
235.08203	5.5
253.09270	8.3
277.21429	3.5
288.77722	3.4
289.17941	5.1
291.19611	46.9
292.20029	4.5
293.21310	4.2
307.19046	11.3
309.20718	100.0
310.20831	9.0
458.13080	3.8
527.28619	5.3
545.29907	23.3
546.29596	5.3
819.48578	6.1
837.50116	24.1
873.47992	15.6
874.48468	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	871.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
63.96238	2.9
71.01395	6.7
71.54914	3.9
71.55312	2.9
78.95908	6.6
78.98609	5.8
79.95717	14.0
80.96519	65.3
80.97004	3.2
83.98108	2.3
94.98090	15.0
99.19401	2.2
99.92567	5.8
120.67835	2.4
125.02464	3.1
134.97522	3.0
148.99159	3.7
152.98573	3.9
152.99753	2.2
164.98660	5.7
225.00706	11.3
242.17590	2.2
300.24265	2.4
315.11737	2.7
383.98465	2.3
436.30609	2.4
811.69562	3.1
871.49036	52.3
872.48914	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	871.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66380	1.7
61.98838	7.7
68.99564	2.7
69.03448	2.4
71.01380	13.6
71.34903	2.8
73.02948	2.0
75.76160	1.6
80.02654	1.9
81.03484	2.0
81.31969	1.6
83.01392	4.3
83.05013	7.3
84.02158	1.9
85.02955	12.8
85.13157	1.6
87.00865	3.4
89.00968	1.8
89.02438	7.3
93.03456	1.9
95.01405	2.5
95.05032	2.4
96.96010	4.6
97.02931	4.0
97.06580	9.4
101.02440	10.1
109.06589	2.2
111.08187	2.4
112.98530	2.3
113.02456	5.2
116.92829	7.5
119.03512	3.3
123.04498	1.6
123.08112	2.0
124.07746	1.9
125.02428	13.0
125.09719	5.1
137.09660	2.0
141.59422	1.6
145.05089	1.9
161.04541	3.7
163.11288	7.1
165.12831	6.2
167.03387	1.9
167.10760	1.9
167.14374	1.8
169.01476	9.0
169.12231	2.3
171.10271	31.8
177.01955	3.0
181.12340	2.8
183.13916	4.0
185.11792	6.0
191.10716	2.2
191.14398	4.8
197.11850	18.3
207.10246	1.9
209.11818	59.5
210.12160	5.1
211.13380	15.3
221.11873	2.3
225.11522	2.2
227.12886	10.4
229.14420	7.5
231.20163	1.6
235.08223	8.0
237.11076	1.6
239.12642	2.6
245.19107	9.4
253.09274	26.0
263.20084	4.8
289.18091	36.6
290.18307	3.9
291.19711	15.7
293.21280	4.2
300.53397	1.7
307.19113	36.7
308.19492	2.0
309.20721	19.0
310.20889	2.3
327.21768	100.0
328.22198	10.5
413.13849	1.9
445.20850	2.4
514.46576	1.7
802.90723	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	870.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98535	0.5
63.99266	0.6
71.01391	0.7
77.04729	0.4
79.95722	0.9
80.96515	4.4
94.98116	0.7
134.97513	0.4
152.98607	0.5
164.98610	0.6
225.00786	0.8
229.13786	0.5
280.52136	0.4
672.83179	0.5
710.58545	0.5
870.47723	3.3
871.48517	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51891	1.7
85.02956	4.1
87.00834	2.6
93.03452	6.8
99.04541	1.6
107.01399	7.6
111.04520	6.0
123.00897	2.5
125.02457	47.9
137.02429	4.1
151.00336	2.5
155.03510	8.1
168.00719	1.8
169.01427	85.7
170.01753	5.0
173.04539	20.1
183.24371	1.4
191.05627	13.8
197.21153	1.5
197.28777	1.5
209.19016	1.3
215.47151	1.6
245.04510	1.7
260.60510	1.5
325.05606	7.6
343.06607	10.9
344.07056	2.0
495.07806	100.0
496.08142	14.8
544.27911	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	871.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
68.99551	5.8
71.01376	6.4
71.55135	1.8
80.96507	2.2
85.02981	2.8
87.00875	2.5
89.02459	3.9
91.02864	1.9
94.65333	1.8
101.02424	6.0
108.39577	1.9
112.98542	3.8
113.02451	3.7
114.93373	2.9
115.00499	2.0
116.92894	2.2
125.02435	3.4
137.18053	2.0
169.01442	1.9
194.86169	1.9
200.19499	1.7
209.11894	3.8
211.13417	22.6
212.13806	9.2
213.13939	3.8
219.14999	2.1
253.09253	6.3
277.21671	14.8
278.22089	11.0
289.18048	12.1
291.19632	41.1
292.20035	3.3
293.21271	3.7
307.19116	12.0
308.19394	2.2
397.13422	7.1
398.13803	5.5
399.13760	4.7
415.14371	2.4
644.28284	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.463
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	30.6
68.97305	6.0
69.51532	48.9
71.01374	24.0
73.07211	6.1
77.85747	7.6
78.95897	9.3
81.10137	7.4
83.01376	9.1
83.05006	9.9
89.02438	11.6
96.96017	26.1
97.06562	11.3
98.20660	6.5
98.95626	8.1
101.02421	14.4
101.69974	6.8
102.62337	6.4
111.08165	15.4
113.02454	9.7
114.05628	7.7
116.92867	27.8
125.02462	44.7
131.04648	8.5
161.02390	6.4
163.11353	9.6
169.01469	19.3
171.10272	51.3
177.01878	8.5
188.67000	6.3
197.11815	32.5
209.11807	100.0
211.13377	14.5
218.69823	7.0
225.14958	8.7
227.12900	12.6
235.08194	8.8
253.09209	39.9
289.18155	49.1
291.19614	78.3
293.21222	11.5
307.19177	8.8
309.20624	44.0
310.21085	8.1
311.22205	29.2
323.22318	9.8
327.21802	21.7
328.22186	7.1
341.23447	26.1
342.23923	16.8
343.24603	23.6
465.86572	7.5
640.21783	7.9
836.50946	10.9
871.45831	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	869.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	17.4
69.03451	3.4
71.01382	7.7
73.02975	1.4
81.03456	1.8
82.22696	0.9
83.01371	2.1
83.05012	1.8
84.02169	1.6
85.02936	2.7
87.00867	3.0
88.85213	0.9
89.02431	6.6
91.76770	0.9
95.01421	1.4
95.05065	1.4
96.96008	2.8
97.02982	2.2
97.06598	8.4
98.20734	2.1
99.91406	1.1
101.02444	7.8
110.35999	1.0
111.08157	7.5
113.02437	4.0
119.03497	1.7
119.44485	0.9
125.02438	4.1
125.09727	3.6
126.90427	1.2
137.09697	1.6
161.04596	2.3
163.11285	1.2
165.12994	1.5
167.10715	1.4
169.01341	1.6
169.12306	1.1
171.10277	14.0
177.02078	1.1
177.12918	1.3
179.10724	1.7
183.13870	1.1
185.11761	1.9
191.10690	1.0
193.12317	9.5
195.13881	6.3
197.11859	2.7
209.11836	5.5
210.12140	2.0
211.13409	9.7
221.11810	1.3
223.13416	1.4
225.14951	16.1
227.12857	1.1
235.08241	2.7
241.14468	8.8
242.14719	1.1
243.16074	6.2
245.19063	1.2
247.20528	1.5
249.73865	1.1
253.09305	20.3
253.14410	1.2
275.20056	3.5
277.21674	4.6
278.21976	1.2
289.18152	3.1
291.19635	73.8
292.19952	7.2
293.21204	19.7
294.21548	1.3
307.19122	2.6
309.20670	2.1
321.20767	1.7
323.22394	1.7
341.23288	100.0
342.23627	10.5
379.12585	1.3
397.13425	4.1
502.36038	1.1
577.32050	1.4
635.82245	1.2
774.49371	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	3.7
69.03450	2.9
70.71504	2.0
70.71862	1.1
71.01380	5.4
73.02927	1.7
75.28071	0.7
78.95908	1.1
83.01397	0.9
83.05011	1.4
84.02151	2.3
85.02957	2.7
87.00878	1.7
89.02438	5.7
95.01386	1.3
95.05024	0.9
96.95995	3.1
97.02950	2.0
97.06590	7.9
99.04491	1.0
99.92553	1.6
101.02442	7.1
109.06535	0.8
111.08164	7.1
111.44334	0.9
112.08575	1.1
113.02438	2.7
116.92860	8.2
117.02048	0.8
117.92822	1.0
119.03496	1.3
119.08651	0.8
125.02422	2.7
125.09670	1.5
127.07603	1.5
137.09743	1.0
153.09280	0.8
153.12682	0.7
161.04491	3.0
167.03484	0.9
169.01431	1.8
169.12300	3.9
169.26645	0.8
171.10263	17.1
177.01884	1.0
179.05551	1.1
181.12299	2.0
183.13837	1.4
185.11830	1.1
191.05586	2.3
193.12354	10.2
195.13788	0.9
197.11826	35.9
198.12151	2.0
199.13329	2.0
209.11784	1.6
211.13402	13.6
221.11687	1.4
225.14952	11.8
226.15425	1.1
227.12903	1.7
235.08298	4.7
243.16057	5.3
253.09274	30.8
253.14397	1.0
263.20099	2.8
273.18475	1.0
277.21594	1.6
289.17874	1.0
291.19647	19.0
292.19824	1.6
308.19431	1.0
309.20703	73.3
310.20969	7.1
323.22305	5.0
327.21732	6.0
328.22113	1.2
341.23312	100.0
342.23615	11.6
397.13281	1.0
475.37961	1.0
498.14633	0.9
508.24860	0.9
545.29590	3.7
577.32202	5.0
633.43573	5.4
634.43561	1.9
869.51514	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	869.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.8
65.53743	0.4
67.05551	0.4
67.61764	0.4
68.95644	0.4
69.03449	1.8
71.01380	6.5
73.02929	1.2
78.95892	0.6
81.03446	0.9
83.01381	0.9
83.05022	1.6
84.02165	3.0
85.02950	1.8
87.00906	0.7
89.02446	5.3
91.03987	0.4
95.01368	0.7
95.05036	0.6
96.95993	2.3
97.02961	2.5
97.06591	7.4
98.20738	0.9
99.04530	1.4
99.92580	0.6
101.02445	5.8
102.05614	0.5
107.04985	0.4
109.06531	0.9
111.08143	6.0
113.02445	2.6
113.60241	0.4
116.92845	3.4
119.03497	1.3
124.82661	0.4
125.02423	2.0
125.06044	0.9
125.09732	2.2
127.07630	0.8
129.01907	0.5
137.09720	1.4
139.07640	0.4
141.09225	0.6
143.03496	0.5
145.06299	0.4
151.11282	0.9
153.09196	0.7
153.12820	0.5
155.10764	0.6
158.86659	0.4
161.04559	2.7
163.11307	1.0
165.12819	1.9
167.10690	0.4
169.01453	1.1
169.08720	0.9
169.12332	2.3
171.08780	0.7
171.10268	14.3
175.11255	0.8
177.01888	0.5
179.05594	1.0
181.12386	1.0
183.13878	1.2
185.11824	1.4
193.12320	11.0
194.12749	0.6
195.13976	0.6
197.11824	28.7
198.12146	1.8
199.13399	2.2
201.11285	1.6
207.13950	0.5
209.11848	2.3
211.13371	9.7
211.15381	0.6
212.13750	0.5
221.11830	0.9
223.13400	0.4
225.11459	0.8
225.14943	12.4
226.15448	0.8
227.12856	1.6
229.14293	0.6
229.34288	0.4
235.08284	2.7
235.13518	0.4
239.12823	0.5
243.15964	6.4
244.16173	0.5
246.18086	0.4
247.20702	1.4
253.09265	30.2
254.09642	1.8
263.20117	1.7
265.18027	0.7
273.18671	1.7
281.06320	0.5
289.18188	0.7
291.19650	19.5
292.20050	1.7
305.17603	0.7
305.21027	0.7
307.19153	1.5
309.20703	64.3
310.21048	6.2
323.22266	1.4
325.20236	1.3
341.23303	100.0
342.23663	9.1
527.28796	0.6
545.29657	2.0
577.32416	3.1
578.32483	0.8
633.43701	5.0
634.44141	1.1
869.51300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85876	1.0
61.98820	2.4
68.99815	1.5
69.03454	2.0
70.23046	1.0
71.01385	18.0
71.18735	1.2
71.54060	1.6
72.99298	5.5
73.02933	4.8
75.00871	16.7
83.01377	1.7
83.05032	1.5
85.02949	18.6
87.00896	5.7
89.02445	3.4
93.75922	1.1
95.01386	6.2
96.96002	3.7
99.00866	8.7
101.02417	2.1
103.00394	1.1
113.02447	17.3
115.00366	2.7
117.01984	2.0
125.02434	9.7
125.09718	3.2
129.01915	1.8
139.03989	1.3
151.00336	1.5
151.04085	1.1
152.01001	1.1
157.01401	1.5
169.01424	6.4
171.10262	4.1
175.02435	2.1
177.01921	3.4
185.11775	1.4
238.46066	1.4
249.06134	5.3
267.07233	2.2
315.42068	1.3
341.23184	5.2
343.59378	1.1
353.23206	4.3
355.24783	4.4
371.24353	7.4
418.05334	1.3
515.28497	2.4
518.02496	1.2
533.29663	6.6
535.20776	1.4
575.30762	2.9
776.49524	1.5
783.36078	1.7
807.36188	1.5
825.37585	100.0
826.38092	23.9
869.36603	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	869.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	13.1
71.01381	10.1
71.05032	1.7
73.02946	2.4
78.95902	0.8
80.02666	1.4
81.03455	2.3
83.01382	1.1
83.05026	6.4
84.02180	1.6
85.02948	4.7
87.00877	2.7
89.02454	5.3
93.03465	1.2
95.05011	3.7
96.96012	4.1
97.02954	1.6
97.06606	2.6
99.04514	2.0
99.08146	1.1
101.02448	6.5
104.56761	0.8
106.04262	0.7
109.02952	1.3
109.06569	1.6
111.00918	1.3
111.04477	0.9
111.08192	1.0
112.05317	2.1
113.02448	3.4
115.07638	3.7
119.03496	2.0
121.02957	1.1
123.04517	2.3
123.08165	2.1
125.02443	3.8
125.06068	1.4
125.09715	8.5
126.28232	0.7
127.07635	6.2
135.08144	3.3
137.02458	0.8
137.09695	1.0
139.07626	2.4
141.09244	1.7
143.07161	1.5
145.05083	1.1
149.02434	0.7
149.06049	1.0
153.09215	23.7
153.12820	0.7
154.09543	1.0
155.10751	3.7
160.74374	0.7
161.04568	2.9
163.07603	1.5
163.11305	6.9
165.12868	4.6
167.03493	0.9
169.01425	1.5
171.10262	39.3
172.10590	1.9
178.09996	3.6
179.05594	1.6
179.10736	1.4
181.12315	1.3
185.11835	12.3
191.10751	3.1
191.14403	3.0
197.11823	14.6
206.65141	0.7
207.10217	1.8
209.11821	76.9
210.12173	3.9
211.13425	2.0
219.10240	1.2
221.11797	1.6
223.13347	1.6
225.11310	1.2
227.12842	2.1
229.44476	1.3
235.08141	5.3
236.10524	1.6
237.11314	0.9
238.12114	2.8
239.12894	1.2
245.19043	4.8
251.16484	0.9
253.09201	9.7
256.13232	0.9
263.20071	2.1
279.19696	2.0
281.21414	1.1
289.18100	20.4
290.18460	1.5
291.19705	1.1
297.20782	2.2
305.17584	3.1
307.19141	100.0
308.19458	8.0
309.20767	2.6
319.19116	1.2
323.18759	0.9
325.20190	41.8
326.20554	3.7
327.22086	3.4
345.20471	1.0
347.22284	1.1
363.96832	0.9
407.19061	1.8
474.21292	0.9
525.27362	3.5
541.26410	0.8
543.28119	26.0
544.28308	3.4
545.29761	0.8
561.28900	5.6
575.64490	0.8
629.31854	1.8
660.36365	0.8
697.38043	2.8
709.38129	2.1
715.38977	1.0
723.39905	1.0
727.38995	1.5
728.40131	0.9
737.40887	1.3
764.39899	2.5
765.40558	0.9
782.40698	4.5
783.42017	1.3
798.21979	1.0
833.47003	8.6
834.47449	2.5
851.47943	10.2
852.48804	2.2
869.48639	5.9
870.49182	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.96235	0.2
68.00376	0.2
71.01384	0.2
76.84443	0.2
78.95925	0.2
79.95752	0.4
80.96501	0.2
96.27390	0.2
114.67878	0.2
166.18126	0.2
208.97002	0.2
209.11885	0.4
244.85715	0.2
249.08955	0.2
255.23203	0.2
277.21786	0.5
278.22079	0.4
397.13287	0.5
630.36688	0.2
738.03406	0.2
868.46332	0.5
869.47217	0.4
892.51740	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.36917	0.1
62.98522	0.2
63.99268	0.3
68.02448	0.1
69.87482	0.5
80.96519	0.1
97.62429	0.1
98.20513	0.2
150.01611	0.1
390.76282	0.1
433.52118	0.1
459.52133	0.1
869.47369	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02387	2.0
65.00329	4.3
83.01389	3.5
105.18964	0.8
107.01381	9.7
109.02951	8.2
125.02450	3.1
131.28395	0.8
135.00873	1.0
137.02438	21.5
138.02798	0.9
151.00363	39.5
152.00710	1.6
157.38440	0.7
163.00383	1.8
165.01961	1.8
167.21126	0.8
169.01395	2.7
178.99850	28.9
192.00580	2.1
193.01376	1.5
227.03380	1.0
232.77303	0.8
243.02911	1.2
245.04591	1.1
261.89188	0.8
271.02463	3.3
287.02130	0.8
316.02139	5.2
317.03009	100.0
318.03375	8.0
382.56766	0.8
424.21146	0.9
479.08389	4.2
631.09338	46.8
632.09796	9.3
685.09796	0.8
763.90131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05785	0.5
66.47564	0.4
69.03452	0.6
69.55733	2.2
71.01384	1.1
79.04764	0.4
81.03444	0.5
85.02937	1.8
86.64623	0.4
94.77071	0.4
95.01400	1.2
97.02921	1.0
98.19937	0.8
101.02428	1.6
107.01388	7.5
109.02944	0.5
109.06577	0.7
110.00138	0.8
111.00858	2.3
111.04533	0.9
113.02440	1.0
121.72295	0.5
123.00877	7.7
124.01674	1.0
125.02446	28.0
126.02756	1.0
127.00332	0.6
135.08086	1.1
136.98776	1.0
137.02432	0.8
137.09720	1.2
139.00383	3.0
140.01158	2.6
141.01941	1.0
151.00362	5.7
163.11185	0.7
166.99792	0.7
168.00626	3.6
169.01424	37.7
170.01791	1.2
177.01915	1.2
177.09207	1.9
191.05656	1.2
192.05957	0.6
193.12325	5.0
194.12547	0.5
211.02382	0.9
211.13345	1.3
223.02550	0.5
235.13492	0.6
253.14456	0.6
313.05688	2.6
345.64441	0.5
357.08203	2.3
375.09314	38.4
376.09726	2.5
440.44427	0.5
453.10266	1.1
509.05798	1.3
527.10394	100.0
528.10712	12.1
652.61108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.01403	0.1
80.96556	0.1
125.02478	0.1
125.09727	0.1
128.19167	0.1
166.79279	0.1
171.10320	0.2
201.11349	0.2
209.11731	0.1
229.30397	0.1
255.23380	0.2
276.69778	0.1
277.21640	0.2
291.19629	0.1
292.19928	0.1
806.77142	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98551	0.2
66.37602	0.1
68.01003	0.1
71.02760	0.2
72.70098	0.1
94.15228	0.1
98.67724	0.1
211.13399	0.8
212.13774	0.2
277.21710	0.7
278.22208	0.5
291.19800	0.5
292.20145	0.4
676.08929	0.1
710.13312	0.1
781.39038	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12606	0.1
61.98830	100.0
62.98536	0.2
63.80653	0.1
66.79488	0.1
80.96526	0.3
98.20637	0.2
126.31177	0.1
176.65952	0.1
273.71143	0.1
277.21896	0.1
291.85947	0.1
292.36639	0.1
336.17535	0.1
379.07758	0.1
393.82910	0.1
655.00360	0.1
866.50726	0.3
867.51013	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98531	0.2
64.96895	0.2
70.28345	0.3
70.28709	0.2
336.83487	0.1
545.44312	0.1
597.53424	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.31600	3.5
69.32016	1.2
78.91895	2.6
78.95921	1.4
80.96510	3.3
85.07182	0.5
94.98106	0.9
183.83047	0.5
196.89352	0.7
257.98282	0.5
375.41626	0.5
869.46088	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	868.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98538	0.2
63.99243	0.1
79.90305	0.1
79.95755	0.2
80.96510	0.1
92.52147	0.1
97.85043	0.1
98.20652	0.3
115.64119	0.1
277.21762	0.2
278.22211	0.1
282.12354	0.1
412.90210	0.1
869.48315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00321	0.5
68.99365	0.3
69.03468	0.3
69.21120	0.8
69.21533	2.2
71.01409	0.5
79.95746	5.4
80.40813	0.3
95.01389	1.2
96.96011	100.0
97.95971	0.6
98.19919	0.6
103.96801	0.3
107.01390	1.3
109.02934	0.7
115.06531	0.3
123.00895	3.5
124.01715	0.3
125.02446	11.0
137.02455	1.5
139.00328	0.5
140.01163	0.3
151.00398	3.2
154.37944	0.3
166.99895	1.5
168.00681	0.7
169.01428	15.8
170.01799	0.4
178.99870	2.5
192.00417	0.4
239.09970	0.3
271.02460	0.3
279.05197	0.4
281.06653	1.0
297.06128	0.7
316.02011	0.4
317.03040	6.2
318.03134	0.4
325.01495	0.4
449.07233	9.4
449.13345	0.6
450.07532	0.8
473.49747	0.3
689.74872	0.3
767.10901	14.0
768.11322	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	865.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.01373	2.5
73.02952	1.4
77.94268	1.3
79.95747	1.4
80.96519	8.7
85.02942	1.2
87.00853	2.1
89.02414	1.7
94.19836	1.4
94.98091	1.5
101.02464	2.4
119.15417	1.3
120.55544	1.2
121.10154	1.8
125.09719	2.6
156.82704	1.5
163.66656	1.3
185.11786	1.4
211.13373	21.6
212.13638	1.5
225.00824	1.6
229.16196	1.6
233.58720	1.3
235.08148	3.1
253.09276	4.6
277.21704	68.5
278.22104	6.2
291.19656	23.6
292.20090	2.7
309.20670	2.1
331.25964	1.3
334.23410	1.3
353.54163	1.3
438.00073	1.5
865.49524	7.9
866.49091	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	866.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.47703	0.8
69.48109	1.6
71.01379	0.4
83.61968	0.3
86.83640	0.3
96.96028	0.4
100.81071	0.3
111.04478	0.3
116.51899	0.3
125.02474	1.3
128.66237	0.3
137.02499	0.4
163.99817	0.4
169.01468	1.2
177.01970	0.7
209.27405	0.4
318.42517	0.3
351.31354	0.4
817.05969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98524	0.2
80.96523	0.3
91.18774	0.1
98.20499	0.6
122.15578	0.1
190.30104	0.1
229.36710	0.1
233.38438	0.1
277.21942	0.1
432.14813	0.1
866.50708	0.4
867.48956	0.1
889.31909	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	863.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	8.8
65.66129	0.6
67.87516	0.6
69.03457	1.2
71.01379	17.4
71.41780	1.3
72.99310	1.4
73.02943	2.5
75.00845	0.8
81.03447	0.5
83.01388	1.7
85.02942	3.3
85.88662	0.5
87.00866	2.3
89.02448	13.6
95.01358	1.1
97.02940	2.4
97.06614	0.7
99.00865	0.9
101.02442	12.5
102.97440	0.6
111.08153	1.4
113.02450	5.9
119.03479	2.6
125.02472	4.1
143.03452	1.3
159.68811	0.6
161.04509	2.1
165.12845	5.4
179.05586	2.0
183.13892	44.2
184.14206	2.5
209.11798	2.1
212.81929	0.6
221.06653	1.6
227.12871	2.8
235.08237	2.3
253.09328	0.7
255.23285	60.2
256.23651	6.8
263.07776	0.7
335.40112	0.6
379.12448	1.6
397.13470	11.1
398.13678	0.8
415.14505	2.4
445.38556	0.5
605.23322	0.7
607.26300	1.1
625.27307	0.8
789.86731	0.6
845.49414	1.2
863.50037	100.0
864.50360	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	9.4
69.03448	1.3
70.94605	2.3
71.01003	1.4
71.01379	21.6
72.99297	2.6
73.02925	3.0
78.95882	0.9
79.72375	1.0
80.96501	0.9
81.03458	1.5
83.01379	2.1
85.02952	3.9
85.68489	0.9
87.00858	3.9
89.02443	16.1
90.21899	1.1
95.01381	1.4
97.02937	3.6
99.00865	1.2
101.02447	12.8
109.02999	1.1
110.08802	0.9
111.08159	1.7
113.02454	6.8
119.03481	2.1
125.02422	2.6
135.77191	1.1
136.41273	0.9
143.03493	1.9
165.12833	6.1
171.61183	1.0
179.05621	1.7
183.13892	47.3
184.14211	2.5
209.11786	2.8
221.06679	1.9
227.12862	3.7
235.08167	2.3
255.23282	71.5
256.23627	6.4
373.62103	1.1
379.12057	1.5
397.13373	10.4
415.14395	1.8
455.76010	1.0
460.53036	1.0
607.25977	1.4
863.50037	100.0
864.50403	30.8
864.63275	0.6
864.67676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	10.1
67.39597	1.1
69.69217	5.4
71.01376	5.4
73.91796	1.2
83.01371	1.4
85.02922	1.7
89.02413	2.3
97.02915	1.3
101.02451	2.6
109.06581	4.4
111.04491	1.6
113.02432	2.4
161.04515	1.6
173.29341	1.2
181.40617	1.0
235.08199	4.5
245.18985	2.8
253.09274	9.7
255.23178	3.5
275.20175	1.5
277.21713	100.0
278.22003	7.1
289.18079	58.9
289.21393	1.7
290.18307	6.8
304.84030	1.1
307.19028	3.6
525.27161	2.4
594.78497	1.3
863.49615	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	863.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98544	2.7
61.98834	36.0
62.77951	2.3
71.00769	6.3
71.01371	4.8
80.96515	11.9
89.02442	3.7
94.98090	3.6
96.85023	2.4
97.02969	2.5
97.79550	2.4
119.02142	2.5
125.09690	2.6
163.79556	2.5
200.74690	2.7
209.11812	4.6
225.00690	4.4
229.32678	2.8
235.08244	7.8
245.19141	4.5
253.09352	6.5
277.21710	100.0
278.21942	9.9
289.18069	27.0
301.39243	2.9
306.91837	3.0
307.19119	29.4
308.19284	3.8
855.12531	3.3
863.48114	21.3
864.48523	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	863.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51231	2.7
78.95902	77.0
81.78199	1.9
83.57048	2.1
96.96975	15.6
98.39626	1.9
101.57220	2.2
111.08157	3.1
152.99586	16.5
197.11862	19.7
211.13478	2.4
223.00052	5.6
241.01184	28.1
243.99452	2.0
247.20697	2.5
255.23293	42.5
256.23615	2.5
259.02264	2.5
272.05197	2.1
291.19669	8.4
309.20770	5.5
352.42188	2.0
391.22549	3.7
419.38632	2.0
553.27802	2.5
607.24207	2.7
757.86792	2.3
863.49200	100.0
864.49200	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	12.9
69.03446	1.2
70.10205	1.5
70.10583	0.7
70.47333	0.3
71.01000	0.7
71.01384	13.9
72.99292	1.7
73.02943	2.1
80.02660	0.9
81.03453	1.7
83.01383	1.9
83.05016	4.2
84.72755	0.4
85.02952	3.7
87.00874	4.1
89.02448	13.6
90.02782	0.4
91.00726	0.4
91.04031	0.5
95.01398	1.3
95.05031	0.5
97.02955	2.3
99.00868	1.0
101.02441	11.7
109.02979	0.4
111.04511	0.5
113.02451	6.7
115.04014	0.5
116.92867	1.5
119.03500	4.6
123.04492	0.4
125.02444	6.7
125.06016	0.8
131.03510	0.7
133.05057	0.4
139.04068	0.7
141.01888	0.7
143.03506	2.8
144.81519	0.4
161.04567	3.3
163.11272	3.3
165.12843	1.6
167.03477	0.5
171.68944	0.4
179.05589	3.3
181.12291	0.5
185.04529	0.4
191.10776	0.7
199.06032	0.6
199.13316	0.5
207.10159	0.4
209.11813	100.0
210.12134	6.1
217.07178	1.0
218.63371	0.4
221.06645	1.3
227.12865	12.8
228.13219	1.1
235.08167	4.2
236.08528	0.4
253.09253	0.9
255.23280	53.1
256.23578	4.3
259.08105	0.5
263.07523	0.5
263.52277	0.4
269.24899	0.5
281.87711	0.4
287.07605	2.0
291.19681	0.5
293.21277	0.6
297.24268	0.5
305.08774	2.2
323.09845	1.1
361.11285	0.5
379.12415	8.0
380.12546	0.7
397.13477	41.8
398.13760	3.3
415.14554	8.7
416.14984	0.5
589.24255	0.4
599.79266	0.5
607.26617	0.5
635.36517	0.6
653.37531	1.3
863.48798	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	73.9
70.67700	4.4
70.68047	4.8
71.01377	7.0
74.30160	2.6
75.66177	2.4
77.86237	2.2
78.95902	26.6
78.98571	4.5
79.95741	37.3
80.96516	72.7
82.96085	2.5
86.47018	2.6
87.00877	3.1
94.98059	15.1
96.96003	3.4
96.96961	4.1
97.02937	4.7
122.97535	3.5
125.02433	2.5
134.97562	5.3
141.81808	2.3
148.99121	3.5
152.98514	5.9
152.99631	4.1
164.98599	9.1
172.40424	2.4
191.96442	2.3
197.11905	3.5
206.99602	5.0
211.13419	2.6
225.00697	21.2
232.28682	2.6
241.01111	9.7
255.23383	15.1
291.19598	6.3
309.20560	3.2
311.02994	2.9
491.76401	2.9
537.27411	3.4
553.27661	3.1
564.31775	3.1
594.12048	3.1
594.95380	2.6
607.25262	2.8
629.63513	2.5
715.35706	3.0
769.98242	3.4
777.40839	9.3
778.41980	4.5
804.60138	2.8
863.48444	100.0
864.49170	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	859.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	5.6
85.02985	6.0
89.02415	6.2
98.19835	7.0
101.02438	4.6
116.92846	6.3
128.77057	3.8
171.10257	14.2
211.13345	9.7
235.08162	23.6
251.28053	4.3
253.09274	41.3
277.21698	100.0
278.22070	7.0
291.19717	6.4
309.20828	20.0
324.91394	3.9
327.21725	97.8
328.22018	5.1
397.73273	5.4
487.26837	4.9
505.72369	5.2
507.95413	4.3
513.30579	6.4
545.29901	21.2
563.30841	18.3
650.51556	4.2
823.52191	10.3
859.49786	31.0
860.50104	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	863.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42686	0.8
69.25130	6.7
71.01368	1.0
78.95910	0.9
85.02942	3.5
87.04510	1.5
96.95994	2.6
98.19951	1.8
107.01413	0.9
121.06585	4.3
123.00854	1.5
124.01621	1.1
125.02432	11.8
137.09718	35.9
138.09975	1.5
139.00340	0.8
147.08099	1.3
148.44162	0.8
151.03963	1.2
152.01001	0.7
159.08141	1.6
163.11284	39.5
164.11568	1.8
167.03517	1.4
168.00635	3.8
169.01413	11.9
172.48210	0.8
173.09686	3.3
175.11261	8.4
176.11678	0.8
177.01912	3.3
183.02975	15.9
188.26065	0.7
189.12796	1.2
199.11314	1.7
201.09200	7.2
201.14961	0.7
202.09958	2.7
211.02449	10.6
215.10701	1.9
217.12320	100.0
218.12689	7.4
235.13383	48.2
235.15816	1.7
236.13760	4.1
237.11298	1.7
237.14960	1.9
271.04590	18.8
279.12268	5.6
320.43958	0.7
331.06662	11.0
335.04144	2.3
539.21417	6.6
540.21826	1.4
863.31268	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	857.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	26.5
62.78060	4.6
64.82584	4.7
69.20196	22.3
69.20625	25.7
71.01352	23.6
71.78384	5.2
73.02930	7.2
78.95887	5.9
85.02934	8.1
89.02439	17.4
96.96015	8.9
97.33158	5.3
101.02430	14.2
113.02476	6.6
116.92860	31.2
118.41468	4.5
119.88783	5.1
125.02437	28.2
138.53703	5.5
161.04570	11.2
169.01472	9.8
181.12344	15.2
199.13396	100.0
235.08209	7.2
253.09209	19.3
277.21753	60.3
278.22223	10.4
287.02188	5.0
291.19647	10.8
293.21246	41.5
294.21204	5.8
307.82547	5.2
309.20639	32.2
379.12357	9.1
397.13528	36.9
398.14233	5.9
415.14603	11.5
423.45490	5.1
459.34589	5.6
634.67877	6.0
857.48090	21.4
858.48840	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	857.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	31.9
69.51042	47.0
71.01379	11.6
73.28527	8.0
78.09530	8.2
80.81090	7.9
88.98822	22.2
89.02441	18.8
116.92827	11.9
124.56041	8.8
127.76762	7.9
129.81206	7.7
140.06984	8.9
171.10295	11.2
209.11900	14.6
223.13397	22.2
235.08228	10.4
235.64659	10.4
243.10370	7.6
253.09306	18.6
253.21750	14.3
265.36905	8.1
277.21707	100.0
278.22073	11.2
291.19586	44.4
293.21072	12.7
306.48370	9.6
307.19122	46.5
325.20148	27.1
497.66760	9.2
561.29431	10.0
565.43909	9.7
771.66077	10.2
787.66937	9.1
803.49298	34.1
821.50842	10.3
857.48346	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51511	5.2
61.98834	49.2
71.01783	14.2
112.37588	5.4
200.30534	5.6
209.11871	13.8
213.70338	5.9
217.33305	4.9
253.09285	13.7
258.36234	5.0
277.21689	100.0
278.22034	9.7
289.18082	40.9
290.18317	8.7
307.19077	46.7
332.22125	4.9
367.34357	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	857.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99300	10.6
61.98819	30.0
63.31888	9.7
71.01379	14.9
88.98795	31.7
89.02457	12.7
98.20634	28.4
101.02478	11.4
110.72704	9.7
116.92867	10.6
134.00641	9.7
209.11810	21.0
223.13397	35.1
230.93179	9.3
233.57626	10.4
235.08334	18.0
250.17738	11.0
253.21689	21.0
277.21744	100.0
291.19690	36.8
293.21146	12.1
307.19119	39.0
325.20297	10.4
397.13397	12.7
486.71548	9.9
518.72266	10.7
543.27673	15.1
663.28650	11.1
748.98041	10.9
775.81042	10.7
803.48901	25.6
857.48602	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	25.2
71.23254	8.5
71.54882	3.9
72.99297	9.8
73.02937	5.6
75.00887	17.5
85.02960	23.1
87.00883	8.8
89.02438	6.9
89.20174	3.7
95.01372	5.4
99.00887	13.1
101.02464	4.1
103.00366	3.9
113.02464	14.3
116.92842	4.2
125.02441	23.1
132.66153	3.4
167.03563	4.9
169.01436	23.1
171.30197	3.7
177.01945	5.4
183.34911	3.7
246.37868	3.5
249.06245	7.8
254.74710	3.8
260.94348	4.2
282.37955	3.7
341.26767	4.2
359.27982	12.7
415.10248	3.6
429.49515	3.6
471.01837	3.4
503.32111	4.7
521.33203	12.8
563.33789	5.5
813.26178	6.6
813.41180	100.0
814.41516	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	855.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	4.2
69.03473	2.6
69.59055	4.3
70.34097	0.7
71.01382	8.1
73.02958	1.8
80.91731	1.0
83.01393	0.9
83.05046	1.4
85.02942	10.2
87.00881	1.6
89.02434	7.1
89.02954	1.0
95.01408	0.9
96.95990	3.2
97.02967	1.4
97.06596	2.3
99.00857	0.7
101.02441	7.6
109.06604	1.4
111.08168	8.5
113.02421	3.7
119.03526	1.9
125.02447	3.8
125.09770	1.1
127.07635	1.1
127.11307	1.4
137.09729	2.0
143.03540	0.8
145.05038	1.3
149.09636	0.7
151.11319	0.9
153.09215	0.8
153.12886	1.1
155.10710	0.9
161.04515	4.3
163.11395	0.7
165.12823	1.1
167.03427	0.8
167.10724	0.7
169.01466	2.5
169.12340	4.3
171.10271	26.0
177.01923	0.9
177.12828	1.1
179.05614	1.6
181.12361	2.4
183.13863	3.3
185.11865	1.3
193.12352	1.8
195.13943	1.0
197.11827	48.8
198.12164	2.6
199.13405	2.6
201.11290	1.7
209.11835	2.4
211.13385	21.0
212.13850	1.6
221.11830	2.2
221.15535	1.2
225.11299	0.7
227.12825	1.6
229.14439	10.1
235.08205	6.4
239.12898	1.6
239.16553	1.6
247.20636	1.2
253.09277	43.3
254.09630	2.0
263.20038	3.3
265.18167	0.9
273.18600	1.2
291.19662	19.6
292.20108	1.6
293.21170	4.8
307.18799	1.0
309.20700	100.0
310.21048	10.5
325.20007	1.2
327.21744	91.4
328.22147	8.0
329.13712	0.8
343.21219	2.4
423.94894	0.8
500.72870	0.7
545.29626	4.4
546.30212	0.7
563.30701	5.9
564.31415	1.0
619.42255	5.0
620.42175	1.3
724.00702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76920	2.8
71.01381	21.6
71.55280	5.3
73.02917	4.1
79.77613	2.5
83.01368	3.6
85.02953	7.7
87.00883	12.6
89.02440	10.3
93.76637	2.5
94.02972	8.4
95.01403	2.7
96.96009	5.6
101.02443	7.9
108.04542	7.9
110.06122	5.6
113.02436	8.4
114.51849	2.8
115.05470	2.6
119.03490	2.9
121.02959	17.7
122.06129	9.1
125.02444	29.6
134.06104	4.3
137.02437	6.3
138.05620	13.7
150.05653	4.8
161.02434	5.9
161.04791	4.3
163.04063	3.0
165.01926	15.0
169.01439	21.1
174.05502	3.2
177.01889	8.9
180.06644	3.6
183.03081	3.7
187.08812	4.1
190.52664	2.7
201.10316	7.4
203.05815	3.3
213.10295	9.1
215.11946	5.6
225.10428	3.0
227.11937	3.0
229.09843	7.6
229.13612	3.7
239.11992	13.7
241.09914	3.1
245.87349	3.0
255.11357	4.2
256.12082	3.0
257.13040	6.3
259.10904	12.4
264.08951	8.4
265.09802	6.1
267.11267	5.2
278.10556	2.8
279.11340	15.1
280.12048	2.8
281.13120	3.0
283.10886	6.8
290.10489	4.0
291.07950	2.8
291.11374	11.4
292.08606	9.2
293.09207	4.3
300.11115	8.1
301.11896	41.6
305.06458	5.5
306.09988	4.8
307.10941	31.8
308.11398	10.5
309.12531	3.0
343.13324	3.5
344.13898	5.3
345.14603	2.9
350.09036	12.1
351.09857	36.0
352.10324	7.6
365.11417	5.0
372.13309	4.5
386.14944	8.5
387.15836	6.6
388.16599	3.8
411.15829	3.7
414.14688	3.6
428.16425	5.4
430.17642	5.4
474.16730	8.1
481.18439	8.3
492.17719	16.2
493.18124	3.5
506.19034	15.3
508.20761	3.3
527.23096	5.4
538.21960	69.9
539.22174	11.3
571.21985	6.5
572.22858	3.7
603.24615	34.0
604.24982	8.3
635.27325	31.3
636.27661	4.4
677.27490	3.3
749.30682	4.6
775.27643	6.2
793.29529	49.6
794.29291	14.6
807.30774	18.1
825.32031	100.0
826.32153	27.4
839.32495	4.1
857.34814	40.4
858.34833	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	855.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44969	8.5
61.98831	100.0
71.52273	8.0
71.52656	13.0
96.95979	11.1
125.02459	15.0
154.15652	9.4
177.37181	8.4
253.09236	12.0
277.21704	15.1
289.18155	15.0
291.19504	24.2
293.21194	28.4
307.19229	15.7
309.20618	9.7
400.57034	7.9
637.49622	9.7
855.47253	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	855.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	87.1
63.81672	20.9
67.21325	24.0
70.75567	63.7
70.82174	26.5
78.95885	46.6
80.12443	22.7
102.71690	25.0
196.54947	24.7
289.18118	29.7
291.19604	51.0
293.21185	100.0
307.19202	44.5
462.82654	25.3
855.47089	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	5.2
69.03454	2.0
70.70648	1.8
70.71001	1.0
71.01391	11.0
71.05030	1.4
72.99302	2.1
73.02960	2.1
75.00860	2.1
80.02676	2.4
81.03482	1.7
83.01411	1.6
83.05019	6.2
85.02962	9.8
87.00874	3.1
89.02427	8.1
95.01392	1.3
95.05029	2.2
96.96025	1.9
97.02935	1.3
97.06636	2.1
99.00887	1.1
99.03506	1.0
101.02443	10.5
103.00406	1.9
111.08183	9.1
113.02458	3.9
116.92781	1.3
119.03487	2.4
125.02429	5.8
126.06869	1.1
126.79661	1.1
127.11275	1.9
137.02437	1.3
137.09714	3.4
145.05069	2.5
155.10799	1.5
161.04494	5.2
163.11276	4.2
165.12868	3.1
167.10814	1.8
168.39679	1.0
169.01389	4.2
171.10265	24.1
175.06430	1.2
177.02019	1.2
177.12874	2.4
179.10780	1.9
181.12370	1.9
183.13965	1.3
185.11780	2.4
195.13895	12.3
197.11810	4.3
209.11819	88.0
210.12198	6.1
211.13417	7.6
212.15915	1.2
221.79483	1.2
223.13446	4.2
227.12881	9.7
228.13507	1.6
229.14456	5.0
235.08217	14.1
239.12958	1.4
247.20622	2.9
253.09285	30.7
254.09677	2.6
256.13123	1.6
273.18683	1.3
275.20065	6.1
289.18130	1.4
291.19666	100.0
292.19910	10.9
293.21234	62.8
294.21667	5.1
307.19077	5.8
309.20694	8.6
310.21045	1.7
325.20297	2.7
327.21759	74.0
328.22113	7.0
493.51971	1.4
527.28577	1.6
545.29974	1.8
718.88440	1.3
837.51251	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	854.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30832	0.3
61.98829	100.0
69.29597	0.3
71.01385	0.4
75.33562	0.3
78.95889	0.5
79.95710	1.5
80.96512	3.8
94.45874	0.3
94.98096	0.9
96.12977	0.3
97.81924	0.3
158.75630	0.3
164.98598	0.4
225.00804	0.7
253.81944	0.3
264.40161	0.4
325.78152	0.4
504.74817	0.4
730.42181	0.3
793.40515	0.4
854.47974	2.7
855.48883	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	855.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	2.3
67.01902	1.1
68.99803	1.7
69.03445	1.4
71.01389	19.0
72.99311	7.6
73.02950	2.6
74.52892	0.8
75.00874	14.9
77.25969	0.9
83.01392	2.1
85.02955	15.7
87.00869	6.0
89.02452	3.6
95.01384	4.1
96.95981	2.4
97.02924	1.2
99.00883	9.8
101.02438	3.6
107.01353	1.2
113.02457	13.5
115.00408	1.1
116.92818	0.9
117.01923	0.9
117.51949	1.1
123.00874	1.6
123.04538	1.2
125.02445	12.4
131.03477	1.0
137.02448	2.1
149.46919	0.9
167.03487	1.7
168.00800	1.4
169.01445	7.1
175.02478	1.9
175.03946	1.0
177.01874	2.3
185.11780	1.2
189.39012	0.9
203.03613	1.0
229.00661	1.1
231.05147	1.0
249.06097	5.2
267.07242	1.3
303.04739	1.0
327.25360	3.6
328.25583	0.9
332.34799	0.8
339.25272	5.8
341.27060	2.6
357.26401	13.7
358.26541	1.3
399.12830	1.1
501.30688	6.0
519.31567	8.8
520.31726	1.4
561.32758	3.3
563.34174	1.1
703.14935	4.6
704.15503	1.1
769.38275	1.6
811.39716	100.0
812.40161	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	70.1
65.42747	18.9
65.92310	20.5
66.07098	18.2
71.52529	29.1
85.79353	23.9
117.14603	19.7
201.35756	19.9
209.11906	27.7
253.09340	29.2
293.21133	100.0
307.19263	36.3
640.33099	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	853.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	5.7
68.99564	2.2
70.38084	4.1
71.01371	12.3
78.95906	2.8
80.02678	2.3
81.03458	3.2
83.01385	4.1
85.02933	2.6
87.00864	3.2
89.02448	6.2
95.05000	3.6
96.96037	2.5
97.02954	4.6
97.06590	4.8
98.20548	1.9
101.02441	10.2
108.14225	1.6
109.06569	2.6
111.08148	14.1
113.02452	3.7
116.36910	1.8
119.03494	3.5
123.04500	2.3
123.08172	2.8
125.02409	5.6
125.09716	7.7
131.85114	1.6
137.09676	3.3
145.05009	1.7
155.10809	2.1
161.04631	3.6
163.11351	3.1
165.12817	4.4
167.10744	3.3
169.01459	1.8
171.10251	8.3
179.10820	3.2
181.12321	2.3
185.11829	4.9
191.14392	3.6
195.13878	7.3
197.11810	5.1
207.10242	4.3
209.11815	12.1
211.13367	3.4
235.08264	2.7
237.11348	1.9
245.19104	9.1
247.20551	3.7
253.09285	14.6
263.20190	3.3
273.18573	2.4
275.20154	3.3
277.21713	4.9
282.55414	2.1
289.18088	26.4
290.18628	2.9
291.19669	100.0
292.20047	12.8
293.21228	9.4
307.19098	19.2
309.20721	6.7
310.21033	2.3
316.02094	2.5
357.22751	2.4
581.13519	1.9
791.91925	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	1.0
66.32442	0.4
66.65421	0.5
69.03449	1.2
71.01381	5.9
72.08519	0.4
72.99292	0.6
73.02952	1.2
81.03465	0.7
83.01398	0.7
83.05018	1.2
84.02158	3.2
85.02924	2.0
87.00876	1.4
89.02438	4.9
93.03461	0.5
95.01384	0.6
96.96006	0.7
97.02950	2.2
97.06594	4.6
98.20716	1.1
99.04484	1.1
101.02428	6.0
106.04051	0.4
109.06576	0.6
111.08196	2.6
111.65537	0.4
113.02462	2.6
119.03516	1.3
121.86063	0.4
123.04534	0.4
125.02434	1.8
125.09737	2.4
127.11340	0.6
137.09692	1.5
148.88614	0.4
149.09685	0.4
149.13290	0.5
151.11342	0.4
153.09145	0.5
161.04581	3.0
163.11305	1.2
165.09193	0.6
165.12857	0.7
167.10736	0.6
169.01454	0.9
169.12375	1.1
171.10258	15.0
172.10606	0.9
177.12851	0.7
179.05550	1.2
179.14421	1.0
181.12305	0.9
183.13850	0.5
185.11774	1.4
191.14450	1.0
193.12315	6.5
195.13878	9.1
196.14433	0.9
197.11818	9.7
199.13353	0.7
201.11284	1.3
205.12346	0.8
205.15923	0.5
209.11855	1.8
211.13408	2.7
221.11848	0.7
223.13400	5.2
224.13684	0.4
225.14960	7.6
227.12880	1.4
228.13591	1.2
235.08168	4.2
243.16000	2.6
245.19084	1.9
253.09268	30.8
254.09631	1.6
256.13193	1.4
263.20056	1.2
265.21585	0.6
273.18555	0.6
275.20145	6.0
289.18079	6.9
290.18393	0.9
291.19650	7.5
292.20026	1.0
293.21213	100.0
294.18222	0.5
294.21506	10.2
305.21353	0.6
307.19080	5.4
308.19437	0.8
309.20703	9.6
310.21213	1.0
323.22226	0.8
325.20096	1.1
341.23297	66.7
342.23621	6.6
529.29980	1.6
577.32245	1.4
604.84338	0.5
609.25104	0.5
617.44104	5.1
618.44830	0.9
771.35791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	4.1
67.01900	1.2
69.03432	4.8
71.01374	18.3
73.02939	4.3
76.30251	1.3
78.95889	1.9
80.02667	1.7
81.03465	1.4
83.01397	6.4
83.05017	4.5
84.02157	4.4
85.02958	4.7
86.13626	1.2
87.00874	4.0
89.02445	9.3
93.03442	2.0
95.01385	2.7
95.05020	4.2
96.96000	1.9
97.02943	6.8
97.06571	9.1
98.20755	3.0
98.73419	1.3
101.02433	15.1
109.06593	3.6
111.08144	20.6
113.02456	9.4
116.92851	4.0
118.90784	1.3
119.03493	2.4
121.06538	1.9
123.04498	4.3
123.08150	2.2
125.02426	5.7
125.06143	1.4
125.09707	12.1
127.07623	3.1
135.08141	1.6
137.09685	3.6
141.09270	1.4
145.05037	2.3
149.09641	2.3
151.11267	3.7
153.12851	2.2
155.10818	1.4
161.04553	7.7
161.09634	1.6
163.11295	8.1
165.12808	4.2
167.10750	3.6
169.01433	3.2
169.12294	11.4
171.10246	16.0
179.05592	1.7
179.10753	1.7
181.12321	6.0
185.11797	12.2
189.68036	1.4
191.14362	8.2
193.12300	2.9
195.13858	4.1
197.11826	100.0
198.12186	7.3
199.13402	7.5
207.10152	3.7
209.11812	29.4
210.12175	1.4
211.13379	16.0
223.13286	3.4
225.11284	4.4
227.12842	13.2
228.13271	1.5
235.08315	6.2
237.11407	3.4
245.19049	17.6
246.19412	1.8
247.20729	1.9
253.09248	40.0
254.09642	2.3
263.20071	11.5
265.17896	1.7
271.16910	2.8
273.18567	3.4
275.20132	2.0
289.18091	65.9
290.18402	5.4
291.19644	43.1
292.20001	8.3
293.21213	46.6
294.21768	2.9
307.19144	53.0
308.19406	6.1
309.20694	95.1
310.21036	10.6
325.19876	2.2
341.23315	26.3
342.23572	3.1
445.20880	2.9
543.27643	1.7
853.50653	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	852.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98541	0.2
78.95921	0.2
78.98632	0.2
79.95721	0.9
80.96515	2.2
87.00928	0.2
90.52380	0.2
94.98105	0.6
95.10255	0.2
98.19927	0.4
108.11301	0.2
124.49947	0.1
129.40140	0.2
134.97601	0.2
137.59950	0.2
164.98622	0.3
193.90851	0.2
225.00871	0.5
229.01273	0.2
852.43732	0.3
853.47797	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	853.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31113	1.5
61.98830	100.0
71.01382	2.4
73.02969	2.0
78.95914	2.0
78.98598	1.6
79.95750	8.9
80.96515	23.4
87.00843	1.3
94.98091	5.0
96.50206	1.4
106.80795	1.3
134.97563	1.5
164.98599	2.5
204.40536	1.5
205.30658	1.5
225.00664	6.2
344.95169	1.3
475.08270	1.3
853.47644	32.7
854.48053	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	853.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18795	1.3
61.98826	23.1
69.03442	2.3
71.01377	16.1
71.05030	2.4
71.69929	1.4
71.82980	1.5
72.99287	1.7
73.02936	4.3
78.95882	3.2
80.02677	1.6
81.03447	1.6
83.01383	2.4
83.05022	7.6
85.02942	5.5
87.00863	2.4
89.02432	8.2
93.03398	1.6
95.01386	1.4
95.05022	4.9
96.95988	5.8
97.02938	4.5
97.06586	6.7
101.02428	14.0
101.56369	1.4
109.06575	5.1
111.08164	8.7
113.02465	6.6
115.07632	2.8
119.03455	3.0
119.26283	1.3
121.02871	1.6
123.08190	2.4
125.02425	9.6
125.06097	1.5
125.09720	8.8
127.07642	2.1
127.11262	2.5
135.08154	3.3
137.02335	1.7
137.09706	2.9
151.11240	2.0
151.97755	1.4
153.09198	19.6
155.10782	3.1
161.04538	4.2
163.11279	7.0
165.12842	7.3
167.14447	1.7
169.01424	4.0
169.12320	4.4
171.10269	40.4
172.10558	2.1
177.01930	3.3
177.13010	1.3
178.10063	2.5
179.05617	2.1
179.10732	1.8
181.12294	3.8
183.13878	4.0
185.11821	10.9
185.58257	1.2
188.01825	1.4
191.10815	3.2
191.14435	3.4
195.13841	1.4
197.09973	2.7
197.11819	51.7
198.12138	2.0
199.13338	1.7
207.10287	3.0
209.11823	75.1
210.12122	4.0
211.13388	21.8
212.13631	1.5
221.11873	2.4
225.11267	1.8
227.12830	5.0
229.14471	9.0
235.08237	6.8
238.11978	2.5
240.13402	1.4
245.19078	8.5
247.20732	3.4
253.09251	38.6
254.09642	3.2
263.20071	4.1
265.18137	2.2
282.53720	1.3
289.18106	34.3
290.18372	3.7
291.19662	31.4
292.19934	4.4
293.21100	1.5
307.19125	100.0
308.19427	8.9
309.20706	75.5
310.21024	6.9
325.20178	43.4
326.20477	3.5
327.21777	51.3
328.21967	5.2
525.26794	4.2
543.28076	24.5
544.28625	3.1
545.29565	1.7
561.28656	6.5
563.30884	1.8
766.41040	2.4
835.48260	11.7
836.48773	3.7
853.48956	5.5
854.48999	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	851.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.5
61.98830	100.0
69.03442	2.1
71.01385	7.9
71.05026	1.3
71.55047	1.6
73.02944	1.3
81.03441	1.8
83.01355	1.5
83.05020	2.3
85.02931	2.0
86.44260	1.0
87.00861	2.0
89.02450	3.8
90.13574	0.9
92.61153	1.3
95.01372	1.7
95.05025	2.2
96.95999	4.4
96.96947	1.3
97.02959	2.0
97.06607	3.5
99.08166	1.1
101.02459	6.2
102.02052	1.1
109.03017	1.1
109.06586	2.2
113.02456	2.3
113.38445	1.0
114.05621	3.6
115.07686	1.2
119.26209	1.0
121.02989	1.4
123.04536	2.1
123.08192	1.4
124.01476	1.1
125.02450	5.9
125.06066	1.2
125.09760	6.2
127.07652	2.8
135.08133	1.7
137.09685	2.6
141.01794	1.0
141.09201	1.2
153.09227	9.8
161.04601	1.8
163.11284	6.8
165.12851	1.3
167.03491	1.1
169.01402	4.0
171.10258	25.0
172.10611	1.7
178.09911	2.3
179.05611	1.1
181.12317	1.2
185.11841	7.6
191.10873	1.4
191.14415	6.0
197.11800	3.9
207.10257	2.6
209.11829	29.1
210.12096	2.4
225.11307	3.8
235.08200	2.3
235.13509	1.3
238.12297	1.2
245.19200	10.3
247.68166	1.1
253.09253	11.0
269.14917	1.0
271.17017	3.0
287.16589	2.0
289.18088	64.9
290.18448	5.1
291.19550	1.3
301.18216	1.3
305.06662	1.2
305.17554	3.0
307.19144	62.6
308.19431	5.7
309.20584	1.8
325.20114	17.4
326.20566	2.1
327.21796	2.4
405.79660	1.3
525.26660	2.9
526.72845	1.2
543.27991	10.7
544.28156	1.3
669.96442	1.1
764.39771	3.7
778.76752	1.1
782.91229	1.3
815.45490	3.5
816.46423	1.9
833.46820	9.5
834.47479	2.7
851.47357	3.0
852.48090	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	852.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98538	0.3
62.99283	0.2
63.99264	1.0
69.86578	0.5
78.95921	0.2
79.95767	0.2
80.96527	0.4
83.11762	0.1
94.98112	0.2
98.20675	0.1
100.60207	0.1
133.24582	0.1
178.01909	0.1
201.18378	0.1
326.00977	0.1
424.39136	0.1
549.14618	0.2
803.69299	0.1
853.48450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	18.7
61.98831	35.1
68.99800	4.8
69.03448	5.2
71.01389	16.9
71.05035	5.9
71.18424	5.3
78.95898	6.1
81.03442	6.1
83.01416	4.0
83.04990	6.2
85.02928	10.3
87.00860	3.6
89.02461	6.8
95.04991	5.8
96.96014	5.5
101.02434	12.1
107.05032	15.2
109.06591	10.5
111.08155	14.2
113.02475	11.3
125.02453	19.3
126.39365	4.4
135.08072	3.6
151.07642	19.0
161.04561	8.6
168.25745	4.4
169.01436	8.3
169.12286	5.7
171.10265	13.4
177.01947	5.6
177.12761	9.6
191.14383	4.1
195.13879	27.5
197.11829	86.7
199.13423	4.5
201.11218	4.3
203.10744	10.2
209.11812	9.0
209.15256	3.8
211.13361	11.2
221.11752	10.3
227.12863	6.9
229.12285	6.4
235.08249	13.3
235.13324	14.6
237.14951	10.7
243.17525	4.0
247.13365	30.7
253.09283	39.6
261.18503	15.7
263.20105	6.1
265.14474	17.8
287.16504	14.8
289.18057	10.1
291.19681	42.6
305.17603	65.6
306.17880	9.7
307.19055	9.2
309.20715	100.0
310.21054	13.2
323.18634	5.8
483.22134	8.2
501.23416	5.3
541.26428	6.9
636.34363	4.9
793.43506	10.9
833.46991	7.1
851.48456	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	851.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	22.5
61.98837	8.5
68.86366	2.8
69.03453	9.6
69.37804	20.5
71.01382	27.8
72.99305	3.5
73.02934	6.3
80.02688	3.4
81.03450	3.6
81.39182	2.4
83.01392	3.8
83.05029	4.0
85.02940	8.0
87.00866	6.3
89.02443	13.1
95.01424	2.4
95.05030	8.9
96.96017	3.0
97.02938	15.7
97.06590	7.9
98.20634	4.5
99.00887	2.6
99.04511	13.3
101.02444	15.8
107.05032	4.6
109.02928	3.9
109.06593	5.8
111.00942	4.0
111.04515	3.0
111.08163	7.5
113.02464	10.6
116.92776	2.6
121.02950	4.1
121.06586	5.0
123.00849	2.4
123.04522	3.4
123.08149	6.2
125.02472	12.5
125.09700	18.1
135.08171	11.9
137.02446	2.8
137.06100	2.7
137.09698	8.4
139.07645	7.2
139.11230	2.9
141.09175	2.6
141.12907	2.5
143.03526	2.3
147.04562	2.7
147.14696	2.6
149.06082	2.7
151.07639	2.5
151.11292	2.3
153.09224	8.5
155.10771	23.8
161.04561	6.7
161.05994	2.5
163.11258	5.4
165.09204	4.8
165.12839	9.4
167.10785	2.9
169.01346	8.1
171.10269	19.7
176.50241	3.6
177.12810	7.2
181.12302	7.2
183.10234	15.6
185.11809	9.4
189.02957	2.4
189.12860	2.8
191.14388	3.8
192.28194	2.4
195.13876	13.2
197.11789	15.7
199.09746	11.5
201.11299	6.8
203.10732	4.1
207.10361	3.0
209.11862	16.8
211.13423	7.9
213.11310	27.9
221.11778	5.6
223.13383	10.7
225.11275	5.0
227.12840	5.2
233.11884	3.9
235.08266	6.8
235.13313	7.6
237.11330	2.7
243.17522	6.2
245.11560	2.7
245.19067	4.6
247.13297	4.0
247.20714	6.9
251.12840	8.0
253.09256	43.8
253.14436	7.8
259.17020	3.4
261.18597	3.3
263.12900	6.0
275.20306	2.7
277.18161	4.8
279.19772	6.2
281.13980	4.0
285.14929	6.0
287.16525	15.5
289.18015	14.6
290.18619	3.1
291.19638	84.7
292.20056	8.8
293.21265	61.3
294.21558	5.8
303.15930	15.3
305.17593	33.7
307.19156	8.9
309.20676	100.0
310.20947	13.1
313.89462	2.5
321.16995	3.2
323.18683	36.4
323.22192	4.3
324.18994	2.8
341.23270	3.5
419.19330	12.2
446.51178	2.5
517.22418	3.6
523.71832	2.5
541.26282	8.6
542.27496	3.4
559.04395	2.8
559.28430	3.4
753.27557	2.7
793.44312	3.8
833.45667	3.5
851.47418	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	850.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
63.99260	0.3
71.01384	0.3
72.99300	0.2
75.00875	0.2
78.95927	0.3
88.98823	0.4
96.95993	0.6
125.02438	1.0
142.08148	0.2
167.03421	0.3
169.01460	0.6
209.11879	0.3
305.17676	0.4
327.21759	0.5
498.72537	0.2
726.27307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.61291	0.2
71.52634	0.3
76.42151	0.2
78.95919	0.3
79.66853	0.2
79.71041	0.2
96.95996	1.1
102.18276	0.2
111.20261	0.2
125.02457	0.7
125.09682	0.2
135.23672	0.2
140.31519	0.2
169.01476	0.6
171.10304	0.2
185.11740	0.3
197.11833	0.4
209.11836	0.7
235.08337	0.3
253.09413	0.4
289.18112	0.4
291.19727	0.4
305.17654	0.4
307.19205	0.6
309.20740	0.4
468.09174	0.2
500.47141	0.2
792.67926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.75166	0.5
70.75515	1.3
78.95918	1.0
81.68676	0.4
110.03873	0.5
113.52888	0.4
119.53902	0.4
130.99521	0.4
183.26427	0.5
198.69737	0.5
514.49866	0.5
850.50323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.9
61.98835	4.6
62.41876	1.9
71.01379	14.2
71.54383	2.2
71.54789	3.0
73.02956	2.1
76.45617	1.7
85.02946	4.7
87.00881	3.8
89.02462	12.9
97.06575	5.1
101.02451	10.6
113.02464	4.3
123.52269	2.0
145.95032	1.8
151.11301	12.4
169.12318	37.0
170.12654	2.9
184.88811	2.2
190.96167	1.9
213.11313	5.0
220.46559	2.0
221.39682	2.0
250.74553	1.8
255.23286	47.0
256.23529	5.7
301.96939	2.1
354.15543	2.1
397.13278	3.5
702.52838	2.3
846.41901	2.2
849.48492	100.0
850.48871	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.8
61.98832	100.0
69.47636	4.8
69.48040	24.3
71.01379	5.6
78.95927	4.6
81.96120	3.7
98.19922	8.7
109.54668	3.8
111.86581	3.6
195.14058	4.5
253.09254	7.5
275.20197	4.8
277.21725	80.7
278.22183	7.1
293.21237	42.7
404.95435	3.9
731.65900	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	847.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45444	1.0
60.83060	0.9
61.98830	100.0
62.98522	0.9
63.96231	1.4
68.74419	0.9
70.83701	2.6
71.01379	6.9
78.95871	1.0
78.98601	5.5
79.95739	16.1
80.96518	73.8
85.02965	2.8
87.00865	2.7
93.66283	0.9
94.98093	14.1
96.96040	1.3
97.02979	1.1
101.02425	2.0
103.79719	1.2
106.98085	3.0
114.86430	0.9
122.97572	3.7
125.02428	3.4
127.03983	1.5
134.97549	4.4
136.09142	1.1
148.99155	5.4
152.98584	5.2
164.98618	10.3
206.99751	2.5
217.97961	1.0
225.00702	17.5
287.06335	1.0
416.61771	1.2
537.27405	1.1
591.25073	1.8
847.48682	71.8
848.49023	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	847.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.8
59.43626	0.5
59.51576	0.5
60.76640	0.5
61.98827	13.4
62.03006	0.5
63.55851	0.6
63.79701	0.5
63.94986	0.5
63.96236	2.5
64.35019	0.6
65.20707	0.6
65.78383	0.6
67.51495	0.6
68.05916	0.5
69.03467	0.6
69.42588	0.5
70.76694	1.5
70.77067	1.1
71.01378	10.2
73.02947	1.9
78.98589	8.0
79.95730	20.3
80.50704	0.6
80.89210	0.6
80.96513	100.0
81.03451	0.8
81.13696	0.6
82.38161	0.7
82.96095	1.6
85.02934	3.0
87.00880	3.5
94.98084	21.4
96.95982	1.4
97.02952	1.9
99.00854	0.8
101.02421	3.1
106.98090	4.1
122.97591	7.0
125.02443	4.2
134.52699	0.6
134.97589	7.1
136.99158	1.6
148.99124	8.2
152.98647	7.6
164.98616	13.0
167.00113	0.8
204.37451	0.6
206.99654	4.0
225.00723	24.6
226.01257	0.7
227.00282	0.8
245.23561	0.8
250.18143	0.6
255.23285	1.8
283.04956	0.9
395.84467	0.6
416.23114	0.8
496.03906	0.7
526.99744	0.7
537.27325	1.8
538.28748	0.8
591.24634	1.9
746.20984	0.7
761.41449	5.7
762.41620	1.1
766.12152	0.7
823.41571	0.8
847.48682	97.0
848.48987	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	847.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.0
71.51337	3.0
78.95905	75.0
80.96521	17.1
85.03800	3.1
87.21502	2.8
94.98063	5.4
96.96951	12.8
152.99565	11.2
195.13873	7.7
217.00311	5.3
223.00250	5.5
223.13312	3.9
241.01219	32.7
255.23317	39.6
256.23544	4.8
275.20346	2.7
283.01495	2.6
291.83447	3.1
293.21240	19.9
432.65015	3.3
847.49567	100.0
848.49628	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	848.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
61.98829	100.0
62.98532	0.3
64.36512	0.2
70.77962	0.7
72.99241	0.3
81.49229	0.3
88.98801	1.6
89.02457	0.2
125.02448	1.7
128.45743	0.3
149.23056	0.3
169.01389	1.2
177.01979	0.5
211.13509	0.3
303.85175	0.3
341.52518	0.3
424.28391	0.3
430.80469	0.3
751.74615	0.3
788.39923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.42834	2.6
75.76608	0.4
88.98807	1.1
98.07225	0.4
98.19855	0.8
115.69826	0.4
119.16934	0.3
125.02457	0.9
127.07652	0.4
169.01468	0.5
172.06137	0.4
173.08200	0.5
195.67728	0.4
257.57700	0.4
277.21878	0.5
424.36612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
65.00282	0.2
68.36784	0.2
69.03410	0.3
69.45367	0.2
71.01368	0.5
79.95737	4.4
85.02943	0.4
87.00920	0.2
88.06369	0.2
89.02474	0.4
93.03465	0.3
95.01390	0.9
96.96008	100.0
97.02931	0.3
97.95918	0.4
101.02415	0.2
107.01369	0.7
111.00858	0.6
121.02959	0.2
123.00895	2.1
124.01678	0.8
125.02448	9.3
126.02779	0.4
127.00369	0.2
127.04070	0.2
136.33675	0.2
136.98839	0.2
137.02486	0.3
139.00372	0.6
140.01137	0.4
141.01883	0.2
150.05600	0.3
151.00427	0.7
155.03528	0.2
161.02472	0.6
165.01918	0.2
166.99861	1.3
168.00633	1.2
169.01416	15.0
170.01750	0.7
173.04494	0.3
177.01984	0.4
178.99861	0.4
191.03444	0.2
220.92970	0.2
223.09673	0.2
275.32764	0.2
279.04968	0.5
281.06528	0.5
297.06177	0.4
301.03491	1.3
325.05640	0.2
371.24228	0.5
449.07208	8.4
449.13342	0.4
450.07565	0.8
479.22559	0.3
523.25909	0.5
543.78400	0.3
641.25812	0.7
751.11469	6.4
752.12006	2.0
849.31403	1.9
849.45044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	25.2
60.99287	5.3
61.98830	48.9
69.03445	3.0
70.77902	5.7
71.01385	23.7
72.28730	2.3
72.99290	3.4
81.03490	2.5
83.01402	2.3
83.05059	2.3
85.02936	6.2
86.62959	2.1
87.00870	6.8
88.98807	23.3
89.02448	17.4
93.33602	2.3
95.01346	2.6
97.02932	3.7
101.02453	15.0
109.06585	2.5
113.02464	8.8
119.03459	4.7
123.00874	2.1
125.02420	11.8
137.09763	2.4
167.03493	2.9
169.01413	7.0
171.10269	19.5
179.05537	3.7
209.11794	2.9
221.06438	3.3
236.55614	2.8
250.44810	2.8
283.12497	2.4
293.21252	22.7
325.25378	3.7
342.67365	2.4
343.26596	2.6
350.33838	2.7
359.25876	4.4
369.24139	4.9
377.54813	2.5
387.25415	11.7
397.13669	15.7
405.26428	16.3
632.61176	2.2
785.39581	100.0
786.40063	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.51600	0.4
71.01389	1.0
78.98609	0.7
79.95747	2.6
80.96521	10.0
85.02956	0.4
86.61205	0.4
87.00900	0.6
87.87910	0.4
90.58776	0.3
94.98075	2.4
96.95949	0.4
101.02416	0.4
122.97591	0.8
136.95622	0.4
148.99167	0.7
152.98639	1.0
164.98640	1.2
183.06462	0.3
206.85710	0.3
206.99620	0.5
225.00717	2.1
347.72681	0.4
475.29886	0.4
508.37598	0.4
846.47290	3.7
847.48883	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	846.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.51600	0.4
71.01389	1.0
78.98609	0.7
79.95747	2.6
80.96521	10.0
85.02956	0.4
86.61205	0.4
87.00900	0.6
87.87910	0.4
90.58776	0.3
94.98075	2.4
96.95949	0.4
101.02416	0.4
122.97591	0.8
136.95622	0.4
148.99167	0.7
152.98639	1.0
164.98640	1.2
183.06462	0.3
206.85710	0.3
206.99620	0.5
225.00717	2.1
347.72681	0.4
475.29886	0.4
508.37598	0.4
846.47290	3.7
847.48883	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	839.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.7
61.98825	4.2
66.48055	0.8
69.22278	4.7
69.22704	2.1
71.01379	5.8
72.99303	0.8
73.02951	1.7
80.02644	0.7
81.03447	1.4
83.01395	1.3
83.05019	5.5
84.02167	0.8
85.02927	1.4
87.00874	1.4
89.02451	2.5
95.04996	0.8
99.92587	3.1
101.02437	4.8
103.04124	0.7
113.02418	2.8
116.92860	17.4
117.22814	0.7
117.92869	1.2
119.03506	1.1
135.08186	1.0
144.74574	0.7
145.04936	0.8
156.24492	0.8
161.04492	1.6
163.11314	4.9
165.12843	2.7
166.40633	0.8
167.10738	0.7
171.10213	2.1
181.12267	0.9
182.61743	0.7
185.11771	1.5
191.10796	1.0
209.11813	100.0
210.12077	5.7
227.12849	10.1
228.13208	1.0
235.08167	3.5
253.09259	12.5
277.21701	90.2
278.22031	9.9
293.21307	1.0
307.19000	4.9
346.19885	0.8
399.71906	0.7
428.57352	0.8
677.91956	0.9
680.88324	0.8
765.12054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	77.1
67.67970	15.9
69.95896	51.7
77.70254	15.5
79.18784	13.3
98.19811	14.4
104.13123	12.7
125.84773	13.4
237.22356	14.1
241.21762	23.9
246.01566	14.8
277.21817	100.0
291.19498	53.9
309.20709	62.6
310.21069	21.4
453.96515	14.9
602.49658	13.7
656.26917	16.9
841.49695	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	841.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
70.94476	10.5
70.94800	9.8
76.45415	6.5
76.85712	6.0
78.95930	11.1
80.96533	7.4
136.43541	6.3
149.94835	6.9
196.89467	7.7
253.09204	10.5
277.21707	53.8
281.25070	9.3
291.19638	32.0
315.47879	7.4
607.54034	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	843.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.2
61.98814	2.4
65.00296	0.8
67.01888	0.9
69.03431	1.1
69.71838	3.4
69.72251	1.9
71.01385	5.1
72.99300	1.3
73.02966	0.8
75.00878	1.0
79.01889	1.2
85.02962	2.4
87.00857	0.8
89.02461	1.2
95.01382	3.6
96.96018	5.5
97.02942	1.3
98.19942	0.8
99.00898	1.1
107.01372	5.3
107.38140	0.7
109.02971	0.9
110.00120	0.8
111.00901	5.2
116.92860	0.8
121.02913	1.3
123.00020	0.9
123.00888	14.1
124.01663	2.6
125.02448	35.5
126.02795	1.8
127.00364	1.8
136.98801	1.9
137.02422	2.5
139.00351	7.0
139.03995	1.8
140.01161	4.6
145.02831	0.9
149.02382	1.1
151.00328	3.0
161.02464	1.0
165.01927	1.5
166.99843	4.4
167.03497	2.6
168.00656	18.5
169.01439	41.6
170.01750	1.6
177.01884	2.3
183.02986	2.2
194.99313	0.8
200.27765	0.8
211.02481	67.6
212.02914	4.0
271.04581	100.0
272.04974	5.6
302.07904	0.8
306.30872	0.7
308.20364	0.7
314.07828	1.2
317.06726	2.8
318.07623	0.8
331.06659	34.1
332.09079	21.5
333.09528	2.6
347.11258	2.1
481.14908	9.0
482.15515	1.4
493.15216	4.2
511.16064	36.0
512.16315	5.5
667.15814	0.8
691.22186	4.9
843.23541	5.0
843.39026	1.3
844.24146	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.8
61.98844	40.1
76.70266	7.6
98.20690	16.4
98.54613	8.1
99.92570	18.9
116.92852	100.0
117.92882	44.0
118.92665	27.5
152.90984	8.1
193.37442	8.2
235.08176	13.5
244.31255	8.6
253.09204	11.6
277.21753	98.9
278.22070	22.2
289.18127	65.5
319.33789	8.3
341.44992	9.4
402.55414	7.4
525.26300	11.2
839.47473	25.6
842.76093	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	839.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52736	7.7
58.76168	8.3
61.98836	100.0
69.71725	9.3
78.95908	14.0
80.96538	13.2
83.80709	8.1
87.83244	8.7
97.22852	8.6
137.48087	7.8
176.84787	8.9
529.59686	8.6
543.43024	8.4
564.08655	10.9
619.22681	9.1
669.12372	10.0
684.68909	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	839.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
74.54611	2.1
74.77046	2.2
75.36881	2.5
78.95889	2.5
80.96503	4.3
81.80888	2.5
82.13999	2.1
94.79602	2.2
101.90713	2.2
111.20676	2.0
173.82726	2.3
328.59891	2.4
645.33826	2.1
690.78064	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	839.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.0
59.06308	1.2
59.74813	1.4
61.98821	5.4
64.22041	1.4
66.47230	1.4
69.03474	2.7
70.38927	2.5
70.39328	2.8
71.01379	9.1
78.95915	3.0
85.02940	7.9
87.00889	1.8
87.51537	1.4
89.02423	4.8
95.01396	1.6
95.04995	1.5
96.96037	2.1
97.02940	2.3
97.06608	1.9
101.02427	6.4
104.80925	1.4
113.02443	2.3
125.02438	7.7
137.02415	1.9
137.09669	2.5
148.44446	1.3
161.04549	3.7
167.03444	2.6
169.01422	6.6
171.08813	1.6
171.10265	26.8
172.10555	2.7
177.01956	2.5
195.13869	10.8
196.14139	1.9
209.11806	2.3
211.13376	6.8
223.13397	7.0
225.11357	2.2
229.14366	2.7
235.08240	10.3
253.09273	33.8
275.20172	3.8
277.21750	1.6
291.19571	8.0
292.20071	6.3
293.21225	100.0
294.21561	9.4
309.20712	6.0
327.21744	61.1
328.22061	10.4
329.22342	2.9
529.29779	4.1
563.30438	3.6
603.42847	2.0
691.64020	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.1
61.98831	1.3
63.64441	0.5
67.01893	1.5
68.99804	0.8
70.56998	2.0
71.01385	5.3
72.99298	0.7
73.02925	1.2
77.70306	0.6
79.01894	1.0
83.01387	1.0
85.02931	3.0
87.00895	0.9
89.02427	2.3
95.01387	1.8
96.95992	2.5
97.02940	0.7
98.20591	0.6
99.00896	1.1
101.02432	2.0
107.01391	3.2
109.02940	0.7
110.00098	0.6
111.00856	2.1
113.02420	2.6
113.99574	1.6
115.00333	0.9
123.00882	8.0
124.01671	1.3
125.02443	23.8
126.02811	1.5
127.00391	0.8
136.98763	1.0
137.02399	0.9
139.00397	3.0
139.04022	0.8
140.01135	3.4
141.01964	0.7
151.00363	3.9
157.01419	0.7
161.02428	0.7
165.01862	1.0
167.03450	1.8
168.00626	8.2
169.01414	36.5
170.01773	1.3
175.02353	0.7
177.01880	1.9
193.01404	0.7
211.02467	33.8
212.02776	2.0
241.03648	1.4
241.25456	0.7
243.02844	0.8
255.02968	1.7
271.04633	42.8
272.04883	2.6
277.05673	1.8
300.02740	8.1
301.03128	0.7
313.05780	0.6
315.05075	6.6
316.05405	0.7
331.06711	1.2
339.25500	0.9
355.43896	0.7
357.26453	2.5
375.07120	0.9
519.31793	3.2
523.21826	100.0
524.22192	16.5
550.97949	0.7
839.39410	12.7
840.40186	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	21.1
61.03312	10.4
61.98827	100.0
69.15921	67.9
69.16331	23.9
71.01367	14.9
80.96511	16.8
88.98796	9.7
90.37489	10.4
110.71545	10.4
116.92861	32.5
124.01577	10.5
125.02444	96.8
135.08203	10.7
166.02686	16.1
167.03415	29.3
169.01418	81.1
171.10287	12.6
177.01903	19.7
181.00760	9.7
181.05060	21.5
209.11781	90.7
227.12814	14.4
282.45276	9.8
305.06619	14.3
307.19168	40.8
325.20163	20.7
346.11627	11.1
379.12183	10.2
417.15564	18.1
509.96866	10.0
543.27740	16.4
735.39789	20.7
753.40570	14.8
771.41693	13.4
839.41058	36.2
840.42725	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	838.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69383	0.8
61.98828	100.0
71.43002	1.3
78.95908	9.8
80.96550	0.9
90.68092	0.8
105.70238	0.9
113.56804	0.8
116.92832	1.2
122.97501	0.8
123.13309	0.7
127.75385	0.7
129.58632	0.8
130.07161	0.8
142.81323	0.8
159.26811	0.9
178.88390	1.0
179.89236	1.2
196.89450	3.5
335.52426	1.0
338.73239	0.9
374.58261	1.1
433.01117	0.9
518.49304	0.8
643.08374	1.1
838.43378	3.0
839.45392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
60.50236	0.4
67.01891	1.0
69.03460	0.9
69.47777	1.8
69.48189	1.3
71.01379	1.4
74.21465	0.5
79.01884	0.5
82.89848	0.5
83.05009	0.9
85.02953	1.4
87.00881	1.9
93.03452	10.9
97.02947	1.0
106.20132	0.5
107.01385	8.0
109.02975	0.7
111.00883	0.7
111.04510	5.9
115.00372	0.6
123.00887	1.4
125.02443	45.9
126.02771	1.6
127.04035	0.8
137.02461	5.4
139.00404	0.9
140.01184	0.5
143.03479	0.8
155.03508	9.1
156.03886	0.5
166.75943	0.4
168.00668	0.6
169.01421	87.7
170.01762	5.2
171.01846	1.4
173.04555	17.4
174.04886	1.3
191.05605	17.8
192.05952	1.2
193.01378	1.0
195.13879	0.7
201.05582	0.8
245.04604	0.6
325.05646	9.8
326.06052	0.9
343.06686	13.6
344.07065	1.3
495.07791	100.0
496.08109	16.7
497.08417	4.3
726.92004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.7
61.98841	1.5
68.99560	1.2
69.03448	1.1
70.77363	0.7
70.77737	0.6
71.01378	6.2
72.99302	0.5
73.02945	1.1
81.03437	0.4
83.01388	1.1
83.05025	1.0
84.02158	2.8
85.02496	0.3
85.02935	1.5
87.00864	1.4
89.02445	3.7
95.01354	0.4
95.05025	0.6
97.02942	1.4
97.06580	4.8
99.00894	0.3
99.04517	0.9
101.02446	5.4
102.26060	0.3
103.61858	0.3
104.40062	0.4
112.98537	0.7
113.02436	2.5
116.92815	0.4
119.03503	0.8
125.02442	0.4
125.09720	1.3
127.11247	0.5
133.05038	0.5
137.09726	0.5
143.03502	0.3
145.05048	1.3
148.88535	0.3
149.13475	0.4
161.04546	2.8
165.12778	0.4
171.10265	12.3
172.10542	0.4
175.11269	0.6
177.12805	0.4
179.05574	1.1
183.13881	0.4
185.11800	0.6
193.12334	8.2
194.12679	0.6
197.15358	0.4
203.10730	0.4
211.13416	2.3
211.16930	0.3
221.11803	0.7
225.14960	12.9
226.15373	0.6
233.22725	0.5
234.23145	0.3
235.08221	9.8
235.97417	0.3
236.08534	0.4
243.16031	4.8
244.16373	0.4
253.09285	20.1
254.09610	0.9
259.20718	0.3
277.21713	100.0
278.22049	9.1
291.19696	1.8
305.21207	1.1
323.22235	2.6
341.23312	89.7
342.23672	9.2
365.23318	0.3
513.30981	0.5
559.31689	0.6
577.32306	2.1
578.32135	0.4
601.44806	4.5
602.44745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.9
61.35450	0.3
61.98820	1.4
62.60527	0.3
69.03444	0.8
70.47685	0.9
71.01373	4.6
72.99319	0.4
73.02934	1.2
78.95879	0.4
83.01370	0.4
83.05030	0.9
84.02155	4.3
85.02966	2.0
87.00844	1.6
89.02447	2.8
91.03992	0.4
95.01402	0.6
95.05053	0.4
96.95986	1.2
97.02958	2.0
97.06580	3.7
98.19999	0.4
99.00914	0.3
99.04503	1.4
100.41124	0.3
101.02438	5.2
111.08120	0.3
113.02464	2.6
116.92832	0.4
119.03481	1.2
123.08121	0.3
125.09728	0.7
126.32014	0.3
127.11316	0.5
128.18370	0.3
133.05067	0.9
137.09703	0.7
145.05029	1.5
157.05064	0.5
161.04544	2.6
171.10263	16.1
172.10579	0.6
179.05605	0.7
186.46132	0.3
193.12357	4.8
211.13383	1.4
221.11885	0.8
225.14963	8.1
235.08215	13.7
236.08571	0.5
243.15919	2.8
253.09270	15.9
253.14471	1.0
254.09576	0.8
256.01465	0.3
259.21005	0.3
275.20139	0.4
277.21701	100.0
278.22046	9.9
289.80115	0.4
291.19754	1.8
305.21179	0.8
309.20535	0.5
323.22327	1.9
324.22742	0.4
341.23294	67.4
342.23657	6.5
345.34177	0.3
513.30597	0.7
559.31030	0.5
569.58075	0.4
577.32062	1.2
589.02606	0.4
601.44702	2.2
604.61896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.2
61.98824	1.3
65.51215	0.7
66.52301	0.6
69.03456	1.6
69.20495	4.5
69.20908	1.7
71.01379	6.4
71.89639	0.7
73.02944	2.1
75.75784	0.7
83.01384	1.2
83.05033	2.0
85.02936	1.9
86.72811	0.7
87.00869	2.0
87.56544	0.7
89.02456	4.3
95.01363	1.1
95.05057	1.1
97.06576	1.7
98.19922	1.4
99.00906	1.0
101.02423	7.0
108.52719	0.7
109.06589	1.0
111.08163	19.2
113.02447	3.1
119.03507	1.1
127.07646	1.4
135.11778	0.7
149.09657	1.0
151.11221	1.0
161.04555	2.5
163.11266	0.9
165.12859	2.0
165.94881	0.8
167.10774	2.9
169.12338	3.1
171.10246	1.2
177.12834	2.3
179.05580	0.8
179.10760	2.7
181.12335	2.1
186.20789	0.7
195.13919	7.5
197.11819	47.4
198.12172	2.9
199.13347	3.0
201.11287	0.8
209.11778	4.9
211.13319	6.3
223.13446	1.4
227.12918	3.5
235.08243	2.6
245.19057	1.8
247.20671	1.6
253.09253	17.8
254.09633	1.2
263.20096	5.2
265.17957	1.3
273.18585	2.3
275.20233	3.5
289.18060	4.3
291.19653	100.0
292.20001	11.1
293.21213	22.1
294.21552	2.6
307.19162	6.0
309.20685	47.1
310.21222	4.0
311.21970	1.5
447.10150	0.8
837.49988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.9
61.98537	0.7
61.98833	9.9
66.61208	0.6
69.03451	1.3
70.64642	0.6
71.01375	5.1
71.05013	1.2
71.09450	1.5
72.55000	0.7
73.02944	1.5
78.95197	0.6
78.95888	1.4
80.53107	0.7
83.05009	2.2
85.02937	1.2
85.06556	0.9
85.46766	0.6
87.00874	1.1
89.02431	3.5
95.04970	1.3
96.96002	1.1
97.02939	2.0
97.06524	0.7
101.02435	4.4
109.06600	1.5
111.08173	3.7
112.92193	0.7
113.02438	2.6
114.05602	0.9
119.03505	1.0
123.08151	1.1
125.02420	2.2
125.06017	0.7
125.09707	1.8
127.07600	0.7
138.37650	0.6
140.48878	0.6
143.03517	0.6
145.05130	0.8
147.62303	0.6
161.04527	2.3
163.11256	2.5
165.12836	3.1
169.01425	1.1
169.12332	1.5
171.10260	5.0
179.14351	1.3
181.12349	2.7
183.13812	1.4
185.11803	1.6
193.12331	0.9
193.16034	0.8
195.13881	5.7
197.11819	17.6
198.12186	1.4
199.13370	1.1
209.11787	4.7
211.13377	10.2
220.14580	1.7
221.15440	3.0
223.13434	3.2
227.12817	1.3
235.08258	3.0
235.16957	0.8
247.20563	3.4
251.16446	1.0
253.09273	21.1
254.09636	0.8
263.20062	1.5
273.18515	2.6
275.19937	1.1
277.21701	7.7
278.22391	0.8
289.18002	2.6
290.18393	1.9
291.19650	58.9
292.19980	6.0
293.21262	8.8
294.21548	1.0
305.20953	0.8
307.19070	3.3
309.20691	100.0
310.21014	11.6
311.21735	1.2
323.22241	21.1
324.22644	1.7
325.20203	6.1
326.20706	1.0
327.21689	2.1
345.19022	0.8
527.28766	1.9
545.29956	1.6
601.40594	1.3
660.65381	0.9
765.83899	0.7
837.50665	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.7
61.98825	1.9
64.00522	0.4
66.02912	0.4
66.66223	0.4
69.03460	0.8
71.01382	5.9
71.40505	0.5
72.99287	0.6
73.02946	0.7
83.01366	1.2
83.05020	1.3
85.02935	1.3
87.00874	1.8
89.02448	4.0
93.03426	0.9
95.05019	1.4
97.06582	0.6
97.12691	0.4
98.19891	1.6
99.00881	0.5
101.02446	5.0
105.03882	0.5
109.06577	1.1
111.08159	12.4
113.02433	2.4
113.09693	0.7
116.92863	1.3
119.03490	1.2
121.06658	0.5
123.08111	0.6
127.07641	0.9
131.03470	0.6
133.84134	0.5
135.08179	0.5
137.09740	1.6
139.11311	0.6
140.62494	0.5
143.03433	0.8
149.09726	0.8
151.11282	0.5
161.04564	1.7
167.10805	2.7
171.10252	0.9
171.81746	0.4
174.10799	0.5
177.12810	3.4
179.05586	0.7
179.10835	2.9
181.87030	0.5
191.14372	0.5
195.13893	10.0
197.11870	1.8
207.10251	0.7
223.13458	1.5
229.31854	0.7
235.08156	1.4
245.19102	1.3
247.20773	3.2
253.09256	7.0
273.18616	2.3
275.20193	4.2
276.20602	0.5
277.21695	2.4
289.18054	5.8
290.18494	0.6
291.19653	100.0
292.20016	10.1
293.21231	10.4
294.21552	0.8
307.19128	7.2
308.19452	0.8
309.20673	0.7
377.04871	0.5
462.24985	0.5
573.93518	0.5
689.72650	0.5
792.44653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.2
61.98568	0.9
61.98834	9.5
67.60851	0.8
69.03451	1.6
70.08754	2.7
71.01387	5.2
72.99335	0.7
73.02954	1.2
85.02960	1.6
87.00882	1.1
89.02439	3.5
96.96017	1.5
97.02969	2.2
97.06602	1.1
98.19987	1.2
101.02444	4.5
109.06548	1.1
111.08173	6.6
113.02452	2.2
119.66670	0.8
125.02425	3.1
127.07594	1.0
129.01907	0.7
133.05203	0.8
137.09729	1.1
149.04669	0.9
153.12825	1.1
161.04559	1.8
161.09683	0.9
165.12834	2.0
167.10851	1.1
169.01447	0.8
169.12308	2.6
171.10297	5.4
177.01971	0.9
179.14362	0.9
181.12323	1.6
183.13983	0.7
191.14439	0.9
195.13928	2.5
197.11848	32.8
198.12181	2.8
199.13365	2.3
201.11301	1.1
209.11775	2.6
210.12169	0.9
211.13412	7.0
211.37006	0.8
212.13657	0.8
221.15520	1.3
227.12840	2.0
229.14439	0.9
235.08195	2.7
247.20694	4.0
253.09303	20.7
254.09584	1.5
263.20096	2.4
264.20587	1.0
273.18497	2.4
289.18097	2.6
291.19672	33.1
292.19952	4.2
293.21112	5.6
307.19186	2.4
308.19348	1.7
309.20715	100.0
310.21106	12.0
311.21857	1.7
325.20053	1.6
327.21552	0.9
397.13483	0.9
527.28522	2.1
545.29785	6.6
546.30182	1.0
601.41034	1.7
687.80524	0.9
837.49774	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	837.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	15.6
61.98823	5.0
69.03442	3.1
70.97162	2.7
71.01382	14.2
72.99303	1.9
73.02937	2.2
81.03473	1.8
82.05090	1.2
83.01363	3.2
83.05038	1.8
85.02941	4.3
87.00878	3.3
87.73588	1.1
89.02433	9.2
92.07360	1.0
93.03468	1.3
95.01403	1.5
95.05051	1.4
96.96000	3.9
97.02943	5.1
97.06574	3.9
99.00875	1.2
101.02433	11.3
109.06541	1.6
111.00912	1.2
111.08161	7.4
113.02457	9.4
119.03511	2.5
119.57987	1.0
121.10230	1.2
123.04514	1.9
125.02419	1.9
125.09724	5.9
127.07729	1.4
127.11264	2.5
137.09705	3.5
142.59166	1.1
145.05093	1.4
151.11276	2.6
155.10785	1.2
161.04544	3.9
163.11263	5.0
165.09129	1.3
165.12820	5.2
167.10762	4.0
169.12309	2.0
171.10248	9.9
177.12840	3.1
179.10736	1.3
181.12363	2.8
185.11798	4.1
188.42403	1.4
191.10751	2.3
191.14352	3.7
193.12189	1.3
195.13910	13.7
197.11809	18.1
198.12068	1.9
199.13351	3.3
201.11308	30.2
209.11836	10.0
210.12140	1.5
211.13326	5.5
223.13347	6.9
225.11220	2.1
227.12901	9.8
228.13692	1.3
235.08165	3.5
244.66359	1.1
245.19046	4.4
247.20549	2.5
249.53732	1.1
253.09264	25.1
255.23293	6.2
256.13162	2.2
263.20163	2.5
273.18512	2.5
275.20123	10.3
277.21490	1.5
289.18082	23.5
289.88483	1.1
290.18353	3.3
291.19656	66.1
292.20023	6.9
293.21225	100.0
293.36026	1.3
294.21539	11.0
301.17816	1.0
304.43671	1.0
307.19092	20.2
308.19525	2.4
309.10779	1.2
309.20673	34.2
310.21008	4.8
311.21951	1.9
313.93237	0.9
393.50357	1.3
397.13516	8.3
415.14450	1.6
443.60532	1.4
448.43936	1.1
543.27966	1.4
767.71283	1.3
837.50146	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	837.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.7
70.05421	3.4
70.05801	6.5
71.01382	6.7
72.63630	1.7
80.59244	1.8
83.05004	2.0
85.02960	3.1
89.02454	7.2
93.03455	4.1
95.01405	2.3
95.34281	1.7
95.79271	1.6
96.41697	1.6
97.02927	2.2
101.02460	5.0
107.01387	6.1
111.04526	4.1
113.02461	3.4
119.03474	2.8
123.00885	4.7
123.04558	2.7
125.02450	65.8
126.02788	3.3
137.02431	4.7
139.00406	1.9
139.04030	1.9
140.01128	1.6
151.00349	3.3
155.03506	6.3
167.03470	9.5
168.00626	6.4
168.15234	1.5
169.01424	80.5
170.01735	4.7
173.04550	9.6
175.03923	1.9
177.01898	12.6
178.02237	2.2
189.27945	1.9
191.05614	9.1
193.12299	4.6
195.13860	5.4
211.02477	25.0
216.53706	1.8
243.02931	4.4
245.97151	2.0
261.04001	2.5
271.04587	32.4
295.10355	17.1
303.05161	2.7
325.05621	6.6
342.95453	1.7
343.06738	14.2
387.09256	5.4
389.10770	7.9
390.11295	2.3
433.13608	3.4
447.11414	100.0
448.11572	11.2
480.48361	2.0
493.09756	8.1
495.07697	15.4
496.08032	2.4
538.38617	1.9
677.84406	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	5.4
63.96223	2.2
64.37685	1.0
71.01382	11.5
73.02956	1.9
78.95888	3.0
78.98597	9.1
79.95731	19.2
80.96515	100.0
85.02953	3.5
87.00867	2.7
94.98084	21.4
96.95995	1.7
100.66250	1.1
101.02422	2.4
106.98048	4.3
121.88060	1.2
122.97607	6.1
125.02413	3.5
132.18320	1.0
134.97571	7.0
136.99049	2.2
148.99176	7.2
152.98628	6.2
164.98625	12.3
175.40979	1.0
206.99593	1.7
225.00726	16.3
228.67677	1.4
277.21698	3.5
515.50726	1.2
530.32263	1.2
544.55139	1.2
559.25946	2.0
580.33710	1.2
837.48206	78.5
838.48718	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	836.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98525	0.2
70.83224	0.2
70.83541	0.1
78.95927	0.6
80.59241	0.1
80.96521	0.2
91.19254	0.1
92.43571	0.1
93.75910	0.1
141.44440	0.1
230.27560	0.1
277.21780	0.1
278.22220	0.2
448.98102	0.1
553.36694	0.1
819.14398	0.1
836.41888	0.1
837.49988	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	837.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	0.9
60.63076	0.7
67.01889	1.1
69.03449	1.8
71.01379	0.8
71.35762	1.5
73.02990	0.7
74.05215	0.6
83.05030	2.3
85.02967	2.2
87.00886	2.4
91.29102	0.6
93.03454	10.9
95.01373	1.0
97.02934	0.9
99.04498	0.8
101.25425	0.7
107.01382	8.0
109.02927	1.1
111.00871	1.3
111.04523	6.4
123.00889	1.6
125.02446	56.1
126.02796	2.5
135.08171	0.7
137.02449	5.2
139.00439	1.0
139.04045	0.7
155.03520	7.7
160.96399	0.7
165.01875	0.8
166.99901	0.8
167.03485	1.9
168.00542	0.9
169.01422	99.2
170.01744	3.7
170.69151	0.7
173.04536	21.9
174.04784	1.1
175.03979	1.6
177.01913	5.0
178.02301	0.7
191.03963	1.3
191.05621	17.8
191.07326	0.9
193.12340	3.0
195.13895	1.1
201.05470	0.8
211.02463	0.9
219.02910	1.1
236.14084	0.8
243.03046	1.7
245.04451	1.2
261.03860	0.9
303.05173	0.9
325.05569	11.7
343.06699	18.3
423.07635	0.7
477.06714	0.9
495.07791	100.0
496.08090	13.9
622.88605	0.7
864.93719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	61.0
73.52030	8.5
75.93726	8.5
80.35617	8.6
81.34602	10.2
83.05931	8.9
134.88449	9.4
155.40361	8.6
171.10262	9.6
183.25821	10.3
209.11880	20.0
235.08255	10.6
255.23308	100.0
277.21918	13.0
279.23349	11.2
289.18192	15.8
307.19073	37.8
325.20279	22.6
353.28253	9.2
442.44424	10.2
466.97119	9.7
661.52277	10.8
781.51697	42.5
782.51440	13.3
835.49457	18.5
847.27979	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	835.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00570	0.6
59.01377	5.1
61.63863	0.5
61.98830	97.2
62.98537	1.0
63.99262	1.0
69.03456	1.1
70.97474	1.3
71.01386	4.7
71.05020	2.3
73.02959	0.7
78.95910	0.8
80.02671	0.8
81.03444	0.8
83.01405	0.8
83.05039	0.9
85.02972	1.4
87.00880	0.7
89.02451	2.9
95.05042	1.2
97.02964	1.6
97.06626	1.1
101.02435	4.7
106.04269	0.8
109.06591	7.5
111.04530	2.7
111.08157	6.5
113.02451	1.8
119.03536	1.1
123.00868	0.5
123.08138	1.0
123.83599	0.5
125.02471	1.8
127.07648	1.7
135.08183	0.7
137.09755	1.0
143.10780	0.9
145.05116	0.8
145.06567	1.8
149.09711	0.7
151.11278	0.8
153.09131	0.6
156.14267	0.5
161.04527	1.7
163.11240	0.8
164.88036	0.5
165.12787	0.6
167.10800	1.6
169.01445	1.2
169.12340	2.4
171.10289	1.9
177.01938	0.7
177.12796	0.8
179.05544	1.2
179.10789	1.2
181.12288	1.1
191.14468	0.8
195.13953	3.0
197.11824	30.9
198.12126	2.0
199.13364	1.1
209.11792	1.1
211.13423	3.7
223.13338	0.7
227.13057	1.0
235.08267	3.4
237.07344	0.5
245.19096	4.2
247.20683	0.8
251.16493	0.6
253.09274	14.3
254.09540	1.3
255.23386	0.6
263.20010	1.5
265.18155	0.8
271.17004	0.6
273.18539	1.2
277.21570	1.0
279.23419	0.7
287.16541	2.1
289.18088	100.0
290.18448	9.9
291.19662	17.3
292.19952	1.7
293.21292	0.9
300.16046	1.0
307.19211	6.5
309.20718	43.0
310.21030	4.0
344.18533	1.3
347.73825	0.6
525.26978	2.5
545.30432	0.7
565.14886	0.6
581.38495	0.8
836.51569	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	835.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.5
61.98830	100.0
63.99251	0.8
69.03474	1.4
71.01373	5.8
71.52604	0.7
73.02945	1.3
78.91901	1.6
80.96533	0.8
81.03474	0.9
83.01375	1.2
83.05037	1.2
85.02968	1.3
87.00897	1.4
87.49386	0.7
89.02461	2.6
90.59856	0.6
95.01394	1.0
95.05057	1.2
97.02988	1.2
97.06608	2.4
98.03737	0.6
101.02438	4.3
109.02984	0.8
109.06572	0.8
111.00878	1.1
111.08173	2.5
113.02462	2.9
123.04587	0.8
123.08179	1.5
125.02479	1.6
125.09730	8.2
127.40800	0.6
129.96844	0.6
135.08180	3.4
137.09761	1.8
139.07690	2.7
139.11288	1.0
141.09232	1.5
151.11385	1.1
153.09183	3.9
155.10779	11.8
161.04582	1.9
163.07610	0.6
163.11241	0.9
165.09175	1.2
167.10725	0.9
171.10309	2.4
175.07719	0.6
177.09221	0.9
181.08786	1.1
181.12407	1.6
183.10234	7.9
185.11899	2.8
191.14514	0.7
195.10342	1.1
195.13855	4.4
197.11751	0.9
199.09732	5.8
201.11305	3.8
207.10286	1.3
209.11905	1.7
213.11334	14.3
213.13222	1.1
223.13457	4.5
225.11377	1.3
235.08246	1.7
243.17622	2.3
245.19159	1.2
253.09273	11.5
254.09555	1.0
261.18640	1.5
275.20181	4.2
277.21811	1.1
279.19699	3.3
287.16534	6.0
289.18225	3.3
291.19724	5.5
292.20181	0.8
293.21234	56.9
294.21564	5.8
305.17584	12.1
306.18146	1.6
307.19266	3.5
309.20798	1.1
323.18658	16.7
415.47958	0.6
419.19324	7.4
445.05316	0.7
541.26923	2.5
559.28033	1.5
731.36432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	1.2
58.70716	0.7
59.01378	13.3
60.36723	0.7
61.55057	0.6
61.80819	0.8
61.98830	12.1
69.03448	2.7
71.01377	15.6
73.02928	2.1
75.00857	1.3
78.95940	1.0
81.03460	2.2
81.41096	0.8
83.01385	2.9
83.05031	2.5
84.02147	0.9
85.02959	4.5
87.00880	2.9
88.93012	0.9
89.02435	8.8
93.03460	1.0
95.01372	1.7
95.05001	1.7
96.96003	0.9
97.02943	4.3
97.06590	6.5
97.54279	0.8
98.20673	2.5
99.00867	2.1
99.92601	0.8
101.02437	10.1
103.06148	0.7
106.04263	1.1
107.05025	0.8
109.02962	0.9
109.06596	2.2
111.08164	16.0
113.02464	5.8
113.09710	1.1
114.05621	3.3
116.92867	1.8
119.03486	2.1
121.06602	1.6
123.04528	3.2
123.08125	1.7
125.02454	2.1
125.06081	1.0
125.09702	8.0
127.07665	1.8
135.08145	1.6
137.06042	1.0
137.09734	3.8
141.09224	0.9
143.03471	1.7
145.05103	2.0
149.09715	0.8
151.07648	1.1
151.11250	3.4
153.12848	1.3
161.04544	4.3
161.09747	1.2
163.07707	0.9
163.11285	8.5
164.08379	1.1
165.09196	1.0
165.12819	6.0
167.10765	1.1
169.12328	8.7
171.10257	2.6
175.11263	0.8
177.12865	2.1
179.05592	1.8
179.10764	2.7
181.12292	5.1
183.13911	2.1
185.11838	6.2
186.12259	1.0
191.10806	1.7
191.14441	7.5
193.12344	1.8
195.13841	4.9
197.11824	75.6
198.12135	4.5
199.13409	5.1
203.10838	1.2
207.10222	2.9
209.11824	22.8
210.12152	1.7
211.13380	12.8
212.13708	1.3
217.15921	1.6
219.13939	1.1
221.11757	1.1
223.13399	2.1
225.11227	3.4
227.12883	4.5
229.23236	0.8
235.08209	6.3
235.13287	1.5
237.11311	6.0
237.14909	1.3
245.19078	18.5
247.13290	2.2
247.20631	1.7
253.09282	35.9
254.09605	1.7
261.18597	1.3
263.20163	14.2
265.14462	1.8
265.18008	1.7
271.16992	2.7
273.18661	1.9
275.20212	1.1
277.21628	2.5
279.19626	1.5
279.23181	1.2
287.16666	1.3
289.18082	80.4
290.18420	7.6
291.19644	33.8
292.19955	3.7
293.21249	14.5
294.21671	1.4
302.79062	0.8
305.17606	4.1
307.19141	89.3
308.19479	9.2
309.20706	100.0
310.21011	9.3
325.20047	1.0
445.20682	2.9
525.26801	2.3
543.28003	5.2
544.28455	0.9
545.29901	1.6
583.17303	0.8
599.39343	0.9
737.41235	1.1
777.43646	1.0
817.47424	1.1
835.48492	5.4
836.49091	2.6
853.31433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	13.8
61.98828	16.4
66.04870	1.0
68.99830	0.9
69.03445	3.6
70.08510	1.8
70.08925	3.7
71.01377	17.0
71.05037	1.4
73.02943	2.7
78.95935	1.2
80.02670	1.3
81.03465	1.8
83.01389	2.9
83.05019	1.6
85.02937	4.5
85.70723	0.9
87.00877	3.8
89.02447	9.5
93.03462	1.5
93.72081	1.1
95.01376	2.0
95.05015	2.4
97.02950	3.9
97.06594	6.1
97.25355	1.0
99.00871	1.2
101.02437	13.1
102.54678	1.1
106.04224	2.1
107.05051	3.1
109.06576	5.6
111.00877	2.0
111.08154	17.9
113.02489	7.3
114.05590	6.6
119.03471	2.4
121.02965	1.6
121.06586	2.1
123.04546	2.8
123.08122	2.5
125.02431	1.9
125.09760	8.4
135.08136	3.0
137.09685	3.6
141.19604	1.0
142.02667	1.1
148.93805	0.9
149.06117	1.7
149.09729	1.2
151.07629	4.9
151.11311	2.1
152.07977	1.1
153.09216	1.3
153.12907	2.8
161.04532	6.5
163.11281	7.5
165.12833	4.3
167.10741	1.8
169.12346	8.4
171.10271	6.3
177.12868	2.4
179.05626	2.3
179.10811	2.0
179.14326	1.1
181.12318	4.9
185.11809	7.9
190.34825	1.1
191.02003	1.4
191.10838	1.2
191.14413	10.5
193.01308	1.4
193.05132	1.2
193.12361	1.2
195.13896	5.9
197.11827	94.3
198.12209	4.3
199.13361	4.8
201.11201	1.7
203.10869	1.0
203.14355	1.5
207.10210	3.5
209.11801	22.7
211.13402	13.6
217.15968	2.2
221.11797	1.7
223.13377	3.0
225.11343	4.8
225.15045	1.2
227.12886	5.1
235.08220	6.9
235.13373	2.9
237.11295	6.7
237.14940	2.5
243.17734	1.5
245.19075	18.8
246.19420	1.4
247.13448	6.0
247.20702	1.9
253.09282	42.9
254.09628	2.6
261.18460	2.7
263.20132	10.8
264.20630	1.2
265.14410	2.5
265.17975	3.1
271.17078	3.7
273.18686	1.3
275.19925	2.3
287.16565	3.0
289.18088	100.0
290.18478	9.5
291.19653	40.4
292.19879	4.7
293.17902	1.8
293.21194	25.7
294.21597	2.5
305.17603	11.3
306.17889	1.2
307.19153	95.2
308.19516	9.1
309.20703	98.8
310.21085	10.4
325.20294	2.4
525.26868	2.2
541.26501	1.9
543.27960	3.6
545.29523	2.7
599.39435	1.8
777.43774	1.5
817.47174	2.1
835.48462	2.1
836.48425	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	835.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	24.5
61.98833	65.9
71.01383	25.3
71.34293	1.7
72.99287	3.2
73.02946	3.7
73.63810	1.1
78.51460	1.2
81.03475	1.3
83.01378	3.0
83.05017	1.5
85.02951	4.9
87.00862	3.6
89.02455	13.9
97.02934	1.8
97.06573	1.6
99.00887	2.7
101.02454	14.5
109.02942	1.5
111.08192	1.5
113.02439	7.2
116.92879	1.9
119.03521	3.3
125.02467	12.5
137.02499	2.8
143.03485	3.2
161.04570	2.5
165.12831	11.4
167.03439	2.2
169.01450	7.6
177.01952	2.7
183.13901	100.0
184.14265	5.5
185.47397	1.3
209.11832	7.6
211.13365	1.7
221.06657	3.1
227.12959	9.6
235.08215	1.9
255.06738	1.4
278.31427	1.4
397.13486	5.6
409.14014	1.4
415.14221	1.6
573.82990	1.4
625.27203	3.8
791.40338	6.6
817.38239	5.6
835.39667	94.7
836.40259	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.4
67.01890	1.0
69.03442	1.4
69.06360	0.8
71.01379	1.7
71.21583	0.8
71.54639	1.2
71.55020	1.3
81.03407	0.9
87.00871	1.2
95.01389	2.4
96.96027	4.9
97.02960	1.6
101.02436	1.6
107.01380	7.9
109.02928	0.9
111.00882	2.1
117.70253	0.8
118.28446	0.8
123.00890	10.0
124.01668	2.8
125.02448	55.0
126.02750	1.7
135.38210	0.8
137.02446	1.6
139.00374	2.8
139.04027	1.0
140.01097	2.0
144.04521	1.1
148.26688	0.8
149.02461	1.4
151.00325	6.0
151.04005	1.4
158.95000	0.9
161.02394	1.1
165.01930	1.0
167.03477	4.0
168.00616	3.5
169.01414	55.4
170.01729	2.9
175.03951	1.2
177.01920	9.1
178.02124	0.9
178.43152	0.8
179.03505	1.2
181.05150	0.9
193.01305	1.0
194.96249	0.9
243.02977	3.3
255.03058	1.0
261.03986	1.1
263.57526	1.0
285.03998	1.0
293.06958	4.8
303.05167	1.6
305.06635	2.1
313.05765	2.1
371.09747	1.5
389.10861	35.9
390.11124	2.6
423.07281	1.3
457.07809	1.2
471.34671	1.0
541.11963	100.0
542.12250	16.0
624.48260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	24.9
65.65161	0.7
67.01878	1.5
69.03451	2.2
71.01372	1.9
73.02945	2.3
81.03445	1.5
83.05019	1.8
85.02958	6.1
85.88515	0.8
87.00875	2.0
89.38730	0.7
91.01900	1.5
92.01337	0.8
93.03443	5.0
95.01384	1.5
97.02945	2.1
98.20647	1.7
99.04508	3.7
107.01398	2.8
108.02190	1.1
109.02962	1.0
109.06593	18.7
109.07337	1.0
111.00867	1.1
111.04518	14.0
123.00880	2.5
123.04538	9.8
123.08166	2.2
124.01627	1.9
125.02448	56.1
126.02792	1.1
135.04532	3.6
135.07198	1.4
135.08165	22.1
136.08505	0.8
137.02432	5.5
137.09717	15.8
138.06842	3.0
139.04047	1.2
149.02451	1.0
149.09712	6.1
150.10107	0.8
151.04002	0.9
152.01140	1.1
153.01884	1.0
153.09213	6.8
155.03510	12.5
161.02496	1.3
163.11281	9.5
165.01912	1.0
167.03496	26.2
167.10782	8.3
168.11205	0.9
169.01422	65.6
170.01744	2.6
173.04533	12.4
175.04008	2.1
175.07643	1.1
175.11331	1.1
177.01929	6.9
177.09203	24.3
178.09561	1.4
179.03459	2.9
183.02983	1.1
185.22572	0.7
191.05624	1.1
191.10760	6.9
193.12328	100.0
194.12672	6.5
199.03947	1.0
211.13394	42.4
212.13770	2.6
217.05032	0.8
217.12292	5.5
235.13388	24.6
236.13699	2.4
243.02980	3.3
245.04498	1.5
253.14430	21.5
254.14835	1.5
255.12328	2.7
261.04150	1.6
297.13422	10.8
303.05093	1.3
305.06635	2.3
313.05762	1.6
319.04498	1.1
323.07678	1.6
325.05597	11.2
341.08618	3.5
343.06659	1.2
417.14111	2.4
423.07437	1.1
449.10764	2.2
493.09830	67.6
494.10141	9.6
754.03973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
61.98830	100.0
71.01381	0.3
71.52811	0.5
78.95905	0.6
96.96015	0.4
101.02396	0.3
121.02917	0.3
125.02447	1.0
126.86845	0.2
137.02509	0.2
144.67654	0.2
167.03474	0.4
167.53546	0.2
169.01445	0.5
171.10275	0.3
177.14726	0.2
207.82941	0.3
211.13455	0.5
235.08438	0.2
253.09312	0.8
289.18088	2.3
291.19821	0.8
306.99063	0.2
307.19092	0.7
309.20737	1.8
388.78595	0.2
432.99390	0.2
562.79327	0.2
834.51971	0.6
835.51764	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
60.14064	0.3
61.98829	100.0
71.01383	0.4
71.52495	0.4
78.95921	0.6
94.65144	0.3
116.92844	0.4
125.02422	0.4
214.66939	0.2
291.19794	0.4
293.21390	0.9
471.84210	0.3
636.48151	0.3
834.51324	0.4
835.48090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	15.0
61.97211	2.5
61.98830	14.6
63.02400	5.6
65.00322	8.4
68.20780	2.7
69.27010	22.0
71.01040	2.2
71.01376	13.1
72.99335	2.9
73.02945	4.6
78.95918	7.6
83.01408	6.8
85.02966	6.3
89.02415	4.2
93.03425	2.6
95.01394	7.8
96.01600	2.1
96.96011	45.4
96.96953	5.1
97.02949	3.4
101.02460	5.2
105.53159	2.5
107.01402	15.0
109.02950	13.3
111.00877	3.8
113.02451	3.0
116.92862	3.0
123.00890	22.4
124.01673	3.5
125.02450	75.1
126.02731	3.2
126.90407	8.4
127.04014	2.6
137.02446	33.9
138.03250	11.4
139.00403	6.3
140.01158	4.4
145.06630	2.3
150.03146	2.3
151.00365	47.2
155.03510	2.2
161.02383	2.6
163.00397	2.7
164.04843	2.2
165.01955	6.0
166.99843	7.7
167.03482	5.0
168.00626	5.3
169.01428	100.0
170.01756	5.6
173.05992	2.7
174.95418	2.3
175.03955	4.4
176.04784	4.4
177.01936	8.0
178.99846	29.7
191.07155	7.3
193.01341	5.6
193.08673	26.3
199.13480	2.3
207.10205	2.5
209.11836	8.8
213.03578	2.2
215.03343	2.8
219.06526	6.1
235.06062	5.6
237.07666	32.2
243.83168	2.3
253.67422	2.4
257.27524	2.2
267.07617	2.7
271.02448	7.5
279.05090	4.4
281.06638	5.5
297.05994	3.4
316.02267	9.2
317.03021	84.0
318.03284	4.0
449.07169	8.9
517.13464	90.3
518.13977	15.0
543.31439	7.5
615.09869	5.2
683.32648	2.9
739.94189	2.6
791.37366	4.0
835.17303	31.1
835.34381	8.5
836.17279	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	831.504
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69654	4.8
66.30034	4.8
78.95905	74.8
80.96503	8.7
96.96946	19.0
131.25786	6.2
140.15315	5.8
152.99562	22.5
160.66623	5.5
223.00052	5.9
234.39099	5.3
241.01225	31.6
250.76346	5.4
255.23225	51.3
277.21698	31.3
281.92279	6.4
391.22366	6.3
440.51456	5.1
508.86597	5.2
553.27832	6.1
575.26093	6.0
699.02484	7.4
831.50183	100.0
832.50293	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	16.0
61.98818	2.4
71.01384	1.5
71.14779	1.1
71.15131	0.9
78.73228	0.8
78.95892	5.8
78.98576	0.7
79.95728	0.9
80.96505	1.9
89.02441	1.1
96.96977	1.7
142.51335	0.7
152.99524	1.6
235.08246	1.6
241.01236	2.3
253.09264	4.4
255.23273	4.6
256.23651	0.8
277.21704	100.0
278.22113	10.1
279.23251	2.3
316.73615	0.7
379.61649	0.7
515.11621	0.8
608.51678	0.7
833.51581	8.4
834.51703	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	834.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.2
61.98829	100.0
62.98525	0.2
71.01402	0.3
71.52680	0.2
71.53063	0.3
76.29546	0.2
78.95913	0.8
80.96539	0.2
85.81125	0.2
86.81498	0.2
88.28221	0.2
102.31610	0.2
107.32746	0.2
110.56028	0.2
116.06682	0.2
125.02431	1.4
126.47913	0.2
131.71863	0.2
148.76048	0.2
169.01485	0.6
171.10309	0.3
177.02068	0.3
211.13466	0.6
253.09358	0.4
255.23663	0.3
256.23566	0.3
289.18130	1.7
291.19867	0.7
307.19220	1.2
309.20837	0.9
545.31244	0.2
724.27905	0.3
834.52191	1.0
835.50537	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.6
68.99833	2.9
71.01370	17.6
72.99294	6.7
75.00856	8.5
82.16839	2.2
85.02943	15.8
87.00874	5.7
89.02424	4.3
95.01389	3.1
99.00871	8.2
104.05063	9.7
106.06631	4.9
113.02448	19.9
115.00468	2.0
120.04512	2.8
122.06053	2.7
125.02437	6.4
132.04526	7.3
134.06067	4.6
148.04033	60.3
149.04431	3.2
152.07292	2.2
166.05084	38.7
169.01395	5.3
183.02977	11.3
208.06342	3.8
210.04083	6.2
210.08006	4.6
211.08679	2.5
221.10722	3.5
223.08740	27.7
224.09433	8.7
225.10327	17.6
226.10622	2.5
234.07988	2.6
235.08702	5.8
236.05949	5.0
237.10268	7.6
239.11839	6.9
248.09410	3.5
249.06177	4.1
249.10320	13.3
250.07356	12.3
251.08228	63.3
252.08675	6.2
263.08176	2.4
265.09760	49.4
266.10123	5.5
267.07175	27.9
267.11365	18.1
268.11710	3.7
293.09296	69.4
294.09659	9.9
311.10315	18.9
312.10559	2.3
327.09967	2.4
400.13065	6.7
414.14511	5.6
440.12686	4.2
442.14023	9.4
443.14334	3.3
458.13501	35.7
459.13831	6.7
486.12933	25.1
487.13141	2.4
504.14243	9.4
530.11884	7.2
736.20105	4.9
754.20923	87.9
755.21069	18.6
780.19214	5.0
798.19855	100.0
799.20239	23.7
830.22858	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	830.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.34122	0.2
62.98538	0.3
62.99241	0.2
70.40150	0.4
70.40514	0.4
73.75142	0.2
78.95897	0.3
97.90915	0.2
102.66095	0.2
106.40990	0.2
292.25745	0.2
342.24466	0.2
524.22095	0.2
732.55640	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28525	0.1
61.98831	100.0
65.91040	0.2
71.01389	0.9
77.44981	0.2
78.95911	0.5
78.98602	0.6
79.95744	2.7
80.96516	6.9
87.00879	0.2
94.98097	1.4
101.02444	0.3
106.98118	0.4
122.97615	0.7
125.02452	0.3
134.97598	0.3
148.99211	0.5
150.02811	0.2
152.98676	0.5
158.07973	0.2
164.98607	1.1
206.99796	0.3
225.00760	2.2
225.02774	0.3
255.23439	0.4
277.21765	0.3
283.04630	0.3
298.60275	0.2
341.05396	0.2
447.76401	0.2
451.88251	0.2
537.27960	0.3
741.21619	0.2
830.49609	0.6
831.49371	8.9
857.64661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72435	0.4
59.01384	2.6
67.01900	0.5
69.03453	1.2
69.31963	3.1
71.01392	0.8
79.01891	0.6
80.95326	0.4
81.03469	0.6
85.02966	1.3
89.02444	0.4
94.41882	0.4
95.01403	0.6
96.96001	0.5
96.99166	0.4
97.02961	1.2
101.02451	1.0
107.01395	5.0
109.06623	1.4
111.00895	0.9
113.59547	0.4
123.00896	3.7
125.02454	70.2
126.02792	2.8
135.08163	1.5
137.09750	1.2
139.00385	1.5
140.01080	0.5
149.09764	0.6
151.00369	2.9
153.09212	0.5
163.04089	0.5
163.06129	1.7
167.03514	0.4
167.07199	0.4
167.10864	0.4
168.00639	1.3
169.01425	100.0
170.01768	4.2
171.01877	0.5
177.01961	0.6
177.09209	1.8
193.01515	0.9
193.12329	6.2
195.13889	1.6
211.02521	3.5
211.13425	1.9
212.02757	0.5
225.62376	0.4
235.13412	1.4
241.92209	0.4
243.76378	0.4
246.02054	0.4
253.14502	0.7
271.04660	2.3
272.04895	0.4
313.05612	0.7
315.07306	4.0
316.07376	0.4
331.06781	0.6
333.08075	2.3
389.67374	0.4
423.05692	1.1
483.07541	9.9
484.08069	2.2
485.09317	76.2
486.09656	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	829.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
69.03455	1.4
71.01389	0.9
71.53378	0.4
73.02950	0.3
75.00877	0.5
76.33271	0.3
81.03477	0.5
83.01381	0.6
85.02977	0.5
87.00873	0.4
95.01401	0.7
96.96036	0.5
97.02935	0.9
107.01405	0.3
109.02988	0.7
115.00352	0.3
121.02950	1.4
123.00903	0.7
124.01656	0.5
125.02446	57.5
126.02790	2.0
136.15712	0.3
137.02444	1.6
139.04021	0.5
149.02426	2.3
160.85201	0.4
161.02461	2.6
162.02281	0.6
164.04811	1.0
165.01907	0.5
165.04010	1.7
167.03511	1.1
169.01421	100.0
170.01770	5.0
175.02480	0.3
177.01920	0.5
177.05592	0.6
179.03465	0.5
193.01395	1.7
200.38081	0.3
201.05611	0.4
219.06596	0.6
223.06030	1.7
249.06038	0.4
269.04572	0.9
287.05609	1.4
305.06628	4.3
306.06946	0.3
319.04669	0.4
331.04639	1.4
371.09726	1.6
457.07794	8.1
458.07959	1.1
491.88696	0.4
840.07996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	28.4
68.47279	1.1
69.03460	2.0
69.28688	10.5
71.01389	2.0
73.02935	2.3
85.02938	8.2
87.85814	1.1
99.04515	4.7
107.01392	4.2
109.02987	1.6
109.06584	17.2
111.04536	8.4
123.00866	3.2
123.08177	1.8
124.01619	1.8
125.02453	52.6
125.06072	1.8
126.02811	1.1
135.08163	21.5
137.06155	1.2
137.09723	13.7
138.06868	3.3
139.00388	1.2
139.03030	2.1
139.04022	30.9
149.09702	5.3
151.00391	2.0
153.09192	7.0
161.02454	1.4
163.11273	11.9
167.03520	1.2
167.10765	8.8
168.00647	3.8
169.01430	55.1
169.05066	50.6
170.01746	1.9
170.05374	2.8
177.01889	2.2
177.09216	28.0
178.09573	1.8
179.10893	1.1
191.05612	6.5
191.10721	6.6
193.12332	100.0
194.12675	6.1
211.02458	5.5
211.13396	39.7
212.13708	2.5
217.12331	4.3
235.13422	22.5
236.13759	1.6
253.14410	14.9
255.12360	2.0
257.36377	1.2
271.04639	7.7
287.07840	2.1
297.13361	9.4
313.05585	7.4
331.06628	8.0
331.10349	6.5
332.10657	1.3
439.08722	13.3
440.09006	1.6
453.10406	1.4
481.11792	1.9
483.07208	16.0
483.11356	46.7
484.12637	5.6
620.27856	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	7.0
61.39077	1.6
61.98829	15.3
65.00322	2.4
65.67838	1.3
67.01860	2.5
69.03445	2.2
69.31127	10.1
71.01366	5.2
73.02953	1.7
75.00859	2.6
79.01892	2.1
81.03487	2.5
83.01375	2.0
85.02962	3.1
89.02444	1.7
95.01371	5.6
96.95995	4.7
97.02930	2.2
98.20614	2.1
99.00891	1.6
101.02436	3.4
107.01392	16.3
109.02949	1.5
111.00866	5.1
112.65554	1.3
113.02405	3.8
116.92806	3.2
121.02975	1.5
123.00871	19.2
124.01635	4.5
125.02447	81.3
126.02736	4.0
127.00371	2.3
136.98770	4.0
137.02428	3.0
139.00389	8.8
139.01268	1.7
140.01146	7.1
151.00415	10.5
151.03918	1.5
161.02382	1.6
162.05496	1.7
165.01865	1.4
166.02611	1.6
167.03465	1.9
168.00665	9.3
168.82253	1.3
169.01422	81.7
170.01778	4.1
177.01865	3.7
181.05086	1.6
285.03958	1.4
313.05612	2.1
361.71817	1.4
525.52014	1.7
538.00153	1.8
538.07745	1.4
639.87256	1.6
641.28210	1.5
655.33136	2.2
673.22797	2.0
673.34149	16.2
674.34937	3.4
825.35461	100.0
826.21149	1.4
826.35760	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64531	18.1
60.83487	15.8
61.98822	100.0
64.94897	17.4
69.20313	80.3
69.20747	83.7
69.67740	16.2
78.95902	21.3
80.96519	30.9
87.49745	17.3
175.03052	21.8
191.78011	16.3
196.89427	65.1
211.60403	16.9
252.53276	19.7
277.21692	43.6
291.19720	49.4
445.90057	17.8
738.25427	19.5
744.12213	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	825.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.2
61.22900	0.5
63.10580	0.4
69.03449	1.2
69.42482	1.8
69.42908	2.0
71.01378	2.1
72.99322	0.5
73.02962	1.0
79.01922	0.7
82.76139	0.5
83.01373	0.6
85.02963	1.7
89.02452	0.6
95.01359	1.4
97.02964	1.0
101.02431	1.8
107.01389	3.9
109.06572	1.0
111.00892	1.5
114.37820	0.5
119.05054	0.8
123.00907	4.5
124.01656	1.2
125.02446	39.4
126.02784	1.5
135.08174	1.5
136.98753	0.6
137.02417	0.9
137.09718	1.4
139.00336	2.7
139.04045	0.8
140.01161	2.1
140.10829	0.5
151.00386	2.2
153.01994	0.6
163.04048	1.4
163.11258	0.6
165.01920	0.9
166.99905	0.7
167.03455	1.2
167.10747	0.8
168.00621	5.7
169.01422	58.3
170.01746	1.5
177.01875	0.6
177.09209	2.2
181.01480	2.7
183.02910	1.1
191.05637	3.0
193.01434	6.0
193.12323	7.1
207.02992	0.6
211.02461	23.7
211.13396	2.0
212.02791	1.3
217.01369	0.9
223.02489	0.6
235.02437	1.6
235.13408	1.0
241.03500	1.7
253.03450	2.0
253.14450	1.3
271.01797	1.2
271.04581	16.8
272.04962	0.7
297.13492	0.7
313.05576	3.4
331.06738	2.7
405.04529	0.7
423.05728	13.2
423.11267	0.5
424.06125	0.9
441.39148	0.6
481.10977	0.8
483.07773	100.0
484.08124	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	825.211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.4
59.15873	0.7
62.89565	0.7
68.87835	0.6
69.03436	1.1
71.01352	2.6
83.01347	1.2
83.31985	0.8
85.02941	3.6
95.01388	1.1
97.02957	0.9
99.04474	1.1
107.01413	4.6
109.06572	5.1
111.00893	1.3
111.04473	2.3
113.02430	1.7
123.00887	4.2
124.01640	0.8
125.02448	55.6
126.02773	1.5
127.92115	0.6
135.08163	6.5
137.02373	1.1
137.09712	4.5
139.00337	1.5
139.03995	5.7
140.01096	1.6
147.47882	0.6
149.02448	1.0
149.09657	1.1
151.00301	2.3
151.03923	0.7
153.09119	1.8
161.02411	1.7
163.03998	0.8
163.11229	2.9
167.03452	1.9
167.10765	1.4
168.00626	8.2
169.01422	88.4
169.05057	6.5
170.01721	3.8
177.01903	1.4
177.09224	8.2
183.02843	0.9
191.05637	7.0
191.10777	1.6
193.01419	4.1
193.12328	26.3
194.12709	1.5
211.02490	21.8
211.13399	9.8
212.02785	1.2
212.13716	0.8
217.12202	1.3
235.13354	6.0
241.03455	3.0
253.14355	3.6
271.04568	18.9
272.04813	1.2
297.13492	1.7
301.07162	0.9
308.89096	0.8
313.02866	0.6
313.05661	8.2
314.06076	1.0
331.06970	3.5
331.10181	1.2
332.06546	0.9
423.05484	1.3
439.08649	2.3
463.09875	0.8
481.11597	1.1
483.07599	100.0
484.07907	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	823.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.4
58.76238	0.3
59.01115	0.5
59.01384	7.6
61.98835	0.6
69.03438	1.0
71.01000	0.5
71.01377	6.8
72.99286	0.5
73.02943	2.4
79.54080	0.3
81.03452	0.4
83.01379	1.3
84.04961	0.3
85.02945	5.5
86.00105	0.5
87.00874	2.5
89.02448	4.0
95.01381	0.7
97.02956	1.7
97.06584	2.1
99.00877	0.7
101.02448	7.9
103.04072	0.3
113.02443	3.0
119.03501	1.2
119.08646	0.3
125.02409	0.4
125.09696	0.7
127.11273	1.0
133.05072	0.8
133.33043	0.3
137.09695	1.2
143.03503	0.7
145.05051	1.7
155.10771	0.8
155.14372	0.5
157.05035	1.1
161.04573	2.7
165.12888	0.5
171.10266	13.2
172.10555	0.7
179.05627	0.6
183.13899	2.0
185.11845	0.4
193.12300	0.9
195.56232	0.3
197.11877	0.8
201.11273	0.5
209.11774	0.8
211.13403	8.1
213.40239	0.3
221.11847	1.5
229.14430	5.4
235.08218	20.2
236.08514	0.7
239.12865	0.8
253.09277	20.9
254.09601	1.1
259.20581	0.5
275.20270	0.4
277.21707	100.0
278.22031	9.1
291.19681	3.8
295.22766	2.2
309.20709	10.1
310.21106	1.2
327.21750	60.4
328.22104	6.2
513.30591	0.7
545.29498	1.7
563.30969	1.5
587.43280	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97243	0.4
59.01387	3.2
61.98813	1.3
65.19804	0.4
69.20107	3.0
71.01350	0.5
74.52214	0.4
83.05026	1.2
93.03484	0.8
95.05017	1.4
97.06625	0.7
98.20642	0.9
107.05045	0.5
109.06550	0.8
111.08154	16.1
112.08496	0.4
113.09705	1.4
119.04996	0.5
125.02411	0.6
135.11754	1.0
137.09715	1.4
137.90938	0.4
149.09700	1.1
151.11272	0.4
153.09171	0.6
163.11156	0.4
165.12820	0.5
167.10751	3.6
169.01492	0.6
169.12315	0.5
177.12888	3.3
178.13150	0.4
179.10751	3.3
183.75275	0.4
195.13896	10.4
196.14204	0.6
197.11818	1.0
203.14424	1.0
209.11781	1.2
210.67271	0.4
223.13396	1.6
231.17479	0.4
247.20679	4.8
248.21057	0.5
253.09256	0.6
273.18588	2.5
277.21732	1.3
291.19653	100.0
292.19989	8.0
295.19070	0.9
309.17236	0.6
309.20541	1.8
314.01581	0.4
364.81595	0.4
373.32281	0.4
504.23099	0.4
508.01215	0.5
762.81543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.9
67.01907	1.2
69.03472	1.6
69.20741	2.4
69.21166	1.9
71.01405	1.7
72.85994	0.4
73.02966	0.6
81.03476	1.4
83.01378	0.5
83.05033	1.1
85.02948	13.5
87.00883	3.7
93.03457	5.8
95.01373	0.6
95.05018	0.8
96.96026	1.0
97.02952	0.8
99.00878	0.5
105.03491	1.8
108.02175	1.8
108.59256	0.4
109.02958	4.3
111.00887	0.7
111.04550	1.9
123.00903	1.6
123.04462	0.6
124.01689	0.6
125.02448	43.7
126.02817	1.5
127.04017	3.1
129.01939	0.6
133.02989	1.3
134.03723	2.6
135.04501	0.4
137.02478	2.1
139.04018	1.9
147.04527	0.5
149.02444	0.6
149.06090	0.6
151.00389	1.0
151.04050	0.6
155.03560	0.6
160.01706	0.8
161.02440	18.8
162.02864	0.8
165.01930	0.8
166.99861	0.6
167.03488	1.7
169.01422	100.0
170.01767	4.1
171.03030	0.5
173.00937	0.6
173.04543	3.1
173.05952	0.8
175.03993	0.8
177.00482	0.7
177.01933	9.1
177.05551	0.9
179.03477	1.3
186.06808	0.5
187.04131	0.5
189.01949	3.5
191.05603	95.3
192.05901	2.6
193.01434	3.7
193.05087	1.0
201.01968	0.8
203.03502	0.6
216.00653	0.8
216.04230	0.5
217.01398	7.1
219.06564	1.0
227.03418	0.7
231.03015	1.3
243.02937	0.6
244.03606	1.2
257.04462	0.6
258.05194	0.7
259.06012	3.4
269.04544	1.5
285.04056	0.9
286.04745	1.1
287.05508	1.6
291.05124	0.6
295.06033	0.9
298.01282	0.5
299.05536	0.6
301.07138	15.6
302.07437	1.6
305.06631	3.0
306.07364	0.6
313.07089	1.3
319.04718	0.6
321.04080	1.1
339.04892	0.8
341.06573	4.9
342.06891	1.0
357.06021	3.2
358.06409	0.6
367.10556	1.3
445.08978	1.0
457.07349	1.5
463.10361	12.1
464.10461	2.0
481.11392	20.1
482.11761	2.7
499.12103	1.4
507.09204	2.5
633.12543	8.4
634.12213	1.5
651.13147	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.1
63.12902	0.4
67.01914	1.1
69.03475	0.8
71.01379	5.2
71.51839	0.6
71.52216	0.7
72.99316	0.9
73.02962	1.1
79.01913	1.3
82.45134	0.5
82.96618	0.5
83.01412	1.5
85.02960	3.0
89.02489	2.1
95.01425	2.3
97.02985	0.5
99.00911	0.9
100.35073	0.5
101.02425	5.0
107.01389	5.3
111.00907	1.7
113.02496	1.9
120.62563	0.5
123.00896	16.4
124.01720	0.5
125.02447	18.9
126.02863	0.8
127.00379	1.1
130.00824	0.4
136.98859	1.7
137.02530	0.5
139.00374	6.4
139.01410	0.5
140.01180	3.2
141.01962	1.9
149.39725	0.5
150.28535	0.5
151.00380	14.7
151.04057	0.7
153.01888	0.8
163.04012	0.6
164.58290	0.5
165.01900	0.8
167.03574	0.9
168.00653	4.1
169.01427	29.9
170.01791	1.4
181.05162	0.7
193.12306	1.7
195.13867	0.5
209.04652	0.5
211.02509	2.1
253.03406	0.6
265.35214	0.5
271.04602	2.7
313.05634	2.9
315.61969	0.6
322.85620	0.5
369.47491	0.5
389.10889	73.2
390.11243	6.9
433.13470	100.0
434.13800	11.1
447.11435	0.6
479.08466	0.6
595.21967	0.5
597.92480	0.5
623.19458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.4
59.01613	1.4
61.98822	12.8
65.00298	1.7
67.01865	2.7
69.03448	2.9
69.29025	14.8
71.01378	7.9
72.11752	1.7
73.02921	2.0
75.00859	1.8
79.01868	2.3
81.03471	1.7
83.01362	2.1
85.02946	3.4
87.00847	4.0
88.98791	2.4
89.02444	2.5
95.01373	3.1
96.95990	5.1
97.02934	1.8
101.02417	3.1
107.01384	19.6
107.92917	1.7
109.02936	1.8
111.00855	7.4
113.02386	3.8
116.92858	2.9
121.02896	2.5
123.00084	2.7
123.00890	23.0
123.04540	1.9
124.01625	4.6
125.02441	84.2
126.02741	5.3
127.00336	2.3
136.98793	3.2
137.02434	4.3
139.00377	8.8
139.03944	1.8
140.01198	9.8
140.84520	1.8
141.01900	1.9
151.00386	10.4
151.03961	2.7
153.01880	1.9
161.02408	2.0
163.03931	2.1
165.01865	2.6
167.03371	3.8
168.00655	11.2
169.01418	87.0
170.01727	5.4
171.10254	2.1
177.01927	3.3
289.94095	1.8
305.06689	1.7
357.26175	2.0
533.22015	1.8
632.30609	1.7
671.17828	2.8
671.32501	15.7
672.33374	3.7
823.33832	100.0
824.34314	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	823.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	6.8
60.47058	2.1
67.01881	2.5
69.03452	2.5
69.45569	1.5
71.01373	11.3
71.09591	3.2
72.99329	1.8
73.02940	3.1
75.00865	4.6
79.98220	1.6
83.05038	1.8
84.73933	1.7
85.02935	6.5
87.00869	2.5
89.02442	6.1
93.03485	11.6
95.01379	3.7
96.96008	11.9
101.02429	7.4
107.01389	12.4
111.00832	4.2
111.04529	14.5
113.02421	5.4
121.10210	1.6
123.00863	8.8
124.01658	2.3
125.02453	75.4
126.02753	3.2
127.04069	1.7
129.01930	1.9
136.98738	1.8
137.02388	8.3
139.00343	4.3
140.01169	3.2
147.04454	3.3
151.00337	5.9
152.01048	1.8
155.03500	18.7
167.10724	2.4
168.00661	8.7
169.01425	100.0
170.01694	4.8
173.04527	20.9
177.01886	3.0
177.03983	15.9
178.02667	2.3
191.05525	2.9
197.08253	1.8
211.02466	4.5
240.12653	1.5
271.04666	4.2
307.04608	2.7
316.02161	3.5
319.11838	2.6
325.05521	12.5
329.05087	7.1
345.15427	4.3
359.13385	2.0
439.10849	9.3
453.16940	1.6
463.08655	7.1
479.15445	3.1
493.17258	2.0
497.16763	10.3
498.17404	2.1
501.19614	7.9
649.17847	7.0
653.20850	2.4
671.21893	21.3
723.32068	1.8
823.22937	61.4
824.23175	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	821.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64545	1.1
59.01381	6.6
61.98830	28.7
69.86378	4.4
71.01381	6.2
73.02934	1.4
81.03465	1.1
83.01388	2.4
84.35774	1.0
85.02951	1.6
87.00879	1.8
89.02467	2.3
94.84406	1.1
97.06580	1.7
101.02436	4.3
113.02438	2.0
125.09740	4.8
161.04483	2.9
163.11253	2.5
167.10757	1.1
185.11787	4.8
191.14407	2.9
209.11816	8.4
225.11171	1.2
235.08154	2.9
245.19124	8.5
249.18546	1.7
253.09270	8.8
262.18939	1.1
267.02817	1.4
277.21701	100.0
278.21994	9.1
289.15076	2.0
289.18079	24.2
290.18567	2.4
293.21176	1.4
307.19183	15.6
308.19391	1.7
332.76425	1.2
387.06903	1.0
610.91833	1.2
735.80157	1.2
789.58618	1.3
844.87799	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	822.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.95903	1.1
71.51848	1.4
78.95907	1.9
84.82190	1.1
88.72442	1.1
99.92594	1.2
182.15231	1.0
184.31364	1.1
206.34395	1.3
323.88721	1.3
430.32901	1.2
456.06274	1.3
578.43457	1.2
655.00879	1.1
717.97632	1.5
755.28516	1.2
823.39520	1.7
830.74005	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	27.9
69.03451	1.5
69.29452	6.4
71.01377	2.9
73.02964	1.8
81.03447	1.7
83.05032	1.5
85.02959	5.1
96.62576	0.7
96.96081	0.6
99.04516	3.4
107.01398	3.1
107.05044	0.8
108.02153	2.4
109.06597	15.7
110.20849	0.8
111.04514	7.7
121.06625	1.1
123.00886	2.0
123.04514	2.5
123.08167	2.3
125.02450	17.5
125.09733	0.7
135.08156	23.3
135.09209	1.1
136.08485	0.9
137.08746	1.3
137.09731	14.6
138.06839	2.4
142.58670	0.6
149.09698	5.1
151.00407	2.2
152.01192	4.2
153.09201	6.6
153.21994	0.7
163.11301	9.9
164.11601	0.9
167.03499	8.0
167.10776	9.1
168.00726	0.9
169.01425	24.4
170.01761	1.9
171.18060	0.7
175.07635	1.1
177.01918	0.9
177.09219	29.0
178.09573	2.2
191.10793	7.2
193.12335	100.0
194.12685	5.9
211.13394	43.1
212.13681	2.7
217.12341	5.2
235.13380	24.4
236.13742	2.2
241.03636	0.7
253.14449	19.3
254.14693	1.6
255.12386	2.4
297.13400	8.9
313.05640	9.8
320.50711	0.8
329.05093	1.2
363.98993	0.8
428.02835	0.7
437.10806	1.0
481.10031	39.2
482.10352	5.5
524.63983	0.8
672.45551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
59.01377	7.6
61.98827	4.9
69.03450	0.7
69.87729	1.5
71.01378	6.4
73.02933	1.0
83.05021	0.9
85.02961	2.5
87.00871	1.5
89.02444	4.6
95.05053	0.9
97.06584	1.7
98.19894	0.6
101.02454	5.4
103.61830	0.5
111.08180	1.8
113.02412	2.7
113.09742	2.3
115.07652	1.2
117.00016	0.5
119.03506	0.9
121.10253	0.6
123.04429	0.6
125.02477	0.9
125.06231	0.5
137.09720	0.6
141.09235	1.3
143.03482	1.1
145.05060	1.2
161.04601	2.6
163.11382	0.8
165.12828	2.0
167.10803	0.9
167.14346	0.8
169.01590	0.5
171.10196	0.9
177.12839	0.9
179.05626	1.0
179.14462	1.3
181.12396	2.4
183.13925	0.7
190.90231	0.6
193.12447	1.3
193.15964	0.6
195.13901	10.6
196.14487	1.1
197.11806	2.0
205.12233	0.6
211.13400	3.8
221.15367	2.7
223.13345	6.6
228.13695	0.7
229.14328	0.8
231.17560	0.5
231.21059	0.9
235.08293	5.0
240.13737	0.6
245.19034	0.9
247.20639	3.7
248.20857	0.7
253.09286	21.9
254.09604	1.2
256.13025	0.7
263.20309	0.6
265.21863	0.7
273.18585	3.3
275.20172	6.6
276.20468	0.9
277.21570	0.7
281.21103	0.9
289.18124	2.0
290.18613	1.0
291.19659	33.0
292.20050	4.4
293.21222	100.0
294.21585	12.6
295.21896	1.1
307.19159	1.9
308.19614	1.8
309.20706	93.6
310.21075	8.9
311.22302	1.3
479.16840	0.6
527.28876	3.5
545.29657	14.0
546.30090	2.5
585.41467	1.2
752.43292	1.6
821.50720	5.4
822.51160	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	821.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
58.00589	0.6
59.01382	6.5
61.98836	3.5
69.03461	0.8
69.37922	1.5
69.38353	1.7
71.01388	4.8
72.99327	0.4
73.02959	1.3
83.01395	0.4
83.05052	0.4
84.02187	0.5
85.02962	1.2
87.00866	0.8
89.02438	3.8
89.02838	0.3
95.04985	0.6
97.02969	0.4
101.02448	4.5
101.50132	0.4
111.08155	7.2
113.02473	2.2
119.03500	0.8
127.07641	1.0
143.03549	0.5
151.11255	0.6
153.12842	0.9
154.44891	0.3
161.04619	2.5
167.10690	0.5
169.12315	3.1
171.10269	0.5
177.12881	0.6
179.05579	1.0
179.14476	0.7
181.12372	1.2
183.13962	0.6
193.12312	0.5
195.13895	8.6
196.14441	0.9
197.11832	35.8
198.12106	2.3
199.13423	2.4
205.12256	0.9
211.13394	6.8
223.13397	5.7
224.13765	0.6
227.12825	0.9
228.13591	0.4
231.21219	0.5
235.08174	2.7
253.09279	29.6
254.09615	1.6
256.13144	0.9
263.20209	3.0
265.17984	0.6
275.20129	5.7
276.20468	0.6
291.19669	13.9
292.19949	2.8
293.21228	100.0
294.18170	0.6
294.21548	11.0
309.20709	55.9
310.21051	6.6
311.21198	0.4
433.12830	0.4
492.21704	0.8
527.28662	0.6
529.30249	0.8
545.29572	1.1
585.41492	2.8
687.22412	0.4
714.80402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
59.01375	7.4
61.98830	6.5
71.01379	6.7
71.01720	0.6
71.42484	0.9
72.99319	0.6
73.02962	0.9
83.01414	0.6
85.02957	1.3
87.00909	1.8
89.02438	4.9
95.05035	0.7
96.95964	0.5
97.02945	0.9
97.06613	1.9
101.02446	6.0
111.08175	2.4
113.02471	3.0
113.09734	1.9
115.07635	0.9
119.03541	1.0
125.02439	1.2
139.11241	0.9
141.09230	1.4
143.03516	0.7
151.11284	0.7
161.04527	3.3
163.11391	0.6
165.12813	2.9
167.10753	1.1
167.14423	2.2
171.10277	1.5
175.11284	0.6
179.05632	1.0
179.14407	0.9
181.12350	2.9
183.13939	0.6
193.04028	0.5
193.12245	1.1
193.16060	0.9
195.13910	10.7
196.14420	1.2
197.11746	2.7
205.12300	0.7
209.11761	1.2
211.13434	3.7
213.14774	0.7
221.15408	3.0
223.13382	5.9
224.13838	0.7
229.14450	0.6
231.21156	0.5
235.08141	4.6
239.12947	1.1
241.14488	0.9
247.20589	3.9
253.09285	20.7
254.09570	1.7
256.13135	1.6
263.20190	1.3
265.21640	0.7
273.18579	3.1
275.20169	5.8
277.21606	1.0
281.21130	1.4
289.18045	1.7
290.18457	1.7
291.16217	0.7
291.19672	37.5
292.20026	6.0
293.21231	100.0
294.21552	12.9
295.21924	1.0
307.19067	1.9
308.19470	1.5
309.20712	99.9
310.21024	10.6
311.22156	1.0
327.21744	0.7
527.28571	2.9
529.29901	2.0
545.29675	16.7
546.29907	2.1
585.40936	0.9
752.43286	1.7
753.43707	0.9
772.49933	0.6
821.50323	7.5
822.50323	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.3
57.45113	0.2
58.00586	0.6
59.01102	0.5
59.01379	7.4
61.98828	5.3
69.03466	1.9
69.74173	0.3
71.01382	7.6
71.05021	0.8
71.53130	0.5
72.99292	0.5
73.02943	1.1
76.17061	0.3
80.02663	0.4
80.96525	0.3
81.03448	0.6
83.01383	1.1
83.05022	1.0
84.02164	0.5
85.02942	1.9
87.00871	0.9
89.02448	5.3
93.07110	0.4
93.38183	0.3
95.01388	0.5
95.05020	0.9
97.02946	6.5
97.06570	1.3
98.41077	0.3
99.00869	0.5
99.04436	0.3
101.02449	6.0
106.04244	0.3
106.36216	0.3
109.06594	0.9
111.08157	4.3
113.02442	3.4
113.09696	0.6
115.81594	0.3
119.02757	0.3
119.03493	1.7
119.08674	0.5
121.10235	0.6
123.04510	0.5
123.08088	0.7
125.02472	0.7
125.09740	1.7
135.08121	0.4
137.09744	2.0
141.09201	0.4
141.12904	0.5
143.03531	0.4
145.05048	0.5
151.11188	0.4
151.15512	0.3
153.12837	0.4
161.04579	3.3
163.11311	1.5
165.09129	0.7
165.12846	4.8
166.09940	0.3
167.10733	1.0
169.12325	1.9
171.10263	8.1
177.12823	0.4
179.05605	1.0
179.14406	1.7
181.12337	1.7
183.13890	1.1
184.14272	0.4
185.11841	1.0
193.12317	1.1
193.15947	1.0
195.13910	8.4
196.14320	1.1
197.11824	18.6
198.12161	1.6
199.13388	1.0
205.12379	0.7
207.88138	0.3
209.11783	2.3
211.13351	5.5
212.13680	0.5
217.15907	0.4
223.13368	6.9
224.13779	0.6
225.11490	0.3
225.14847	0.4
227.12910	2.8
228.13522	1.0
229.19475	0.4
231.21082	0.7
235.08195	3.8
239.12965	0.7
239.25015	0.3
247.20697	3.7
248.21101	0.3
253.09276	32.0
254.09679	1.8
256.13159	1.3
263.20151	1.2
265.18289	0.6
265.21704	0.8
273.18607	2.0
275.20148	8.5
276.20380	0.6
277.21603	0.8
289.18085	2.9
290.18460	0.6
291.19650	49.4
292.20010	6.5
293.21219	100.0
294.21542	10.0
295.22726	2.8
296.23291	0.4
304.55383	0.3
307.19174	0.7
309.20700	90.8
310.17471	0.6
310.21045	9.9
311.21533	0.4
327.21771	0.4
330.38809	0.3
338.12851	0.3
343.30957	0.3
389.00287	0.3
408.65265	0.3
437.01178	0.3
492.21506	0.4
519.38019	0.3
527.28638	1.2
529.30280	0.5
545.29468	2.3
585.41479	2.9
586.42059	0.6
692.15302	0.4
786.25372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.98829	100.0
62.98535	0.2
71.01395	0.3
78.91891	0.1
78.95924	0.2
80.96523	0.1
89.02471	0.2
96.96020	0.2
98.20638	0.3
101.02431	0.1
119.03513	0.2
125.02463	0.3
146.25858	0.1
150.61533	0.1
169.01328	0.2
171.10266	0.2
173.46452	0.1
178.99892	0.1
195.13896	0.4
197.11888	0.4
211.13396	1.6
223.13405	0.3
250.02362	0.1
253.09291	0.9
265.10498	0.2
275.20096	0.2
289.18253	0.1
291.19666	1.7
292.20135	0.2
293.21231	3.7
294.21591	0.1
303.98462	0.1
307.18997	0.2
309.20670	1.0
388.36603	0.1
820.00397	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	821.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.2
59.01376	7.2
61.98830	95.3
62.98540	1.0
63.99268	0.7
69.03460	2.0
71.01379	7.0
71.05032	1.2
71.55217	0.6
72.99269	0.5
73.02955	1.1
78.27886	0.5
78.95908	1.1
80.96505	1.1
83.01404	1.0
83.05019	1.5
85.02962	2.0
85.06607	0.6
87.00890	1.4
87.04504	0.7
89.02457	5.2
89.97684	0.5
91.18340	0.5
95.05025	0.6
96.96075	0.4
97.02948	5.3
97.06597	0.9
101.02440	6.7
109.06597	1.7
111.04528	0.6
111.08150	2.4
113.02455	4.0
118.36292	0.5
119.03496	1.8
119.10919	0.5
125.02464	1.3
125.09761	1.2
126.02695	0.5
137.09724	1.5
161.04579	3.4
163.11270	1.4
165.12862	2.7
167.10777	1.1
169.01411	0.7
169.12340	0.9
171.10275	7.0
177.12897	0.8
179.14438	2.4
181.12358	0.8
183.13918	1.5
193.12367	1.1
193.16035	0.5
195.13895	15.4
196.14304	1.4
197.11801	3.9
205.12344	1.1
209.11841	1.4
211.13403	3.6
212.13843	0.5
221.11819	0.6
221.15472	3.7
223.13374	9.2
224.13907	1.0
225.14842	0.5
227.12822	1.2
233.15509	0.6
235.08197	2.3
235.17119	0.8
239.12781	0.6
239.16344	0.9
247.20686	1.8
253.09274	34.9
254.09621	1.7
256.13138	1.6
263.20236	0.6
273.18570	1.4
275.20135	8.8
276.20486	0.6
291.19650	36.2
292.19992	3.6
293.21222	96.8
294.21542	10.3
309.20703	100.0
310.21060	9.5
355.60745	0.6
474.48474	0.6
480.38818	0.6
545.29425	2.7
585.41650	2.4
821.40784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.9
59.01381	10.7
60.45568	0.9
61.98836	11.1
68.28393	0.8
70.09177	3.2
71.01376	10.8
71.05022	1.9
71.51588	0.9
73.02924	1.9
75.57209	0.9
79.84648	1.0
80.02663	0.9
81.03458	1.4
83.01375	1.5
83.05045	5.5
84.02136	0.9
85.02948	3.8
87.00854	1.1
89.02439	6.3
95.04997	2.1
97.06573	1.5
99.04511	2.3
101.02470	8.5
109.06615	1.6
111.08180	2.0
112.05318	1.6
113.02459	4.3
115.07635	1.4
119.03477	2.8
125.02386	1.2
125.09718	4.8
127.07633	2.7
135.08173	3.0
137.09680	1.5
153.09200	23.1
161.04506	3.4
163.11330	4.6
165.12808	1.9
171.10274	32.5
172.10503	1.1
178.09991	2.8
179.05620	1.9
185.11842	6.5
191.10703	2.6
195.13881	4.0
197.11819	9.2
209.11810	57.8
210.12059	2.8
211.13380	1.5
235.08206	4.3
236.10530	2.0
238.11981	2.1
239.16272	1.1
245.19106	2.5
245.51210	1.0
253.09265	19.4
254.09674	1.3
256.13156	1.3
263.20093	2.7
271.31851	1.0
275.20139	2.3
277.21704	100.0
278.22040	10.9
279.19595	1.2
281.21051	1.2
289.18048	17.3
290.18411	1.8
291.16614	1.6
291.19678	21.6
292.19925	2.4
293.21243	21.9
294.21487	2.5
297.20905	1.2
307.19128	87.9
308.19531	9.2
309.20587	3.1
325.20190	37.7
325.24069	1.5
326.20511	3.5
474.21149	1.6
525.27167	7.4
543.28070	26.8
544.28180	4.8
549.13513	1.1
561.29016	4.9
562.29077	1.1
613.03638	1.0
732.39575	1.1
734.42664	3.7
803.49445	15.7
804.49725	3.8
821.51013	7.0
822.50928	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.1
59.01374	6.8
61.98833	40.5
69.03445	1.3
71.01382	9.1
73.02943	1.3
78.95893	1.4
80.96516	2.2
83.01382	0.6
83.05038	1.7
85.02947	3.1
87.00877	1.8
89.02444	4.3
92.70515	0.5
95.01382	1.1
95.05038	1.5
96.96018	4.0
97.02975	0.9
97.06594	6.2
101.02454	5.5
106.04255	0.5
106.82328	0.6
107.05086	0.6
109.02861	0.5
109.06612	1.1
110.18511	0.5
111.00809	0.5
111.04488	0.6
111.08152	2.9
113.02445	4.2
113.09717	1.0
119.03474	1.6
123.04551	1.3
125.02461	1.1
125.09715	0.9
126.29871	0.6
127.07674	0.7
135.08154	0.6
137.09634	0.9
145.05087	0.9
147.11743	0.5
149.09694	1.0
151.11279	5.5
152.91118	0.5
153.09180	1.2
153.12866	0.9
155.10788	2.0
161.04535	2.4
163.11296	1.8
165.12837	7.4
167.10751	1.2
169.12302	1.7
171.10283	1.3
177.09039	0.7
177.12920	1.1
177.55946	0.5
179.05643	0.9
179.10753	2.3
179.14406	0.8
181.12343	6.4
183.13922	1.5
191.10780	2.5
191.14401	1.3
195.10204	0.6
195.13884	10.7
196.14276	0.9
197.11754	1.3
205.12323	2.4
207.13933	0.6
209.09874	1.3
209.11827	19.7
210.12170	0.9
211.13423	3.3
223.13457	5.7
227.12851	5.8
228.13628	1.1
235.08237	4.1
245.19127	6.6
253.09288	18.2
254.09740	1.2
256.13147	1.6
263.20123	10.9
264.20490	1.1
265.21884	0.7
271.17014	1.0
275.20142	7.2
277.21823	0.8
279.19577	1.4
289.18109	16.6
289.21411	0.9
290.18399	1.3
291.19641	5.2
292.20105	0.6
293.21225	100.0
294.21585	9.3
307.19138	46.0
308.19449	4.9
309.20825	2.6
445.20685	8.5
446.20749	0.9
525.26794	2.8
527.28485	0.7
543.28058	7.8
544.28394	0.7
583.39929	0.6
721.41614	2.9
736.41016	0.9
739.72064	0.5
819.49109	2.5
820.49475	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.8
61.98828	100.0
62.98529	0.2
69.20332	1.3
71.01386	0.3
73.02943	0.2
74.73921	0.1
78.91864	0.2
78.95896	0.1
80.96512	0.3
81.84254	0.1
89.02438	0.2
96.96027	0.2
98.20707	0.3
101.02481	0.2
109.80392	0.1
113.02410	0.3
125.02454	0.4
125.09737	0.2
141.01726	0.2
145.93733	0.1
167.14580	0.1
167.85048	0.1
169.01407	0.3
171.10257	0.4
195.13907	0.5
197.11896	0.4
211.13365	2.8
217.10291	0.1
223.13448	0.3
235.08304	0.2
247.36115	0.1
253.09305	1.1
265.10724	0.2
275.20163	0.5
277.21848	0.2
289.18161	0.3
291.19653	2.3
292.19955	0.2
293.21204	5.9
309.20667	1.0
447.22662	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	819.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
59.01377	2.3
60.13942	0.3
61.98835	100.0
63.68719	0.4
70.38635	0.3
70.38997	1.2
71.01386	2.2
76.49936	0.4
78.66530	0.3
78.95913	0.5
81.03475	0.4
82.95430	0.8
85.02975	0.4
89.02458	1.4
95.05059	0.4
97.02972	0.3
97.06600	0.4
101.02482	1.4
109.06604	1.1
111.04534	0.4
113.02449	0.7
119.03564	0.4
123.04549	0.5
125.02478	0.9
125.09734	0.4
148.78696	0.3
161.04608	0.9
163.11346	0.7
165.11514	0.3
165.12878	1.0
169.01439	0.4
171.10265	0.6
179.05466	0.4
185.11887	0.8
191.14468	1.3
195.13895	3.4
205.12379	0.4
209.11946	0.6
211.13454	0.6
223.13373	2.3
225.11369	0.6
235.08327	1.3
245.19116	2.8
247.20720	0.5
249.22037	0.4
253.09314	7.4
253.11862	0.6
254.09711	0.6
256.13309	0.5
271.17203	0.5
273.18668	0.4
275.20126	2.4
277.21777	0.4
289.18106	31.6
290.18448	2.9
291.19669	7.9
292.20187	0.9
293.21243	38.9
294.21521	3.3
307.19162	6.3
308.19629	0.4
309.20660	2.9
374.15128	0.4
469.16132	0.3
525.27173	0.6
642.79443	0.3
710.40479	0.4
769.35425	0.3
819.52954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.6
57.20641	0.7
57.86600	0.8
59.01378	9.8
61.98830	64.8
63.47228	0.7
69.03433	1.3
71.01385	9.4
73.02918	1.9
74.25807	0.6
78.95905	1.6
78.98654	0.7
79.95721	0.7
80.02695	0.9
80.96513	3.6
81.03478	0.8
83.01382	1.2
83.05027	1.8
85.02946	2.7
87.00867	1.7
89.02444	4.1
94.98083	1.1
95.05037	1.5
96.96022	7.7
97.02957	0.7
97.06588	5.9
101.02431	5.9
109.02969	0.9
109.06548	1.3
111.08172	2.6
113.02463	4.3
119.03524	1.1
119.04980	0.6
123.04485	1.1
123.08173	0.9
125.02425	1.1
125.09740	1.5
135.70494	0.7
137.06113	0.8
137.09731	0.8
143.03459	0.7
149.09679	1.3
151.11299	5.8
153.60466	0.7
155.10764	1.4
161.04543	2.6
161.09714	0.8
163.11307	2.0
164.98587	0.8
165.12854	7.6
167.10773	1.5
169.12309	1.6
171.10194	1.2
177.12833	1.9
179.05598	1.1
179.10742	3.2
179.14403	1.0
181.12332	6.0
183.13876	2.3
191.10786	3.9
191.14447	2.1
195.10181	0.8
195.13893	10.3
196.14581	0.7
197.11761	0.8
205.12326	2.1
208.44623	0.8
209.11842	20.6
211.13408	3.0
216.88087	0.7
223.13396	6.0
227.12915	6.5
228.13470	0.9
235.08180	4.0
245.19089	7.4
246.19525	0.7
253.09305	16.8
256.13138	1.4
263.20151	11.8
264.20459	1.2
265.21643	1.3
271.16885	1.0
275.20187	6.5
277.21674	1.4
279.19702	2.1
287.16684	1.0
289.18079	16.2
290.18402	1.0
291.19678	6.9
293.21222	100.0
294.21552	10.0
307.19156	47.5
308.19550	4.1
309.20731	3.5
445.20801	8.2
446.21161	1.1
460.19162	0.9
473.55765	0.9
489.41190	0.7
543.28015	10.3
544.28430	0.8
681.34998	1.0
717.95044	0.8
721.41956	1.5
722.42078	0.8
819.49072	2.6
820.50256	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.2
59.01366	0.6
61.98832	100.0
62.99248	0.2
71.01411	0.7
73.46213	0.1
78.67547	0.1
80.96542	0.2
81.03459	0.1
83.01416	0.2
85.02928	0.2
87.00892	0.2
89.02445	0.4
97.02960	0.1
97.06607	0.3
101.01549	0.1
101.02451	0.5
111.08167	0.2
113.02488	0.2
125.09695	0.3
131.81503	0.1
137.09761	0.2
156.59929	0.1
158.40771	0.1
161.04555	0.2
163.11290	0.3
174.78325	0.1
185.11876	0.3
191.14450	0.5
195.13931	1.1
204.74925	0.1
205.12448	0.1
207.10329	0.3
209.11862	1.0
211.13567	0.2
223.13406	0.7
225.11444	0.1
228.13693	0.1
235.08322	0.3
237.11371	0.3
245.19049	1.0
253.09286	2.2
256.13077	0.2
263.20175	0.2
275.20190	0.7
277.21722	0.2
289.18088	4.5
290.18594	0.4
291.19736	2.0
292.20203	0.7
293.21240	9.8
307.19141	4.4
308.19547	0.2
309.20758	0.5
472.12543	0.1
526.39868	0.2
818.48102	0.3
819.52539	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.3
61.44425	0.8
67.01868	1.0
69.61768	4.9
69.87470	0.8
71.01375	0.8
81.03497	0.9
85.02940	1.2
87.00858	1.6
93.03458	9.0
96.96008	2.8
99.04535	0.8
107.01387	6.1
111.00874	0.9
111.04522	8.6
116.15488	0.8
123.00945	1.1
124.01676	1.0
125.02444	45.1
126.02774	1.3
137.02440	7.1
155.03506	9.7
169.01421	99.1
170.01764	4.1
173.04539	22.0
174.04877	1.7
191.05608	17.8
191.07310	0.6
193.01492	0.9
245.04666	1.5
315.58774	0.8
323.08182	2.2
325.05658	10.8
343.06668	12.5
363.24908	0.8
376.42868	0.9
495.07773	100.0
496.08151	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	819.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
59.01384	9.0
61.98822	2.8
69.03452	1.1
70.90206	1.0
71.01381	9.2
71.05009	1.4
71.57504	0.8
73.02953	1.5
83.01382	1.4
83.05022	1.8
83.64561	1.0
85.02964	4.7
87.00876	1.6
89.02428	5.1
92.16878	1.0
95.05008	3.1
97.06561	1.3
101.02441	6.6
105.82021	1.0
106.04241	3.0
107.05038	3.7
109.02938	1.0
109.06571	4.4
113.02434	3.2
116.92863	1.1
117.79734	1.1
119.03497	2.3
125.02404	0.9
135.08156	1.1
136.05295	1.2
151.07620	2.8
161.04526	3.2
171.10219	1.6
177.12889	6.8
181.12083	1.0
191.14417	2.9
195.13882	20.8
203.10794	5.6
203.14392	2.3
207.13896	2.0
209.15460	2.1
221.11826	5.2
221.15401	4.5
229.12297	4.4
235.08238	2.6
235.13377	12.0
237.14964	10.3
243.17458	4.2
247.13367	24.9
248.13707	1.4
249.14807	1.6
253.09277	13.4
253.14429	1.9
261.18585	13.1
262.19040	1.3
265.14417	13.4
270.36652	1.1
273.95123	1.0
277.21716	100.0
278.22031	9.0
279.19620	4.6
287.16528	10.8
291.19687	1.3
293.21191	1.4
305.17551	47.7
306.17938	5.0
323.18564	2.3
418.67923	0.9
457.20813	2.4
471.22318	6.3
483.22208	4.3
501.23523	3.0
523.26343	1.3
541.26349	4.2
743.43701	1.2
761.44965	4.0
762.45294	2.6
801.48279	2.9
819.48639	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	817.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.4
59.01377	11.1
61.98830	6.6
65.00298	1.5
67.34212	1.2
70.65385	1.2
71.01401	7.5
73.02934	1.7
75.00864	2.1
77.48508	1.2
83.01402	1.7
85.02943	3.5
89.02440	4.2
96.96027	6.9
98.20650	3.6
101.02431	3.5
109.02969	13.1
113.02451	4.5
115.92099	1.4
116.92854	3.7
117.03478	1.5
123.00868	2.7
125.02454	12.5
131.03662	1.3
136.07732	1.2
137.01454	2.4
137.02452	36.2
145.02946	6.0
149.02399	1.7
150.06798	2.9
161.02385	2.6
163.00343	5.1
163.03963	2.1
164.01105	4.6
165.01936	6.3
167.03476	2.4
169.01427	11.5
177.01907	9.0
179.10776	2.1
183.13876	4.7
189.01936	47.9
190.02461	4.2
190.99786	2.6
193.01419	1.3
203.03532	1.6
207.02962	2.4
217.01405	3.6
240.62430	1.4
253.09654	1.4
257.12933	2.0
265.04990	1.2
293.09433	1.5
295.02313	1.3
295.10931	1.3
297.03912	1.9
301.16550	3.3
309.04291	1.8
321.08737	3.1
327.05148	4.8
329.02859	1.6
341.02954	1.9
342.03418	2.3
343.04730	6.0
344.05249	9.2
355.04575	59.9
356.05060	7.8
363.79395	1.3
378.54575	1.3
449.06808	1.6
463.00854	1.5
505.20737	3.0
591.67383	1.5
655.23260	5.7
655.40424	3.2
656.24030	1.7
670.22626	19.0
671.23358	11.5
672.23578	2.1
817.29114	100.0
818.29327	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	818.454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01714	0.1
61.98829	100.0
62.98540	0.2
78.95927	0.2
98.20659	0.2
98.99586	0.1
101.02520	0.1
109.06550	0.1
121.02965	0.4
125.02428	0.3
165.01961	0.3
185.11841	0.2
211.13358	0.2
223.33368	0.1
235.72714	0.1
253.09401	0.2
289.18237	0.4
290.18497	0.2
291.19733	0.4
292.20050	0.2
293.21350	0.5
307.19214	0.2
309.20740	0.2
336.43625	0.1
483.21960	0.1
676.07068	0.1
710.24396	0.1
765.74292	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41025	3.4
59.01384	8.2
60.99315	6.4
61.98827	22.3
64.41557	3.0
71.01380	9.3
71.52214	2.9
75.13401	3.0
78.95905	44.8
79.95753	6.3
80.96515	32.1
83.05004	6.6
88.98820	30.8
89.02430	6.4
94.98091	7.3
96.96969	7.2
101.02423	4.0
105.88042	3.2
109.66627	3.0
122.97562	3.5
127.11382	3.4
129.32237	3.0
152.99557	12.8
163.11227	3.8
164.98650	3.9
171.10303	19.1
177.04311	3.1
209.11830	100.0
210.12186	5.3
225.00626	5.5
227.12859	9.0
241.01122	15.7
253.09192	8.5
255.23286	26.2
277.18860	5.5
277.21744	93.3
278.22070	10.0
307.47437	3.7
391.22635	3.4
455.68771	3.1
549.11163	3.8
725.38818	17.0
726.40533	3.8
797.40869	20.3
798.41260	7.0
815.50244	22.9
816.48981	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	815.499
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	8.1
78.95916	3.8
78.98592	8.7
79.95734	17.9
80.96521	100.0
80.96995	3.4
85.02948	4.9
94.98075	26.0
101.02432	4.1
101.49992	4.1
104.18356	4.6
106.98043	5.1
125.02454	5.4
134.97560	7.4
148.99112	5.6
164.98599	11.1
222.83427	4.0
225.00720	15.9
346.99060	3.9
449.05191	4.8
466.51123	4.7
488.07330	4.3
815.49750	78.0
816.50543	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.499
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	9.1
65.94724	3.2
69.33693	15.4
69.34100	7.4
71.01375	13.0
77.46721	2.6
77.60052	2.9
78.98589	7.0
79.95730	16.4
80.96521	100.0
85.02925	5.0
94.98087	25.0
101.02409	4.6
102.27893	3.2
106.98090	4.6
116.43321	3.1
119.89779	2.9
122.97554	5.4
125.02422	3.8
128.17830	3.2
134.97633	6.5
136.99088	3.9
141.36134	2.8
148.99139	6.9
152.98615	7.9
158.52100	3.4
164.98608	17.9
177.67445	2.7
214.79683	3.1
225.00754	23.4
499.95648	3.6
542.52020	3.1
689.21167	3.8
815.49805	75.2
816.49933	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	815.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.5
59.01384	0.2
67.01913	0.3
68.85357	0.2
69.03446	1.6
69.59692	1.5
70.03783	0.2
76.28645	0.2
79.01902	0.3
81.03463	0.6
83.01390	0.6
87.00909	0.2
92.59349	0.2
93.03439	0.4
95.01392	0.5
95.05034	0.3
97.02963	1.1
98.20609	0.4
105.03484	0.5
107.01409	0.4
109.02988	0.7
111.04542	0.4
115.10267	0.2
121.02947	0.5
123.00892	0.6
123.39223	0.2
124.01639	0.4
125.02445	53.0
126.02776	1.6
137.02443	1.5
139.04015	0.6
139.11287	0.9
149.02467	0.3
153.27408	0.2
155.03488	0.2
161.02446	2.9
162.02907	0.2
164.01086	0.4
165.01947	0.8
165.09200	0.3
167.03603	1.0
169.01421	100.0
170.01755	3.5
177.01965	1.1
177.05510	0.5
179.03511	0.5
183.10251	4.8
184.10579	0.3
193.01428	1.6
194.01703	0.3
201.01987	0.3
201.05658	0.2
212.13522	0.3
218.01556	0.2
219.06560	0.6
221.04573	0.2
239.04550	0.3
269.04501	0.9
269.07181	0.2
287.05573	1.4
305.06650	4.4
305.10123	0.3
306.07147	0.3
319.04520	0.3
322.01941	0.3
331.04681	1.4
332.04892	0.2
357.11667	0.4
357.15527	2.7
457.07742	9.7
458.08011	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
59.01378	1.2
59.94200	0.3
60.99297	0.2
61.98830	0.4
65.00335	0.3
67.01907	0.3
68.99815	0.3
69.03450	1.7
71.01391	0.8
71.55077	0.2
71.55505	0.3
73.02982	0.4
75.00870	0.5
79.01896	0.3
81.03462	1.0
83.01400	0.5
85.02962	0.5
88.98826	0.6
95.01394	0.8
95.05003	0.8
96.96008	0.8
97.02934	1.5
105.03464	0.9
107.01389	0.6
107.05089	0.2
109.02957	2.5
111.04538	0.5
113.02491	0.5
116.92859	0.4
119.04962	0.4
121.02971	0.4
123.00887	1.5
124.01645	1.3
125.02448	49.5
126.02788	1.8
133.02930	1.4
135.00810	0.3
137.02443	1.0
138.03232	0.8
139.04025	1.8
145.02963	0.3
147.04361	0.3
149.02457	0.9
150.03154	0.3
150.11386	0.2
151.00330	0.5
151.04010	0.4
153.05542	0.4
161.02448	8.6
162.02863	0.6
164.04846	0.3
165.01924	0.8
165.05530	0.3
166.99854	0.9
167.03487	2.0
169.01425	100.0
170.01752	3.7
175.03944	0.3
176.01228	0.3
177.01929	7.6
177.05397	0.3
178.02345	0.3
179.03493	0.3
189.01938	4.1
190.02455	0.5
191.03532	0.5
193.01408	2.2
195.06619	0.3
203.03406	0.4
205.04990	0.4
213.05688	0.3
215.03421	0.3
216.00595	0.7
217.01411	5.2
218.01819	0.6
219.02994	0.5
231.02998	1.1
233.04500	0.4
257.04584	0.5
259.02444	0.5
269.04553	0.5
273.03973	0.4
274.04837	0.4
285.04028	0.8
287.05640	0.4
289.07138	1.9
295.05957	0.3
297.03973	0.3
298.05023	0.3
301.03485	0.4
305.06677	0.6
314.04199	0.4
316.05838	0.4
319.04581	1.1
321.02438	10.1
322.02939	0.8
331.08200	8.8
332.08398	1.2
339.05136	0.4
343.08301	0.6
357.06122	2.2
371.07721	3.7
372.08075	0.4
375.27255	0.3
385.09003	0.3
475.10062	0.3
493.11404	6.8
494.11649	1.0
511.12451	6.2
512.12830	1.0
537.10394	1.7
645.11896	0.3
663.13611	4.5
664.13220	1.1
725.24054	0.4
815.27020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
68.33580	0.2
71.01373	0.5
71.46745	0.3
71.47089	0.4
78.95914	0.3
78.99086	0.3
80.96509	0.4
89.02412	0.3
99.57002	0.3
101.02426	0.3
103.16511	0.3
124.22070	0.2
125.02425	1.3
167.03450	0.3
169.01453	0.8
177.02048	0.4
189.92715	0.3
210.37698	0.2
211.13438	0.4
257.85422	0.3
481.17654	0.3
542.59412	0.3
756.38269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.98830	100.0
66.34975	0.3
71.01401	0.4
71.53535	0.2
72.63792	0.2
78.95921	0.4
80.96518	1.3
94.98092	0.3
96.86762	0.2
109.26838	0.2
116.92862	0.3
125.02422	1.1
135.52550	0.2
155.05136	0.2
167.03511	0.3
169.01492	0.5
169.02861	0.2
197.11852	0.4
199.04095	0.3
199.23372	0.2
199.25403	0.2
229.59647	0.2
277.21710	0.3
316.53262	0.2
403.61484	0.2
559.19147	0.3
815.50366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98536	0.2
63.09439	0.1
67.05883	0.1
78.95908	0.1
104.01080	0.1
125.02473	0.2
129.13164	0.1
133.43974	0.1
152.99512	0.1
171.10248	0.1
214.88133	0.1
255.23199	0.1
605.68683	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	814.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.8
60.75496	2.2
61.85683	2.0
61.98824	3.1
69.32888	15.1
71.01369	4.6
75.00879	3.1
83.01373	2.7
85.02927	3.1
89.02463	3.9
95.01369	3.4
96.83875	2.4
97.02949	4.5
99.73962	2.3
101.02426	2.9
105.03481	2.6
107.01360	5.3
109.02936	2.5
113.02438	3.6
115.00314	2.1
119.26417	2.2
121.02872	2.6
123.00877	10.0
123.26102	2.5
124.01649	9.1
125.02449	67.5
126.02754	8.2
133.02997	2.7
137.02443	3.7
138.03241	2.7
150.03302	2.4
151.00345	4.9
161.02441	11.3
165.01814	2.6
166.99831	5.0
169.01421	100.0
170.01765	17.8
171.01913	5.3
177.01855	4.2
301.03552	2.6
449.07263	24.8
450.07242	3.5
479.22800	3.0
480.22977	7.2
481.23425	8.0
537.36951	2.4
542.88098	2.4
634.85291	2.4
643.26599	7.8
644.27374	3.5
662.26764	2.5
663.13287	2.7
737.89771	2.7
751.11371	9.6
752.11359	4.2
813.41052	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	809.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	84.6
62.80831	37.7
70.81974	100.0
78.95880	43.8
101.54030	34.3
122.23333	32.2
147.31659	36.0
150.55608	31.2
151.36296	32.9
196.89352	56.7
277.21786	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	811.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85690	1.5
57.03445	2.0
59.01379	11.4
61.98829	9.4
69.03448	3.2
71.01395	5.6
72.99295	1.5
85.02958	1.9
85.61173	1.4
87.00867	2.0
89.02449	4.5
95.01397	1.7
97.02111	1.5
97.02934	1.9
98.19915	4.7
101.02443	5.9
105.96068	1.3
111.08143	8.4
113.02493	2.0
119.03508	1.5
125.02446	22.4
125.09678	1.5
126.90430	1.7
149.02419	1.5
159.89348	1.4
161.04572	1.7
163.11334	1.7
165.12910	2.5
167.03531	2.6
167.10780	2.7
169.01430	14.9
169.12331	3.0
177.01927	3.2
179.14386	3.8
181.12361	1.9
195.13879	9.2
197.11829	31.3
198.12039	1.8
199.13426	2.7
205.12352	9.2
211.13345	2.5
223.13380	100.0
224.13710	6.1
224.82367	1.6
235.08156	5.3
253.09227	13.5
274.22159	1.5
291.19617	17.8
305.06641	1.6
309.20718	57.7
310.21115	6.8
459.22409	12.8
515.34296	1.9
545.29596	2.1
751.42035	3.2
818.27985	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.5
61.98827	3.5
65.95085	0.5
69.27623	1.7
69.28046	2.9
71.01373	1.3
72.99329	0.8
79.88015	0.4
83.01405	0.5
84.02164	0.5
85.02977	0.8
89.02451	0.8
93.03468	5.3
95.01389	0.5
95.05016	1.2
96.96022	1.4
99.00862	0.6
101.02434	0.5
105.03496	0.8
108.02193	0.6
109.02975	2.8
111.00923	0.6
113.02477	0.9
121.02971	7.3
122.03748	17.6
123.00894	2.6
123.04559	1.0
124.01680	1.2
125.02449	7.1
133.02951	1.8
134.03777	1.0
135.04524	0.7
135.08055	0.6
136.01669	6.4
136.05304	0.6
137.02448	4.2
138.03270	0.7
139.00385	0.7
139.03987	1.2
140.01147	0.6
146.03761	1.2
147.04468	0.5
149.02444	23.5
149.06071	1.0
150.03233	100.0
151.00389	2.3
151.04005	9.6
153.01947	0.7
161.02458	1.6
162.03183	0.7
163.03934	0.6
164.04826	4.4
165.01978	3.2
165.05576	96.3
166.02750	5.9
166.05898	4.2
167.03459	1.2
168.00620	0.6
169.01440	5.4
175.03978	1.2
177.01961	1.6
177.05565	1.2
179.03554	1.0
179.07162	5.0
180.04294	7.7
181.05081	6.8
182.05455	0.7
187.04044	0.7
191.07137	0.5
193.05135	0.7
195.06628	75.9
196.07018	4.4
205.05099	1.2
219.06587	1.2
220.07417	0.6
225.07683	1.9
346.15851	0.5
357.09720	0.5
373.12848	0.9
387.14651	5.4
403.13831	0.6
406.31815	0.5
417.15521	7.8
418.15851	0.7
535.20044	0.6
565.20728	11.7
566.20892	2.0
595.21631	1.5
613.22717	2.8
614.22833	0.8
647.34485	0.9
713.25873	1.0
743.26257	1.0
761.28009	1.2
809.42932	4.3
810.40924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03402	0.4
57.07546	0.4
59.01377	1.1
61.98826	2.9
73.02948	3.4
77.90300	0.4
82.89664	0.4
90.85248	0.4
96.96018	0.5
99.00898	0.7
99.91965	0.8
99.92588	10.3
100.92593	0.9
108.21904	0.4
108.51505	0.4
111.14908	0.4
116.82591	0.4
116.92862	100.0
116.97240	2.0
117.01940	6.7
117.92873	5.8
122.07610	0.4
125.02444	2.0
136.94463	0.4
169.01414	1.8
177.02002	0.4
197.30411	0.4
229.55939	0.5
261.16656	0.5
311.17456	0.4
351.17145	0.5
367.23434	0.4
823.80823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.4
59.79424	0.5
61.98832	2.0
62.31091	0.4
66.20004	0.5
69.25614	4.5
71.01395	1.7
79.04314	0.6
85.02961	0.9
93.03443	4.3
94.31908	0.6
96.96031	0.9
98.14970	0.6
101.02463	0.6
104.11131	0.5
107.01404	0.5
107.73482	0.5
108.02139	0.7
109.02950	1.0
113.02444	0.8
121.02955	6.2
122.03747	15.1
123.00898	1.1
124.01684	1.8
125.02457	4.9
133.02982	2.2
134.03783	1.0
135.04541	0.7
136.01695	4.5
136.83214	0.5
137.02483	3.5
139.04016	1.0
140.01195	0.7
145.02914	0.7
146.03685	0.9
149.02446	21.1
149.06093	1.3
150.03229	100.0
150.67894	0.5
151.00386	2.1
151.03986	8.2
153.01990	0.6
161.02457	1.4
162.03127	0.6
164.04793	3.8
165.01884	2.4
165.05571	96.4
166.02702	5.4
166.05908	4.9
167.03487	2.0
169.01450	4.7
175.03986	0.6
177.01927	1.0
179.03596	0.8
179.07109	5.4
180.04297	7.8
181.05060	6.2
187.04141	0.7
195.06622	67.9
196.06883	3.3
205.05037	1.1
207.06584	0.6
219.06596	1.0
220.07292	0.6
225.07703	1.5
226.92566	0.8
308.37607	0.7
357.09793	0.6
387.14725	4.6
417.10767	0.8
417.15631	7.6
418.16165	0.9
494.36771	0.6
498.09811	0.6
565.20746	10.5
566.20898	2.2
595.21564	1.3
613.22839	2.5
614.23169	0.6
667.23010	0.8
713.25830	1.0
743.26605	0.9
761.28400	1.3
809.42352	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	807.43
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	17.8
61.98838	100.0
77.45248	18.6
84.52223	17.4
88.39170	15.1
125.02439	94.0
129.29343	16.8
132.21637	16.4
137.02388	21.2
167.03473	28.6
169.01447	49.4
177.01889	23.1
192.85548	17.7
209.11809	49.3
211.13509	22.2
217.61002	15.2
220.24655	16.2
283.97452	17.8
291.19635	20.0
293.21228	62.5
711.36676	18.4
807.42975	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	809.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	28.5
59.01378	30.6
66.91628	1.0
69.03455	1.8
71.01384	3.4
71.51943	1.4
73.02938	2.0
81.03458	1.4
83.05029	1.3
85.02948	12.8
95.01399	1.1
95.05039	1.5
96.96014	2.9
97.02979	1.3
99.04508	4.1
102.71133	1.0
107.01413	2.4
109.06591	12.9
111.00888	2.7
111.04519	8.5
123.00915	1.8
123.04517	10.8
123.08144	2.8
125.02448	27.8
129.01915	3.9
133.68768	1.1
135.07187	1.9
135.08165	21.9
135.09174	0.9
137.08723	1.9
137.09714	16.4
138.06897	1.8
138.10004	1.5
149.09723	6.1
151.00371	2.8
153.05576	14.4
153.09212	8.8
161.97600	1.0
163.11278	10.9
167.03494	2.5
167.10788	8.5
169.01431	31.7
177.01909	3.1
177.09198	28.1
178.09505	2.1
179.10864	1.7
185.43913	1.1
191.10815	8.3
193.12331	100.0
194.12694	7.6
205.03496	3.7
211.13383	42.3
212.05594	1.3
212.13696	2.4
217.12338	3.8
223.04541	6.1
235.13380	25.8
236.13779	1.8
253.14409	19.0
255.12361	4.2
297.13419	10.6
302.69016	1.1
313.05783	8.4
341.08603	3.2
342.50540	1.3
351.11539	1.2
352.95300	1.2
457.07855	2.6
467.11896	39.8
468.12143	4.8
594.77673	1.2
687.27905	1.2
709.33594	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.5
59.01378	2.8
61.98825	5.1
64.17505	0.4
66.49017	0.4
69.03439	0.5
70.68852	0.7
70.69222	0.8
71.01383	2.7
71.04968	0.3
72.60707	0.3
73.02963	0.6
80.91693	0.8
85.02940	0.7
89.02435	2.7
101.02437	2.6
111.08147	0.8
113.02416	1.3
119.03535	0.7
124.38202	0.4
141.09128	0.4
145.50319	0.3
161.04570	1.6
167.10762	0.7
171.10263	1.2
177.12921	0.5
179.05573	0.4
179.14389	0.8
183.13928	0.6
195.13896	7.7
196.14485	0.5
211.95747	0.3
223.13382	5.0
224.13757	0.8
228.13710	0.5
231.21040	0.7
235.08220	1.1
249.11018	2.6
253.06628	0.8
253.09277	16.6
254.09663	1.3
256.13116	1.2
267.12119	0.4
275.20132	5.6
276.20618	1.0
277.21613	2.4
291.19614	5.0
292.19965	4.2
293.21219	100.0
294.21533	12.1
295.21805	1.1
309.20639	0.8
317.27545	0.4
378.02887	0.5
492.21948	0.4
529.29950	1.0
569.42340	1.5
723.43463	0.7
805.51855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.1
58.00605	0.5
59.01380	6.3
60.15495	0.4
60.65093	0.4
61.98801	1.2
66.28503	0.4
66.39504	0.3
68.07515	0.4
69.03441	0.9
69.93223	2.0
71.01383	5.3
72.99274	0.5
73.02918	0.6
80.02680	0.6
81.03437	0.5
83.01365	0.8
83.05005	0.6
83.14047	0.3
85.02940	1.7
85.57417	0.4
87.00858	0.5
87.12309	0.3
89.02442	3.9
95.01349	0.5
95.05034	0.5
97.02363	0.5
97.02930	2.9
97.06591	0.7
98.19990	0.8
101.02430	3.4
107.20240	0.4
108.43184	0.4
109.06591	0.5
111.08109	0.8
113.02444	2.4
119.03493	0.9
123.04453	0.7
123.08100	0.5
125.09692	1.4
137.09673	1.3
143.03569	0.6
161.04509	2.0
163.11270	3.2
165.12840	6.0
166.09914	0.5
166.12996	0.5
171.10292	3.7
177.12889	0.6
179.05629	1.2
179.14404	1.5
181.12320	1.3
183.13853	0.7
185.11798	0.4
191.14497	0.5
193.12338	1.2
193.15990	1.2
197.11847	0.8
207.10384	0.7
209.11862	2.3
211.13329	2.7
212.13823	0.4
223.13361	1.4
227.12932	1.7
233.22638	0.4
235.08244	2.8
247.20677	5.2
248.21008	0.8
253.09286	17.6
254.09557	0.4
259.20721	0.4
273.18604	2.5
275.20090	0.7
277.21713	100.0
278.22083	10.8
279.22601	0.6
289.17859	0.5
291.19653	71.4
292.19986	6.9
293.16525	0.4
293.21213	0.7
308.19321	0.4
309.20715	91.2
310.21091	9.6
335.22906	0.4
351.21744	0.5
527.28381	1.0
545.30060	0.9
546.42102	0.4
547.71252	0.5
569.41998	0.6
641.93207	0.4
687.77057	0.4
790.96338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14408	2.2
59.01387	2.6
61.98823	5.9
69.03464	2.5
69.32803	17.2
70.00661	2.3
78.95903	83.3
79.95767	3.3
80.96512	8.9
84.02158	5.0
94.98103	4.0
96.96998	3.8
97.02952	3.2
97.06592	9.8
99.82208	2.5
99.92575	6.2
110.98603	2.6
127.40865	2.5
152.98363	4.6
152.99580	75.9
153.99864	2.4
171.00620	5.7
171.10257	26.7
193.12326	12.4
196.89491	3.4
211.13388	4.5
225.14926	16.7
227.03223	6.2
237.92990	2.4
243.15982	9.9
253.14688	2.6
253.21721	24.1
255.23354	13.7
277.21533	4.5
279.23245	3.5
287.83078	2.7
291.19751	4.3
341.23300	35.4
342.23700	4.2
477.22739	6.3
551.26379	4.6
569.27295	100.0
570.27930	14.8
805.48993	80.6
806.49420	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	805.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01923	0.6
57.03448	26.4
59.01381	26.5
63.38525	0.6
68.93260	0.6
69.03452	1.9
71.01389	2.0
71.03031	0.8
71.03366	1.0
73.02948	2.1
81.03451	1.0
81.08988	0.7
83.05016	2.3
85.02959	6.9
87.00873	1.1
87.04504	0.8
87.69769	0.6
93.03465	12.2
95.05054	0.9
97.02976	0.9
97.86987	0.7
99.04542	3.2
99.76411	0.7
107.01398	2.6
109.06590	15.5
111.00814	0.6
111.04521	15.9
111.05227	0.7
123.08157	2.6
125.02452	30.5
125.06070	1.6
127.04086	0.8
133.06619	0.8
135.08167	22.4
136.08490	1.4
137.02452	29.4
137.03510	1.6
137.09720	13.7
138.02808	0.9
138.06848	2.6
138.10043	1.0
149.09731	4.9
153.09233	7.8
155.03503	9.9
163.11299	12.1
167.10751	8.9
168.11140	0.8
169.01421	50.0
170.01688	1.5
173.04550	11.7
175.07523	0.8
175.11331	1.2
177.09207	28.0
178.09608	2.3
178.75484	0.6
187.67970	0.8
191.05652	0.9
191.10789	6.6
193.12331	100.0
194.12643	7.5
201.05537	0.7
211.13388	44.4
212.13695	2.4
217.12343	4.7
235.13390	27.1
236.13783	1.4
253.14438	21.4
254.14743	1.5
255.12459	3.8
293.06570	1.1
297.13367	12.3
298.13721	0.8
311.07773	2.9
325.05615	11.0
343.06528	1.2
463.08795	65.0
464.09119	7.2
628.77838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	3.9
59.01376	3.5
63.83944	0.8
71.01379	2.0
71.55598	1.6
78.69576	0.8
81.03427	2.2
83.01376	1.8
85.02931	1.7
96.96011	2.1
97.41930	0.8
107.01400	2.3
108.02190	1.2
109.02934	0.8
123.00880	2.9
123.04519	21.3
124.01651	1.2
124.04879	1.1
125.02447	31.6
126.02778	1.4
137.02484	0.8
137.09708	7.4
139.00360	0.9
147.08110	1.1
149.02452	1.6
151.00342	2.5
159.08078	0.9
163.11256	11.3
165.01993	1.0
167.03491	53.1
168.00604	2.2
168.03844	2.3
169.01425	32.4
170.01793	1.6
173.09668	0.9
175.11284	1.8
183.03076	0.9
191.03497	4.0
201.09138	1.4
209.04520	1.2
211.02466	7.4
212.44455	0.8
217.12315	23.3
218.12578	1.9
235.13354	9.9
236.13672	0.9
241.03470	1.8
265.70786	1.0
271.04584	5.8
279.12253	1.7
313.05640	12.7
317.02997	1.3
439.08536	2.0
445.80612	0.8
481.09860	100.0
482.10187	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	804.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98545	0.3
67.52541	0.2
71.01383	0.2
71.54899	0.2
73.86433	0.2
78.95889	0.2
80.96507	0.2
89.02439	0.2
105.93270	0.2
116.42672	0.2
116.43565	0.2
121.10222	0.2
125.02425	0.4
125.09766	0.2
133.04907	0.2
149.24078	0.2
169.01402	0.3
185.11880	0.4
186.12019	0.2
195.13861	0.3
223.13400	0.3
253.09428	0.9
254.09572	0.2
277.17984	0.4
277.21198	0.2
291.19641	2.5
292.20059	1.3
293.21231	3.0
294.21600	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99360	0.1
61.98829	100.0
62.98535	0.3
63.99290	0.1
69.21232	0.6
69.21655	0.4
73.49029	0.1
78.95880	0.1
80.96525	0.1
87.72501	0.1
98.20649	0.2
125.02515	0.1
139.08975	0.1
169.01553	0.1
235.56290	0.1
248.36005	0.1
291.19736	0.4
292.20081	0.2
293.21478	0.2
305.77649	0.1
445.91000	0.1
643.08838	0.1
655.96521	0.1
755.81415	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	803.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.9
61.98532	0.7
61.98830	10.4
71.01394	4.2
71.05002	0.8
73.02935	1.3
77.15911	0.5
80.91663	0.5
81.03471	0.5
82.95415	4.1
83.01387	0.6
83.05013	0.8
84.00880	1.4
85.02970	0.7
87.00858	0.8
89.02445	2.4
97.02914	0.7
99.00849	0.7
101.02415	2.8
109.06599	4.6
111.04514	0.9
113.02439	1.2
114.09715	0.6
123.08138	0.9
127.07727	0.6
143.03436	0.8
145.06621	0.7
146.91603	0.6
161.04535	1.7
167.10739	0.9
191.14442	0.9
195.13844	1.4
197.11955	0.8
235.08203	6.6
245.19188	3.0
253.09285	11.4
271.16852	0.7
275.20187	1.7
277.21716	100.0
278.22079	9.6
287.16394	1.1
289.18091	67.1
290.18457	6.1
291.19669	1.7
293.20935	0.7
307.19104	5.5
309.20840	1.1
803.42236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01100	0.5
59.01377	6.4
61.98826	4.6
67.11104	0.3
71.01382	4.7
71.05037	0.4
73.02939	0.7
83.01405	0.5
83.05033	0.9
85.02962	1.6
87.00878	1.1
89.02425	3.2
93.03498	0.4
95.04995	0.8
97.06588	0.7
98.20701	0.6
99.00864	0.4
101.02434	4.2
103.87490	0.3
109.06582	0.6
111.08162	9.1
113.02445	2.2
113.09714	0.7
119.03513	0.9
121.10292	0.3
137.09689	0.8
139.11237	0.4
143.03458	0.4
145.05049	0.6
149.09702	0.6
153.09090	0.3
161.04544	1.7
163.11237	0.5
167.10765	2.5
175.97984	0.3
177.12831	2.0
179.05580	0.6
179.10768	1.9
179.14395	0.7
195.13889	12.4
196.14342	1.2
203.14319	0.4
205.12253	0.5
205.15950	0.6
209.11789	0.8
211.13393	0.3
219.13860	0.4
221.11812	0.5
223.13379	4.6
228.13603	0.9
231.21063	0.5
232.21579	0.3
235.08244	3.6
245.19002	0.5
247.20555	1.7
248.21049	0.4
253.09276	15.7
254.09622	0.8
256.13223	1.5
265.21655	0.5
273.18628	1.2
275.20132	4.9
276.20404	0.5
277.21704	9.7
278.22134	0.8
289.18143	1.9
291.19650	100.0
292.19995	11.3
293.21216	80.6
294.21527	8.4
307.19119	3.6
308.19528	0.5
335.22180	0.4
525.27319	0.5
527.28613	7.0
528.29004	1.0
529.30408	1.1
567.40430	0.6
734.42694	0.7
803.49799	1.6
805.27252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.0
61.98833	13.7
71.01377	4.0
73.02957	1.3
73.42854	1.3
78.95908	7.5
79.95730	4.6
80.05057	2.0
85.02959	2.0
89.02435	2.9
93.57757	1.4
96.96012	100.0
96.96925	13.0
100.04066	2.1
101.02375	2.5
104.05036	1.5
106.06640	3.1
108.04557	1.3
109.02951	1.9
113.02493	3.1
122.06129	2.4
124.07621	1.8
125.02423	8.9
127.19579	1.2
132.04584	2.5
133.64500	1.2
148.04059	4.4
150.05615	1.6
159.09415	1.2
160.03996	1.8
167.03499	2.3
169.01433	5.0
171.10265	3.9
177.01884	1.8
183.10263	3.1
210.17889	1.5
211.13376	14.5
218.13507	1.4
224.09474	2.3
225.10320	3.9
230.31392	1.3
239.11955	1.8
251.08165	8.5
255.11534	1.5
265.09726	4.3
267.11270	9.1
271.02478	1.3
273.12469	3.5
293.09329	20.3
294.09503	2.2
300.02628	1.4
301.03485	2.7
309.21695	1.2
311.10477	11.1
333.72559	1.2
335.12549	1.5
341.23187	3.6
355.09308	12.8
379.01770	1.4
379.58438	1.3
397.13364	3.2
418.07230	1.5
580.15356	1.8
655.20374	7.0
673.21509	23.8
674.21655	5.2
687.22955	2.6
705.23523	7.0
706.23981	1.9
803.33575	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	803.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.3
61.98827	4.0
69.03440	1.3
69.74002	2.0
71.01381	9.9
72.99307	0.7
73.02934	1.9
75.00867	0.5
81.03485	0.5
83.01369	1.2
85.02957	2.5
87.00882	2.8
89.01925	0.6
89.02448	8.5
95.01387	0.7
96.96013	0.6
97.02939	1.7
98.19949	0.7
98.38483	0.4
99.00889	0.9
101.02436	7.2
103.66463	0.4
109.06625	0.4
112.38914	0.3
113.02457	4.3
118.58696	0.5
119.03498	2.2
119.79484	0.4
123.00873	0.4
125.02452	5.9
125.09683	0.4
127.03984	0.4
132.83279	0.3
139.04027	0.6
142.74756	0.4
143.03464	0.7
144.31409	0.4
149.04485	0.4
161.04526	2.5
165.12730	0.6
167.03516	0.6
167.14430	0.5
169.01393	1.8
171.10306	1.0
177.01872	0.8
179.05659	2.5
183.13904	7.4
184.14235	0.5
193.12323	1.7
199.06096	0.4
204.68034	0.4
209.11874	3.2
211.13383	100.0
212.13693	7.6
216.05513	0.4
217.36424	0.3
221.06699	0.8
225.11301	0.7
225.15005	0.4
235.08212	2.4
253.09322	0.7
259.08319	0.5
263.07773	0.4
287.07764	0.8
307.19107	0.6
341.23492	0.8
379.12497	3.9
397.13464	21.7
398.13812	1.6
415.14621	5.3
591.26440	3.6
592.26917	0.7
609.27606	5.2
610.28461	0.8
785.40533	1.5
803.43549	0.6
804.31494	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.98830	100.0
62.98534	0.2
71.01380	1.0
87.93484	0.2
89.02483	0.5
95.05045	0.3
101.02450	0.6
109.06578	1.2
113.02430	0.4
118.95030	0.2
122.49279	0.2
123.08171	0.3
127.07664	0.3
127.82775	0.2
161.04637	0.4
191.14494	0.3
195.14037	0.4
235.08231	0.5
245.19142	1.1
253.09291	2.0
277.21707	13.0
287.16647	0.4
289.18085	19.8
307.19098	1.8
359.56412	0.3
512.93091	0.3
525.27063	0.7
553.27924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.0
59.01389	14.3
61.98833	47.1
62.98545	2.7
71.01359	8.0
71.23807	4.9
78.95888	2.8
85.02937	2.5
87.00890	5.3
89.02416	2.6
89.21111	2.7
96.96009	23.9
101.33538	2.5
107.01387	3.9
109.02908	4.0
113.02445	5.0
123.00938	3.5
125.02449	19.2
135.00867	4.0
136.01700	2.7
137.02437	21.7
148.01598	4.0
150.06824	3.5
151.00320	4.3
151.04036	3.2
159.04581	2.8
161.02396	4.9
163.00377	36.0
164.01036	7.4
165.01927	17.4
167.03404	3.0
169.01433	15.3
175.00272	3.1
176.01125	15.4
177.01851	8.5
179.10744	4.1
183.04430	2.7
183.13829	2.7
188.04756	5.3
190.99937	11.7
199.04019	3.8
204.00572	5.1
205.01379	4.3
209.11769	2.8
211.03911	9.4
211.13329	6.6
215.03436	4.6
216.04147	7.6
227.03363	11.3
228.04115	2.8
229.01341	4.1
239.03502	8.4
243.02896	9.3
244.03700	8.1
255.02983	14.9
256.03641	6.2
257.00839	7.8
257.04514	4.1
271.02347	7.7
272.03116	10.9
273.04068	4.4
282.01501	2.9
283.02417	51.0
284.02902	8.4
285.03964	4.4
299.01959	48.8
300.02689	12.6
301.03369	3.7
311.02051	16.8
312.02240	3.4
327.01373	11.9
328.02206	100.0
329.02994	87.8
330.03302	7.1
475.08835	92.0
476.09409	12.8
641.42590	7.6
656.14899	11.6
657.15869	8.9
803.21643	98.5
803.34564	4.2
804.21796	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
59.01102	1.3
59.01380	20.1
63.20807	0.6
69.66033	3.0
69.66456	1.7
71.01376	4.7
73.02934	1.7
73.72729	0.8
83.01376	0.9
85.02958	4.1
85.66490	0.9
89.02444	1.1
95.01382	1.7
96.96043	0.8
98.20640	0.8
101.02477	1.8
105.93189	0.7
108.02172	57.0
108.29512	0.7
109.02978	14.8
110.03283	0.8
111.59392	0.7
113.02431	2.9
116.85123	0.7
125.02431	4.0
135.04526	1.8
137.02408	1.1
151.03978	2.1
152.01147	100.0
153.01804	6.0
161.04541	1.4
163.04001	5.9
167.03441	1.3
169.01405	2.8
177.01955	2.2
179.03499	1.6
207.03017	1.2
207.13889	0.9
222.73705	0.7
225.14937	2.3
268.86362	0.7
270.66663	0.8
273.07535	1.2
286.04291	0.8
286.20651	0.8
305.06271	0.8
315.07297	2.5
403.12411	2.0
429.10333	14.4
430.10486	1.7
447.11401	12.8
448.11935	1.1
489.12567	7.6
510.50125	0.8
568.65985	0.9
637.24768	3.8
651.17926	2.1
655.26074	18.8
656.26111	3.5
681.24078	1.5
682.25269	0.8
699.25043	13.8
700.25677	2.9
717.26117	1.3
741.25928	1.7
759.27130	43.2
760.27570	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	801.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86320	2.9
57.03441	6.4
59.01378	76.6
61.52361	3.2
61.98831	38.3
69.03453	9.5
70.39481	10.9
70.39821	3.3
71.01378	67.7
72.99302	7.3
73.02944	8.5
75.00853	7.9
79.39235	3.0
81.03408	3.7
83.01388	9.3
83.05028	10.7
85.02941	18.6
86.44931	3.2
87.00867	18.4
89.02441	49.5
89.47736	3.9
93.03449	3.3
95.01392	10.4
95.05000	5.0
95.48739	3.3
96.72942	3.0
96.95995	10.7
97.02940	12.2
97.06604	6.6
99.00863	4.5
101.02430	39.3
111.08171	6.9
113.02454	19.2
119.03487	6.6
121.02976	3.4
123.08208	4.7
124.01681	7.0
125.02450	80.6
125.09770	20.4
135.04486	3.2
137.02406	7.0
139.03996	6.4
143.03441	5.1
151.11383	3.1
161.02477	5.3
161.04512	6.8
167.03439	6.6
169.01421	100.0
171.10265	55.8
177.01848	4.6
179.05592	13.8
205.15904	4.9
209.11836	12.3
211.13391	16.9
215.14426	10.1
221.06693	10.3
221.15466	3.6
231.13770	5.1
233.15469	54.0
234.15756	4.8
235.08261	5.4
237.57880	3.7
249.14987	27.9
317.17587	6.1
321.02438	5.1
341.24957	7.1
379.12460	5.6
385.23611	19.5
393.26584	4.0
397.13516	31.2
403.24829	42.1
404.25079	4.3
421.25922	21.8
422.26288	3.9
479.20615	5.6
497.21738	11.1
551.22906	4.7
623.46423	3.7
649.22906	5.0
773.39746	4.3
783.38214	98.4
784.38007	29.7
801.39166	89.0
802.39648	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.2
61.98829	100.0
70.71671	0.4
70.71987	0.4
78.95908	0.7
89.94273	0.3
101.02476	0.3
117.24492	0.2
125.02466	0.5
128.24483	0.3
152.99625	0.3
208.18974	0.2
209.11932	0.3
211.13448	0.3
253.09396	0.3
275.20090	0.4
277.21945	0.3
289.18143	0.7
290.18375	0.5
291.19571	0.8
293.21280	1.1
294.21689	0.4
311.22250	0.3
397.13174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.4
58.15599	0.8
59.01375	5.5
61.98811	1.2
67.01881	1.1
69.03456	2.2
71.01392	6.9
71.56321	1.2
72.99297	1.5
73.02940	2.5
73.73790	0.8
75.00870	5.4
79.01864	0.9
81.03431	1.1
83.01372	1.8
85.02943	5.0
87.00882	1.6
89.02438	2.8
95.01386	2.3
96.96001	2.8
97.02936	2.4
99.00857	1.9
101.02451	2.8
101.34670	0.8
107.01403	6.6
108.02178	2.9
109.02935	2.1
111.00880	3.5
111.98975	0.8
113.02438	3.2
119.05042	1.7
123.00896	11.2
124.01650	2.8
125.02451	53.8
126.02784	1.7
127.00316	1.1
129.01952	1.0
136.98801	1.9
137.02426	2.6
139.00391	5.1
139.03999	1.6
140.01164	4.7
149.02385	1.0
151.00348	3.7
152.01178	5.3
157.99899	0.9
159.02988	2.5
161.04561	0.9
165.01823	1.6
166.99831	2.8
167.03474	1.4
168.00642	8.4
169.01425	74.9
170.01794	3.8
177.01892	3.6
177.04047	10.1
179.03484	1.4
193.01389	1.6
209.00916	2.3
211.02478	3.5
220.09732	0.8
223.02544	1.2
248.07489	0.8
271.04538	1.6
279.00101	0.7
297.06006	1.1
305.06558	1.1
311.04117	5.3
313.05576	3.1
329.05133	4.8
345.15396	2.3
453.17719	1.8
481.06140	1.8
497.16721	6.9
498.16748	0.9
649.17731	100.0
650.18085	18.6
657.27057	0.9
765.22327	1.2
800.39734	2.9
801.21149	1.7
801.39893	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	801.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.3
61.98819	3.0
61.99725	0.9
66.74168	0.9
67.01891	1.3
69.03438	3.4
69.17989	2.2
69.18394	8.5
71.01373	5.0
75.00871	2.7
81.03468	1.3
83.01394	1.5
85.02936	3.0
89.08447	1.0
95.01377	4.0
96.96024	3.0
97.02932	3.4
99.00862	2.3
101.02431	2.9
105.74277	1.0
107.01386	8.7
111.00874	3.9
113.02437	2.2
123.00910	11.5
124.01651	2.4
125.02448	72.9
126.02747	2.3
136.98752	2.6
137.02402	3.1
139.00360	6.1
140.01140	4.5
141.01967	1.7
151.00340	4.3
153.01895	1.2
159.03058	1.6
161.02446	1.9
163.04005	1.3
166.99828	4.4
167.03479	1.8
167.99347	1.4
168.00609	6.3
169.01425	100.0
170.01730	4.8
177.01874	1.7
177.03981	3.7
179.03583	1.1
193.01405	1.5
209.00925	1.9
211.02431	2.0
305.06729	1.5
311.04099	4.1
313.05759	1.6
329.05148	6.3
333.75562	1.1
463.05426	1.9
481.06598	1.5
497.16577	3.5
633.07452	10.7
634.07532	2.0
649.17633	25.2
650.17780	4.3
801.18823	51.3
802.19116	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	801.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	10.4
59.01378	2.5
69.03444	1.6
69.78418	1.9
71.01368	0.8
73.02944	1.9
79.01900	0.5
81.03467	0.5
83.01381	0.8
83.05016	3.9
85.02952	6.9
85.06583	1.5
95.05023	1.0
97.02943	1.3
97.06598	0.7
98.03738	0.5
99.04504	1.0
99.08166	1.4
101.02452	0.5
105.03446	0.6
107.01382	0.6
109.02954	1.4
109.06593	1.7
111.04521	0.6
123.00864	1.0
123.08147	1.9
124.01646	0.8
125.02447	54.0
126.02765	1.7
135.08139	1.5
136.91212	0.5
137.02417	2.2
137.09723	2.3
138.09872	0.6
139.04030	1.3
139.11296	1.6
149.09665	2.5
151.04031	0.6
151.11351	2.1
153.09190	0.6
155.10764	1.2
161.02452	3.3
163.11299	3.4
164.67944	0.5
165.01923	1.5
165.12872	1.3
166.99910	0.5
167.03494	2.0
167.10733	0.8
167.14468	0.7
168.00580	0.4
169.01430	100.0
169.11018	0.6
169.12350	6.4
170.01784	5.5
177.09224	1.3
177.12816	1.7
179.03502	0.9
179.10759	0.7
180.40884	0.4
181.12453	0.5
188.17448	0.4
193.01445	1.5
193.12395	4.0
194.12674	1.6
195.13910	97.8
196.14218	6.0
201.05603	0.5
211.13394	1.2
213.15002	0.9
219.06677	0.7
235.13382	0.7
236.13635	0.5
237.14937	1.5
253.14458	0.6
255.16017	10.3
256.16336	1.0
257.13895	1.7
269.04565	1.0
287.05588	1.7
299.14990	8.4
305.06686	8.5
306.06897	0.6
331.04648	1.4
352.93262	0.5
457.07758	15.3
458.08160	2.0
574.04266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08400	1.7
59.01376	4.3
61.98827	26.6
65.29092	2.4
71.01368	6.5
71.12150	2.6
71.12466	3.4
73.02885	2.4
74.49899	2.2
75.00851	3.1
78.95907	64.1
78.98580	4.2
79.95737	11.8
80.96513	70.2
83.05022	2.9
85.56718	2.2
87.00829	2.3
94.98082	17.5
96.96976	13.3
97.02901	2.9
101.02412	2.2
106.98063	3.6
115.52692	2.0
122.97494	2.7
125.02480	4.8
127.11232	2.3
134.97566	5.0
137.09698	2.1
148.99095	6.3
152.98547	5.2
152.99573	9.1
159.92293	2.1
164.98610	11.2
171.10263	4.2
181.64468	2.2
184.04475	1.8
201.11334	41.4
209.11836	39.1
211.13356	6.3
220.78999	2.0
225.00725	17.4
227.12823	4.3
241.01170	30.0
255.23279	28.9
256.23602	3.1
277.21652	7.2
327.21591	3.5
709.38361	29.7
710.38977	4.9
781.40411	15.9
799.42078	100.0
800.42340	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	799.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	21.1
61.98809	2.2
62.76801	2.0
70.84921	5.0
71.01396	4.9
78.95926	2.9
78.98611	2.4
79.95739	5.3
80.96514	32.0
89.02484	2.7
94.98070	6.2
101.02428	3.6
106.98043	1.8
122.97505	2.2
134.97568	2.0
152.98627	2.7
164.98573	4.9
183.13910	4.4
211.13379	85.8
212.13715	4.6
225.00813	11.4
225.02585	2.5
235.08177	4.9
253.09315	9.4
255.23161	2.2
277.21716	100.0
278.22168	10.2
278.24811	2.0
429.20929	2.3
447.22153	4.0
473.75153	1.9
511.66577	2.1
513.30670	2.2
709.38300	30.2
710.38434	6.6
762.66187	2.1
781.41040	5.8
799.41229	9.5
800.39935	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	800.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80531	0.3
59.01382	0.7
61.98829	100.0
69.71163	0.3
71.01400	0.5
71.53310	0.3
72.73273	0.3
72.99297	0.4
88.98836	0.5
96.95998	0.8
113.02468	0.4
124.86274	0.2
125.02456	2.8
137.02469	0.4
147.81395	0.3
161.02475	0.4
167.03564	0.5
169.01448	2.4
177.02013	0.3
255.02995	0.4
284.03442	0.3
285.03998	0.9
330.24887	0.3
426.13568	0.3
628.67047	0.3
801.33728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
61.98830	100.0
62.98537	0.3
71.01376	0.3
78.95930	0.2
90.50780	0.2
98.19825	0.3
116.92879	0.4
125.02444	1.0
134.48424	0.2
169.01489	0.6
177.01968	0.2
209.11833	0.8
211.13469	0.3
227.12775	0.3
247.43114	0.2
290.61514	0.2
293.21375	0.7
294.21716	0.5
309.20563	0.3
378.34198	0.3
424.29074	0.2
800.47949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55466	6.9
71.01395	3.3
85.02924	5.1
93.03436	9.5
107.01374	9.1
111.04503	4.2
123.00874	3.2
125.02448	51.1
126.02750	3.9
126.99278	3.1
137.02399	7.1
155.03514	8.4
169.01436	96.8
170.01764	4.3
173.04520	21.9
174.47510	2.8
191.05588	17.7
196.98958	3.4
229.44072	3.1
305.06671	4.8
325.05545	14.9
343.06702	16.6
352.24097	3.1
399.92691	4.5
457.07101	4.9
495.07629	100.0
496.08041	11.4
619.51184	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	799.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	30.9
59.01381	27.4
68.18381	1.2
69.03452	1.9
69.45872	9.3
71.01386	1.9
73.02953	1.8
76.03490	1.1
76.69817	1.2
81.03458	1.7
83.01382	3.2
83.04991	1.1
85.02949	17.4
91.44987	1.3
95.05030	1.4
96.96014	1.6
97.02939	1.3
99.04507	2.9
107.31052	1.3
109.02937	2.7
109.06593	15.7
111.00882	5.1
111.04532	9.6
111.85548	1.2
123.08172	3.7
125.02452	73.1
126.02792	2.2
129.01917	5.3
135.08170	24.5
137.02460	8.2
137.09740	15.9
138.06848	3.5
139.04042	3.8
149.02502	1.2
149.09697	4.4
153.09216	6.1
161.02417	3.0
163.11279	10.4
164.01189	2.4
165.01955	6.3
167.03459	6.1
167.10760	10.1
169.01437	100.0
170.01764	3.1
173.04561	1.6
177.05544	1.3
177.09218	27.0
178.09651	1.9
179.03465	4.2
191.05626	3.3
191.10826	6.6
193.01433	1.8
193.12347	97.6
194.12680	6.9
205.03546	4.8
211.13402	42.3
212.13771	3.3
217.12302	3.5
219.06570	3.6
223.04579	16.3
235.13394	24.2
253.14427	20.1
254.14928	1.4
255.12404	3.0
261.07669	2.1
269.04398	1.2
285.19122	1.2
287.05682	2.3
297.13406	9.0
305.06677	21.7
306.06689	1.6
319.04379	2.2
331.04691	2.1
341.08545	4.2
373.11850	1.2
374.06723	1.1
381.51257	1.5
457.07816	28.6
458.08139	4.1
495.07803	5.0
691.89716	1.2
788.12408	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	12.5
59.01379	19.1
60.89743	1.5
69.03454	2.6
71.01378	13.6
71.52865	2.1
72.99319	2.2
73.02940	2.1
80.99668	1.5
81.03447	2.0
83.01380	4.5
83.51323	1.5
85.02953	15.5
87.00882	4.0
89.02436	4.2
92.44501	1.6
93.03477	1.9
95.01393	4.8
96.26657	1.8
97.02950	3.9
99.00865	1.8
101.02438	2.1
107.01403	16.8
109.02958	4.3
109.06578	5.1
111.00875	4.5
111.04480	4.6
113.02450	13.8
123.00874	8.0
124.01700	2.7
125.02447	96.5
126.02784	4.3
135.08159	6.9
136.98782	1.8
137.02460	12.7
137.09714	5.2
139.00359	6.0
139.04015	7.3
140.01152	6.1
140.02144	1.9
141.01921	3.3
141.03050	1.6
149.09735	1.8
151.00343	3.8
151.04041	1.7
151.06119	8.5
155.03491	2.1
163.04047	3.2
163.11269	4.6
164.01128	2.4
165.01909	9.3
166.99867	1.5
167.03482	11.6
167.10786	3.4
168.00604	5.8
169.01419	100.0
170.01773	5.0
173.04552	5.4
175.04047	2.2
176.04604	1.7
177.01897	3.4
177.05632	2.0
177.09186	10.0
179.03534	9.7
191.05623	4.6
191.07167	2.3
191.10780	3.5
193.01376	2.6
193.05000	1.7
193.10712	2.9
193.12344	33.3
194.12640	2.0
195.13771	2.2
203.03497	2.0
207.02957	1.7
211.13396	12.1
217.12296	2.5
219.06560	5.4
221.04515	4.4
235.13396	6.5
239.03992	2.2
253.14423	6.5
261.07645	4.1
297.13428	3.6
305.06647	45.8
306.06900	4.4
319.04636	1.6
323.45892	1.7
343.06592	4.4
455.08682	4.0
456.09558	2.0
457.07755	45.2
458.08038	4.4
495.07837	10.9
647.09747	3.5
647.20428	9.0
648.21472	2.2
799.21649	43.1
800.21570	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	797.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
59.01378	3.1
60.99301	0.5
61.01507	0.4
61.98833	2.3
69.03452	3.2
71.01379	1.6
71.52271	0.6
72.99331	0.6
73.02930	0.7
75.00877	0.7
79.01886	0.9
81.03465	1.2
83.01397	3.7
85.02955	1.0
85.81880	0.3
87.00857	0.9
88.98796	4.6
89.02451	0.7
93.03463	1.1
95.01387	1.6
95.05033	0.8
96.96015	1.3
97.02934	2.0
99.00886	0.5
101.02461	0.7
105.03452	1.6
107.01369	0.8
109.02960	3.5
111.00942	0.5
111.04502	0.5
113.02468	1.2
116.88367	0.4
116.92898	0.4
119.05080	0.4
121.02985	0.8
123.00876	1.5
124.01643	1.5
125.02444	74.5
126.02784	2.8
133.02997	0.5
137.02441	23.8
138.02840	1.1
139.00368	0.4
139.03987	1.6
145.79123	0.4
147.04475	0.5
149.02446	2.4
150.03198	0.5
151.00380	0.7
151.03905	0.9
153.14288	0.4
161.02432	12.6
162.02878	0.5
163.06163	0.5
164.01176	0.7
165.01900	1.5
165.05473	0.5
166.99892	0.9
167.03474	2.1
169.01416	100.0
170.01755	4.2
174.03200	0.9
175.03935	2.4
176.04596	0.4
177.01921	2.4
177.05548	0.4
179.03441	1.2
189.05603	0.9
191.03580	0.5
193.01401	3.2
229.04898	0.6
231.06601	3.6
237.05679	0.4
271.06039	0.5
273.07523	1.7
281.04471	1.5
287.05701	0.4
299.05545	6.1
300.05786	0.6
305.06671	1.8
317.06656	3.2
327.12357	1.2
343.04648	0.5
410.89584	0.5
447.28961	0.4
465.15509	5.4
466.15988	0.9
469.07672	1.4
477.15253	0.6
609.17456	0.5
627.18683	4.2
628.18896	0.8
645.19391	1.2
671.18152	0.9
796.42047	0.6
797.42249	0.5
798.35858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
60.99307	17.9
61.98529	0.4
61.98830	5.0
69.81520	0.3
71.01379	0.8
71.55821	0.4
72.85007	0.3
75.00871	0.5
75.84233	0.3
78.84969	0.3
79.69898	0.3
84.83143	0.3
87.00888	0.6
88.00413	1.5
88.98806	100.0
89.02434	4.3
89.99158	1.1
101.02422	0.3
122.56364	0.3
123.04784	0.3
125.02443	1.8
167.03462	0.4
168.18831	0.4
169.01433	1.4
177.01830	0.4
291.19650	1.4
292.19980	0.4
310.32950	0.3
429.21552	0.3
515.22668	0.3
684.50104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75634	0.1
60.19473	0.1
60.26382	0.1
61.98831	100.0
70.69987	0.1
78.95925	0.2
78.98328	0.1
82.40421	0.1
95.26422	0.1
112.36585	0.1
125.02457	0.2
152.99553	0.2
153.45276	0.1
155.51965	0.1
169.01436	0.2
170.04045	0.1
177.14969	0.1
224.13770	0.1
229.00372	0.1
293.21307	0.2
655.83514	0.1
724.01111	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.5
61.39164	0.3
61.98830	2.6
70.86517	0.8
73.02955	2.4
75.00866	0.3
78.95916	0.5
83.18000	0.3
99.00887	0.4
99.92583	12.0
100.92602	0.7
114.93382	0.7
116.92857	100.0
116.97250	3.6
117.01929	4.0
117.92863	6.5
123.00903	0.4
125.02477	2.4
137.02461	0.5
151.00266	0.4
167.03578	0.6
168.00705	0.4
169.01375	1.7
177.38950	0.3
209.11786	0.5
216.35292	0.4
292.99258	0.4
293.21249	1.2
305.06476	0.4
317.03040	1.4
340.24976	0.4
449.06915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80027	0.1
59.01378	0.5
61.98831	1.1
65.65266	0.1
71.01387	0.3
71.96731	0.1
73.02943	3.9
75.00875	0.2
77.15254	0.1
78.95913	0.4
80.96506	0.6
87.00882	0.2
94.98054	0.2
99.00876	1.1
99.92580	12.2
100.92593	0.5
113.07034	0.1
114.93410	0.4
115.99866	0.2
116.03603	0.1
116.92859	100.0
116.97218	1.2
117.01938	7.3
117.92873	5.6
118.02244	0.1
118.05092	0.1
118.41393	0.1
125.02464	0.2
129.61729	0.1
135.57277	0.1
142.31285	0.1
149.83473	0.1
150.56161	0.1
169.01460	0.2
186.71230	0.1
234.53851	0.1
293.21191	0.1
397.13492	0.2
548.13806	0.1
793.51648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	25.1
59.01381	28.2
64.25413	1.2
66.32684	1.3
69.03451	2.3
69.21964	8.7
69.22387	3.6
71.01364	1.6
73.02959	2.8
85.02949	6.5
97.06578	1.7
99.04517	2.4
105.07059	1.5
107.01392	2.0
109.06585	18.7
111.04522	8.4
121.06538	1.3
123.00878	2.5
123.08146	3.9
124.01658	3.1
125.02457	11.9
126.02873	1.4
133.43880	1.3
135.08182	22.9
137.09726	13.8
138.06892	2.5
143.70476	1.3
149.09727	5.1
151.00407	1.8
153.09245	6.1
161.02357	1.6
163.11276	9.6
167.10782	7.9
168.00757	1.4
169.01437	18.8
177.09207	28.4
178.09575	1.8
191.10750	7.1
193.12338	100.0
194.12726	6.2
206.78098	1.3
211.13405	42.4
212.13693	2.0
217.12347	6.3
235.13403	23.4
236.13684	2.1
253.14450	21.6
254.14897	2.1
255.12303	1.6
297.13428	9.7
313.05710	1.8
453.10428	20.5
454.10666	2.1
507.63690	1.6
560.04266	1.3
724.05701	1.4
785.73517	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	790.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88764	1.0
58.00592	1.0
59.00925	1.1
59.01384	8.8
61.98826	3.5
61.99147	0.9
65.26054	1.2
69.03437	2.1
70.83868	1.3
70.84228	3.3
71.01374	8.5
72.99294	1.4
73.02934	2.2
74.88618	1.1
78.12444	1.0
79.01901	1.4
81.03423	1.3
82.30641	1.0
83.01383	1.4
85.02943	3.6
87.00882	1.5
89.02448	3.8
95.01379	4.3
99.00874	1.5
101.01826	1.1
101.02409	5.6
105.48501	1.3
107.01398	8.5
111.00877	5.4
113.02431	3.5
123.00902	13.6
124.01661	3.5
125.02453	64.6
126.02773	1.9
127.00361	1.9
128.65541	1.2
130.08745	79.8
131.09059	1.8
136.98810	2.6
137.02409	1.9
139.00383	6.3
140.01187	5.5
141.01953	1.2
151.00357	6.5
163.03990	1.4
167.03539	2.3
168.00577	8.4
168.99979	2.6
169.01422	53.4
170.01776	1.5
177.02057	1.9
183.13866	2.3
209.11804	2.1
210.12282	1.0
227.12810	1.9
306.20709	3.0
369.94507	1.2
468.25739	1.4
486.27072	24.9
487.26804	2.2
507.18622	5.4
525.19574	2.1
614.75610	1.3
638.28162	35.8
639.28735	6.8
790.29272	100.0
791.29474	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	11.9
71.01370	12.3
73.02936	2.2
78.95901	3.8
78.98573	6.3
79.95739	17.0
80.96516	100.0
81.03437	2.5
87.00871	3.2
94.98077	17.0
96.95985	3.5
98.20657	3.8
101.02442	3.6
106.71653	2.2
106.98060	4.1
122.97554	6.1
125.02413	6.6
134.97574	6.0
139.67191	2.3
148.54945	2.1
148.99072	6.9
152.98529	7.1
152.99602	5.1
164.98573	14.6
183.13872	3.4
196.41592	1.8
206.99611	3.2
225.00725	23.6
229.18608	2.5
255.23216	5.1
367.53894	2.3
429.08130	2.3
555.24597	3.2
599.00452	2.2
714.45837	2.6
718.43750	2.2
791.42450	93.4
792.42523	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	791.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06995	5.7
61.98833	100.0
71.53601	13.5
78.95891	23.8
96.67711	6.4
96.99973	5.7
101.60735	6.5
152.99562	6.3
157.11572	7.9
162.29895	6.2
209.11783	25.2
277.21713	29.0
482.02188	7.5
647.25470	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	790.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88764	1.0
58.00592	1.0
59.00925	1.1
59.01384	8.8
61.98826	3.5
61.99147	0.9
65.26054	1.2
69.03437	2.1
70.83868	1.3
70.84228	3.3
71.01374	8.5
72.99294	1.4
73.02934	2.2
74.88618	1.1
78.12444	1.0
79.01901	1.4
81.03423	1.3
82.30641	1.0
83.01383	1.4
85.02943	3.6
87.00882	1.5
89.02448	3.8
95.01379	4.3
99.00874	1.5
101.01826	1.1
101.02409	5.6
105.48501	1.3
107.01398	8.5
111.00877	5.4
113.02431	3.5
123.00902	13.6
124.01661	3.5
125.02453	64.6
126.02773	1.9
127.00361	1.9
128.65541	1.2
130.08745	79.8
131.09059	1.8
136.98810	2.6
137.02409	1.9
139.00383	6.3
140.01187	5.5
141.01953	1.2
151.00357	6.5
163.03990	1.4
167.03539	2.3
168.00577	8.4
168.99979	2.6
169.01422	53.4
170.01776	1.5
177.02057	1.9
183.13866	2.3
209.11804	2.1
210.12282	1.0
227.12810	1.9
306.20709	3.0
369.94507	1.2
468.25739	1.4
486.27072	24.9
487.26804	2.2
507.18622	5.4
525.19574	2.1
614.75610	1.3
638.28162	35.8
639.28735	6.8
790.29272	100.0
791.29474	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.6
59.01368	14.3
61.98830	22.1
66.35306	3.3
71.01371	10.0
71.53344	2.9
78.95897	3.0
80.05079	4.4
82.95400	2.8
85.02954	4.5
85.14195	2.9
85.68776	2.6
88.98828	3.2
89.02455	3.2
94.06611	3.8
96.96015	14.0
104.05099	4.0
106.06622	10.0
108.04588	3.7
111.57124	2.6
112.07629	2.9
113.02464	4.9
116.92864	6.1
120.04592	3.8
121.35925	3.0
122.06161	15.0
124.07668	17.2
124.30090	2.8
125.02429	21.6
134.06100	3.4
136.04010	3.1
137.02423	3.5
148.04062	37.7
150.05547	11.2
151.00331	3.7
161.02463	2.7
165.01904	3.0
166.05103	10.7
167.03401	3.5
168.06731	3.5
168.85408	2.6
169.01398	22.7
170.01741	3.1
171.10197	4.6
177.01967	4.2
181.12181	3.6
191.55815	2.9
197.11852	4.0
201.11357	3.0
206.51851	3.1
207.10315	4.1
209.11800	10.4
210.12027	3.7
215.11752	3.1
224.12624	3.2
225.11337	2.9
231.11327	3.5
235.08542	6.8
236.09438	3.0
237.10252	14.8
239.11784	3.0
241.09763	4.5
243.11357	5.0
249.10245	5.7
251.08107	6.1
251.09424	3.2
251.11900	32.7
252.12050	3.8
253.09512	6.5
255.11333	10.5
263.08279	6.7
264.09006	47.2
265.09399	6.7
273.12369	27.2
277.09842	7.5
279.11365	100.0
280.11639	10.2
281.09329	3.0
281.13007	3.1
291.13589	4.6
295.10849	4.9
297.12439	6.4
305.09311	11.8
307.10931	5.8
307.18915	2.9
317.11282	6.7
321.08942	3.4
323.10275	33.8
324.10681	3.8
325.11996	3.5
327.09738	3.0
335.12552	8.7
341.11346	22.1
342.11551	3.2
566.17548	8.6
579.22302	9.0
597.23792	5.2
599.93561	2.9
623.21613	13.1
624.21356	3.0
637.21167	3.8
641.22357	45.8
642.22974	12.1
659.23560	72.8
660.23694	25.9
673.25360	33.0
674.25134	7.8
691.26227	83.5
692.26733	23.8
707.33417	3.7
789.42493	4.2
790.40704	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	789.322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.98570	0.2
61.98841	1.9
69.43663	1.3
71.01382	0.6
71.72215	0.2
73.02933	0.2
78.95905	12.2
79.95739	3.8
85.02939	0.3
87.00885	0.3
88.98805	0.2
89.02443	0.2
94.98122	0.2
96.96015	100.0
96.96927	13.9
97.95945	0.3
98.20606	0.4
101.02424	0.4
107.16872	0.2
109.44183	0.2
109.51710	0.1
116.92846	0.2
125.02457	0.9
132.81099	0.2
137.02438	0.2
169.01445	0.8
170.01700	0.2
171.10277	0.6
177.01880	0.3
201.11304	0.3
209.11859	0.5
211.13130	0.2
225.11185	0.2
241.07822	0.2
253.09273	0.2
293.21225	0.5
303.04980	0.2
327.21677	0.4
378.85275	0.2
405.95184	0.2
415.14603	0.2
453.09171	1.1
729.28986	0.2
789.42627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37515	10.3
57.64239	9.9
61.98830	100.0
65.08103	10.9
68.91480	10.9
71.01389	19.4
71.52065	11.8
78.95901	81.1
82.32428	10.8
89.02436	19.0
103.75854	11.2
122.19806	14.6
125.02441	71.6
152.99562	22.2
163.45845	10.9
167.03539	17.5
169.01424	33.1
177.02003	17.5
200.06380	12.2
219.27017	11.2
223.13382	21.8
238.27043	11.5
253.09256	19.1
293.74649	11.3
309.20850	22.9
332.49185	10.7
341.23138	15.7
341.47650	12.6
464.22015	14.9
787.42938	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.01405	0.3
78.95924	0.4
79.95747	0.3
80.96523	0.5
97.67078	0.2
104.79141	0.2
117.28624	0.2
126.55971	0.3
143.92442	0.3
175.77454	0.3
200.20753	0.3
206.43976	0.3
229.53363	0.3
246.66518	0.3
277.21906	0.2
279.23083	0.6
293.21259	0.3
318.31888	0.3
418.97171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29701	1.4
59.01389	7.2
60.01736	1.2
67.01884	2.1
67.93306	1.1
69.03444	2.0
71.01375	4.6
79.01871	3.2
81.03419	1.5
85.02946	4.9
95.01401	6.6
96.96019	3.5
97.02918	2.7
98.19832	2.8
100.58296	1.4
107.01369	11.7
108.50022	1.3
109.02959	2.4
111.00881	2.4
113.02409	1.9
121.02971	3.0
123.00896	19.4
124.01711	2.7
125.02448	91.6
126.02782	4.4
137.02409	3.6
139.00377	6.8
140.01175	3.5
147.04555	1.9
151.00363	13.0
151.03996	4.5
153.28729	1.3
158.93292	1.3
161.02385	1.3
163.04007	3.2
166.99937	2.3
167.03502	3.2
168.00584	8.7
169.01421	100.0
170.01759	3.8
175.03947	2.7
177.01874	5.9
179.03468	1.6
181.01422	1.8
184.81511	1.2
193.01355	1.8
193.05013	1.4
207.02939	1.4
211.02451	2.2
243.03085	2.1
279.05106	3.0
281.06543	3.2
297.06155	34.3
298.06357	2.4
315.07227	19.3
316.02057	3.3
449.07303	10.8
467.08401	6.5
479.08328	4.8
485.09048	7.1
619.09222	23.5
620.10126	1.9
636.09570	1.8
637.10291	12.4
788.29553	4.0
789.11487	57.0
789.27429	3.6
790.11743	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	787.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03437	2.5
58.00578	1.2
59.01378	18.5
64.05859	0.8
68.99801	1.4
71.01012	1.0
71.01388	16.9
71.56187	1.5
72.99316	6.1
73.02934	2.7
75.00520	1.1
75.00876	13.5
75.19893	0.8
83.01382	2.7
85.02950	16.1
87.00867	5.4
89.02442	5.0
93.03454	1.0
95.01396	4.3
96.95998	2.0
97.17306	1.0
99.00893	8.4
101.02464	4.4
103.00361	1.1
108.75690	0.9
111.00901	1.4
113.02456	12.2
115.00361	2.6
117.01915	1.4
119.82279	0.9
125.02420	3.4
129.01938	1.7
137.02444	1.6
169.01392	2.1
175.02432	1.8
179.39063	1.0
185.11873	1.5
193.01442	0.8
249.06161	6.1
299.99191	1.3
303.91357	1.0
319.00848	0.8
319.04431	1.3
329.23129	2.0
339.25256	1.1
357.26370	4.4
373.26001	1.1
375.27509	10.9
400.42227	1.0
409.44107	1.1
519.31958	2.0
537.32678	19.2
538.33344	4.1
787.39636	100.0
788.40051	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	787.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
59.01377	6.7
61.98829	72.9
65.00321	1.0
65.05238	0.9
67.01898	1.0
68.99812	1.3
69.03455	3.1
69.43964	1.5
69.44360	5.6
71.01391	7.8
72.99310	3.8
73.02947	1.7
75.00881	2.1
79.01904	0.7
81.03472	1.3
83.01373	2.5
85.02955	3.7
87.00848	2.1
88.98793	0.8
89.02441	1.4
95.01366	4.3
95.11250	0.7
96.96011	6.8
97.02939	3.0
99.00888	1.2
101.02422	1.8
107.01392	13.0
109.02926	1.0
110.00092	1.0
111.00878	8.4
113.02454	3.3
115.00263	1.0
115.04011	1.2
119.05029	6.5
120.39358	0.8
123.00015	0.9
123.00886	12.0
123.04500	1.3
124.01687	5.3
125.02446	89.4
126.02779	2.2
127.00360	3.3
129.01923	1.2
135.04488	1.2
136.05261	1.2
136.98769	4.0
137.02409	1.2
139.00385	9.4
140.01160	14.3
141.01939	0.8
144.47697	0.8
149.02374	1.2
150.03235	5.4
151.00389	5.2
151.03981	2.1
151.07744	0.8
152.01199	1.1
159.02925	1.2
163.03970	1.1
164.04794	0.8
165.05553	4.4
166.99814	1.9
167.03481	1.8
168.00636	24.7
169.01424	100.0
170.01730	3.9
177.01964	2.2
177.04057	9.9
179.03500	1.0
181.04971	1.3
193.04964	0.9
195.06613	3.8
211.02431	2.1
211.56218	0.8
237.04047	1.3
261.14835	1.4
269.13980	0.9
271.04596	1.2
303.12372	1.5
305.13962	8.4
306.13959	0.9
309.08606	1.1
311.04099	1.7
321.13770	0.8
329.05078	6.2
330.05826	0.9
343.11734	1.9
365.92361	0.8
373.25903	1.2
391.14050	4.7
413.14542	2.4
439.19962	1.2
465.17957	1.5
481.06393	8.1
483.18707	28.1
484.18762	3.7
540.20093	0.8
617.18817	1.0
619.25934	0.9
635.19720	41.3
636.19989	7.7
786.42157	1.0
787.20856	74.3
787.33948	3.5
788.21118	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.9
59.01385	10.2
59.80244	1.2
61.98525	2.1
61.98829	28.0
67.01877	2.3
68.99796	1.7
69.03460	2.2
69.30055	11.0
71.01369	7.6
72.99313	2.3
73.02955	2.7
75.00852	2.6
78.95917	1.8
79.01891	2.5
79.95712	1.5
81.03446	2.1
83.01388	1.7
85.02953	5.1
87.00889	2.4
95.01401	8.4
95.04998	1.2
96.96011	15.9
97.02944	5.4
98.95563	1.3
99.00877	3.0
101.02441	3.5
107.01395	18.3
109.02973	1.4
111.00882	6.3
113.02442	4.9
114.05608	1.4
116.92836	5.0
123.00897	25.7
123.04546	1.9
124.01645	4.7
125.02448	96.0
126.02778	3.4
127.00341	1.9
135.04477	1.4
136.98775	4.2
137.02440	1.8
138.03229	2.8
139.00359	12.0
139.04022	1.7
140.01172	9.9
141.01941	3.3
149.02472	2.1
151.00389	11.6
153.01891	1.3
161.02522	1.6
163.03990	2.0
165.01880	1.3
165.05525	1.5
166.99858	3.8
167.03487	2.2
168.00645	16.8
169.01421	95.4
170.01796	3.1
177.01959	2.5
179.03481	1.7
193.01440	1.8
207.02902	1.4
211.02406	4.1
212.08141	1.7
225.27440	1.3
233.16759	1.2
237.04184	1.8
295.04474	1.4
313.05630	6.5
314.06329	1.4
369.14932	1.4
465.17508	4.2
483.18707	35.0
484.19080	5.3
635.19769	77.0
636.19952	13.9
736.40424	1.6
743.38831	1.9
787.20825	100.0
787.32703	4.3
788.21021	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.1
59.01367	5.1
61.98830	13.8
67.01874	2.3
68.15616	1.2
68.99787	1.1
69.03458	2.8
71.01392	6.4
71.53716	1.4
72.99306	2.4
75.00867	4.8
76.44090	1.1
80.96609	1.0
83.01378	1.7
85.02956	3.1
85.75092	1.0
87.00878	1.3
95.01392	3.4
96.96001	13.8
97.02930	3.7
99.00880	1.9
99.37527	1.2
101.02422	2.5
107.01382	10.7
111.00902	8.5
111.38492	1.1
113.02402	1.6
123.00882	15.2
124.01643	7.2
125.02444	78.5
126.02792	3.1
127.00377	1.6
129.01970	1.3
131.15799	1.2
136.01660	1.4
136.98756	3.7
137.02426	2.9
138.03210	1.5
139.00385	10.8
139.03992	1.3
140.01170	11.8
141.01909	1.6
150.03163	3.1
151.00340	4.0
151.03963	1.5
153.09662	1.1
159.02913	1.4
161.02432	1.3
165.01831	2.0
165.05563	4.5
166.02650	1.8
166.99843	4.8
167.03500	2.1
167.99384	1.7
168.00655	21.8
169.01419	100.0
170.01723	6.1
171.01941	1.3
177.01936	2.4
177.04042	9.4
195.06639	3.4
197.71378	1.0
209.00964	1.8
211.02457	5.0
257.53635	1.1
271.04626	1.7
297.06024	2.0
305.13904	5.0
311.04065	5.0
313.05603	3.2
321.02502	1.2
321.21454	1.2
329.05142	6.8
481.06339	5.4
483.12192	1.8
483.18723	16.6
484.18930	1.4
521.52380	1.3
602.98792	1.2
617.18414	1.8
633.06476	1.5
635.19843	33.4
636.20422	6.2
673.21558	1.3
689.20898	1.5
725.24634	1.5
787.20898	73.1
787.33344	3.0
788.21149	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
59.01378	11.1
61.98831	93.6
67.01864	2.6
69.03442	4.1
71.01379	7.6
71.56177	2.0
72.99289	2.2
73.02951	1.8
75.00861	4.2
79.01833	1.5
81.03449	1.4
83.01379	2.6
85.02920	5.1
87.00859	1.7
89.02426	1.6
95.01372	2.8
96.96024	7.2
97.02935	2.4
99.00838	2.1
101.02428	3.1
107.01387	15.0
108.02263	1.4
110.00080	1.7
111.00887	8.3
113.02436	3.8
116.92772	1.1
119.04995	4.7
121.02900	1.6
123.00881	14.7
124.01617	5.2
125.02451	88.5
126.02776	3.4
127.00360	2.4
133.02798	1.2
136.98758	4.7
137.02400	2.5
139.00380	10.4
140.01175	12.7
141.01854	1.4
149.02376	1.9
150.03162	4.3
151.00377	7.7
161.02281	1.2
165.01749	1.4
165.05508	4.5
166.99713	2.1
167.03406	1.5
168.00656	20.7
169.01425	100.0
170.01704	4.0
175.03932	1.4
177.01906	1.8
177.03976	5.2
183.10175	1.4
195.06607	2.6
211.02469	2.0
271.04626	1.7
305.14035	6.2
313.05695	1.6
329.04944	4.7
340.82770	1.1
343.11795	1.6
391.13885	3.7
413.14575	2.2
465.17056	2.8
481.06180	5.1
483.18738	34.7
483.25793	2.2
484.19397	5.8
508.17075	1.7
525.33850	1.4
530.63019	1.4
635.19800	92.6
636.20117	17.9
787.20667	50.6
787.32983	2.8
788.20654	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	787.1001
Annotation	1,2,3,4-Tetragalloyl-alpha-D-glucose
Peak:m/z	Relative Intensity
58.44437	0.6
58.44742	0.5
59.01378	2.1
64.33609	0.5
67.01900	1.1
69.03465	1.6
71.01373	3.0
71.23302	0.8
72.99302	0.8
74.02490	1.5
74.31644	0.5
79.01895	1.4
81.03471	0.9
83.01375	1.1
85.02972	1.8
87.00874	0.8
95.01385	3.2
96.96017	0.6
97.02953	2.1
98.02423	0.5
99.00877	0.6
101.02469	1.0
107.01390	7.9
109.02960	1.5
111.00887	1.9
113.02443	1.9
121.02921	0.7
123.00877	9.0
124.01681	2.2
125.02448	74.3
126.02773	2.5
127.00368	0.7
127.98033	0.5
136.98853	0.6
137.02443	1.6
139.00371	3.4
139.04077	0.5
140.01149	3.2
141.01953	0.7
143.03535	2.5
149.02432	1.0
151.00369	5.1
153.01959	0.6
161.02472	1.0
163.04024	0.9
165.01923	0.8
166.99910	2.1
167.03487	1.4
168.00667	5.0
169.01422	100.0
170.01761	4.6
174.09286	0.5
177.01962	2.1
179.03520	1.1
183.02919	0.7
189.01898	0.6
191.03535	0.9
193.01411	3.4
203.08249	1.5
205.01402	1.3
207.02969	0.8
211.02470	5.6
223.02504	0.8
233.04552	0.8
235.02695	0.8
237.03964	0.6
241.03677	1.1
243.02989	0.7
245.09290	4.3
253.03571	1.0
271.02264	0.5
271.04645	4.0
295.04617	3.7
297.06100	2.3
313.05615	15.4
314.05969	1.5
331.06744	0.9
423.05789	1.1
444.15750	0.5
447.05469	0.9
449.07257	2.1
461.07578	1.0
465.06683	8.6
466.06903	0.9
483.07800	4.8
496.15152	0.6
497.13455	2.9
617.07813	48.1
618.08118	9.2
635.08862	49.3
636.09070	8.5
775.05139	0.6
787.09320	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
59.01374	1.8
62.77857	0.3
66.78574	0.4
69.03465	1.5
69.70244	2.3
71.01380	1.1
73.02953	0.4
75.00866	0.6
81.03462	1.2
83.01375	1.0
85.02963	1.4
93.03461	0.5
95.01398	1.5
95.05016	0.4
96.96005	0.8
97.02934	1.2
98.20576	0.7
99.00913	0.7
101.02454	0.5
105.03475	0.4
107.01384	1.3
109.02930	0.6
111.00843	0.4
111.11705	0.4
113.02474	1.3
121.02926	0.5
123.00892	1.6
124.01683	1.0
125.02448	60.4
126.02783	1.7
132.09305	0.5
137.02446	1.5
139.04007	0.7
149.02495	0.5
151.00375	1.1
161.02437	3.1
164.01097	0.5
165.01910	1.1
166.99925	0.4
167.03511	1.9
168.00644	0.6
169.01430	100.0
170.01765	3.5
175.02580	0.5
175.04022	0.4
177.01956	1.0
177.05614	0.8
178.99910	0.6
179.03499	0.7
193.01422	2.2
203.03392	0.3
211.02493	0.9
217.12315	0.4
219.06596	0.5
221.04575	0.7
249.06194	0.4
259.02411	0.5
269.04581	0.6
271.02332	1.5
287.01950	1.1
287.05594	1.3
305.06644	4.4
306.07141	0.7
313.05536	2.3
316.02289	3.5
317.02902	1.1
319.04697	0.7
331.04501	0.9
415.10275	0.4
457.07721	6.9
457.13544	0.6
458.08206	1.1
465.06818	0.7
483.07626	1.7
615.81415	0.4
617.07745	1.8
625.13885	3.6
626.14856	0.7
635.08813	6.9
636.09363	1.2
787.29144	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	786.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
61.98832	100.0
68.99582	0.9
71.01387	1.1
71.52508	0.9
78.95911	2.1
79.95751	0.7
80.96532	2.8
83.89586	0.6
85.02964	0.8
107.65439	0.6
112.98602	0.7
116.92841	3.3
117.92881	1.5
148.99181	0.7
152.99666	1.1
171.10254	0.7
173.20921	0.7
183.13919	8.9
209.11870	0.9
225.00816	1.2
275.20209	1.0
277.21719	12.8
278.22174	1.8
279.23300	1.1
318.52164	0.7
625.09045	0.7
723.43152	20.4
724.43225	5.3
786.49261	2.0
787.38922	3.5
792.86505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63333	0.6
59.01377	1.3
60.71974	0.6
61.85327	0.7
61.98832	100.0
69.50352	3.2
69.50765	1.5
69.95941	0.6
71.01404	1.4
72.33245	0.7
75.33848	0.7
78.95905	3.2
80.96521	3.2
85.02928	1.1
89.02457	0.9
94.98100	0.7
98.20707	1.4
101.02467	0.9
116.49635	0.7
116.92888	0.8
124.46311	0.7
133.72696	0.6
152.99585	1.4
155.57396	0.6
169.40608	0.7
171.10274	1.9
183.13908	19.5
184.14301	1.7
211.13396	0.8
227.12997	1.4
253.09271	1.2
275.20163	1.2
277.21719	6.6
278.21985	0.8
279.23364	0.8
293.21295	1.6
327.21881	3.2
439.89160	0.8
723.43243	20.4
723.55621	1.3
724.43298	5.0
786.49579	4.9
787.38043	3.4
787.52057	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	787.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67607	3.4
55.63730	3.7
59.01391	20.6
59.87217	4.1
60.55184	3.3
61.98817	13.6
65.00307	3.5
71.01376	11.9
71.04749	3.1
71.54450	3.2
71.54893	6.2
72.99306	5.6
73.02945	4.4
75.00835	3.8
80.15315	3.5
83.01348	4.3
84.85499	3.9
85.02950	6.7
87.00860	4.2
96.96015	35.8
101.02408	5.2
107.01424	8.9
109.02969	4.4
111.00912	6.1
113.02455	6.7
123.00879	13.0
125.02442	80.4
126.02807	5.0
130.97226	3.3
137.02429	7.6
139.04005	6.6
140.01123	7.7
151.00334	12.1
152.01144	3.6
159.63629	3.3
161.02422	10.5
168.00638	8.9
169.01425	100.0
170.01758	12.1
171.01840	4.4
177.01988	7.1
177.03989	4.3
178.99788	6.3
180.38426	3.4
217.01512	3.8
236.67467	3.3
255.03058	7.8
264.01678	4.1
283.02515	7.4
301.07544	5.6
302.07474	5.4
317.03140	21.3
349.81870	3.7
367.30557	4.3
446.08685	4.8
449.06976	10.6
459.05859	4.8
483.18695	21.7
635.19891	60.5
636.19977	7.1
751.11810	6.3
787.20715	9.5
787.34949	8.4
798.13910	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	785.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.1
59.01108	2.2
59.01381	37.6
61.98838	11.4
69.03463	2.0
71.01383	35.5
71.55063	1.6
71.55581	2.3
72.99284	3.5
73.02951	3.9
81.03463	3.4
83.01392	3.5
83.05016	2.3
85.02942	8.5
87.00887	7.5
89.02451	24.1
93.88498	1.5
95.01385	2.4
97.02934	4.1
99.00869	1.6
101.02443	19.5
109.02959	2.0
109.06556	2.5
113.02439	9.8
118.02074	1.5
119.03481	4.8
125.02474	11.1
137.02437	1.8
141.01993	1.9
143.03462	1.9
148.48090	1.3
161.04501	3.5
169.01363	3.6
177.01917	1.6
179.05659	8.5
181.12395	1.4
197.11832	2.8
209.11868	10.6
211.13361	3.5
221.06616	3.5
227.12836	2.1
235.08200	2.3
239.16507	2.7
241.18073	2.1
253.09209	1.6
263.07809	2.3
275.16507	3.0
289.18256	2.4
307.19110	3.4
315.26868	1.7
325.25266	4.7
343.26291	6.3
351.23267	2.5
359.25925	5.7
361.27417	3.1
369.24326	6.8
387.25378	19.2
388.25342	3.4
397.13507	10.9
405.26453	35.9
406.26785	4.7
479.30630	1.9
526.59180	1.6
628.65472	1.9
767.39032	2.8
785.39655	100.0
786.40070	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	786.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04858	0.2
58.13092	0.2
59.01379	0.8
61.98830	100.0
65.70621	0.2
71.01391	0.3
71.54188	0.2
71.54655	0.3
73.02941	0.2
75.00899	0.2
78.95897	0.2
85.02951	0.2
86.03339	0.2
95.01391	0.2
96.96005	0.9
101.02445	0.2
111.68252	0.2
113.02477	0.3
116.92941	0.2
117.09582	0.1
125.02438	1.4
126.08369	0.2
166.37831	0.2
169.01437	1.2
171.10283	0.3
177.01913	0.3
207.10236	0.2
209.11887	0.5
273.98090	0.2
301.03586	0.2
305.06619	0.2
383.97095	0.2
437.17648	0.2
703.26746	0.2
777.51703	0.2
786.43982	0.2
787.40765	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37180	0.8
61.98818	5.8
71.01392	0.8
71.16969	1.4
71.20098	0.7
72.50499	0.7
78.95908	1.5
80.38003	0.8
86.94379	0.8
93.03455	1.0
99.03410	0.7
102.48062	0.7
105.01942	2.4
108.90200	1.8
121.02956	100.0
122.03297	4.1
154.50140	0.8
165.01923	2.7
169.01369	1.3
181.06593	2.4
191.03471	1.8
209.04539	68.1
209.11873	1.5
210.04875	3.4
225.05626	1.4
246.25842	0.8
293.21243	1.1
313.07230	5.1
357.06223	2.0
401.08722	9.8
785.18262	1.1
785.42261	1.3
786.16516	1.1
804.94031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
57.03448	3.5
58.00578	1.5
59.01381	22.9
64.57214	0.7
67.01896	0.8
68.99813	0.8
69.03490	0.7
70.51109	2.4
71.01009	1.2
71.01379	18.1
72.99303	7.1
73.02933	3.2
75.00868	12.5
81.84223	0.7
83.01373	3.1
85.02953	16.8
87.00874	4.6
88.47933	0.8
89.02443	6.6
95.01389	3.8
96.96000	1.8
99.00885	9.3
101.02454	4.1
101.35413	0.8
103.00340	1.5
107.01401	0.8
109.02905	0.9
111.00849	1.0
113.02451	13.2
115.00330	2.0
117.01865	1.4
119.03507	1.3
123.00899	1.1
123.04543	1.0
125.02449	8.4
129.01970	1.1
151.00340	1.1
157.12399	1.0
161.02342	1.1
167.03474	2.3
169.01443	7.5
170.01773	1.3
170.18289	0.7
175.02486	1.4
177.01891	1.0
185.11812	2.3
215.12846	5.0
215.14635	0.9
249.06142	7.1
250.06473	0.9
267.07159	1.2
290.47849	0.9
313.05670	1.3
343.24994	1.3
355.24850	7.5
364.19589	0.8
373.25952	9.7
374.25861	1.4
375.27209	0.9
517.29913	0.9
534.13989	1.1
535.31232	14.5
536.31445	2.7
537.32373	1.3
579.33765	2.2
617.07715	0.8
633.11133	3.3
634.11121	0.8
741.39026	1.4
785.38049	100.0
786.38428	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03438	3.5
57.62291	0.9
59.01376	22.4
61.98818	1.0
63.68109	0.9
68.99801	1.8
69.03451	1.6
71.01379	19.5
71.61921	0.9
72.75374	0.9
72.99307	5.9
73.02940	3.9
75.00867	13.5
80.49641	0.8
81.03434	1.1
81.07823	0.9
83.01379	2.9
85.02954	15.7
87.00864	5.5
89.02459	4.9
91.97473	1.1
95.01376	4.5
96.95997	1.2
99.00880	8.4
101.02451	4.3
106.51681	1.1
107.01377	1.3
111.00900	1.3
113.02441	15.2
115.00372	1.3
117.01946	1.8
123.00915	1.2
123.04485	1.8
125.02450	12.3
127.71765	1.0
129.01949	1.2
149.78471	0.8
152.01089	1.5
167.03465	2.5
169.01392	11.8
175.02483	1.5
177.01868	2.3
185.11804	1.7
202.89049	1.1
215.12830	4.0
240.29025	1.0
249.06171	5.6
267.07181	1.1
293.32184	0.9
343.24893	2.3
355.24707	7.2
373.25980	9.9
374.26187	1.2
535.31097	15.8
536.31537	2.8
579.33643	1.8
617.07983	1.6
633.10895	2.9
634.12360	1.1
656.96777	1.0
722.60315	1.0
749.01483	1.2
767.36353	1.0
785.38043	100.0
786.24255	1.9
786.38416	25.8
812.83527	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37798	0.8
59.01365	2.9
61.98819	1.8
64.76499	0.6
66.47207	0.6
69.03447	2.0
71.01390	1.4
75.00851	0.8
81.32388	0.7
85.02925	1.4
85.83912	0.7
95.00526	0.6
95.01381	1.4
96.95988	1.5
97.02949	1.6
98.20687	1.0
105.03454	1.7
108.02158	1.2
109.02980	3.4
112.66802	0.6
113.02454	1.1
123.00899	1.9
124.01659	1.9
125.02446	47.6
126.02798	1.6
133.02956	1.6
137.02441	1.4
139.03963	1.1
149.06168	0.7
154.98314	0.7
161.02446	14.9
167.03496	2.4
169.01422	100.0
170.01735	3.7
171.01868	0.8
175.03967	0.7
177.01915	11.4
178.99957	0.9
189.01924	4.6
193.01439	2.1
215.12587	0.7
216.00618	1.3
217.01418	8.1
258.05322	1.5
259.06113	2.5
273.54413	0.7
285.04123	1.3
286.04779	1.0
299.05728	1.1
301.07184	13.7
302.07455	1.2
305.06802	0.9
313.07330	0.9
317.03033	1.2
319.04614	0.8
321.02417	8.4
322.02933	1.0
339.05252	1.1
341.06693	3.0
357.06119	3.9
463.10315	10.6
464.10989	1.0
481.11414	10.1
482.11774	1.3
507.08990	2.1
615.12170	0.9
633.12317	7.2
634.13007	1.4
785.41150	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	785.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
57.03446	20.0
59.01394	2.5
67.01876	1.7
69.26774	2.2
69.27179	6.6
69.27535	1.0
71.01391	5.4
72.99326	2.0
73.02946	2.5
83.01382	10.5
84.02166	3.1
85.02952	100.0
86.03290	2.3
95.01352	1.2
95.78532	1.0
96.96020	2.3
97.02966	1.2
101.02433	4.6
103.81828	1.1
111.00880	25.5
121.02946	14.3
123.00867	1.6
125.02445	37.3
126.02821	1.7
129.01947	60.6
130.02260	2.2
137.02403	4.1
139.03972	2.4
149.02412	2.1
161.02448	1.3
161.04543	4.6
164.01199	1.9
165.01952	3.0
167.03462	5.2
169.01421	48.7
170.01756	2.6
175.00410	2.2
177.01938	5.6
179.03596	2.3
187.02460	3.4
193.01433	2.5
193.12326	1.8
205.03525	32.5
211.02484	2.2
219.06828	1.5
233.91631	1.0
248.74762	1.1
301.03366	1.8
305.06680	14.6
309.06204	1.5
327.07199	42.7
328.07452	4.0
457.07748	10.5
458.08530	1.3
483.08060	2.2
507.94357	1.0
557.84998	1.0
633.10925	2.5
663.20160	2.3
785.13007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14366	0.1
59.01373	0.3
59.93686	0.1
61.86273	0.1
61.98829	100.0
62.98526	0.2
78.95909	0.2
80.96527	0.5
94.98098	0.2
138.68727	0.1
183.52834	0.1
196.75616	0.1
199.13249	0.1
202.87886	0.1
203.23956	0.1
205.94560	0.1
207.10159	0.2
209.11819	0.6
210.12175	0.2
211.13405	0.1
225.00665	0.2
226.11522	0.1
227.12975	0.2
277.21716	0.8
278.22086	0.3
372.37137	0.1
378.79877	0.1
501.85550	0.1
566.34509	0.1
641.48627	0.1
784.41864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01370	1.5
61.98827	0.8
67.01883	0.4
69.03462	1.8
71.01380	1.0
71.20988	0.7
75.00872	0.6
78.80314	0.2
81.03461	0.7
83.01403	0.4
85.03006	0.5
87.00938	0.3
95.01397	1.3
95.05041	0.3
96.96006	1.1
97.02965	1.2
97.34875	0.3
99.00867	0.3
101.02442	0.3
105.03482	0.9
105.06861	0.3
107.01396	0.9
108.02161	1.5
109.02975	2.2
111.04539	0.5
113.02473	0.8
121.02959	0.5
123.00880	1.7
123.04555	0.5
124.01649	1.0
124.60101	0.3
125.02447	51.7
125.41422	0.4
126.02785	2.0
131.44710	0.2
133.02930	0.9
134.03694	0.3
137.02460	0.8
139.00327	0.3
139.04050	1.4
140.01181	0.2
145.02930	0.4
150.03253	0.5
151.00394	1.3
151.03896	0.4
152.01102	1.2
160.01752	0.3
161.02443	7.9
163.03947	0.3
164.01219	0.4
165.01918	0.6
165.05614	0.3
166.99913	0.6
167.03510	2.4
168.00578	0.4
169.01422	100.0
170.01762	3.8
171.01811	0.3
175.03981	0.6
177.01923	6.8
178.99876	0.4
179.03560	0.4
180.04326	0.4
189.01953	3.1
190.65402	0.3
191.03520	0.3
193.01387	2.5
195.06644	0.3
203.03343	0.4
216.00569	0.7
216.04240	0.3
217.01387	5.1
218.01765	0.5
219.02866	0.4
231.02890	0.5
243.02930	0.5
244.03781	0.8
258.05383	0.3
259.06055	2.0
266.05899	0.3
269.04343	0.3
270.38382	0.2
281.04407	0.3
285.03989	1.1
286.04559	0.9
287.05246	0.4
295.06198	0.4
301.03696	0.5
301.07138	7.7
302.07486	0.7
305.06720	0.7
313.07065	0.5
317.02924	0.4
318.03430	0.7
319.04248	0.9
321.02478	11.1
322.02823	0.8
339.05194	0.5
341.06552	3.2
357.06204	2.7
371.07849	0.4
447.11237	0.3
463.10367	5.9
464.10544	0.6
481.11404	6.2
482.11615	1.1
507.09042	1.5
633.12439	5.6
634.12708	0.9
636.23663	0.3
741.36664	0.3
785.11597	2.6
785.27344	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	783.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.2
59.01377	11.1
59.37376	0.9
61.98837	1.5
65.00323	1.4
67.26373	0.9
69.53144	0.8
71.01388	6.7
72.67558	0.9
72.99311	1.4
73.02943	2.2
75.00885	2.6
82.78864	1.1
83.01369	1.5
85.02942	3.5
86.58455	0.9
87.00877	1.5
89.02438	3.9
89.36198	0.9
95.01378	1.1
96.95988	2.3
98.20645	1.9
99.00843	1.6
101.02438	2.7
107.01407	4.9
109.02940	2.5
111.00857	1.8
112.12538	0.9
113.02459	5.1
119.05083	1.0
120.54304	0.9
123.00880	2.6
124.01656	1.6
125.02453	15.3
126.02746	1.0
130.88724	0.8
136.98854	1.4
137.02440	6.2
139.00365	3.7
140.01161	3.2
151.00348	9.0
152.01125	1.2
161.03459	1.1
165.01878	1.4
168.00633	4.4
169.01408	16.1
170.01711	1.2
177.01964	1.1
178.99854	8.3
180.49200	0.9
183.02977	100.0
184.03351	5.0
203.03476	1.3
243.03001	2.0
249.06102	2.1
271.02393	4.5
273.04193	1.3
287.01935	2.4
299.01947	0.9
300.02722	1.0
305.06671	1.0
313.05518	2.8
316.02203	13.6
317.03018	19.4
318.03296	1.4
324.53781	0.9
335.04077	17.9
335.11282	0.8
336.04517	1.7
369.52759	0.8
465.06650	2.8
479.08224	9.1
494.24881	1.1
577.31396	1.2
580.23309	1.0
631.09369	13.9
632.09668	1.9
679.35553	1.7
697.36029	1.3
782.26874	1.3
783.10443	10.1
783.28033	3.8
784.10669	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	783.3658
Annotation	Ancistrogriffithine A
Peak:m/z	Relative Intensity
55.01881	1.3
57.03443	4.2
58.00591	1.1
59.01107	1.8
59.01382	26.0
61.98841	0.9
69.03447	1.7
69.19317	8.4
69.19727	2.1
71.01380	24.4
72.01689	0.9
72.99317	7.1
73.02594	0.8
73.02937	5.4
74.29131	1.0
75.00879	14.7
81.03463	1.1
83.01389	2.8
85.02950	20.5
89.02438	7.4
95.01411	5.3
96.96038	2.0
97.02975	1.1
99.00885	10.0
101.02451	6.4
102.98569	1.1
103.00330	1.6
107.01395	1.0
111.00921	1.8
111.04497	1.0
113.02457	15.6
115.00379	2.0
117.01945	1.7
125.02452	7.4
125.09734	2.2
137.02419	1.5
141.09117	1.0
151.00407	1.9
159.91368	0.9
167.03517	1.3
169.01390	8.5
170.01820	1.0
171.10271	3.5
175.02530	2.3
178.51833	1.1
185.11824	2.4
209.54370	1.0
217.47821	1.1
220.10873	0.9
249.06110	6.0
259.02432	1.1
267.06967	1.4
271.02475	1.5
287.02213	1.2
316.02197	4.1
317.02997	3.0
341.23352	1.9
353.23239	4.1
355.24973	1.9
371.24393	11.2
373.25854	1.8
515.28827	1.7
532.25000	1.1
533.29620	14.0
534.30017	2.2
535.31140	12.6
536.31439	1.2
577.32446	4.2
631.09418	3.0
632.10748	1.1
739.37616	9.6
740.38220	2.1
749.70502	1.2
765.35297	1.7
783.12872	2.4
783.36591	100.0
784.37000	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
59.01376	4.1
63.02389	2.0
65.00327	5.8
67.01894	1.3
69.03490	1.4
69.47277	4.6
69.47697	4.5
71.01389	6.1
81.03466	1.8
83.01402	6.0
85.02941	4.6
95.01390	5.3
97.02949	3.3
101.02428	2.0
107.01396	17.0
109.02953	7.7
111.00867	4.0
113.02453	5.7
119.05056	1.3
123.00889	12.4
124.01671	2.9
125.02450	58.8
126.02789	1.6
127.00400	1.4
131.72885	1.2
136.98845	1.8
137.02455	17.5
139.00371	7.1
140.01112	5.2
141.01949	1.7
143.03474	1.9
149.02408	1.3
151.00372	36.4
161.02440	1.7
162.52695	1.1
163.00313	2.4
165.01898	2.2
166.99852	3.7
168.00665	7.2
169.01433	75.4
170.01765	2.5
178.99872	20.6
179.03391	1.3
180.00186	1.9
183.02992	6.9
191.03517	1.6
192.00584	1.5
193.01384	5.2
195.32640	1.2
206.45428	1.2
211.00705	1.4
211.02393	7.0
217.12346	4.3
221.67845	1.1
223.02451	1.5
228.14807	1.3
235.13403	1.6
242.02185	2.0
243.02974	2.9
253.03586	1.3
270.01697	1.4
271.02466	9.7
287.01999	6.9
291.20880	1.3
295.04639	5.3
297.06082	2.0
313.05670	28.1
314.06030	2.3
316.02240	19.7
317.03009	60.5
318.03424	6.2
333.02576	2.5
429.09744	1.2
449.07043	2.7
465.06717	100.0
466.06979	12.3
469.75629	1.2
479.08252	2.2
520.49182	1.3
631.09326	18.2
632.09601	4.0
772.11389	1.4
775.85449	1.7
783.10706	25.4
783.26331	1.8
784.11310	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	781.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.9
59.01364	9.4
61.98814	15.5
71.01400	12.0
72.99296	5.9
75.00862	15.0
79.95724	2.1
80.96504	2.4
85.02937	19.2
86.28802	2.0
87.00854	5.9
89.02447	2.1
95.01374	6.0
98.19865	6.4
99.00890	10.6
113.02458	21.3
175.02455	4.9
195.14005	3.3
255.23274	64.5
256.23587	5.2
275.20145	2.6
293.21243	11.3
350.82883	2.2
390.61166	2.1
420.94687	2.2
437.71371	2.1
505.30264	3.0
781.51099	100.0
781.65607	4.9
782.51453	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	782.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	0.3
61.52003	0.2
61.98829	100.0
69.87582	1.1
73.10345	0.2
78.95896	1.0
79.95753	0.4
80.96510	2.7
85.31196	0.2
94.98093	0.5
110.12366	0.2
125.02495	0.3
141.34473	0.2
148.99184	0.3
152.99663	0.4
157.58618	0.2
164.98679	0.5
197.11996	0.2
223.13434	0.2
225.00793	0.6
246.54369	0.2
277.21765	0.5
278.22269	0.2
287.16815	0.3
359.09714	0.2
428.57404	0.2
736.50366	0.2
765.40851	0.3
782.40686	2.1
783.41431	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	2.7
65.00333	4.1
66.00587	1.0
70.59167	1.9
70.59505	1.6
73.56656	1.2
83.01393	3.9
101.02419	1.3
107.01386	11.4
109.02961	7.5
111.00886	1.3
117.58935	1.2
123.00896	4.0
124.01659	1.9
125.02444	21.6
126.02744	1.5
137.02457	21.9
139.00391	1.8
140.01094	1.3
151.00366	39.9
152.00760	1.6
160.56764	1.1
163.00406	1.9
163.11267	1.4
163.56122	1.1
164.01164	2.1
165.01924	3.2
167.03453	1.6
168.00623	2.1
169.01425	21.7
178.99855	30.0
183.02914	1.7
187.04002	1.6
190.99933	1.2
191.41824	1.2
192.00742	2.8
193.01414	2.9
203.03516	1.5
208.19254	1.4
211.02495	1.4
214.02690	3.3
221.04362	1.7
235.13438	1.6
242.02328	1.8
243.02971	3.8
259.02451	3.3
268.78375	1.1
270.01727	4.0
271.02429	22.8
272.02750	2.3
287.01974	10.7
288.02606	1.7
299.02045	2.2
302.46609	1.1
313.05682	5.2
315.01584	1.9
316.02231	45.0
317.02985	100.0
318.03308	7.4
411.69818	1.1
465.06683	11.5
479.08206	6.2
631.09442	52.8
632.09845	10.5
783.10400	34.0
783.25073	1.6
784.11115	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	781.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68827	0.8
59.01379	14.6
61.98827	11.5
68.18446	0.8
68.99567	1.2
71.01376	4.4
71.05025	1.1
71.52386	1.1
78.95902	3.2
79.95745	1.3
80.96513	8.9
85.02941	1.8
87.00868	1.4
87.10085	1.0
87.67883	0.8
89.02440	2.6
93.73111	0.8
94.98077	1.5
97.02941	3.6
99.00863	7.8
101.02445	2.3
111.69752	1.0
113.02497	0.9
117.89129	0.9
125.02424	2.0
125.09734	2.9
136.05290	1.2
142.02702	1.9
161.04523	1.1
163.11287	3.8
164.98648	1.7
181.12349	10.6
207.10236	25.3
208.10600	1.5
209.11861	1.0
225.00584	1.9
225.11307	58.1
226.11679	4.4
235.08156	3.8
243.12433	6.0
253.09322	3.5
277.21701	100.0
278.22064	10.7
334.49216	1.0
443.19229	5.2
461.20181	6.9
721.41693	20.8
722.41595	4.9
729.27777	0.9
781.40253	9.4
782.41193	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4414
Annotation	lugdunin
Peak:m/z	Relative Intensity
61.60518	3.7
61.98820	18.2
62.93881	4.0
69.98679	4.1
70.80230	4.4
71.01376	13.1
78.98576	4.6
79.95731	16.8
80.96521	70.6
94.98085	23.0
98.27062	4.7
113.42577	4.6
120.73164	4.4
122.97574	7.2
134.97647	4.1
164.98604	13.4
225.00620	13.4
229.65884	4.6
255.23218	4.6
328.51245	5.1
331.29990	4.7
353.66599	5.2
535.82574	5.6
781.44055	100.0
782.44312	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	781.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
61.98832	3.0
70.46316	0.2
71.53754	0.3
72.00947	0.4
72.99306	8.6
73.47459	0.2
75.00869	3.7
75.60636	0.2
80.03556	0.2
87.00885	0.8
95.72272	0.2
96.02669	0.2
103.00377	1.9
104.03539	0.8
105.01930	100.0
106.02268	1.5
116.35465	0.2
206.50482	0.3
293.16882	0.2
390.08514	0.2
426.07013	0.2
447.05609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.6
61.98818	1.8
66.09329	0.4
71.01380	0.4
71.55134	0.6
71.55527	0.6
72.99308	7.3
75.00875	4.9
87.00866	0.9
100.11987	0.4
103.00403	2.1
104.03553	0.9
105.01934	100.0
106.02274	1.8
115.66504	0.4
115.96864	0.4
116.56033	0.4
125.02427	1.4
169.01456	1.0
263.63904	0.4
265.37024	0.5
269.35641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68827	0.8
59.01379	14.6
61.98827	11.5
68.18446	0.8
68.99567	1.2
71.01376	4.4
71.05025	1.1
71.52386	1.1
78.95902	3.2
79.95745	1.3
80.96513	8.9
85.02941	1.8
87.00868	1.4
87.10085	1.0
87.67883	0.8
89.02440	2.6
93.73111	0.8
94.98077	1.5
97.02941	3.6
99.00863	7.8
101.02445	2.3
111.69752	1.0
113.02497	0.9
117.89129	0.9
125.02424	2.0
125.09734	2.9
136.05290	1.2
142.02702	1.9
161.04523	1.1
163.11287	3.8
164.98648	1.7
181.12349	10.6
207.10236	25.3
208.10600	1.5
209.11861	1.0
225.00584	1.9
225.11307	58.1
226.11679	4.4
235.08156	3.8
243.12433	6.0
253.09322	3.5
277.21701	100.0
278.22064	10.7
334.49216	1.0
443.19229	5.2
461.20181	6.9
721.41693	20.8
722.41595	4.9
729.27777	0.9
781.40253	9.4
782.41193	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.5
60.99305	16.1
61.98827	4.0
65.97932	0.3
69.20903	3.2
71.01381	1.5
72.56772	0.4
82.15943	0.4
85.02924	0.4
86.50420	0.3
87.00849	0.9
88.00403	1.0
88.98802	100.0
89.02440	6.6
89.99138	1.3
93.07338	0.4
101.02457	1.0
111.04504	0.5
113.02472	0.4
123.00913	0.4
125.02470	2.4
169.01398	1.5
178.62375	0.4
186.61031	0.4
243.02873	0.4
291.19876	0.6
293.21198	1.1
323.22253	3.6
374.75562	0.5
397.13400	2.8
415.14578	2.1
446.28546	0.4
693.34473	0.4
734.39380	0.5
735.18512	0.4
781.33960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27855	0.3
57.26906	0.4
59.01385	0.9
60.78048	0.4
60.99307	18.0
61.98827	2.6
71.01373	0.7
72.99322	0.5
85.02960	0.4
87.00873	0.6
88.00401	1.6
88.98807	100.0
89.02441	6.3
89.99148	1.3
98.20593	0.7
101.02457	0.6
102.53254	0.3
103.03694	0.3
125.02430	1.8
134.82079	0.3
169.01453	1.3
177.01904	0.4
293.21262	1.2
323.22263	1.2
325.70370	0.3
325.74829	0.3
360.07513	0.3
397.13562	1.4
415.14603	0.8
417.68036	0.4
700.81757	0.4
781.42358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08812	1.2
59.01381	22.1
61.98826	6.2
63.20898	1.3
63.25344	1.1
66.78428	1.2
69.93115	2.5
69.93509	2.7
71.01388	4.1
78.95882	3.0
79.17343	1.2
80.96532	2.5
84.70776	1.1
87.48476	1.2
89.02448	2.2
98.20684	1.3
101.02429	3.1
102.28504	1.1
113.02463	1.7
116.92883	1.3
161.04596	2.3
167.10770	1.9
177.12825	1.4
179.14439	1.8
195.13895	7.7
205.12398	7.0
205.13998	1.3
223.13385	78.4
224.13800	5.8
225.11267	1.6
235.08157	6.3
251.20229	2.9
253.09221	7.5
277.21707	100.0
278.22061	9.4
309.20587	1.6
320.45578	1.2
362.39105	1.3
441.21201	2.0
459.22195	6.3
460.22476	2.0
513.30341	1.7
549.38690	1.3
705.04761	1.2
768.64001	1.4
779.39337	6.5
780.41077	1.8
798.03632	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
59.01378	8.7
61.98837	5.6
65.00318	1.8
67.01900	1.7
69.03447	2.0
71.01385	5.9
71.23223	1.9
72.99330	1.4
73.02944	1.3
74.15200	0.9
75.00878	2.7
79.01883	1.8
83.01392	2.7
85.02959	3.5
86.80035	1.0
87.00875	1.9
89.02442	1.9
95.01378	6.1
96.96016	3.3
97.02952	2.1
99.00909	2.0
99.04531	1.2
99.21492	0.9
101.02421	1.9
107.01405	6.4
109.02969	1.3
111.00863	1.6
113.02435	2.4
116.92892	1.3
119.05016	1.8
121.02963	1.6
123.00888	16.3
123.04568	1.2
124.01685	3.3
125.02450	71.6
126.02788	3.0
135.04530	1.5
137.02423	2.5
139.00397	4.2
140.01138	3.1
149.02449	1.4
150.03204	1.6
151.00372	5.3
151.04044	2.6
152.00958	1.7
161.02461	1.4
163.04071	1.2
165.01930	1.6
165.05466	1.4
166.99821	9.6
167.03499	1.9
168.00671	4.0
169.01425	100.0
170.01793	4.1
177.01965	2.7
178.99837	3.7
191.03401	1.2
195.03069	1.9
195.06728	1.4
214.02698	1.2
243.02855	1.2
259.02380	1.8
271.02460	4.0
279.05121	2.8
281.06659	4.2
287.02023	3.2
297.06104	3.3
301.03574	1.3
305.06570	1.1
316.02316	5.0
317.02902	3.1
327.25418	4.5
329.99823	1.1
330.03723	2.0
331.04605	10.3
344.03745	1.2
357.26324	2.1
359.73212	1.2
371.24326	3.5
373.12848	1.1
449.07242	64.6
450.07513	9.7
533.29102	1.1
629.11530	2.3
737.35938	3.6
781.12988	7.4
781.25256	1.5
781.37451	3.1
782.13898	1.4
806.59094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.3
59.01374	1.1
61.98840	0.3
63.02389	1.9
65.00316	3.8
66.96097	0.3
68.41041	0.3
70.59948	0.4
71.01360	0.9
72.99283	0.3
78.26259	0.3
78.95905	0.4
79.95731	0.5
83.01386	3.4
85.02979	0.5
95.01449	0.4
96.95376	0.5
96.96011	10.7
96.96956	0.8
98.19818	0.8
98.95604	0.9
99.00864	0.5
107.01385	9.4
109.02946	5.6
110.03297	0.6
113.02438	0.4
123.00876	0.7
124.01645	0.5
124.23627	0.3
125.02437	4.9
126.22440	0.3
137.02438	19.5
138.02794	0.8
151.00362	37.8
152.00772	1.0
161.02359	0.4
163.00348	2.0
164.01155	1.0
165.01910	1.2
167.03445	0.4
169.01445	5.3
171.36668	0.4
177.01942	0.4
178.99849	27.8
180.00134	1.7
183.04530	0.4
190.99802	0.7
192.00584	1.8
193.01384	2.2
195.06476	0.3
214.02725	0.5
215.03511	0.5
219.02983	0.4
227.03392	1.6
242.02164	0.5
243.02895	1.3
245.04518	1.0
255.03029	0.6
259.02472	0.5
271.02448	4.2
272.03229	0.4
287.01929	1.1
289.03494	0.6
297.05881	0.7
299.01978	1.0
315.01559	0.4
316.02213	6.5
317.02991	100.0
318.03333	9.2
463.08542	0.7
479.08298	15.3
480.08859	1.9
615.09839	38.4
616.10107	7.7
777.15295	4.2
777.31641	1.2
778.15344	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.6
59.01384	9.7
59.01630	2.3
61.79731	1.6
61.98822	9.7
65.99402	1.5
68.99808	5.1
71.01384	11.7
73.02930	3.6
73.07346	1.5
78.95909	9.7
83.01389	2.3
85.02975	7.5
85.55986	1.6
87.00863	3.4
89.02433	4.6
93.03438	4.5
95.05004	2.9
97.06563	3.3
101.02480	7.8
103.57402	1.4
106.04250	7.8
107.04987	5.0
109.06588	4.1
113.02419	6.3
125.02435	7.9
134.89497	7.5
137.02370	2.0
138.03224	1.9
151.00290	2.1
152.99559	2.4
161.04547	2.9
169.01373	6.0
177.01917	2.6
177.12851	23.1
184.57539	1.6
195.13892	48.9
203.10788	23.5
203.14322	4.0
204.11217	1.7
209.11801	2.0
217.38861	1.6
221.11818	14.2
223.13351	11.0
227.12863	2.0
229.12335	15.9
235.08272	9.8
237.14946	38.8
238.15279	2.3
239.12927	2.7
247.13365	54.3
248.13687	4.2
253.09300	14.0
256.13165	2.3
265.14438	10.9
275.20148	9.4
277.21826	8.3
279.23126	2.6
293.21219	100.0
294.21539	10.4
295.16385	1.6
311.94769	1.7
352.09512	1.8
449.07056	1.9
457.21411	4.4
465.21066	2.1
473.23776	2.1
476.28357	1.6
483.22498	10.1
501.23291	6.9
546.77081	1.8
606.60889	1.7
733.41248	3.0
734.41284	2.1
759.43329	5.0
777.44208	79.8
778.44513	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
67.51613	0.8
71.17590	1.8
78.95897	2.3
119.16286	0.7
126.53856	0.7
129.53180	0.7
152.99570	1.5
210.11710	0.7
255.23155	0.8
260.37408	0.8
272.41733	0.8
281.24969	3.7
341.23471	1.3
424.04556	1.0
493.23575	0.8
537.24890	1.3
773.48846	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	23.2
59.01378	25.9
60.01696	1.0
69.03438	1.0
71.01368	2.6
73.02950	1.4
83.05017	1.2
85.02956	6.2
87.04530	1.1
87.50925	1.0
89.47330	0.9
96.96010	1.1
99.04508	3.2
109.06584	15.3
111.04537	7.0
113.50282	1.0
123.00850	1.8
123.08162	2.5
125.02425	7.1
135.08159	19.6
137.09723	14.5
138.06883	2.2
149.09729	5.5
151.00356	1.7
153.09244	5.3
163.04028	1.5
163.11301	10.7
165.61028	1.0
167.10773	9.9
168.00616	1.0
169.01440	7.2
175.11209	1.2
177.01973	1.9
177.09210	25.1
178.09593	1.7
179.10757	1.3
185.64304	1.0
186.92574	1.0
189.00310	1.0
191.10793	7.1
193.12335	100.0
194.12633	7.2
195.13864	4.4
211.13396	40.3
211.15433	2.2
212.13704	2.4
217.12346	3.6
220.10664	0.9
235.13391	23.1
236.13733	1.3
253.11897	2.0
253.14429	17.5
254.14726	2.2
255.12334	2.7
271.04440	1.3
297.13486	7.5
298.13760	1.6
431.11597	1.5
433.13467	24.2
434.13568	1.6
497.01712	1.0
515.37756	1.2
564.61011	1.0
592.53778	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00301	11.2
61.98827	100.0
62.44042	11.3
80.64632	12.4
82.87860	10.1
98.20677	42.4
113.75323	12.1
152.99542	12.6
170.07765	11.3
217.64595	13.5
219.43343	13.7
228.80087	12.7
329.74887	12.6
538.22290	14.1
548.87488	12.9
551.72754	14.3
597.41266	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	773.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38267	0.2
57.76331	0.2
59.01374	0.2
61.98824	2.5
69.56480	1.2
71.01382	0.3
78.95904	14.3
79.95734	3.8
94.98080	0.3
96.96011	100.0
96.96928	17.1
97.95928	0.3
115.03123	0.2
125.02471	0.2
182.36026	0.2
244.71927	0.2
253.09229	0.2
277.21732	0.3
293.21213	0.3
353.80734	0.2
397.13760	0.3
595.79919	0.2
713.31476	0.4
773.42560	0.5
774.44159	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	12.3
61.98831	27.4
64.79219	3.3
69.27540	28.5
71.01382	100.0
78.95893	26.2
78.99938	3.2
79.15542	3.4
81.03446	3.1
82.05148	3.4
83.01403	3.1
89.02452	5.2
89.47959	3.2
89.59847	3.5
98.19905	7.0
101.02435	7.8
103.90183	3.7
108.69238	3.3
109.06550	4.2
111.08149	3.8
113.02446	5.1
125.02432	13.2
125.09737	3.8
127.11301	3.6
128.62880	3.5
142.45795	3.1
152.99557	14.7
163.11281	5.9
165.12917	3.7
169.01408	8.8
171.10257	75.9
172.10522	7.7
195.13971	5.1
197.11786	7.4
197.23097	3.4
199.09659	7.5
201.11313	30.4
202.11624	4.6
207.10213	13.5
209.11797	39.3
210.12259	4.3
211.13290	11.7
223.13052	4.5
225.11346	16.9
235.08122	7.0
253.09380	20.2
275.20215	10.1
291.19562	29.4
292.19980	6.2
293.21207	86.5
294.21353	8.4
309.20621	5.6
463.20667	8.8
655.94763	3.6
773.42596	29.9
774.42896	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	773.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	6.2
59.01375	17.2
61.16510	1.2
61.98817	2.0
69.27770	12.1
71.01388	4.6
74.16394	1.2
75.00880	1.8
85.02953	2.1
88.81493	1.3
95.01313	1.5
96.96014	5.2
99.00823	1.4
105.54624	1.3
107.01389	2.7
109.02962	1.7
113.02442	3.6
119.08649	5.7
121.06601	1.7
123.00916	2.4
125.02444	17.2
134.95868	1.2
137.02460	1.6
137.09712	25.2
138.10060	2.0
149.02452	1.3
151.00319	3.0
151.03989	2.0
152.01131	1.4
161.09764	1.6
165.01860	1.4
167.03453	2.6
168.00563	1.4
169.01431	17.6
170.01791	2.5
171.01791	1.6
177.01920	4.8
177.12784	7.2
209.06654	1.5
221.11821	5.6
225.10367	1.8
239.12886	100.0
240.13271	8.8
251.08379	1.4
255.02971	1.7
271.02490	6.1
281.13940	51.9
282.14362	6.0
293.09363	2.3
294.09464	1.6
300.02737	9.6
301.03531	8.2
327.97940	1.2
376.26111	1.3
447.09311	17.6
656.91595	1.4
697.21063	1.8
741.19891	3.5
773.11334	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	773.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	24.8
59.01382	25.2
64.63618	1.1
67.61557	1.1
69.03439	1.3
71.01384	3.0
71.07901	2.9
73.02954	1.3
74.82750	1.0
75.04509	1.0
80.96194	1.3
82.44390	1.0
83.04986	1.1
85.02959	6.2
89.02447	2.3
93.03416	1.2
95.05000	1.7
99.04520	4.4
101.02464	3.1
109.06603	17.3
111.04506	9.6
113.02487	1.1
121.94671	1.1
123.00896	1.7
123.08160	3.1
125.02435	7.2
129.89864	1.1
135.07202	1.7
135.08168	21.5
136.08492	1.3
137.09717	15.6
138.06866	3.0
149.09717	4.0
151.00317	1.4
151.09856	1.1
151.37373	1.1
153.09204	7.2
160.28287	1.0
163.11278	11.2
164.11609	1.0
167.09448	1.6
167.10771	9.5
168.00668	1.5
169.01418	9.1
175.11276	1.7
177.09195	28.4
178.09575	1.2
191.10712	6.5
193.12331	100.0
194.12668	5.7
196.77640	1.1
211.02444	5.3
211.13393	40.1
212.13669	2.2
217.12363	4.0
235.13425	23.2
236.13712	2.4
253.14462	16.5
254.14775	2.2
255.12376	2.0
271.04593	11.3
279.10626	1.7
297.13431	10.6
431.11884	38.7
432.12332	4.0
664.76135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76416	0.2
59.01374	0.3
61.98838	2.8
71.01384	0.4
78.95908	14.6
79.95743	3.6
87.72482	0.2
94.98108	0.5
95.97626	0.2
96.96017	100.0
96.96932	17.8
97.95969	0.5
107.10850	0.2
115.44174	0.2
118.94017	0.2
121.04813	0.2
125.24962	0.2
126.32407	0.1
229.44553	0.2
265.51004	0.2
277.21561	0.2
301.47177	0.2
397.13568	0.2
453.09467	0.3
569.55035	0.2
658.67450	0.2
713.31177	0.4
770.09735	0.2
773.42200	0.4
793.04175	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.9
57.37322	1.8
61.98815	3.2
65.78822	1.9
78.95901	47.3
79.95751	2.4
81.30215	2.0
82.58881	1.7
83.05035	2.1
96.96960	3.2
97.02966	2.1
97.06570	3.6
102.29742	2.0
109.60690	2.0
110.98547	14.4
111.04539	2.7
122.97593	2.6
152.99594	22.0
167.01146	6.9
171.10260	13.9
186.05487	2.2
190.35921	2.5
193.12369	8.6
197.11806	8.4
198.12148	3.4
200.47379	2.1
211.13428	4.9
225.14948	11.9
227.03214	2.2
243.15933	4.6
253.21761	6.1
255.23279	7.0
277.21738	28.3
278.21994	4.3
279.23291	100.0
280.23563	18.1
281.24908	5.0
282.25269	4.7
289.18057	12.2
291.19849	3.1
295.22668	3.1
307.19101	2.0
309.20825	6.8
310.21069	4.8
311.22336	7.9
312.22708	3.1
341.23306	36.9
342.23688	3.6
343.24783	10.5
344.24924	2.1
447.25293	4.4
509.25198	3.1
535.23328	18.0
536.23492	4.7
633.71307	2.0
771.48853	93.7
772.49030	27.0
785.86041	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	772.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.16673	0.5
71.29456	0.2
172.59096	0.2
257.83084	0.3
381.84808	0.2
424.21982	0.3
529.33356	0.3
586.56653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03458	2.8
58.00548	0.6
59.01378	17.1
61.98819	1.6
67.01877	1.0
68.99812	0.9
69.03450	1.3
69.29925	2.8
69.30347	2.2
71.01382	15.1
72.34644	0.6
72.99313	4.7
73.02943	1.9
75.00457	0.9
75.00871	12.2
79.95735	1.7
83.01376	1.8
83.05045	0.6
85.02954	14.4
87.00874	4.9
89.02435	4.6
93.03430	0.7
94.57209	0.5
95.01401	3.8
96.96011	8.3
99.00879	6.7
99.45692	0.6
101.02429	3.8
103.00370	0.8
107.01389	1.2
109.02923	0.7
111.00867	1.1
113.02448	12.4
114.02794	0.7
115.00391	1.4
117.01913	1.6
119.03491	1.1
123.00960	0.7
125.02441	7.5
126.02794	1.1
128.57002	0.5
129.01956	1.5
137.02379	0.8
138.68204	0.6
139.00313	0.6
151.00294	0.8
151.03941	1.0
157.01459	0.6
161.02393	0.6
163.04109	0.6
169.01427	10.3
170.01738	1.4
175.02428	1.4
177.01936	1.4
221.74422	0.6
231.05161	0.7
249.06161	7.1
313.23727	2.8
341.26941	2.7
342.27576	0.6
359.27979	14.1
360.28235	1.6
366.34616	0.6
451.07779	1.0
467.13400	0.6
479.04440	0.6
503.32220	2.2
521.33270	19.9
522.33624	2.9
667.25330	0.7
771.40222	100.0
772.40552	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	771.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.2
59.01374	1.4
61.98829	100.0
62.98527	0.9
62.99252	0.3
63.99257	0.9
71.01379	1.0
73.02964	0.2
80.02692	0.3
81.03457	0.3
83.01414	0.2
83.05038	1.1
84.02190	0.2
85.02962	0.3
87.00901	0.3
89.02446	0.8
95.05048	0.4
97.03034	0.2
97.06616	0.2
101.02431	1.0
102.50249	0.2
109.03034	0.2
109.06591	0.4
113.02433	0.5
115.07677	0.2
116.92848	0.2
119.03532	0.3
125.02441	1.1
125.09724	0.4
127.07623	0.4
127.11272	0.2
135.08151	0.3
145.63379	0.2
153.09221	1.4
161.04430	0.3
162.07298	0.1
163.11256	1.0
165.12813	0.6
167.03488	0.2
169.01407	0.6
171.10272	3.8
177.01918	0.2
179.05490	0.2
181.12375	0.2
185.11790	0.6
191.10809	0.4
197.11830	0.9
199.13408	0.2
201.11313	0.4
207.10248	0.4
209.11816	20.4
210.12140	1.4
211.13414	0.4
215.66295	0.1
225.11325	0.6
227.12857	2.8
228.13187	0.2
235.08218	0.7
245.19014	0.3
253.09230	2.1
284.47168	0.2
289.18073	1.5
291.19525	0.4
297.20667	0.2
307.19138	6.4
308.19470	0.7
309.20587	0.7
325.20206	3.4
326.20560	0.5
345.20450	0.2
363.21759	0.2
369.22293	0.2
445.20862	0.2
525.27240	0.2
543.28107	1.2
544.28821	0.3
561.29169	0.3
727.40192	0.2
735.39502	0.6
736.40491	0.3
753.40106	0.6
771.41040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	23.7
59.01379	25.9
69.03445	0.9
69.36501	3.8
71.01378	3.1
73.02956	3.0
81.03465	0.7
83.01378	0.8
83.05028	1.0
85.02953	6.7
91.30156	0.6
95.01382	1.1
97.02971	0.9
98.20647	1.1
99.00882	0.6
99.04509	2.9
101.02434	1.7
107.05070	0.6
109.06590	16.5
111.00886	1.1
111.04527	8.0
113.02438	0.9
115.04043	0.5
121.06544	1.4
122.59334	0.5
123.00870	3.6
123.08175	3.2
124.01749	0.6
125.02439	7.7
125.06086	0.7
135.08160	21.5
136.08466	0.7
137.09723	14.6
138.06847	2.9
138.10042	1.2
139.00371	1.4
140.01170	0.9
149.09744	5.4
151.00371	2.8
153.09230	6.4
161.04375	0.6
163.11266	9.9
164.11586	0.9
165.12857	0.8
167.10776	9.2
168.00636	1.6
169.01428	9.6
175.07678	0.6
175.11313	0.9
177.01923	0.7
177.04062	0.5
177.09200	25.7
178.09561	1.9
179.10707	1.1
184.59322	0.5
191.10751	6.9
192.11090	0.6
193.12328	100.0
194.12651	7.6
196.88756	0.5
211.02351	0.7
211.13388	39.6
212.13673	2.9
217.12373	4.4
235.13383	24.3
235.15808	0.8
236.13701	1.9
250.84326	0.6
253.14438	17.8
254.14754	1.4
255.12375	2.7
271.02213	1.0
271.04745	1.2
293.54443	0.5
297.13428	8.0
299.02026	1.5
300.02560	0.8
313.05621	1.2
313.65796	0.5
332.47546	0.6
385.11462	5.3
411.09561	0.8
429.10342	34.9
430.10770	3.9
609.14606	0.6
630.03864	0.6
752.67047	0.7
771.20966	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55284	0.2
60.23155	0.2
61.98832	100.0
62.98558	0.3
62.99275	0.3
71.54796	0.3
73.90836	0.3
78.95893	0.7
108.71550	0.3
118.75671	0.2
123.79618	0.3
129.97516	0.3
152.99576	0.4
211.13422	0.3
232.25681	0.3
249.84045	0.2
277.21829	0.5
278.22028	0.4
286.21216	0.3
290.80188	0.2
295.22726	0.5
312.66937	0.2
425.97806	0.3
430.80704	0.3
770.49969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.9
61.98833	1.4
63.26996	0.9
67.01868	1.0
69.03435	1.2
69.41915	8.5
71.01389	5.0
71.01718	0.9
72.99307	1.2
83.01380	1.7
85.02940	1.7
87.00881	1.7
95.01393	3.2
96.96027	1.6
97.02924	1.7
101.02460	1.7
106.96905	1.0
107.01408	15.7
108.49888	1.1
109.02982	1.2
111.00866	3.8
113.02451	2.6
116.95442	0.9
123.00876	11.0
123.04525	2.8
124.01662	4.1
125.02454	81.4
126.02787	2.6
129.01910	1.2
136.98788	1.9
139.00401	5.0
140.01137	3.9
149.02422	1.4
151.00394	6.9
153.05577	4.5
166.99869	3.6
168.00638	9.1
169.01431	100.0
170.01746	4.3
177.01926	2.4
211.02513	2.0
237.03941	2.1
253.03589	1.3
295.04596	1.6
305.06616	11.9
313.05710	15.6
467.12079	13.0
468.12357	1.6
619.13043	43.4
620.13348	7.5
638.36707	1.1
736.77344	1.2
771.14166	57.3
772.14410	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	771.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	0.8
57.13164	0.6
58.87283	0.6
59.01375	3.7
61.98834	24.9
61.99161	1.3
65.00285	0.8
67.01872	1.5
69.03456	2.5
71.01385	2.8
71.11024	1.0
72.64390	0.7
72.99317	1.7
74.25683	0.7
75.00878	1.9
79.01897	1.0
81.03465	0.9
83.01411	0.8
83.05026	0.9
85.02964	2.1
87.00879	0.9
89.02427	1.1
89.03960	0.7
95.01398	3.9
96.96012	2.4
97.02955	3.6
99.00885	0.9
101.02466	1.2
107.01387	8.1
109.02970	1.2
111.00869	3.9
113.02453	1.0
119.05021	0.8
120.60575	0.8
121.02930	0.7
123.00890	16.1
124.01646	2.7
125.02452	72.5
126.02816	2.4
127.00439	0.8
129.02007	1.4
136.98819	1.9
137.02425	1.4
139.00365	5.9
140.01167	3.9
141.01949	1.4
149.02414	1.0
150.14857	0.7
151.00395	3.7
153.01907	0.9
159.03008	1.5
161.02531	0.9
163.00279	1.0
165.01909	1.6
166.99838	4.0
167.03503	1.2
168.00656	8.0
169.01425	100.0
170.01782	3.0
171.10327	0.8
175.03928	1.1
177.01912	1.9
177.04051	3.0
179.03560	0.7
181.01419	0.8
193.01434	1.9
199.13354	0.7
205.01593	0.8
207.03046	1.2
209.00899	2.7
209.11818	4.1
211.02480	1.9
211.13383	0.8
227.12973	2.1
237.00386	2.2
249.04128	0.7
253.09274	0.8
266.45532	0.6
267.05127	1.0
288.78418	0.8
295.04419	1.2
311.04105	3.3
313.05627	1.6
325.20279	1.0
329.05179	5.2
375.27432	2.5
405.75925	0.7
463.05292	1.7
464.05215	0.7
467.19296	1.5
481.06183	2.6
556.67767	0.7
619.20331	5.3
624.39447	0.8
633.07361	21.9
634.07513	3.9
771.21387	77.5
772.21808	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	23.7
59.01379	25.9
69.03445	0.9
69.36501	3.8
71.01378	3.1
73.02956	3.0
81.03465	0.7
83.01378	0.8
83.05028	1.0
85.02953	6.7
91.30156	0.6
95.01382	1.1
97.02971	0.9
98.20647	1.1
99.00882	0.6
99.04509	2.9
101.02434	1.7
107.05070	0.6
109.06590	16.5
111.00886	1.1
111.04527	8.0
113.02438	0.9
115.04043	0.5
121.06544	1.4
122.59334	0.5
123.00870	3.6
123.08175	3.2
124.01749	0.6
125.02439	7.7
125.06086	0.7
135.08160	21.5
136.08466	0.7
137.09723	14.6
138.06847	2.9
138.10042	1.2
139.00371	1.4
140.01170	0.9
149.09744	5.4
151.00371	2.8
153.09230	6.4
161.04375	0.6
163.11266	9.9
164.11586	0.9
165.12857	0.8
167.10776	9.2
168.00636	1.6
169.01428	9.6
175.07678	0.6
175.11313	0.9
177.01923	0.7
177.04062	0.5
177.09200	25.7
178.09561	1.9
179.10707	1.1
184.59322	0.5
191.10751	6.9
192.11090	0.6
193.12328	100.0
194.12651	7.6
196.88756	0.5
211.02351	0.7
211.13388	39.6
212.13673	2.9
217.12373	4.4
235.13383	24.3
235.15808	0.8
236.13701	1.9
250.84326	0.6
253.14438	17.8
254.14754	1.4
255.12375	2.7
271.02213	1.0
271.04745	1.2
293.54443	0.5
297.13428	8.0
299.02026	1.5
300.02560	0.8
313.05621	1.2
313.65796	0.5
332.47546	0.6
385.11462	5.3
411.09561	0.8
429.10342	34.9
430.10770	3.9
609.14606	0.6
630.03864	0.6
752.67047	0.7
771.20966	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.2
59.01362	1.0
61.98829	100.0
62.98540	0.3
71.01376	0.5
73.02960	0.2
77.40297	0.2
77.98062	0.2
88.98799	0.2
96.96013	1.5
125.02467	2.0
137.02470	0.3
149.02562	0.3
156.71887	0.2
163.04050	0.2
165.02010	0.2
165.12854	0.6
169.01447	2.0
177.02017	0.3
183.13884	2.2
209.11888	0.4
227.12909	2.4
551.54492	0.2
619.20203	0.5
767.57269	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
59.72361	0.3
61.91539	0.3
61.98830	100.0
71.01382	0.8
73.02945	0.3
85.02953	0.6
95.01375	0.4
96.96018	1.1
98.19887	0.5
101.02431	0.4
106.07581	0.3
109.02986	0.3
113.02428	0.5
125.02438	2.6
137.02466	0.3
167.03542	0.4
169.01448	1.9
171.10310	0.4
177.01939	0.5
198.21091	0.3
209.11804	1.7
235.08437	0.3
255.37498	0.3
278.26279	0.3
307.19397	0.6
325.20398	0.3
771.37500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69209	0.2
57.03434	0.2
58.11335	0.2
59.01382	1.2
61.98830	100.0
71.01374	0.5
71.11213	0.5
74.48325	0.2
75.00887	0.2
76.17023	0.2
85.02969	0.4
96.96030	0.9
97.69832	0.2
99.00921	0.3
101.02453	0.5
102.36970	0.2
107.01385	0.2
112.98500	0.2
113.02451	0.4
114.05611	0.2
116.92912	0.3
123.00922	0.4
125.02436	2.0
127.12370	0.2
139.00410	0.2
151.00368	0.3
151.07710	0.2
167.03593	0.4
169.01411	2.2
170.01779	0.3
177.01965	0.3
209.11890	0.3
268.76413	0.2
317.03198	0.3
399.16727	0.2
452.08447	0.2
551.72595	0.2
587.65796	0.2
619.20660	0.7
770.36462	0.4
771.37408	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.3
61.98831	100.0
70.72565	1.7
71.01375	2.4
74.57159	0.7
85.02970	0.7
96.96025	1.3
101.02442	1.0
102.94126	0.7
107.44631	0.7
113.02499	1.0
125.02444	5.8
125.09755	1.0
149.20259	0.7
150.17618	0.8
163.11345	1.3
165.12802	0.8
167.03613	1.1
169.01457	2.3
171.10251	4.8
177.01950	1.3
181.12370	0.8
197.11867	2.1
199.13382	0.9
201.11351	2.2
208.98563	0.7
209.11804	8.7
225.11389	2.7
227.12898	1.0
235.08159	0.7
253.09384	2.5
256.26337	0.8
262.96048	0.7
289.18027	0.8
291.19687	1.7
307.19324	1.2
309.20761	3.1
316.02490	0.7
325.20139	2.2
616.93280	0.7
742.13904	0.9
770.40942	1.9
771.43280	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98829	100.0
62.46449	0.1
62.98538	0.1
70.56664	0.2
71.01402	0.2
78.74088	0.1
85.01591	0.1
96.96032	0.2
101.02464	0.2
125.02475	0.4
167.03423	0.1
169.01500	0.3
171.10268	0.4
197.11850	0.1
199.19402	0.1
201.11246	0.1
207.10231	0.2
209.11894	0.7
211.13368	0.1
225.11443	0.4
227.12846	0.1
253.09471	0.2
253.26025	0.1
282.56934	0.1
291.19702	0.2
309.20871	0.3
325.20462	0.2
770.41077	0.2
771.41675	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70686	0.9
53.89923	0.9
54.34274	1.0
55.01871	1.2
56.26404	0.9
57.03434	3.6
58.40777	1.0
59.01381	24.7
61.91866	0.9
61.98831	13.0
67.01910	1.4
68.99802	1.9
69.03448	1.1
70.86555	2.1
70.86907	0.9
71.01382	23.6
72.99310	6.5
73.02953	3.7
75.00878	12.4
79.01904	0.9
79.20749	1.1
79.78934	1.0
79.95728	1.2
81.03452	1.1
83.01396	5.0
83.83335	1.0
85.02953	21.4
87.00875	9.1
88.98786	1.1
89.02458	5.7
93.54070	1.2
95.01377	7.1
96.96010	32.8
97.02934	1.3
99.00877	9.0
101.02419	5.8
103.00389	1.3
107.01381	4.1
109.02948	3.9
111.00871	2.0
113.02444	17.3
115.00369	2.4
117.01910	2.3
123.00877	5.5
123.04528	1.1
125.02451	34.0
126.02781	4.5
129.01985	1.4
133.02945	1.4
137.02443	4.2
138.50714	1.1
139.00360	2.4
139.03969	1.4
140.01131	2.0
141.12875	1.2
150.03201	1.2
151.00381	4.5
151.03958	1.2
152.00661	1.1
157.01340	1.4
165.01923	3.0
165.05537	1.5
166.99893	2.5
167.03471	2.2
168.00584	2.6
168.99974	2.2
169.01422	37.3
170.01782	6.8
171.01851	3.9
175.02477	1.6
175.03888	1.3
175.87595	1.0
177.01913	5.5
178.99834	3.3
185.11815	2.1
189.01947	2.4
217.01326	2.6
219.02942	1.3
249.06110	7.0
267.07211	2.7
317.02844	5.5
318.03351	4.2
319.03198	2.0
327.25665	1.7
339.25305	2.7
341.06555	5.0
342.07031	1.2
357.26434	9.6
358.26697	1.5
447.10803	1.1
449.07156	5.2
450.07745	5.2
451.07727	6.7
452.08044	1.7
465.12024	5.3
465.79648	1.0
501.30920	2.3
519.31653	14.8
520.31964	2.9
521.33185	5.6
522.34167	1.1
546.23596	1.0
563.33722	2.4
617.12732	4.5
618.12653	2.4
671.33142	1.1
707.24158	1.9
723.03912	1.4
725.39911	7.3
726.39954	2.0
751.38458	1.3
769.11719	6.1
769.38696	100.0
770.14990	1.4
770.39063	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	768.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
61.98830	100.0
62.98549	0.3
65.00316	0.3
70.93362	0.3
71.01368	0.4
83.01387	0.2
85.02941	0.2
95.01398	0.3
96.95978	0.4
101.02409	0.2
107.01388	0.6
109.02981	0.2
109.82419	0.2
111.02908	0.2
123.00889	0.7
125.02454	3.6
126.02799	0.5
137.02455	0.5
143.04718	0.3
143.06148	0.2
151.00314	0.9
152.00755	0.3
166.99796	0.3
168.00468	0.4
169.01418	4.8
170.01660	0.9
171.10280	0.3
178.99904	0.6
207.10239	0.3
209.11888	0.4
281.06995	0.2
289.18243	0.3
306.07684	0.4
317.02975	1.6
318.03217	1.2
449.07208	1.7
450.07629	2.2
451.07846	0.5
616.11176	0.3
768.11292	1.2
769.37506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
57.03442	1.8
58.00583	1.2
58.07813	0.6
59.01109	1.1
59.01382	18.7
60.82318	0.6
61.98831	4.6
65.00323	0.8
65.14169	0.7
67.01891	1.0
68.99824	1.2
69.03448	1.4
70.01897	0.6
71.01380	18.3
71.54885	1.0
72.99311	6.5
73.02934	3.1
75.00877	15.9
79.01905	0.7
81.75678	0.6
83.01391	2.4
85.02952	18.8
87.00879	6.3
88.98806	1.1
89.02457	3.8
91.04005	0.8
95.01400	4.1
96.96021	3.5
99.00884	8.5
101.02448	5.0
103.00397	1.6
107.01391	2.3
108.02206	1.1
109.02939	2.6
111.00865	1.1
113.02454	14.6
115.00406	1.0
117.01939	1.8
119.03555	1.0
123.00868	2.9
123.04560	1.5
125.02446	19.3
126.02756	2.1
127.00417	0.7
129.01962	1.2
133.03018	0.7
133.30150	0.7
137.02441	1.9
139.00400	1.4
145.02963	1.0
149.02446	0.7
151.00352	3.8
151.03940	0.7
152.00739	0.9
161.02489	0.7
165.01886	1.2
166.99800	1.9
167.03584	0.8
168.00580	1.4
168.99969	1.5
169.01422	24.9
170.01781	3.7
171.01875	1.2
173.44936	0.7
175.02460	2.6
175.03923	0.9
177.01939	4.2
177.03258	0.8
178.99893	2.1
185.11795	2.1
189.01892	2.1
191.03419	1.1
217.01390	3.1
219.03033	0.9
231.02919	0.8
249.06189	6.5
301.07141	1.0
309.24225	1.1
317.02948	3.5
318.03391	1.4
319.03665	1.3
323.05634	1.2
325.24060	1.1
327.25372	4.2
328.25461	0.9
339.25391	8.3
340.25671	0.9
341.06705	5.2
341.27106	0.8
354.74783	0.9
357.26410	14.5
358.26642	1.7
359.28006	1.6
436.71640	0.7
447.10883	1.3
449.07266	1.9
450.08047	3.1
451.08081	4.9
465.11890	6.2
466.12137	0.8
501.30624	1.6
503.31805	0.8
519.31708	16.2
520.31830	2.2
521.33130	2.8
563.34363	10.2
564.34552	1.5
617.12744	4.4
618.13123	2.1
621.31183	0.8
707.23578	0.8
769.14252	4.1
769.38586	100.0
770.38916	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.4
61.98831	100.0
62.98522	0.2
65.00319	0.2
67.37230	0.2
71.01404	0.4
83.01376	0.3
85.02953	0.3
89.02431	0.2
95.01429	0.3
96.96019	0.4
98.19834	0.4
100.21165	0.2
107.01410	0.6
109.02969	0.3
118.95107	0.2
120.45499	0.2
123.00882	1.0
125.02446	3.9
126.02815	0.7
137.02469	0.7
143.04706	0.4
151.00386	0.8
165.01924	0.2
166.99916	0.4
167.03500	0.3
168.00499	0.3
169.01434	4.8
170.01785	1.3
171.10484	0.2
178.99925	0.6
184.45895	0.2
198.42900	0.2
209.11821	0.4
267.96729	0.2
272.08722	0.2
281.06583	0.2
289.18256	0.3
306.07669	0.8
317.03006	1.5
318.03400	1.1
449.07321	1.7
450.07513	2.4
679.18634	0.2
755.24078	0.2
768.11627	1.1
768.36530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98830	100.0
65.00327	0.4
65.14828	0.2
65.81705	0.2
66.41451	0.3
69.54859	1.2
69.55276	0.5
71.01385	0.6
83.01380	0.6
85.02924	0.4
89.02458	0.3
95.01410	0.6
96.96035	0.6
101.02476	0.4
107.01421	1.2
109.02962	0.8
110.14591	0.3
113.02438	0.6
116.92853	0.7
123.00890	1.5
125.02446	6.6
125.03855	0.3
126.02802	0.8
137.02458	1.2
139.00371	0.3
140.01093	0.4
151.00352	2.2
166.99860	0.7
167.03526	0.4
168.00613	0.4
169.01422	7.9
169.02803	0.4
170.01787	2.0
177.01965	0.3
177.51247	0.2
178.99875	1.4
180.00220	0.4
270.13803	0.3
279.05466	0.3
279.64063	0.3
285.20401	0.3
317.02997	2.3
318.03357	1.7
449.07214	2.9
450.07617	3.8
451.07962	0.9
616.10645	0.3
768.11133	1.5
768.41071	0.4
769.13519	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.9
57.03445	6.7
57.64782	1.0
59.01381	43.4
59.64921	1.1
65.00321	1.3
68.99805	2.6
69.03442	2.3
69.41724	7.0
71.01386	26.9
72.99310	7.6
73.02966	2.5
75.00874	18.6
83.01388	2.9
85.02951	26.7
87.00869	10.7
89.02437	6.8
91.03987	1.9
95.01374	6.4
98.19855	1.4
99.00888	12.0
100.06648	1.2
103.00346	3.2
107.01393	5.0
109.02962	2.7
111.00819	1.9
111.04624	1.2
113.01714	2.2
113.02448	33.5
115.00372	2.5
117.01939	2.7
121.02953	3.4
123.00912	1.5
125.02433	6.1
129.01929	2.4
135.04482	1.6
145.10262	1.3
145.19139	1.2
151.00360	20.7
152.00783	1.4
156.12457	1.2
161.13359	1.8
163.03992	1.4
163.11275	1.8
163.69193	1.2
169.01398	8.7
175.02501	1.8
178.99806	6.9
182.28592	1.2
186.83028	1.4
187.11218	6.1
189.09186	1.2
198.87558	1.5
205.07095	1.7
205.12344	5.8
207.10213	2.0
223.13403	1.9
231.50337	1.5
239.12932	1.5
245.42847	1.1
249.06148	20.2
250.06558	1.4
256.71503	1.2
267.07208	23.8
267.43216	1.5
300.02734	2.6
301.03516	38.3
302.03851	3.2
309.08438	2.3
313.05591	3.3
393.28271	1.2
455.19067	2.9
457.17062	2.8
465.06726	6.7
499.18155	4.6
517.19067	2.9
591.22681	4.8
615.09979	15.2
616.09625	3.4
749.25146	5.1
767.26074	100.0
768.26392	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	767.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40592	1.2
57.03426	5.5
59.01384	35.9
60.33245	1.4
69.03452	1.5
71.01381	25.5
71.31469	1.5
72.99307	7.4
73.02923	2.8
75.00871	17.9
81.03407	1.4
83.01373	1.5
85.02950	23.1
87.00895	7.6
89.02468	6.0
91.03976	1.3
95.01384	4.8
96.95985	3.1
99.00883	14.0
99.04519	1.2
103.00358	2.0
113.01717	2.2
113.02450	27.2
115.00382	2.7
117.01897	3.2
121.02912	1.8
125.02426	3.1
129.01929	2.2
160.06476	1.4
161.13368	2.5
163.11308	1.8
165.01868	2.6
169.01428	3.4
173.27728	1.3
175.02417	2.4
187.11282	2.0
205.07260	1.9
205.12331	2.3
207.05023	1.7
207.10162	2.6
223.13440	3.1
249.06149	14.4
267.07233	20.2
268.07553	1.5
301.03577	1.8
309.08145	2.6
353.39117	1.4
439.10550	2.2
457.17316	1.7
517.18909	2.3
591.23254	6.3
749.25098	3.9
767.26099	100.0
768.26373	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	767.459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98453	1.1
58.38458	1.2
59.01381	15.5
59.56679	1.2
61.98829	4.2
68.30408	1.5
69.93388	6.2
71.01369	2.4
78.95928	1.8
81.30859	1.2
89.02455	2.8
97.55166	1.3
99.99827	1.1
101.02429	2.0
113.02446	1.5
123.00887	2.0
125.02441	6.9
151.00435	2.0
156.64880	1.2
169.01445	8.2
178.99860	1.4
183.13857	4.3
211.13388	100.0
212.13797	5.9
235.08197	5.0
253.09229	8.7
277.21719	90.3
278.22034	11.7
291.19720	2.0
317.02945	3.5
447.22180	3.7
449.07047	5.6
767.45032	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	767.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.3
65.00317	3.6
65.64941	1.6
69.03459	3.4
69.44656	6.3
69.45061	3.6
71.01367	3.8
81.03430	1.3
83.01393	3.4
85.02937	3.9
87.00851	1.8
95.01395	2.9
96.10653	1.2
97.02934	2.7
98.19868	1.8
99.00824	2.0
101.02428	2.5
107.01407	14.1
109.02984	2.6
111.00896	2.2
113.02447	3.4
121.02938	5.0
123.00911	12.0
124.01662	3.5
125.02447	72.4
126.02744	2.6
137.02458	1.5
139.00378	3.5
140.01138	4.9
149.02449	2.1
150.99188	1.9
151.00371	33.0
163.00374	2.6
163.03856	1.6
168.00630	6.5
169.01427	69.6
169.28577	1.4
170.01825	3.0
177.01891	2.0
177.21886	1.4
178.99869	15.8
179.03459	1.7
191.03539	3.0
193.01398	2.3
203.03430	1.4
211.02466	5.3
221.04510	5.3
243.02969	11.2
255.02986	26.6
256.03357	2.4
271.02448	50.4
272.02942	5.2
283.02448	2.3
295.04370	2.5
297.06009	1.7
297.71381	1.6
299.02023	2.5
300.02753	100.0
301.03442	53.4
302.03854	5.1
313.05676	21.7
463.08481	7.3
465.06696	35.9
466.07111	5.2
615.09943	35.3
616.10303	5.1
767.10974	94.9
767.22406	2.0
768.11267	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
59.89179	0.4
61.62795	0.3
61.98846	0.3
63.02387	2.2
65.00326	4.0
71.01383	0.8
71.31539	0.5
73.02940	0.3
81.03471	0.4
83.01382	3.5
85.02974	0.5
89.02458	0.4
91.01914	0.6
96.96007	0.4
99.49564	0.3
101.02478	0.3
107.01389	10.1
109.02956	7.7
119.01369	0.5
123.00896	1.1
124.01698	0.5
125.02449	6.8
125.03321	0.5
135.00882	0.6
137.02446	21.9
138.02805	0.9
139.00400	0.3
149.02377	0.4
151.00366	40.3
152.00676	1.6
155.03545	0.4
163.00400	3.2
164.01132	0.9
165.01898	1.8
167.03598	0.3
169.01431	5.4
170.01799	0.3
171.04440	0.4
175.04056	0.5
178.99860	28.8
180.00221	1.4
183.04457	0.5
187.04068	0.5
190.99889	1.1
192.00638	2.2
193.01392	1.8
199.03970	1.0
203.03482	0.5
214.02757	0.4
215.03461	0.8
217.05141	0.5
227.03499	1.9
229.04947	0.3
242.02074	0.6
243.02991	2.6
245.04633	0.8
255.02937	0.8
259.02435	0.8
261.04022	1.4
270.01831	0.5
271.02451	5.7
272.02887	0.4
287.01971	2.7
289.03531	0.9
297.06125	0.6
299.02039	1.5
301.03546	0.6
315.01340	0.6
316.02234	8.1
317.03006	100.0
318.03333	9.0
449.07419	0.5
463.08820	2.1
615.09882	73.2
616.10229	13.7
737.61188	0.3
767.10632	0.5
767.37555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25870	1.1
63.02390	2.1
65.00321	3.9
66.99472	0.9
67.01856	1.8
69.03465	2.3
69.31380	3.9
69.31798	4.8
73.02899	1.0
77.18939	1.0
79.76783	1.0
81.03432	1.8
83.01383	2.2
85.02979	1.1
88.61681	1.1
95.01413	5.2
97.02981	1.9
106.00717	1.0
107.01379	11.4
109.02942	6.5
111.00858	2.2
123.00888	16.8
124.01685	1.5
125.02449	66.9
126.02761	1.4
133.75348	1.0
136.98869	1.3
137.02438	14.0
139.00381	3.4
140.01074	3.1
141.01912	1.5
150.70003	1.2
151.00356	23.6
152.00815	1.1
162.75677	1.0
163.00360	3.1
165.01923	1.3
166.99840	9.6
168.00662	5.2
169.01424	100.0
170.01750	3.7
178.99866	19.2
191.18491	0.9
192.00557	1.6
193.01367	1.5
227.03470	1.2
243.02979	1.5
271.02441	4.7
279.05096	2.9
281.06717	5.7
287.02026	1.1
297.06140	5.1
299.01730	1.3
303.03625	1.0
316.02219	4.1
317.03033	43.2
318.03259	3.1
449.07233	70.8
450.07492	7.2
615.09869	4.2
767.10706	24.6
768.11444	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	767.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02392	2.5
65.00312	5.5
67.01904	1.4
69.01414	0.8
69.03453	1.5
70.84558	2.8
71.01369	0.9
71.79093	0.9
75.83238	0.9
79.01934	1.1
81.03411	1.1
83.01394	2.0
92.77555	0.9
95.01380	8.2
97.02963	2.0
107.01375	11.9
109.02962	7.6
111.00867	1.3
123.00881	19.0
124.01696	1.3
125.02448	73.7
126.02810	2.6
136.98853	1.0
137.02443	14.9
139.00369	3.8
140.01166	2.2
149.02470	1.0
150.99171	1.9
151.00365	27.4
152.00626	1.0
161.02426	0.9
163.00365	3.2
163.03970	1.0
165.01909	1.1
166.99837	13.2
168.00681	5.4
169.01421	100.0
170.01781	3.7
178.99855	17.0
191.03511	1.4
192.00621	1.6
193.01390	2.2
207.02939	1.0
227.03560	2.2
243.02966	1.5
271.02402	3.6
279.05054	4.7
281.06699	6.4
297.06058	4.9
316.02219	1.4
317.03015	47.8
318.03290	4.0
449.07211	91.6
450.07428	8.3
468.06454	0.9
615.10059	2.5
767.10980	25.6
768.11169	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	767.11
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.9
63.02396	2.6
65.00336	6.9
65.50883	1.2
69.03441	1.8
71.01372	9.2
71.29242	2.0
72.99298	2.9
75.00860	5.9
83.01393	3.5
85.02949	6.8
87.00869	3.9
89.02419	2.1
93.03422	3.1
95.01372	2.8
97.02949	1.8
99.00864	2.1
101.02457	2.0
107.01402	25.4
109.02937	3.4
111.00882	1.5
113.02448	8.9
121.02942	8.0
123.00906	6.8
124.01670	2.6
125.02452	87.6
126.02808	3.1
127.49249	1.7
139.00331	2.5
140.01074	2.7
143.03464	2.3
149.02428	2.6
150.99182	2.8
151.00368	48.6
158.89119	1.5
161.74171	1.4
163.00346	2.9
165.01886	1.5
167.03529	1.9
168.00644	4.3
169.01422	100.0
170.01788	2.5
178.99863	19.8
180.00024	1.4
193.01443	2.0
198.26711	1.4
211.02361	1.8
227.03409	2.9
237.03784	1.6
243.03046	4.1
245.04607	1.7
249.06129	3.3
255.02898	13.8
267.07190	5.0
271.02457	24.8
272.02838	2.2
273.04044	2.3
295.04486	2.6
300.02689	30.8
300.06036	2.0
301.03513	97.4
302.03827	9.3
313.05664	21.7
314.05862	1.5
316.02350	1.9
445.08347	2.0
465.06680	15.5
499.18289	2.1
597.08777	2.1
615.09875	57.0
615.19977	3.1
616.10187	8.5
749.23706	1.8
767.10846	72.5
767.25934	21.8
768.11169	20.8
768.25952	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	765.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34691	3.3
59.46709	2.7
61.98832	5.6
66.91045	2.9
71.01378	7.3
71.55160	5.3
78.95908	9.2
78.98598	5.3
79.95733	17.2
80.96514	71.4
94.98098	18.6
96.96022	4.9
97.02943	2.9
101.02389	4.5
106.98067	3.1
122.97542	5.6
134.97528	6.3
148.99110	4.5
152.98608	6.7
164.98622	14.7
177.37396	3.1
211.13406	3.2
217.92586	3.5
218.45627	2.9
225.00693	19.9
233.49063	3.5
247.40584	3.2
255.23291	14.2
263.12601	3.0
277.21494	3.0
306.83762	3.6
313.38776	3.6
765.40802	100.0
765.53564	6.7
766.41193	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	765.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23289	5.1
57.03449	7.8
59.01380	66.1
61.98832	86.8
62.70493	5.6
69.03454	7.9
70.04166	5.3
71.01385	46.5
72.99286	7.0
73.02928	6.7
81.03455	7.1
83.45837	5.4
85.02967	14.5
87.00874	13.3
88.98811	12.3
89.02448	33.8
92.89964	6.0
95.01414	8.0
95.05035	7.2
96.96059	6.0
97.02946	6.4
97.06593	15.0
99.62067	5.9
101.02441	28.2
113.02464	19.2
119.03565	13.0
121.02878	7.2
123.00883	9.0
125.02457	93.9
137.02472	9.6
139.04001	8.6
151.11264	7.6
161.02310	9.5
165.01926	8.7
165.12852	16.5
166.99820	6.9
167.03493	12.6
168.00623	7.8
169.01398	70.7
171.10338	6.6
177.01942	9.8
179.00055	7.0
179.05542	7.2
181.12314	23.1
191.10822	10.5
209.11816	49.3
227.12952	22.1
235.08147	10.1
243.65169	6.7
245.19034	11.9
263.20172	17.6
285.04068	6.6
287.01950	10.4
289.18134	16.2
307.19165	100.0
308.19510	13.6
315.01538	26.0
397.13507	62.9
397.87793	6.0
415.14639	44.2
475.18744	6.9
504.81641	6.7
596.70227	6.4
607.26135	54.8
608.26294	8.3
705.33435	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	13.1
59.01381	57.9
59.92159	7.2
61.98834	100.0
69.03458	10.8
70.64859	12.7
70.65257	13.3
71.01384	63.4
72.99284	10.1
73.02934	10.1
75.00874	8.5
87.00845	11.9
89.02468	46.2
89.02910	7.8
91.52567	7.0
97.02903	14.6
97.06579	9.2
101.02458	33.3
111.08150	8.6
113.02438	11.4
116.04568	7.0
119.03552	8.5
123.00874	19.5
125.01631	9.7
125.02461	99.5
137.02420	21.4
145.06445	7.1
149.02478	8.6
151.11249	13.5
161.04582	11.1
165.12848	18.1
167.03465	10.3
168.00647	10.3
169.01421	89.9
170.01755	10.4
177.01868	23.3
179.05562	8.4
181.12341	23.4
209.11813	49.5
211.13513	7.8
227.12891	21.8
235.08347	10.6
253.39214	8.5
263.19952	13.2
287.01828	12.9
289.18094	20.5
307.19196	96.9
308.19418	7.7
315.01425	47.2
316.02127	8.8
328.39755	8.1
359.88449	7.3
364.97540	6.5
397.13470	48.5
415.14651	42.4
607.26031	54.0
705.33405	24.1
786.94885	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	765.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	16.0
61.98825	1.0
67.32565	0.3
70.04659	1.4
75.03085	0.4
77.25201	0.4
88.00397	2.2
88.98808	100.0
89.02445	8.2
89.99121	0.7
96.65780	0.4
116.07528	0.4
223.52240	0.5
255.36821	0.4
315.01401	0.5
319.03445	0.4
351.06918	0.4
397.13519	0.7
628.02271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95673	0.4
60.99309	18.6
61.89599	0.4
61.98825	1.5
62.36393	0.4
71.01682	0.5
71.69056	0.4
87.00899	0.8
88.00404	1.8
88.98808	100.0
89.02445	8.2
89.99140	1.6
123.32733	0.4
125.02418	1.0
127.90543	0.5
167.49516	0.4
169.01396	0.8
216.87244	0.4
250.50804	0.5
315.01437	0.8
397.13461	0.9
473.20526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.4
59.01383	42.9
61.98832	32.9
64.69839	2.7
69.03463	3.4
69.39104	19.0
71.01376	33.7
72.99299	4.0
73.02946	4.2
75.00862	2.9
81.03461	5.5
82.98407	2.4
83.01387	8.3
85.02964	10.9
87.00874	8.2
88.98796	3.5
89.02444	29.9
95.01387	4.2
95.05010	2.3
96.95998	9.0
97.02956	10.5
98.20607	4.2
101.02434	26.5
109.02970	4.0
112.51171	2.5
113.02474	12.9
116.92850	3.3
119.03513	6.9
123.00917	3.1
123.04514	6.3
123.08153	3.5
124.06615	2.5
125.02447	35.2
125.09711	7.9
135.07980	2.7
137.02391	4.3
137.09689	3.3
143.03506	4.3
144.58025	2.6
161.04533	7.1
163.11272	8.9
169.01431	22.2
177.01894	2.9
179.05597	8.3
185.11789	10.4
191.14430	11.8
207.10292	6.6
209.11824	26.2
210.12173	2.9
211.13397	3.2
225.11549	3.1
235.08212	7.8
245.19118	19.0
253.09328	4.8
285.04156	3.3
287.01880	5.3
289.18109	96.4
290.18375	8.1
307.19153	100.0
308.19409	11.1
315.01410	18.1
316.02151	3.8
397.13519	50.3
398.13824	6.5
415.14499	41.3
416.14740	4.5
454.67709	3.1
473.92828	2.6
568.98047	3.2
705.33197	4.0
706.34186	2.8
765.34601	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	765.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.5
58.00603	1.9
59.01379	38.9
61.98829	25.2
66.91938	1.1
69.03453	3.9
70.33503	1.1
70.84968	2.3
71.01381	31.5
72.99284	2.0
73.02943	5.2
75.00861	2.3
81.03458	2.4
83.01392	8.2
83.05045	2.4
85.02941	9.0
87.00862	6.2
88.98798	2.8
89.02445	27.9
93.03477	1.7
95.01376	2.7
95.05034	2.0
97.02965	7.4
97.06563	3.9
99.00874	1.5
101.02448	20.2
109.02943	3.4
113.02443	12.7
116.92860	2.0
119.03486	7.1
121.06608	1.7
123.00845	1.3
123.04536	2.8
123.08076	1.5
125.02439	21.0
125.09737	8.1
131.03539	1.7
135.08130	1.7
137.02429	2.2
137.09737	4.6
141.12836	1.4
143.03476	3.9
149.04466	1.3
161.04558	6.0
163.07645	1.3
163.11307	9.0
165.01718	1.3
165.09146	1.2
165.12823	1.7
167.03398	2.2
169.01483	10.6
177.01903	2.9
179.05644	6.4
181.12300	1.9
185.11774	6.1
191.10767	1.9
191.14372	7.6
199.29881	1.3
203.03394	1.6
207.10210	4.6
209.11826	26.7
210.12134	1.9
211.02509	1.4
211.13458	2.5
217.15881	2.6
217.48048	1.3
225.11272	4.7
235.08202	7.5
237.11263	2.7
245.19095	18.5
246.19414	1.6
253.09265	2.8
263.20172	3.0
281.21469	1.3
287.01898	1.6
287.07855	1.9
289.18094	79.4
290.18408	6.2
307.19144	100.0
308.19601	7.8
310.72751	1.2
315.01447	7.8
316.01941	2.3
323.09964	1.5
327.41577	1.4
397.13461	44.2
398.13800	3.4
415.08844	2.8
415.14532	49.2
416.14853	4.7
607.25507	2.4
622.92804	1.3
624.39325	1.2
687.32825	2.0
705.33484	7.3
706.34070	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.8
59.01376	14.9
61.98840	9.3
68.99801	4.2
69.03471	3.3
70.38920	6.2
70.39263	1.9
71.01384	15.2
73.02928	4.1
78.95915	1.9
83.01347	2.4
83.05015	4.9
85.02936	4.8
89.02426	5.3
93.03448	3.4
94.17680	1.9
95.05025	3.2
97.06591	3.6
101.02428	6.0
106.04230	8.4
107.05030	7.4
109.06590	3.7
113.02423	7.3
113.79800	1.8
125.02420	4.8
132.05794	2.2
141.38358	2.0
159.11723	3.4
161.04556	4.3
169.01384	2.8
177.12823	30.0
183.08072	2.2
195.13896	58.0
196.14232	2.0
203.08945	2.7
203.10765	31.6
203.14423	3.1
203.37994	2.0
221.11829	20.7
223.13341	2.9
229.12315	18.0
230.12520	2.0
235.08218	5.4
237.14964	54.2
238.15149	5.7
247.13373	84.4
248.13606	5.5
253.09200	8.6
265.14401	17.4
277.21701	100.0
278.22031	8.4
457.20862	12.0
465.20816	2.8
473.23947	3.2
483.22299	24.2
501.23297	9.7
743.43884	8.7
761.44781	81.0
762.45056	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76685	2.1
59.01381	17.8
61.98819	5.1
69.80505	10.1
71.01392	14.9
72.99331	4.6
73.02937	4.7
75.00861	9.4
76.05431	2.1
83.01379	5.1
85.02950	16.7
87.00860	5.9
88.98811	2.9
89.02439	5.3
95.01418	4.4
96.96013	4.7
97.02937	2.3
99.00865	6.2
101.02423	3.5
107.01385	3.6
113.02454	15.2
123.00878	4.9
125.02442	25.3
126.58403	2.0
134.60959	2.3
137.02460	3.1
137.57736	2.0
143.60286	2.0
148.57220	2.1
151.00308	2.7
161.02408	2.5
165.12852	13.5
166.06322	3.3
169.01414	23.9
170.01733	2.9
175.02536	2.9
177.02028	2.0
181.08630	3.7
183.13898	27.5
184.14249	2.2
191.03455	3.2
193.72797	2.1
227.12924	2.2
249.06093	8.8
267.07166	18.6
278.18927	2.3
285.04010	11.2
313.05655	3.5
315.01517	2.8
338.52988	2.9
343.13855	4.7
465.06165	2.3
477.19748	100.0
478.20154	15.5
493.15521	4.0
508.12671	2.2
553.22498	8.1
557.29523	4.9
673.21143	13.1
763.14941	7.4
763.30487	3.4
764.15851	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	764.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88359	1.7
61.98830	100.0
69.97782	1.8
70.97220	4.4
70.97557	2.4
71.01375	3.6
78.95927	2.5
79.95734	6.2
80.96516	23.4
87.00874	2.7
94.98073	8.1
98.16607	1.8
108.11763	1.9
134.97557	4.3
148.99115	2.5
152.98589	2.4
159.32886	2.2
164.98604	4.7
183.13922	12.3
225.00687	7.5
253.09218	2.0
255.23254	19.5
666.49365	2.2
701.44800	32.9
702.44910	8.7
764.39691	8.2
765.40771	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	765.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34810	0.5
57.03447	21.3
59.01379	21.8
69.03448	1.1
71.01376	1.5
72.84166	0.5
73.02943	1.6
81.03455	0.8
83.05027	1.0
85.02957	5.3
95.01376	0.6
96.96012	5.6
97.02959	0.6
99.04502	2.9
107.01386	0.7
108.02154	0.6
109.02985	2.4
109.06590	18.5
110.06927	0.7
111.00925	0.6
111.04519	8.1
121.06592	1.5
123.00890	2.0
123.08167	2.0
125.02428	7.5
125.06064	0.8
135.08167	20.5
136.08528	1.1
137.09726	14.2
137.64510	0.6
138.06857	2.3
138.10078	0.6
139.00381	0.8
141.01797	0.6
149.09709	4.3
151.00444	2.5
153.09222	7.2
159.08051	0.6
163.11281	10.1
164.11690	0.9
167.10768	9.5
168.00604	1.0
169.01413	8.3
170.01694	0.6
174.21988	0.5
175.11319	1.2
177.02051	0.5
177.09200	24.5
178.09573	2.0
179.10797	0.8
191.10762	5.8
193.12328	100.0
194.12682	7.7
201.09216	0.5
204.92708	0.5
209.11794	0.5
211.13387	38.9
212.13707	2.2
217.12288	4.5
234.03728	0.5
235.13376	24.4
236.13809	1.5
253.14435	19.7
254.14781	1.8
255.12332	3.5
297.13452	10.4
298.13840	1.4
299.65158	0.5
303.05069	0.7
304.05447	0.5
307.08588	2.6
313.05615	2.3
374.03915	0.5
423.09332	27.8
424.09653	3.7
483.43256	0.6
650.89697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.8
67.01881	0.9
69.54295	5.5
77.73482	0.7
81.03458	2.1
83.01390	2.9
85.52293	0.7
93.03442	2.1
95.01389	1.2
95.05035	1.7
97.02911	0.9
98.19939	1.4
105.03470	2.6
107.01375	1.3
107.05029	1.6
109.02941	7.0
111.04542	1.9
117.03467	1.3
121.02952	3.6
123.00876	3.5
124.01675	1.8
125.02448	100.0
126.02783	3.2
131.05040	0.9
133.02974	3.9
135.04469	0.8
137.02435	15.1
139.04015	5.5
141.66017	0.8
145.02905	1.2
147.04466	1.0
149.02437	5.9
151.04002	9.0
159.04541	1.6
161.02437	14.8
163.00374	2.6
163.03993	1.9
164.01135	3.1
165.01917	7.4
166.02679	1.3
167.03487	8.4
169.01418	19.0
170.01846	1.2
173.06067	1.2
175.00349	1.7
175.03976	13.8
176.01189	1.8
176.04355	1.1
177.01921	64.6
177.05330	3.6
178.02327	4.0
179.03456	4.8
183.04501	1.4
186.12334	0.9
187.04044	3.2
189.01913	2.1
191.03471	2.2
193.01395	2.8
193.05046	2.5
197.06123	1.1
199.04027	5.2
201.01997	1.7
201.05531	2.0
203.03497	2.3
204.04179	1.0
205.01451	1.1
211.03973	1.9
213.05640	1.3
215.03459	1.8
217.05083	7.1
219.03029	3.0
219.06660	3.2
221.04520	2.4
225.05637	1.1
227.03510	4.0
229.01407	3.7
229.05052	3.4
241.04967	1.2
243.02972	17.2
244.03368	1.6
245.04573	1.7
255.02962	16.4
256.03616	2.9
257.04498	2.5
261.03912	6.0
269.04538	8.6
273.03992	4.6
283.02518	8.3
284.03079	1.0
285.03973	4.2
287.05634	9.8
295.05771	0.9
297.04147	4.1
298.04538	1.0
301.03528	5.4
303.05115	8.2
305.06644	25.9
306.06998	2.2
313.03506	2.0
315.04926	1.1
319.04678	2.5
327.05307	1.6
379.08224	1.7
387.05173	1.6
405.06152	8.9
423.07205	87.6
424.07520	9.5
441.08392	5.9
442.08524	0.9
452.07208	1.0
457.07840	4.4
465.08322	4.2
483.09265	6.3
569.92926	1.0
575.08295	2.8
591.11566	3.8
593.09363	4.9
594.09851	1.3
609.12231	9.1
635.10254	1.6
761.13715	1.4
762.14105	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	23.2
58.03767	2.0
59.01382	15.1
69.03445	2.2
69.51563	7.0
69.51980	3.2
71.01360	2.8
79.71707	1.4
81.03446	1.9
83.01370	3.4
85.02945	2.8
93.03435	4.9
95.05093	1.6
97.02997	1.7
105.03429	1.8
107.01394	1.9
107.04987	1.4
109.02937	6.5
109.06577	6.8
110.06937	2.3
111.04501	6.3
121.00378	1.4
121.02932	3.7
123.00917	2.7
124.01666	2.7
125.02445	100.0
126.02757	5.2
130.54794	1.5
131.05016	1.8
133.02956	2.7
135.08154	12.4
136.08466	3.8
137.02446	19.9
137.09732	7.1
138.10080	1.7
139.03995	6.1
141.21530	1.4
147.04495	1.4
149.02415	6.8
149.09746	2.7
151.03990	7.8
153.09167	3.2
154.09532	1.4
155.03448	3.3
161.02415	11.8
163.00304	3.8
163.11264	4.2
164.01166	2.2
164.11624	2.8
165.01888	5.9
167.03448	6.7
167.10706	3.1
169.01411	30.6
170.01749	2.2
173.04568	3.5
174.03236	1.4
175.00348	2.0
175.03975	12.4
176.00943	1.5
176.04324	1.5
177.01929	63.2
177.05457	3.7
177.09227	10.8
178.02271	4.8
178.09540	4.4
179.03474	4.9
183.04434	1.4
187.04080	2.7
189.01978	1.7
191.03442	2.6
191.10707	3.2
193.01392	2.5
193.05045	2.9
193.12321	44.0
194.12662	20.5
195.12883	2.5
199.03999	4.5
201.05537	3.0
203.03500	1.7
211.13370	15.9
212.13741	7.7
213.13982	2.1
215.03456	1.8
217.05078	7.4
217.12222	2.6
219.02908	2.8
219.06619	3.9
221.04553	2.2
227.03459	4.0
229.01445	3.0
229.04883	2.9
231.03058	2.0
235.13397	7.8
236.13637	5.0
237.13945	1.8
243.02986	15.0
251.03523	2.2
253.14397	6.5
254.14751	4.3
255.03009	11.5
255.14870	1.7
256.03677	3.4
257.04474	3.1
261.03931	7.6
269.04504	6.4
273.03906	2.6
283.02374	6.3
285.04047	3.5
287.05600	11.7
297.03900	6.6
297.13568	2.4
298.13712	2.7
301.03552	4.7
303.05124	10.5
305.06659	19.6
306.07056	3.3
311.07742	1.8
325.05499	2.6
405.06073	6.1
417.14075	5.1
418.14215	5.6
419.14493	2.1
423.07175	59.5
424.07468	9.0
441.08185	6.4
442.08646	2.0
463.08615	16.2
465.08179	4.2
483.09171	6.0
575.08386	2.2
591.11475	8.4
593.08966	2.6
609.12604	11.0
610.12964	2.5
761.13470	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05761	1.1
54.25629	0.9
57.03448	9.8
70.71645	1.1
70.71989	2.8
77.21747	1.0
78.95924	1.9
81.03469	1.7
83.01394	2.7
93.03484	2.8
96.95983	1.2
105.03458	3.4
107.05026	1.4
109.02951	6.1
121.02956	4.8
123.00893	2.3
123.04542	2.0
125.02451	100.0
126.02821	2.4
131.05017	2.1
133.02937	3.4
137.02463	17.4
139.04002	5.3
149.02475	5.7
149.05977	1.4
151.04007	9.4
159.04425	1.3
161.02458	18.7
163.00346	6.5
164.01138	4.1
165.01889	8.1
166.02570	1.3
167.03488	7.1
169.01428	14.6
171.04561	1.5
172.00761	1.2
173.06113	1.3
175.00363	2.4
175.03992	17.3
177.01932	80.2
177.05511	4.0
178.02289	5.4
179.03487	6.4
181.61546	1.2
187.03987	4.1
191.03532	2.4
193.01454	4.2
193.05043	2.7
199.03978	3.8
201.01904	2.9
201.05673	2.6
203.03529	3.1
211.03979	1.8
213.05562	1.8
215.03551	2.3
217.05063	7.5
219.02950	3.8
219.06616	3.3
221.04544	3.2
225.05539	2.4
227.03490	3.3
228.04483	1.2
229.01474	2.9
229.04979	2.4
241.04918	1.5
243.02948	15.5
244.03326	2.0
245.04462	1.7
254.66460	1.2
255.02991	11.7
256.03745	2.7
257.04541	3.6
261.04037	6.4
261.07761	1.7
269.04572	7.1
273.04041	5.0
283.02631	5.8
285.04041	5.1
287.05603	11.4
297.04004	4.6
301.03745	5.3
303.05130	9.2
305.06680	28.0
306.06995	2.0
313.03558	2.3
315.05109	1.4
327.05325	1.4
405.06076	9.2
423.07205	81.4
424.07516	10.5
439.06894	1.4
441.08221	7.6
452.07504	1.3
453.08466	3.6
457.07932	3.9
465.08145	7.2
483.09534	6.2
492.81085	1.2
575.08112	4.0
591.11255	9.0
592.11188	1.5
593.09473	2.3
609.12433	12.3
610.12823	2.2
761.13440	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	759.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	11.4
61.98836	10.6
71.01379	5.5
71.25665	3.3
72.99317	3.0
73.02944	2.9
74.75290	1.9
79.63488	1.7
83.01406	2.0
85.02953	1.7
87.00868	2.1
88.98791	2.2
95.01382	5.0
97.02906	2.4
101.02436	3.2
107.01385	17.5
111.00867	4.9
113.02401	2.9
116.92838	3.6
123.00884	16.3
124.01661	4.8
125.02450	67.3
126.02747	1.9
127.00355	1.9
136.98816	2.1
137.02411	2.5
139.00349	5.6
140.01118	6.7
151.00365	10.9
161.02362	1.9
165.09102	1.6
167.03554	2.4
168.00652	7.9
169.01422	66.3
170.01781	3.4
171.10219	1.7
177.01935	2.2
211.02399	2.5
221.08174	1.9
319.04495	2.0
385.11337	1.7
403.12378	4.1
459.18948	2.6
597.39941	3.7
607.20361	10.9
608.20508	2.2
711.91046	2.0
738.85272	2.5
759.21289	100.0
760.21674	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	759.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.5
61.98830	6.3
67.01880	1.7
69.03484	1.9
71.01381	4.6
74.00705	2.1
75.79315	1.8
79.01910	2.7
83.01394	1.8
85.02934	2.3
87.00874	3.3
88.98817	2.4
95.01395	2.5
97.02940	2.0
101.02425	4.8
107.01405	19.0
111.00864	3.5
116.92854	6.0
121.02961	3.3
123.00877	18.1
124.01676	4.3
125.02446	71.1
126.02780	3.9
132.38106	1.6
134.03737	5.5
136.98817	2.7
138.72255	1.6
139.00356	9.9
140.01131	6.8
141.01917	2.3
151.00366	9.7
151.11288	2.2
167.03401	2.6
168.00621	7.5
169.01428	72.1
169.12299	9.8
170.01772	4.2
171.10352	2.0
177.01892	3.7
179.03523	2.2
211.13402	3.3
225.07825	1.7
327.21606	2.1
385.11539	3.4
402.11423	2.1
403.12714	3.1
421.05496	1.8
589.33569	1.8
607.20416	17.2
701.78613	1.9
715.38281	2.3
759.21454	100.0
759.41431	14.4
760.21503	23.9
771.96564	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	759.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	22.1
59.01103	1.5
59.01382	24.8
59.06050	0.8
69.03456	2.2
69.38778	7.1
71.01395	1.7
73.02959	1.3
74.86740	0.9
78.06975	1.0
83.05029	1.7
85.02959	6.7
95.01399	1.0
95.05037	1.0
99.04540	2.3
99.19353	1.0
99.76339	0.9
101.02438	1.1
105.62011	0.9
107.01411	1.5
108.28970	1.0
109.02962	1.7
109.06597	15.2
110.06911	1.0
111.00935	1.1
111.04515	6.6
121.02962	1.8
121.06617	1.2
123.00887	3.9
123.08154	2.7
124.01633	1.2
125.02451	43.1
135.07193	1.6
135.08162	19.8
136.08527	1.0
137.02419	2.9
137.09735	14.5
138.06882	1.9
149.02397	1.6
149.09686	5.2
151.00343	1.6
151.03993	2.2
153.09195	6.5
155.04997	0.9
161.02460	2.6
161.61897	0.9
163.00275	1.0
163.11316	8.0
165.01875	2.1
167.03488	6.3
167.10750	8.7
169.01430	33.4
175.00385	1.3
175.04002	3.1
175.11317	1.2
177.01939	19.1
177.09198	28.5
178.09517	1.7
191.03374	1.5
191.10808	6.0
193.12331	100.0
194.12712	6.0
199.04053	1.2
200.64163	1.0
211.13397	39.4
212.13783	3.2
213.05501	1.1
217.05043	2.2
217.12296	4.1
235.13383	22.8
236.13768	2.1
243.02977	7.0
253.14461	17.0
255.12312	2.8
259.02460	1.0
261.04114	2.4
272.33777	1.1
273.03873	1.3
285.04077	2.0
287.05621	1.6
297.13477	9.8
301.03433	1.1
303.05096	3.3
305.06763	2.4
319.04559	2.8
417.14072	16.7
418.14453	1.7
420.16135	0.9
423.07175	3.4
457.08069	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.0
61.98829	77.6
68.21310	2.8
68.84321	2.6
71.01381	87.5
71.52251	3.0
71.52605	4.2
73.02935	4.9
78.95901	57.7
83.97463	2.7
96.79269	2.9
101.02490	3.6
109.06586	9.0
113.02462	3.6
125.02469	4.3
125.09700	3.1
152.99579	31.4
163.11278	4.8
169.25702	4.2
171.10265	100.0
172.10603	4.9
181.12302	5.8
197.11818	9.1
199.09761	20.4
201.11314	22.5
207.10229	26.9
225.11311	11.4
235.08049	3.4
243.12399	4.9
253.09312	14.9
277.21695	70.3
278.22250	6.4
291.19714	3.2
293.21021	4.5
311.22485	4.8
327.85605	3.4
445.19763	6.0
447.21597	17.7
461.20111	6.2
757.43396	38.2
758.43518	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	759.1043
Annotation	Geponin
Peak:m/z	Relative Intensity
57.03439	2.6
59.01352	4.4
67.01904	1.6
69.03445	3.2
71.01379	2.3
72.63392	1.3
76.43202	1.2
79.01911	2.1
80.99592	1.2
83.01379	2.4
85.02958	1.8
85.13767	1.3
88.05627	1.6
95.01406	8.9
96.66196	1.4
96.95978	1.9
97.02944	2.3
107.01382	13.0
109.02921	2.0
111.00890	2.9
113.82320	1.2
121.02939	2.4
122.03097	1.7
123.00878	23.5
124.01656	1.4
125.02447	95.7
126.02750	2.3
136.98869	1.7
137.02393	3.9
139.00352	6.7
140.01137	4.0
147.04559	1.8
151.00354	6.8
151.04005	2.6
159.04463	1.6
161.02451	2.5
163.04027	1.6
165.01953	2.2
166.99852	8.0
167.03485	5.0
168.00656	7.9
169.01419	100.0
170.01706	5.5
175.03958	3.5
177.01913	10.0
193.05006	3.0
195.02960	1.8
225.04050	1.6
229.74478	1.8
237.04050	3.2
243.02802	1.6
267.05103	5.6
269.06519	3.0
285.06256	14.5
286.06598	1.5
301.03198	1.6
319.04327	3.0
382.87134	1.4
437.07104	7.6
455.07773	2.1
471.74384	1.4
555.23572	1.4
563.17578	1.5
589.08337	34.2
590.08600	4.9
607.09381	10.8
652.51886	1.3
759.10406	65.4
760.10620	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	757.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96406	9.1
61.98832	100.0
77.62856	8.7
78.95900	95.8
84.82614	8.5
89.10693	7.9
94.19247	9.4
96.96957	15.6
98.19872	27.6
152.99561	36.6
255.23322	12.7
272.71829	9.1
277.21725	24.8
293.21045	15.5
318.08066	9.2
380.62396	10.2
630.74078	10.5
666.42114	10.0
757.41858	29.6
776.99792	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	757.4019
Annotation	Unguisin A
Peak:m/z	Relative Intensity
57.03416	3.7
59.01381	21.1
61.98830	66.6
69.15970	28.3
69.16385	6.3
71.01385	12.6
73.96556	3.5
82.95409	4.2
89.02463	5.3
96.96004	5.5
97.06609	8.8
98.20610	6.0
101.02436	10.2
113.02451	6.8
116.92867	5.0
123.00842	4.7
125.02432	47.4
137.02460	5.3
137.10989	3.2
151.11263	18.5
155.81639	3.8
161.02332	4.0
161.04608	3.5
165.01929	4.2
167.03520	5.9
169.01433	35.3
169.12335	100.0
170.01833	4.4
170.12679	4.8
171.10252	5.0
177.01903	8.3
178.99861	3.9
185.11761	6.6
197.11816	13.5
209.11827	47.0
210.12193	12.6
211.13495	22.7
213.11304	17.1
227.12796	5.1
235.08215	7.9
253.09259	14.3
263.29483	3.5
289.18124	4.4
291.19534	4.0
305.06650	5.4
307.19131	18.4
308.19327	3.3
309.20602	7.9
310.21143	6.2
325.20078	5.5
327.21829	16.8
449.20279	8.6
543.27838	3.8
661.63849	4.1
666.55670	3.5
739.39380	11.6
740.38995	6.1
757.40216	98.0
758.40405	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	755.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.6
60.15261	0.4
61.43414	0.5
63.02409	0.8
65.00335	0.9
83.01392	0.5
86.11580	0.5
93.03474	1.4
99.04516	4.4
107.01374	3.4
108.02185	1.9
109.02962	0.6
111.04514	0.9
121.02984	0.9
125.02458	7.1
125.23815	0.5
135.00868	1.0
137.02473	0.8
148.01669	1.7
151.00357	5.9
155.03503	1.6
161.02599	0.4
163.00377	1.4
164.01192	0.6
169.01414	11.3
169.02805	0.7
173.04544	2.1
177.01889	0.7
178.99841	3.0
182.31580	0.5
191.05658	0.4
199.03949	0.9
205.38861	0.4
215.03569	1.0
226.02678	1.7
227.03502	2.4
242.71519	0.5
242.74423	0.4
243.02989	11.0
244.03337	1.2
254.02208	2.3
255.02986	28.1
256.03360	2.6
271.02475	60.7
272.02911	6.8
273.03717	0.6
273.09796	1.5
299.01938	2.3
300.02747	100.0
301.03278	13.8
302.03821	0.5
325.05530	0.9
343.06424	0.5
425.10895	12.0
426.11386	1.1
755.20300	53.8
756.20551	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	755.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41540	5.4
54.13299	5.3
59.01371	7.5
61.98834	37.5
70.27029	22.5
71.96779	6.0
78.95904	61.6
94.63033	6.3
98.19895	6.8
110.98530	17.6
113.51328	6.0
152.99583	16.6
171.10278	13.8
174.89478	6.5
255.23256	7.4
277.21729	100.0
291.19693	10.5
293.21155	13.5
295.22784	22.6
309.20645	11.2
311.22244	8.0
327.21774	25.1
351.12720	6.1
465.75650	6.2
626.79285	6.7
755.44940	87.6
756.45856	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	755.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
59.01386	8.0
59.74588	1.1
61.98832	29.4
71.01395	6.7
71.55196	1.5
72.99330	1.7
73.02944	1.5
76.72435	1.1
76.72958	1.2
78.95909	16.3
83.05029	2.3
85.02931	1.9
87.00871	1.6
89.02441	4.3
97.06567	1.9
101.02442	7.1
109.06554	1.4
109.66415	1.3
110.56574	1.2
111.08175	7.6
113.02421	2.8
115.00237	1.1
117.79425	1.1
119.03519	1.8
123.00951	1.4
125.02450	10.3
152.99570	6.8
161.04555	2.8
165.12860	15.0
166.13271	1.4
167.10732	2.5
169.01352	5.3
169.12354	1.8
177.01886	2.2
177.12790	2.0
179.14420	2.2
183.13895	100.0
184.14229	6.6
195.13892	9.0
197.11835	3.6
205.12288	4.0
209.11824	8.0
211.13367	2.4
223.13353	17.5
224.13643	1.6
227.12885	11.5
235.08240	3.7
247.20732	2.0
253.09270	14.4
291.19662	79.5
292.20026	8.6
293.21112	2.7
309.20706	7.6
311.22357	2.0
374.09589	1.3
445.20129	7.4
463.21744	6.0
473.15530	1.4
618.78168	1.4
669.34808	21.7
670.35480	4.1
737.41211	15.4
738.41370	2.8
755.41693	13.9
756.41986	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	755.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.6
59.01379	5.0
65.00304	1.0
68.99794	0.6
69.03436	0.8
71.01375	3.9
72.99261	0.8
73.02922	1.0
75.00847	1.0
79.01856	1.0
83.01366	1.2
85.02903	2.0
87.00855	0.9
89.02432	0.8
92.01967	0.6
95.01374	3.3
96.95975	1.6
97.02888	2.1
98.20682	1.0
99.00856	0.9
101.02402	1.1
107.00731	0.6
107.01392	10.4
111.00832	2.8
113.02399	1.9
119.04953	1.8
123.00891	14.8
124.01624	1.9
125.02449	64.4
126.02711	2.2
127.00340	1.0
135.04391	0.7
136.98729	2.4
137.02435	1.0
137.05972	1.3
139.00371	6.3
140.01178	4.8
141.01877	1.0
141.68669	0.6
150.99396	0.7
151.00381	9.3
161.02361	0.9
163.03925	0.9
166.99741	1.8
167.03491	0.7
168.00620	6.1
169.01422	57.9
170.01733	3.1
177.01845	0.8
181.01312	1.1
181.04982	0.8
207.02946	0.9
211.02347	1.8
243.02948	0.8
256.51947	0.7
271.04575	1.2
273.07626	1.1
288.66266	0.7
292.60336	0.6
313.05676	3.7
319.08569	1.5
433.11490	1.6
449.07053	2.7
451.12415	41.3
452.12698	6.4
499.66107	0.7
512.16187	1.2
603.13550	100.0
604.13849	20.2
629.66260	0.8
692.22522	0.8
711.30920	1.8
712.31018	0.7
729.14301	0.8
755.14600	25.3
755.36176	0.9
756.14819	5.8
756.25757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.1
59.01371	3.0
61.45263	1.1
66.46111	1.0
71.01379	3.8
71.55250	1.0
85.02953	1.3
89.02455	2.3
93.51549	1.0
95.01355	1.3
101.02444	2.8
107.01384	4.5
109.02945	1.5
113.02495	1.3
123.00860	8.9
124.01725	1.2
125.02449	23.6
135.06613	1.3
137.02425	2.4
139.00359	3.7
139.03958	1.1
140.01073	2.1
141.01875	1.4
151.00381	7.7
164.01180	1.2
167.03462	1.8
168.00548	1.3
169.01437	24.6
177.01884	2.0
179.03464	1.1
211.02464	3.4
246.25780	1.1
271.04614	6.8
305.06613	5.0
313.05634	3.7
332.30542	1.4
382.90002	1.1
449.12967	100.0
450.13330	10.4
776.89600	1.3
778.29889	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
61.98830	100.0
62.98534	0.3
63.51740	0.2
90.87060	0.2
98.20646	0.4
125.02426	0.8
135.79663	0.2
139.04114	0.2
167.03575	0.2
169.01483	0.7
209.11929	0.5
218.29684	0.2
227.12814	0.2
264.42535	0.1
283.84433	0.2
347.33713	0.2
438.05167	0.2
449.97760	0.2
639.59082	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98829	100.0
62.98546	0.3
69.38152	0.1
69.86016	0.1
69.91130	0.4
69.91521	0.3
71.01386	0.2
72.84918	0.2
78.12428	0.1
80.35581	0.2
87.95863	0.2
96.96030	0.2
125.02427	0.9
149.06032	0.2
167.03542	0.3
169.01447	0.5
177.01939	0.2
186.69377	0.2
209.11818	2.2
210.12112	0.3
211.13435	0.2
227.13022	0.2
253.09622	0.2
289.18161	0.2
291.19702	0.2
305.06525	0.2
307.19308	0.4
308.19650	0.3
309.20715	0.6
482.17862	0.2
539.26300	0.2
735.99115	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98829	100.0
62.98526	0.2
69.39108	0.4
69.39526	1.0
71.01385	0.3
76.71932	0.2
78.95914	0.2
89.83965	0.2
96.96030	0.7
110.56135	0.2
125.02428	1.3
137.02448	0.3
165.01907	0.2
167.03516	0.5
169.01450	0.8
177.01900	0.4
197.11859	0.4
209.11797	3.3
211.84393	0.2
214.86337	0.2
225.11339	0.2
227.12892	0.5
253.09233	0.4
291.19690	0.8
309.20654	1.2
755.29877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.5
61.98812	0.6
65.00305	0.8
68.99780	0.6
69.03412	1.1
69.23557	5.3
71.01395	2.8
72.99277	0.5
73.02914	0.6
75.00832	0.9
79.01846	1.0
81.03433	0.9
83.01326	0.8
85.02890	1.7
87.00837	1.6
89.02397	1.4
95.01338	2.3
96.95944	1.4
97.02894	1.8
99.00828	0.9
101.02399	1.6
107.00727	0.6
107.01383	8.7
109.02912	0.9
111.00823	2.2
113.02396	1.6
119.04967	1.6
123.00892	13.8
124.01572	2.3
125.02452	50.5
126.02708	2.3
127.00345	0.9
135.04469	0.7
136.98743	1.7
137.02438	0.8
137.06015	1.6
139.00385	5.7
140.01178	3.8
141.01874	0.9
151.00368	7.0
153.01782	1.0
161.02327	0.8
161.81223	0.6
165.01900	0.7
165.05473	0.8
166.99785	1.3
167.03412	1.2
168.00667	5.5
169.01430	49.1
170.01692	2.1
177.01871	1.1
179.03343	0.7
183.23444	0.5
187.09694	0.5
211.02408	2.1
218.04335	0.6
271.04538	0.6
297.03766	0.6
313.05563	2.7
317.02652	0.7
318.25781	0.6
319.08475	1.5
356.90054	0.5
433.11334	2.5
449.07077	1.5
451.12448	38.0
452.12823	4.8
512.16211	1.1
603.13556	100.0
604.13910	17.4
692.23358	0.7
711.30902	1.3
755.14703	18.6
755.25928	0.7
755.36560	0.8
756.14471	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	754.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66718	0.1
56.88373	0.0
59.01378	0.1
61.98830	100.0
62.98539	0.2
62.99261	0.1
71.01421	0.1
85.02938	0.0
98.20635	0.1
113.02399	0.1
125.02451	0.3
130.36882	0.0
169.01453	0.2
177.02063	0.1
209.11838	0.1
229.46106	0.1
246.16313	0.0
494.32568	0.0
583.76514	0.0
755.29608	0.1
785.13214	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76466	0.7
59.01371	1.5
64.55825	0.7
66.03843	0.6
66.91363	0.7
71.55953	0.7
74.02457	0.8
85.11661	0.6
96.96017	4.5
107.01389	1.6
109.02947	1.1
114.85650	0.7
121.02975	4.0
124.01678	1.4
125.02414	4.0
137.02409	2.4
151.00360	5.3
158.53032	0.7
159.30933	0.7
163.00377	1.3
164.01122	1.4
169.01418	3.8
177.01787	0.6
178.99844	4.8
203.03366	0.9
203.08302	1.1
214.02734	4.9
219.06001	0.7
242.02225	3.4
243.02890	1.6
245.09219	1.9
255.02963	1.3
259.02405	3.6
270.01663	4.6
271.02454	26.1
272.02795	2.3
272.84549	0.7
287.01984	11.1
288.02563	2.3
299.01990	1.0
300.02765	5.2
301.03455	2.0
316.02225	71.6
317.02875	18.8
318.03183	1.0
343.57693	0.7
439.10474	2.6
463.08813	100.0
464.09146	14.4
468.69131	0.8
501.19839	1.6
525.12347	1.3
529.08765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
57.21613	1.1
59.01371	10.4
60.78453	1.1
61.98825	22.0
62.85079	1.1
64.96204	1.3
69.03455	3.6
71.01390	10.5
71.05015	2.0
71.17162	1.9
75.00865	5.9
78.91873	1.9
81.03423	1.6
83.05033	3.0
85.02916	2.0
87.00861	1.9
88.98819	4.4
89.02444	3.5
97.02921	1.9
97.06575	2.8
99.00877	1.4
101.02454	6.7
109.06564	1.7
111.08121	1.3
113.02378	3.3
119.03515	1.5
122.86906	1.2
123.08163	1.5
123.32738	1.3
125.02443	10.8
125.09700	3.5
128.70801	1.1
151.11255	3.3
153.12839	1.6
161.04604	2.8
161.09700	3.5
163.11320	2.2
165.12820	2.6
167.03514	2.6
169.01367	5.1
171.10252	6.0
177.01863	2.3
179.10741	7.3
183.13907	1.8
195.13875	3.7
197.11818	85.7
198.12196	6.3
199.13326	2.2
201.11287	1.4
207.10240	3.7
209.11816	48.6
210.12140	3.5
210.27243	1.2
211.13416	4.1
216.34053	1.2
223.09804	3.2
223.13315	3.9
225.11292	5.2
227.12872	10.2
235.08232	3.9
241.10732	3.7
245.19051	2.4
253.09201	8.1
263.20255	2.9
275.20129	1.6
289.17984	10.2
291.19571	5.3
293.21216	12.0
305.06641	2.1
307.19138	14.0
309.20612	4.0
445.20724	1.5
459.18292	2.0
477.19226	2.7
481.29825	1.8
735.41083	1.7
753.40570	100.0
754.28229	2.2
754.40991	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03450	1.2
59.01384	5.8
61.98818	2.9
65.00316	4.1
68.06451	0.9
68.99805	0.9
69.03453	2.2
69.31339	8.0
71.01379	5.2
72.99294	1.4
73.02946	1.3
75.00874	1.3
79.01897	1.1
81.03455	0.8
83.01385	2.8
85.02945	6.4
87.00898	1.1
89.02401	1.1
94.80189	0.8
95.01375	5.8
96.95994	2.4
98.20575	1.8
99.00858	1.7
101.02456	1.3
107.01389	14.7
109.02965	6.8
111.00869	3.0
113.02444	11.5
116.92867	1.1
121.02950	1.3
123.00896	14.7
124.01642	2.1
125.02447	61.7
126.02741	1.8
137.02449	13.3
139.00400	5.2
140.01138	3.4
141.01924	1.3
149.02414	2.7
150.99179	1.9
151.00363	30.2
151.01572	2.1
151.03967	1.1
152.01003	0.8
153.01970	1.0
155.03535	1.1
159.04512	1.2
163.00362	1.8
164.01120	1.4
165.01918	2.5
165.05521	0.9
166.99870	4.8
167.03479	1.7
168.00635	3.9
169.01414	73.0
170.01732	3.4
175.03949	1.7
177.01895	1.4
178.99886	14.2
179.03447	2.6
191.03517	1.8
192.00633	1.3
193.01405	10.7
203.03412	2.2
207.02943	1.1
211.02434	7.0
221.04477	2.2
223.02473	5.3
233.93253	0.9
235.02301	2.2
236.28830	1.0
247.02551	0.9
249.05890	1.0
259.05997	1.3
265.03497	4.9
267.04831	1.4
267.07312	2.0
269.04547	1.8
271.02338	2.4
271.04813	1.5
283.04602	12.2
287.05392	0.9
313.05582	3.4
316.02029	2.1
317.03000	41.6
318.03192	4.0
435.05649	100.0
436.06052	12.0
465.06738	2.8
483.07574	1.2
601.11151	4.0
612.33673	1.0
691.22375	1.4
709.29272	2.4
753.10321	17.7
754.10297	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	753.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	4.0
57.86755	0.9
59.01377	4.8
61.03374	0.8
61.98800	1.9
65.00306	2.3
69.03452	2.2
71.01379	3.7
72.99303	1.7
73.02974	1.4
81.03443	2.6
83.01387	3.2
85.02931	1.6
87.00887	1.2
87.59045	1.1
95.01402	2.4
96.95994	2.8
97.02938	1.7
99.00880	2.2
101.02422	1.3
102.71115	0.9
107.01384	12.0
111.00876	2.6
113.02439	2.4
116.71970	1.0
121.02907	1.1
123.00864	5.9
123.04501	1.2
124.01693	2.3
125.02448	100.0
126.02763	2.7
133.03003	1.1
136.98782	1.4
137.02406	2.8
139.00317	3.3
140.01141	2.1
143.03500	2.0
149.02419	1.2
151.00365	9.8
151.03958	1.9
152.01134	2.2
153.01953	1.6
157.06612	0.9
163.00340	1.3
166.99847	1.6
167.03511	2.4
168.00600	4.9
169.01427	85.4
169.52760	1.0
170.01762	3.0
173.05986	1.7
175.03943	1.4
176.01132	2.0
177.01976	2.1
177.05502	3.3
178.99847	4.4
181.06618	1.1
183.02950	3.9
183.06551	1.0
193.01341	1.9
199.07564	1.5
201.05530	3.9
207.11403	0.9
211.02449	3.4
215.07190	2.1
243.06563	4.2
259.06094	10.6
269.04562	19.1
271.04654	2.6
287.05634	13.0
288.08765	2.3
295.04443	1.9
313.02209	1.7
313.05630	22.3
314.05908	2.1
423.05338	1.8
465.06754	17.4
466.07288	3.3
483.07727	3.8
583.10370	2.0
591.09393	1.2
601.11890	6.8
681.43286	1.2
735.12311	10.4
736.11462	2.9
753.13037	57.8
753.24243	2.2
754.13525	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	752.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08918	0.4
59.01377	2.7
61.98830	100.0
71.01385	2.2
71.47337	0.7
85.02952	0.5
89.02451	1.4
96.96017	2.5
97.02991	0.5
101.02452	1.3
102.49717	0.4
107.01386	0.4
113.02451	0.9
123.00903	0.6
125.02449	4.2
131.87094	0.4
143.03407	0.4
161.22826	0.3
169.01451	2.4
177.01917	0.6
209.11870	1.0
211.13411	0.4
225.11415	0.6
235.08131	0.4
235.16997	0.9
236.17490	0.6
253.09389	0.5
275.20154	0.7
276.20612	0.7
293.21191	2.7
294.21658	1.6
309.20972	0.6
397.13531	3.8
398.13910	2.0
415.14569	1.4
434.29437	0.4
449.07617	0.8
450.07373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.3
61.98828	100.0
65.04106	0.3
71.01396	1.5
71.21948	0.5
78.95905	0.6
85.31281	0.3
89.90732	0.3
93.54717	0.3
96.96030	1.3
97.02995	0.3
101.02439	0.6
109.02989	0.5
112.11810	0.3
125.02456	3.7
151.00415	0.3
165.75502	0.4
167.03542	0.4
169.01404	2.3
170.01617	0.4
177.01894	0.4
195.11353	0.3
209.11694	0.4
293.21362	0.6
294.21521	0.5
349.59814	0.3
393.22769	0.4
397.13693	0.7
398.14017	0.7
416.14307	0.3
438.07751	0.4
449.07263	0.5
450.08038	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06604	4.3
61.93431	4.2
61.98835	11.0
75.96282	3.7
78.95905	63.6
79.95738	7.0
80.96513	14.9
90.20977	3.6
97.21926	3.7
99.93764	3.6
100.36443	3.5
110.98555	4.2
116.44469	4.5
122.97542	5.2
123.41811	4.8
147.05673	3.7
152.98534	4.3
152.99623	20.9
195.13937	11.6
196.89513	37.3
197.89528	15.4
207.72931	4.3
223.13434	4.2
252.03818	3.7
277.21704	48.3
279.23282	61.1
280.23544	8.5
293.21246	90.7
294.21582	10.7
295.22891	24.1
343.52866	4.3
361.29324	3.8
469.68927	4.0
471.07309	4.1
600.16315	4.5
747.55969	5.0
752.30273	5.6
752.48981	100.0
753.50330	22.1
779.98517	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	751.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.4
61.98844	4.5
71.01370	5.0
71.52673	1.1
78.95885	2.2
83.01376	1.2
83.05010	1.1
85.02961	1.7
87.00851	2.2
88.17383	0.9
88.70703	1.0
89.02415	3.6
95.05038	1.3
95.84145	0.8
96.96017	7.8
96.96957	1.9
97.06598	1.3
98.41005	0.8
101.02428	4.8
113.02446	2.5
120.58286	0.9
125.02441	3.2
159.11836	1.3
160.81316	0.9
161.04514	1.3
167.03477	1.2
169.01402	5.1
175.11264	1.0
177.12836	15.2
195.13892	86.0
196.14285	5.5
210.94279	0.9
221.11792	3.2
223.13399	4.5
235.08208	1.9
239.12898	6.9
253.09299	6.8
273.18341	0.9
275.20074	2.4
291.19763	1.0
293.21234	26.6
294.21487	3.2
309.20621	2.4
313.16739	0.9
371.10846	0.9
377.90622	0.9
399.29932	1.0
435.16187	0.9
449.07178	3.0
457.20743	2.3
475.21838	5.5
611.42798	0.9
751.42682	100.0
752.43121	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	751.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
59.01377	13.2
61.98827	7.2
67.11768	1.0
69.03443	2.8
69.74150	1.0
70.04402	1.1
71.01377	11.6
71.15437	1.3
71.15775	2.0
72.99287	1.1
73.02931	2.4
74.37480	1.0
78.95905	2.1
81.03448	3.2
83.01391	1.5
83.05017	7.1
85.02930	3.5
87.00866	2.4
89.02440	7.1
95.01393	1.4
95.05030	6.4
97.02956	2.8
100.79839	1.0
101.02451	7.8
109.06583	3.4
110.03734	1.8
111.04528	1.7
111.08170	6.5
113.02453	6.2
119.03468	2.0
123.08152	0.9
125.00798	1.0
125.02419	5.0
132.94893	0.9
143.03493	1.4
145.04997	1.5
161.04549	3.3
164.28740	1.2
165.12781	1.0
167.10765	4.1
169.01445	5.1
171.10294	2.3
175.11212	1.8
177.12825	10.9
179.10756	2.2
179.14380	3.4
183.13890	1.9
193.12376	1.7
195.13869	18.5
196.14275	1.8
197.11816	3.2
203.10699	3.3
205.12355	5.8
211.13437	5.2
221.11815	56.9
222.12172	3.7
223.13385	47.7
223.15599	1.3
224.13681	3.3
235.08244	6.5
239.12878	100.0
240.13206	8.7
241.14400	2.1
253.09267	24.1
254.09645	1.4
256.13046	1.9
275.20163	4.4
277.21909	1.2
291.19653	40.3
292.19937	4.1
293.21225	86.1
294.21524	9.5
449.07144	2.6
457.20883	5.9
459.22638	2.4
475.21844	16.0
476.22345	2.3
751.42706	11.0
752.43646	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	751.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.6
57.19069	2.7
59.01382	35.1
60.14607	2.6
61.98831	85.6
65.00325	3.2
66.94335	2.7
69.90228	3.7
71.01379	28.0
71.05018	3.1
71.55300	3.6
72.99300	3.6
73.02954	3.5
78.95895	3.1
83.01399	5.2
83.15247	2.7
84.69001	2.7
87.00867	7.3
89.02440	25.6
95.01357	4.0
97.02959	6.2
101.02435	24.6
107.01392	5.8
108.25955	2.6
113.02470	8.5
113.09747	6.3
119.03502	5.0
123.00904	8.1
125.02454	42.0
126.02753	4.0
127.71259	3.1
137.02437	4.5
139.00394	4.5
151.00349	7.0
161.04558	3.0
166.99901	3.1
167.03491	5.1
169.01421	41.5
171.10284	5.1
179.05551	6.9
209.11766	3.4
211.13394	10.1
235.08266	8.1
235.17036	9.5
250.56377	3.1
253.09273	5.0
275.20154	12.6
287.07840	4.0
293.21201	100.0
294.21573	9.5
301.03452	5.2
317.02991	6.5
317.65787	3.1
397.13440	87.4
398.13892	8.4
415.14438	29.2
449.07205	17.9
691.35895	3.3
751.38354	4.8
758.12891	3.1
771.35309	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	751.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
59.01374	6.6
61.98822	4.2
65.39273	0.8
68.25945	1.0
69.03465	3.0
71.01379	5.3
71.05019	0.9
71.55193	0.9
75.56699	0.9
78.95893	1.5
79.54777	1.1
83.05028	1.6
85.02950	2.3
87.00875	1.7
89.02423	2.4
94.96617	1.1
101.02428	3.6
111.08173	4.6
111.71869	1.1
112.08393	1.0
113.02442	3.1
119.03457	1.1
121.72410	0.9
123.00877	1.8
125.02442	6.5
128.20532	0.9
161.04591	2.2
166.99850	1.0
167.10847	4.5
169.01433	5.1
169.12323	2.7
169.79938	1.1
179.14400	3.6
191.06935	0.9
195.13904	11.4
196.14165	0.9
197.11821	27.4
198.12111	2.0
199.13316	2.8
205.12309	10.0
211.13344	4.3
221.11755	3.8
223.13379	100.0
224.13719	7.4
235.08324	6.9
239.12820	3.3
240.13098	1.2
253.09276	15.8
263.20242	2.2
291.19598	10.4
293.21039	5.0
309.20709	43.7
310.21167	4.8
449.07126	3.3
459.22382	12.0
545.29333	1.2
597.19855	1.2
605.33997	1.0
751.42163	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	751.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68965	0.9
59.01381	20.0
61.98830	100.0
69.03461	1.4
69.27256	1.9
69.27576	7.9
71.01386	19.0
71.05029	1.6
73.02959	2.6
83.01398	2.2
83.05047	1.1
85.02965	3.3
87.00877	3.6
89.02444	15.2
95.01410	2.2
96.95997	1.4
97.02964	3.5
99.00881	1.1
101.02451	13.8
113.02464	5.8
119.03495	4.1
123.00914	2.0
125.02448	19.4
126.44855	1.0
137.02481	1.2
143.03543	2.2
151.00296	1.4
151.71928	0.8
161.04585	2.8
167.03470	2.1
169.01410	12.8
170.01694	1.1
179.05608	3.6
209.11801	1.2
211.13408	1.2
217.07376	0.9
221.06664	0.8
235.08284	5.5
235.17029	8.3
253.09250	1.1
263.07608	0.8
274.71384	0.8
275.20135	9.8
276.20401	1.8
285.04370	0.9
293.21240	41.2
294.21567	3.8
301.03391	1.7
305.08881	2.2
323.09747	1.1
329.07529	0.9
332.89023	1.1
397.13477	49.9
398.13916	5.5
415.14572	24.5
416.14926	2.2
449.07257	10.2
450.07251	2.1
654.48315	0.9
740.01093	1.0
751.38684	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94426	3.1
57.03429	3.0
59.01381	36.0
60.97458	3.1
61.98830	100.0
62.93785	3.1
69.54546	23.5
71.01374	26.7
78.95879	4.2
79.37534	3.0
83.01399	3.6
85.02935	6.4
87.00876	4.4
89.02450	23.2
95.01415	4.6
97.02944	5.3
101.02430	20.4
107.01379	5.4
113.02442	8.3
113.09729	4.0
123.00879	11.1
125.02441	46.8
151.00381	8.2
164.99734	3.3
166.99870	2.9
167.03476	6.8
169.01433	47.1
179.05574	6.4
185.44112	3.0
209.11925	4.9
211.13409	12.9
225.11325	4.4
235.08168	7.2
235.17035	8.1
260.33521	3.8
275.20078	10.7
287.07880	3.8
293.21222	75.4
294.21378	5.7
301.03568	4.8
307.44928	2.9
317.03372	7.2
397.13531	70.6
398.13760	5.3
415.14575	34.9
449.07343	26.2
515.96100	3.4
604.44531	4.1
691.33868	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	751.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
58.02980	0.5
58.69073	0.3
65.70491	0.3
69.03454	1.0
71.55534	0.4
81.03468	0.5
83.01411	0.3
92.05064	0.6
93.03476	0.3
95.01410	0.5
96.96006	1.0
97.02960	1.1
105.03456	0.6
105.34151	0.3
107.01377	0.6
109.02968	0.6
116.05036	0.3
118.06624	2.9
123.00893	0.9
124.01641	0.4
125.02445	55.8
125.80870	0.3
126.02787	1.7
128.05074	3.0
131.03746	2.2
133.02956	0.4
137.02443	1.5
139.04024	0.8
142.57529	0.3
144.04547	17.5
145.04895	0.8
146.04948	0.4
146.06110	7.9
147.06438	0.4
151.04033	0.4
161.02443	3.8
164.01180	0.3
165.01913	1.4
166.99898	0.5
167.03493	1.1
169.01422	100.0
170.01759	4.0
172.04053	1.3
177.01944	0.6
179.03482	0.9
190.05095	11.9
191.05434	0.8
193.01411	2.1
207.07808	0.4
219.06593	0.5
221.04623	0.3
223.43918	0.3
225.32220	0.3
243.02994	0.5
249.08804	5.6
269.04507	0.9
287.05588	1.6
293.06808	0.5
305.06665	4.5
306.06955	0.5
319.04556	0.3
331.04520	1.1
400.63184	0.3
457.07739	8.4
457.13113	0.6
458.08105	0.9
701.13629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34845	0.2
56.52725	0.2
59.01377	1.2
59.02984	0.2
61.98830	2.4
71.01379	1.5
72.99306	4.1
75.00869	100.0
76.01205	1.2
85.02939	0.3
87.00880	0.2
89.02453	1.0
98.19833	0.3
101.02439	0.8
111.04549	0.2
113.02475	0.5
114.35685	0.2
119.03506	0.2
125.02428	1.1
133.57166	0.2
143.03571	0.3
161.04597	0.4
169.01387	0.9
171.10306	0.3
179.05515	0.3
221.11823	0.3
223.13423	0.3
229.30827	0.2
235.08266	0.7
239.12936	0.4
253.09363	0.4
277.21719	3.1
278.22058	0.3
293.21310	0.3
301.03543	0.2
309.20636	0.4
397.13443	5.7
398.13889	0.4
415.14621	2.1
449.07355	0.4
493.44034	0.2
537.54266	0.2
592.48376	0.2
597.39380	0.2
675.36536	0.3
751.38849	0.3
763.21075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
61.98836	1.6
63.77462	0.3
69.03452	0.3
71.01381	1.4
72.09647	0.3
72.99307	3.8
75.00874	100.0
76.01215	1.0
78.95933	0.3
83.01392	0.3
87.00889	0.4
89.02460	1.2
95.01395	0.3
97.02984	0.3
98.20618	0.9
101.02461	1.0
113.02458	0.5
119.03505	0.4
119.80104	0.2
123.00906	0.4
125.02435	1.3
143.03386	0.3
151.00314	0.4
165.09476	0.3
169.01442	1.8
172.19017	0.3
174.27805	0.3
179.05498	0.3
195.13881	0.4
197.11755	0.3
223.13315	1.3
235.08191	0.9
277.21741	3.9
278.22174	0.6
280.75476	0.3
291.19620	0.8
309.20844	0.3
397.13501	6.6
397.18484	0.6
398.14166	0.5
415.14417	2.2
449.07266	1.0
751.39917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
61.98810	0.8
62.30613	0.7
67.01889	1.1
69.03465	2.3
69.26808	2.4
69.27232	4.6
71.01385	4.0
72.99343	0.7
73.02958	1.2
75.00862	1.3
79.01890	1.7
81.03478	1.8
83.01443	0.7
85.02961	2.8
87.00903	1.0
93.41170	0.6
95.01397	2.1
96.96020	2.7
97.02992	3.3
99.00850	0.8
101.02480	1.6
107.01395	13.5
109.02950	1.2
111.00895	2.7
113.02452	2.7
120.93459	0.7
123.00888	6.5
123.04578	1.1
124.01688	3.4
125.02447	100.0
126.02799	3.3
135.29082	0.7
136.98843	2.1
137.02467	2.9
139.00365	2.8
140.01187	3.0
141.01981	0.8
143.03535	4.3
149.02547	0.8
151.00369	7.6
153.01944	1.2
154.99905	0.9
159.04509	0.8
163.04025	1.0
164.01085	0.7
165.01955	1.4
166.99881	0.7
167.03452	1.0
168.00676	3.1
169.01425	98.5
170.01747	3.5
181.05226	0.8
181.41754	0.7
193.01405	1.0
211.02414	1.0
213.05629	0.9
225.04100	0.7
227.03511	3.4
229.05055	1.9
237.04153	1.3
253.03535	0.7
255.03046	5.2
256.03665	1.3
257.04529	1.5
282.68024	0.8
284.03357	4.6
285.04034	16.4
286.04395	1.0
295.04520	2.9
313.05664	19.4
313.09296	1.0
314.06042	1.5
461.91965	0.8
465.06705	21.2
466.07251	2.8
479.33658	0.7
581.09412	0.8
589.25146	0.9
599.10431	8.4
600.10651	1.9
751.11462	65.0
752.11768	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	751.1155
Annotation	Loropetalin D
Peak:m/z	Relative Intensity
59.01369	1.1
61.98545	0.8
61.98824	4.6
63.02414	0.9
65.00323	2.3
67.01894	1.1
69.03450	1.7
71.01379	2.2
78.76733	0.5
79.01893	2.2
83.01383	1.2
85.02969	0.6
88.98801	1.1
95.01380	5.3
96.96017	0.9
96.99341	0.6
97.02934	1.4
98.20642	2.0
107.01392	7.3
109.02964	3.1
111.00843	2.0
113.02454	0.7
121.02982	3.3
123.00890	17.1
124.01723	1.2
125.02449	64.0
126.02801	1.8
127.04019	0.8
135.04524	0.8
136.98799	0.7
137.02426	0.7
139.00406	4.8
140.01154	2.2
141.01939	0.8
151.00365	11.7
152.28250	0.6
153.01968	0.6
163.00310	1.4
166.99860	9.5
167.03566	0.7
168.00603	4.1
169.01427	100.0
170.01741	3.8
178.99866	4.4
191.03500	0.9
193.01498	1.3
225.60486	0.6
227.03693	0.7
229.05083	0.7
229.45186	0.6
245.04448	1.0
255.02936	1.5
271.02493	2.3
273.04016	0.9
279.05176	3.5
280.05692	0.7
281.06628	4.4
283.02390	0.8
297.06180	4.3
299.01901	0.6
300.02771	3.5
301.03522	15.7
302.03790	1.3
311.76602	0.7
317.02991	0.8
449.07260	69.5
450.07547	9.7
527.64685	0.7
599.10516	2.4
600.11151	0.9
735.58807	0.7
751.11505	18.7
751.26605	0.9
752.11273	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	751.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76917	0.1
59.01378	0.5
61.98827	0.6
63.02403	1.4
65.00326	2.6
67.01894	1.6
68.99818	0.4
69.03451	2.0
71.01392	1.2
71.84919	0.1
72.99314	0.5
73.02952	0.4
75.00889	0.3
75.41479	0.2
79.01887	1.7
81.03452	0.9
83.01395	1.7
84.55078	0.2
84.59691	0.1
85.02960	0.7
86.55685	0.2
87.00899	0.2
91.01918	0.2
93.03461	0.8
95.01389	7.2
96.01759	0.3
96.99319	0.5
97.02949	1.8
98.19817	0.3
99.00918	0.2
99.04494	0.3
107.01396	8.2
107.04984	0.3
108.02234	0.2
109.02953	3.4
110.00108	0.4
111.00898	1.8
113.02428	0.2
119.01429	0.4
119.05035	0.4
121.02959	2.9
122.00096	0.2
123.00892	19.2
123.04527	0.3
124.01809	1.0
125.02450	73.0
126.02798	2.6
127.00380	0.6
127.04024	0.7
133.02910	0.3
135.00893	0.3
135.04524	0.3
136.98828	1.2
137.02443	0.6
139.00377	5.0
139.04008	0.4
140.01166	2.8
141.01985	1.0
145.02922	0.7
145.05090	0.2
147.04434	0.2
148.01645	0.2
149.02444	1.0
151.00372	13.7
152.00746	0.5
153.01971	1.0
154.99829	0.1
157.06577	0.2
159.04520	0.6
161.02470	0.5
163.00371	2.3
163.04008	0.5
164.01086	0.3
165.01910	0.3
166.99860	10.5
167.04979	0.4
168.00644	4.7
169.01425	100.0
170.01764	3.6
173.02509	0.3
173.06071	0.3
174.03154	0.2
175.00365	0.2
175.03941	0.3
177.01956	0.5
178.99858	5.1
179.03462	0.4
183.04503	0.5
187.04063	0.6
189.01971	0.3
190.02716	0.2
190.99855	0.2
191.01962	0.2
191.03482	1.1
192.00543	0.3
193.01416	1.7
199.03966	0.3
201.05563	0.9
203.03404	0.2
205.01358	0.3
205.05142	0.2
207.02968	0.7
211.04036	1.1
214.02808	0.2
226.08763	0.2
227.03520	0.8
228.04228	0.3
229.05147	0.8
229.54472	0.2
239.03481	0.3
243.03012	0.4
245.04543	1.5
246.04852	0.2
255.02988	2.5
256.03561	0.5
257.04419	0.3
263.68375	0.2
271.02460	0.7
272.03351	0.2
273.03934	0.8
279.02228	0.1
279.05060	3.6
280.05740	0.7
281.06665	5.0
282.07138	0.3
283.02463	0.7
293.66730	0.2
297.06152	4.7
298.06564	0.2
299.01956	0.2
300.02719	0.5
301.03546	18.7
302.03812	1.6
313.05225	0.2
317.03012	0.6
321.02432	0.2
405.30124	0.2
433.07632	0.5
449.07239	69.7
450.07574	8.8
497.27759	0.2
575.30768	0.3
599.10486	6.6
600.10724	1.4
679.68976	0.2
707.31726	0.3
751.11487	10.5
752.11658	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	745.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	28.9
59.01106	1.6
59.01383	24.5
69.03444	1.2
69.54958	2.4
69.55368	3.7
71.01373	2.5
73.02950	2.2
80.41553	0.9
81.03471	1.4
85.02947	6.3
88.16188	1.1
95.05034	1.4
96.96017	2.4
99.04498	2.9
107.24683	0.9
109.02938	2.8
109.06596	15.8
111.04550	7.0
120.87502	1.0
121.02928	1.6
121.89048	1.0
123.00874	3.6
123.04415	1.2
123.08118	1.1
125.02444	27.7
125.06109	1.1
133.02968	1.4
135.08176	17.7
137.02448	3.5
137.09718	15.3
138.06845	2.4
142.74538	1.0
146.03632	1.3
149.02431	2.4
149.09724	4.4
151.00403	1.7
151.03983	2.1
153.09236	6.1
156.55800	1.0
161.02399	2.2
163.11285	8.7
164.70747	1.0
165.01848	2.5
167.10765	9.8
168.11125	1.6
169.01437	10.5
175.03978	2.3
175.07594	1.2
177.01950	14.9
177.09206	27.6
178.09645	2.0
187.03958	1.1
191.10783	8.2
193.12331	100.0
194.12672	5.8
211.13385	44.1
212.13713	3.6
217.12285	4.5
233.97641	1.1
235.13385	27.1
236.13770	2.0
243.02951	2.3
249.36029	1.5
253.04909	1.5
253.14452	18.1
255.03069	3.1
255.12363	2.0
271.06259	1.5
273.04181	1.3
285.03976	1.9
287.05466	1.4
289.07196	7.9
297.13419	6.6
303.05112	1.9
305.06842	2.8
373.54028	1.1
403.12442	20.8
407.07684	17.9
408.07700	1.9
423.07159	3.5
425.08981	2.8
441.08237	2.3
467.10120	1.9
593.13062	3.8
776.73004	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72359	0.2
61.98830	100.0
65.87984	0.2
71.54969	0.2
96.14306	0.2
116.92879	0.5
123.01017	0.2
125.02471	0.8
157.98885	0.2
167.03569	0.5
169.01459	0.6
226.40782	0.2
227.70895	0.2
232.24905	0.2
250.56772	0.2
255.23361	0.5
303.04956	0.2
343.84348	0.2
356.59259	0.2
524.45410	0.2
580.04791	0.2
605.89490	0.3
606.48633	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	12.1
65.03938	1.1
75.87560	0.9
81.03454	2.5
83.01382	3.5
93.03452	3.1
95.05009	1.4
97.02944	2.7
105.03482	2.0
107.01411	1.1
109.02946	15.7
111.00879	1.6
121.02930	7.1
123.04493	6.6
124.01632	1.5
125.02449	100.0
126.02785	3.5
127.96904	1.0
133.02962	2.2
134.46510	1.1
135.04509	3.1
137.01462	1.7
137.02452	15.9
139.04024	3.0
145.02945	3.2
147.00902	1.6
149.02428	8.6
151.04008	7.8
154.99779	1.2
159.04530	4.1
161.02438	7.9
161.06078	3.5
162.02946	1.2
163.00311	3.6
163.04030	1.5
164.01091	2.1
165.01904	4.7
167.03461	2.3
167.07150	1.2
169.01439	18.5
174.03297	1.3
175.00407	2.4
175.03979	9.1
176.01106	1.2
177.01923	78.5
178.02255	5.7
179.03491	3.7
183.04550	1.3
185.06018	1.7
187.04070	5.3
188.04715	1.4
189.01842	1.5
191.03474	1.4
193.01361	3.3
193.05090	1.2
199.03999	3.2
201.05595	2.3
202.90407	1.3
203.07112	6.3
205.01393	1.4
205.05063	4.6
211.04004	1.9
213.05559	2.4
214.02905	1.1
215.03444	1.5
216.08611	1.2
217.05054	3.3
219.02960	2.0
225.05734	1.6
227.03450	3.6
227.06996	1.7
229.05017	3.2
243.02963	11.3
245.04431	2.0
245.08221	8.2
253.04979	2.5
253.56795	1.4
255.02936	8.5
255.05147	1.9
256.03745	5.3
257.04388	2.9
261.04025	4.6
269.04498	3.1
271.06119	8.6
273.04144	2.1
281.04648	2.3
283.02469	2.9
284.03192	1.3
285.04031	4.8
287.05548	4.1
289.07187	44.5
290.07428	2.9
297.03989	3.7
301.03506	1.5
303.05081	11.7
305.06665	1.5
315.05066	3.0
333.90384	1.1
339.08667	2.6
381.10019	1.7
389.06766	5.8
407.07721	80.4
408.08102	11.0
423.07135	9.4
424.07736	1.5
425.08664	2.7
441.08273	11.7
442.08795	1.3
449.08707	5.5
467.09735	15.0
468.10031	1.7
485.86316	1.3
557.10809	1.5
559.08447	6.8
575.11823	5.7
575.84174	1.3
576.11841	1.1
577.09930	4.1
593.13123	12.4
594.13293	2.7
619.10431	2.7
620.11273	1.5
661.86530	1.3
724.33783	1.2
745.14355	7.6
746.13800	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40545	0.8
57.03448	23.6
59.01381	25.3
60.63141	0.9
66.71398	0.9
69.03447	2.2
69.52949	5.6
71.01388	1.6
71.57413	1.0
73.02939	2.2
79.24682	0.8
81.03503	0.9
83.01392	1.1
83.04994	1.1
85.02952	4.4
93.03459	1.2
96.96024	1.6
97.02921	1.7
97.06614	1.1
98.19894	1.7
99.04514	2.4
109.02956	3.0
109.06590	12.8
111.04535	9.0
121.06583	1.2
123.00870	3.1
123.04496	2.8
123.08151	2.1
124.01685	1.2
125.02444	23.1
125.06022	1.1
135.08154	19.7
137.02467	3.8
137.09724	15.2
138.06862	2.2
145.02885	1.0
149.02460	1.6
149.09749	5.6
151.00359	1.5
151.03986	2.2
153.09212	5.2
159.04520	0.9
161.02463	2.0
161.05992	1.6
163.04048	1.1
163.11301	11.0
164.11584	1.4
165.01865	1.2
167.10768	8.6
169.01389	8.5
175.00229	1.0
175.04051	1.3
177.01926	13.0
177.09210	27.1
178.09528	1.3
187.03952	1.5
191.10776	7.2
193.12329	100.0
194.12685	6.0
205.05121	1.2
211.13385	45.4
212.13702	3.4
217.12318	4.3
235.13388	24.4
236.13638	2.5
243.02948	1.8
245.08333	1.6
253.14452	17.1
255.03024	2.3
255.12341	2.3
261.03967	1.2
271.06140	1.7
289.07126	9.2
297.13406	10.3
303.05002	1.7
304.05548	1.0
305.06696	1.8
306.82236	0.9
401.98764	0.9
403.12463	19.6
404.12735	1.7
407.07678	12.5
408.08154	3.5
423.07352	3.0
425.08447	1.9
441.08102	1.7
453.10443	1.0
467.09921	2.4
559.08685	1.6
593.13037	3.1
594.12878	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.0
59.01371	1.6
60.24291	0.7
61.98834	8.0
67.01893	1.1
69.03452	0.9
72.49698	0.7
81.03451	2.5
83.01396	3.0
85.02962	0.9
93.03489	1.1
95.01395	1.2
95.05041	1.6
96.96026	4.0
97.02953	2.6
98.19868	1.5
101.83280	0.9
107.01393	2.2
109.02951	10.1
111.00852	1.1
112.16251	0.8
121.02912	1.5
123.00909	2.8
123.04500	5.1
124.01684	1.4
125.02448	100.0
126.02748	3.9
127.49945	0.7
135.04544	2.3
137.02440	15.2
139.00339	1.0
139.03987	1.1
145.02953	15.0
146.03716	1.7
149.02473	4.0
150.03230	0.9
151.00415	1.0
151.03976	6.2
159.04535	4.2
161.02484	1.8
161.06033	4.6
164.01178	1.5
165.01950	3.2
166.99908	2.0
167.03542	1.5
168.00693	1.9
169.01421	79.8
170.01729	3.5
175.03934	1.1
177.02074	1.1
179.03535	4.0
185.06062	2.1
187.04012	4.3
188.04741	2.3
193.01401	8.7
199.07640	1.2
201.05670	1.0
202.06396	1.6
203.07133	7.2
205.01370	1.5
205.05064	4.6
211.04102	0.8
221.08221	1.8
227.07133	3.2
229.05003	0.9
245.08173	11.2
253.05054	3.8
259.06030	2.1
271.06113	22.1
272.06610	2.7
275.01822	1.2
275.05014	0.8
287.01910	1.2
287.05786	0.9
289.07172	40.8
290.07455	3.9
297.04047	1.3
301.03409	0.8
303.05200	1.6
321.02530	2.9
331.04758	1.8
423.07193	13.5
424.07703	2.9
425.08798	1.1
441.08264	71.7
442.08560	8.9
497.34402	1.0
574.79633	0.8
593.09332	70.0
594.09644	14.3
753.53217	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	11.1
69.38300	9.4
75.64867	1.2
81.03457	2.7
83.01388	4.1
84.63635	1.3
88.28121	1.0
93.03466	2.8
95.05057	1.5
97.02925	1.5
107.05095	1.5
109.02946	12.4
111.00889	1.2
121.02944	4.7
123.04543	8.2
125.02448	100.0
126.02786	2.7
131.05063	1.1
132.89680	1.1
133.02940	1.7
135.04483	3.0
137.02437	16.1
139.04010	2.4
145.02946	4.1
147.04434	1.2
147.25294	1.1
149.02444	11.3
151.04036	8.6
159.04536	4.6
161.02448	4.9
161.06062	3.0
163.00400	2.8
163.04012	2.7
164.01140	2.6
165.01926	4.6
166.37648	1.2
167.03488	2.6
168.61449	1.1
169.01431	15.7
173.06046	1.6
175.00410	2.2
175.04016	8.2
176.01088	1.2
177.01924	78.7
178.02209	2.5
179.03473	4.2
185.06079	3.6
187.03976	6.6
188.04709	2.3
191.03481	1.9
193.01447	3.1
199.04002	2.3
201.05417	1.1
203.07114	5.0
205.01360	1.5
205.05016	3.9
209.06102	1.2
211.03957	2.6
213.05527	1.6
215.03464	1.6
217.05144	3.3
219.02937	2.0
221.08282	1.3
227.03517	2.5
227.07069	2.1
228.04369	1.7
229.04950	2.2
243.02951	10.1
243.06558	1.7
245.08113	9.2
253.05045	2.7
255.02945	11.3
255.05161	1.7
256.03653	6.5
257.04684	2.3
261.03946	1.9
269.04532	3.1
271.06171	10.5
273.03964	1.6
281.04498	3.4
283.02393	3.3
285.03998	6.3
287.05692	2.7
289.03925	2.4
289.07166	46.5
290.07465	3.1
297.03955	1.6
301.03387	1.7
303.05048	11.7
305.06625	3.4
306.79294	1.2
315.05380	1.4
327.06625	1.4
339.08621	2.5
381.09735	1.8
389.06641	5.6
407.07684	72.7
408.07974	10.2
423.07135	5.5
425.08932	1.2
441.08228	10.2
442.08447	1.4
449.08722	4.9
457.07254	1.3
467.09787	11.8
530.29370	1.3
538.75476	1.2
550.06482	1.3
559.08807	6.1
575.11926	3.7
576.12128	1.8
577.09790	4.6
593.13025	11.9
594.13531	2.8
619.10754	4.0
620.11365	1.9
631.62488	1.3
745.14301	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19652	0.5
56.40423	0.6
59.01370	0.8
60.99309	16.0
61.98829	2.6
71.53621	0.7
73.07327	0.5
78.95898	1.1
80.96503	0.6
87.00916	0.5
88.00409	3.0
88.98810	100.0
89.02448	10.4
89.99136	1.5
96.96040	0.9
101.02451	0.6
124.80598	0.6
125.02463	2.7
125.83271	0.5
152.99588	0.6
167.03508	0.6
169.01379	0.8
171.10283	1.7
177.01961	0.6
179.07092	0.5
193.18222	0.5
197.11826	0.7
211.13451	0.7
242.31618	0.6
255.23277	0.5
265.14786	0.6
269.73654	0.5
293.21017	0.7
397.13229	1.0
425.94955	0.7
426.00647	0.7
508.74707	0.5
626.24707	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91882	3.4
59.01376	29.6
61.98823	30.0
67.55821	3.6
71.01366	19.1
71.55132	6.3
71.55482	3.6
72.99293	6.1
73.02950	5.9
73.95870	3.3
75.00860	7.0
78.95879	5.9
79.71982	3.1
83.01377	4.6
85.02962	13.8
88.98827	6.0
89.02462	11.3
96.95998	20.1
97.02899	5.1
99.00915	4.8
100.68348	3.2
101.02459	14.6
109.02930	4.6
109.06618	3.5
113.02457	14.3
119.03566	4.4
121.02917	4.5
124.83961	3.2
125.02433	37.7
137.02406	6.8
139.04031	3.7
151.00346	6.7
161.02489	3.6
163.04015	5.1
165.12753	4.0
165.43761	3.7
167.03484	5.4
169.01428	37.2
171.10327	5.0
177.01945	7.2
179.05704	3.6
189.57065	3.6
193.01262	3.6
197.11778	13.3
206.98204	4.5
209.11841	4.9
291.19662	21.2
309.20676	100.0
310.21158	7.4
316.02002	4.5
321.82318	4.0
396.01074	3.3
397.13412	35.7
415.14554	32.1
707.35315	4.2
743.32043	39.2
744.33307	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	743.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	57.5
61.98839	47.2
71.01391	21.3
71.23263	10.9
72.99300	6.4
73.02939	5.5
74.16161	4.8
83.05036	6.1
85.02954	9.9
85.78013	5.2
87.00856	7.8
88.98811	16.2
89.02433	12.6
96.96020	17.3
97.02973	5.2
101.02454	23.1
113.02463	11.3
121.06566	5.4
123.00913	6.5
125.02456	50.4
148.05269	7.1
165.05666	7.1
167.03500	9.5
169.01431	53.5
171.10286	7.2
177.01878	8.5
179.05585	7.4
197.11798	36.6
199.10028	6.1
199.13315	6.9
201.11226	6.1
209.11803	17.5
211.13385	10.3
227.12817	6.4
289.18155	10.3
307.19202	15.7
309.20691	100.0
310.20889	9.0
397.13531	29.8
415.14651	45.0
440.09296	7.1
495.33325	8.7
707.35199	14.0
710.70892	6.3
743.31519	47.8
744.32721	13.1
759.13464	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	742.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69776	0.2
59.01373	0.2
61.98829	100.0
62.98541	0.3
69.43815	1.1
71.01386	0.4
87.72170	0.1
89.02465	0.2
91.88108	0.1
101.02460	0.2
113.02423	0.3
125.02463	0.4
125.09821	0.1
137.35867	0.1
152.99632	0.2
169.01476	0.3
171.10284	0.2
178.92720	0.1
201.11279	0.9
202.11661	0.3
209.11800	2.0
210.12160	0.8
227.12920	0.3
235.08194	0.3
243.16093	0.2
248.06718	0.1
253.09406	0.3
277.21704	2.6
278.22107	1.7
279.22211	0.2
281.24866	0.2
282.25204	0.2
317.69531	0.2
397.13565	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42387	1.0
57.03448	20.7
59.01375	24.5
66.45855	1.1
71.01391	2.3
71.52866	1.1
73.02942	1.7
85.02967	6.2
88.04020	1.3
99.04528	4.5
107.67223	1.1
109.06598	15.2
111.04551	6.3
121.06616	1.4
123.08140	2.4
125.02405	6.1
128.65265	1.1
132.03012	2.2
135.08159	20.8
137.02374	1.3
137.09723	14.0
138.06830	2.7
149.09692	5.4
153.09189	5.7
163.11278	11.2
167.10759	10.1
169.01431	2.7
175.07658	1.3
175.11212	1.4
177.01921	3.8
177.09206	22.8
191.10699	5.6
193.12326	100.0
194.12648	5.9
211.13367	44.9
212.13747	1.8
217.12308	4.5
235.13391	25.2
235.15814	1.6
236.13702	1.9
253.14438	20.9
254.14888	1.1
255.12473	2.0
293.53165	1.2
297.13416	9.4
321.35126	1.4
396.10495	1.5
423.07043	2.1
493.09277	1.5
604.39453	1.2
743.25128	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	742.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39646	0.1
54.73515	0.2
56.97304	0.1
59.01381	0.3
60.99306	1.0
61.98830	100.0
69.51610	0.3
69.52025	0.7
71.01390	0.2
75.31168	0.1
86.82941	0.1
87.00881	0.4
88.00394	1.0
88.98811	6.1
89.02440	0.7
98.19906	0.3
117.90030	0.1
125.02478	0.2
171.10260	0.2
201.11417	0.4
209.11768	0.8
210.12172	0.4
227.12968	0.2
235.08189	0.2
253.09334	0.2
257.80148	0.2
277.21631	0.7
278.22214	0.5
293.21295	0.2
336.03201	0.1
397.13556	0.2
398.13983	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72806	1.3
58.62341	1.2
59.01385	3.3
61.73548	1.5
61.98812	3.9
69.55770	1.6
78.95903	54.7
87.13889	1.4
96.96958	4.8
97.10285	1.6
110.98519	7.0
139.90910	1.8
150.52464	1.5
152.99580	53.1
167.01129	2.4
171.00612	3.6
195.13921	9.2
209.11845	2.5
227.03270	4.0
235.18988	1.5
253.21706	26.9
255.23242	9.5
267.19705	4.2
275.20050	2.3
277.21713	88.5
278.22043	8.5
279.23282	16.0
280.23621	10.2
281.24783	20.4
282.25204	5.4
283.26288	4.0
295.22775	52.4
296.23138	7.0
311.18631	2.6
413.21030	2.1
444.96619	1.4
463.24628	3.2
483.27200	8.4
505.25681	100.0
506.26007	12.2
520.32397	1.6
741.46387	42.4
742.45911	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	741.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.0
61.62164	1.2
61.98826	23.4
71.01379	5.4
71.52187	1.3
78.95911	3.3
83.05024	3.3
87.00858	1.2
89.02448	3.4
95.05061	1.7
101.02443	3.6
107.58457	1.0
111.04449	1.5
113.02420	2.1
113.89684	1.1
124.15348	1.2
125.02446	4.3
125.09722	2.3
127.11292	1.9
152.99632	1.6
161.04576	1.6
163.11304	3.4
165.12842	2.8
169.01393	2.9
169.08554	1.3
171.10283	3.0
176.25636	1.2
176.58322	1.1
191.48566	1.1
199.09711	1.6
201.11320	47.8
202.11696	2.4
209.11810	100.0
210.12120	7.0
211.13467	1.6
227.12852	14.0
228.13123	2.0
235.08301	4.4
253.09290	17.4
254.09500	1.8
256.71579	1.3
277.21713	91.2
278.22067	12.1
281.24963	1.5
293.21210	2.8
437.20358	1.8
445.20819	2.0
668.76593	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
59.01393	7.2
61.55332	1.1
61.98835	12.3
65.74476	1.0
71.01371	5.3
71.53418	2.1
78.95898	3.0
79.23631	1.2
81.03437	1.3
83.05031	3.4
87.00882	1.8
89.02459	2.9
100.70074	1.1
101.02435	3.8
101.32342	1.2
102.58260	1.1
113.02450	3.6
125.02445	3.2
125.09739	2.5
127.11234	1.5
152.99579	1.9
155.10869	1.4
161.04530	1.3
163.11307	3.6
165.09166	1.4
165.12863	1.9
169.01392	1.9
171.10355	1.3
181.12337	3.3
199.09755	1.5
199.13408	2.4
201.11330	43.1
202.11618	2.0
207.10220	2.4
208.10597	1.7
209.11835	92.9
210.12196	6.0
225.11404	6.0
226.11662	3.0
226.88945	1.3
227.12920	12.0
235.08168	5.6
243.12390	2.6
244.12596	1.5
253.09261	16.2
264.27029	1.2
275.54431	1.3
277.21719	100.0
278.22116	12.9
279.22418	1.6
437.19809	1.8
445.21011	1.7
505.25677	2.7
656.32086	1.7
741.30536	2.2
741.43304	17.7
742.43524	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	741.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85666	7.3
59.01378	48.2
61.98830	100.0
71.01381	28.2
71.56123	9.9
72.99284	8.2
73.02973	8.6
75.00838	10.1
78.95889	9.7
85.02962	10.5
87.00836	9.5
88.98779	12.0
89.02441	20.8
96.95999	51.1
96.96973	13.8
101.02433	11.6
113.02419	11.9
125.02466	55.1
169.01448	62.7
170.01735	12.8
198.57422	7.3
209.11858	14.0
289.17944	27.1
290.18338	8.9
307.19165	38.4
315.84460	8.3
397.13281	35.2
415.14572	24.5
461.29526	10.5
527.03967	8.0
673.30853	9.9
741.31183	27.5
742.30927	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	741.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25618	2.6
58.00604	2.6
59.01360	13.0
61.98815	10.2
62.80297	2.9
71.01366	10.1
71.52515	3.2
71.52945	3.4
73.94521	2.8
78.95889	3.6
83.04962	3.3
89.02441	4.2
91.91545	2.6
96.00170	2.9
96.00804	2.6
97.06593	6.5
101.02397	4.1
111.08123	5.9
113.02435	3.2
125.02435	12.8
131.78278	2.8
151.11298	18.6
152.99542	3.5
167.03467	3.5
169.01385	10.3
169.12346	79.1
170.12593	2.8
171.10292	2.9
177.02098	3.5
197.11827	23.9
199.13350	3.9
209.11809	14.6
210.12158	6.1
210.97986	3.1
211.13466	4.9
213.11400	13.2
227.12785	7.1
243.82521	2.6
253.09148	8.5
277.21756	6.5
291.19568	5.7
293.21069	6.0
294.21542	5.5
295.22620	11.3
296.23224	3.7
309.20749	8.4
314.33377	3.2
345.93106	3.0
449.20258	3.7
505.25302	3.6
741.40662	100.0
742.41510	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92074	1.6
57.03444	4.2
57.84104	2.0
59.01381	36.7
61.15152	1.7
65.50275	1.5
66.28165	1.7
66.95245	1.9
69.03454	2.9
70.00550	1.5
71.01385	24.8
71.54382	2.1
72.99297	6.0
73.02962	2.0
75.00881	17.6
85.02942	19.7
87.00867	8.3
89.02429	4.6
95.01372	6.0
96.95995	3.3
99.00891	11.5
99.04501	2.9
103.00368	4.0
104.36885	1.6
107.85365	1.6
113.02457	22.6
115.00388	2.2
121.02948	2.9
123.00752	1.5
124.87984	1.6
125.02450	9.7
129.01958	2.8
137.09654	4.4
139.19325	1.7
161.09795	1.8
163.04037	2.0
169.01437	4.9
177.01978	2.5
179.10768	6.1
181.08652	5.3
181.30174	1.8
249.06158	16.6
250.06389	2.0
267.07239	11.7
429.17737	2.9
490.02979	1.9
565.21484	4.1
723.23505	6.7
741.24646	100.0
742.25073	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54501	10.2
59.01380	55.7
61.98827	100.0
66.19604	7.4
68.99555	9.7
71.01369	29.4
73.02974	9.6
83.01385	10.5
85.02931	13.9
89.02431	19.2
96.95993	31.2
99.00896	11.1
99.32536	9.4
101.02431	25.5
109.02975	8.9
112.98602	9.2
113.02462	8.4
116.92870	15.6
125.02437	55.6
137.02390	10.4
167.03450	10.3
169.01476	47.7
198.14212	7.9
207.09862	9.1
209.11757	11.1
284.31854	9.4
289.18018	46.1
307.19183	46.3
308.19299	9.5
397.13376	38.6
415.14560	30.3
577.69330	9.4
605.69318	11.0
705.33844	11.7
741.30530	50.9
742.30774	10.4
771.54071	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	741.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50047	0.5
57.61052	0.5
57.93475	0.5
59.01360	1.3
61.98829	19.9
63.99247	1.7
69.73220	3.2
71.01378	1.5
77.03967	2.3
83.05007	0.7
89.02454	0.5
93.03465	0.8
98.20603	1.2
107.09215	0.6
121.02954	100.0
122.03289	3.4
125.02469	4.2
137.02467	1.0
142.35130	0.5
165.01924	72.6
165.12869	0.6
166.02284	2.6
167.03484	1.6
169.01434	2.5
171.10294	1.0
177.01956	1.1
180.05850	0.6
181.06572	2.3
183.13969	0.6
191.03542	1.1
197.11801	1.2
199.13373	1.5
200.13756	0.6
209.11810	9.3
210.12149	3.8
211.13460	3.5
212.13759	1.6
213.07980	0.6
225.05525	1.5
227.12897	2.3
228.13171	0.7
235.16862	0.5
253.09305	2.0
254.09578	0.9
275.19998	1.0
291.19608	1.0
293.21259	4.8
294.21527	3.2
305.06573	0.7
309.20715	1.1
313.07233	1.4
357.06152	9.5
358.06589	0.9
741.14673	4.8
741.41650	1.5
742.15045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.7
60.01715	0.1
61.98829	100.0
71.01385	0.3
77.80767	0.1
80.84962	0.2
83.05009	0.2
86.01792	0.2
87.00872	0.2
98.19880	0.4
101.24241	0.1
115.00383	0.3
120.57407	0.1
125.02444	0.8
138.38202	0.1
159.53642	0.1
169.01471	0.5
175.02498	0.4
183.50446	0.1
330.40509	0.2
564.17157	0.2
566.29700	0.2
596.67426	0.2
596.99835	0.2
678.50079	0.2
679.50525	0.6
680.50409	2.2
740.15436	0.2
740.48828	1.3
741.14502	0.2
741.49481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87142	0.9
57.03448	1.9
59.01377	6.8
59.84781	1.0
61.98831	87.2
62.51436	1.0
62.98533	1.6
63.99248	4.7
66.41962	0.8
69.32327	1.0
70.56875	0.9
70.71838	1.9
70.72189	1.5
71.01388	5.3
72.60290	0.8
74.09566	0.9
75.79671	0.9
78.95935	1.2
80.02686	1.5
81.03455	2.0
83.05011	6.1
83.45464	0.8
84.05363	1.2
85.02920	1.4
87.57597	1.0
88.98804	3.1
89.02437	4.5
99.42030	0.9
101.02441	5.7
111.08108	1.3
113.02460	1.6
119.03484	1.0
121.02946	1.3
125.02448	12.0
128.96234	1.0
134.91866	0.9
139.04059	1.3
155.74432	1.0
161.04535	1.6
163.11311	5.1
164.11545	2.7
165.12820	2.8
167.03462	2.3
169.01445	10.0
171.10233	3.4
177.01906	2.2
181.12297	2.0
183.13989	1.1
185.11784	1.8
187.04053	1.3
193.12138	0.9
195.13901	6.2
196.14230	2.7
197.11742	3.2
199.13416	2.8
209.11821	100.0
210.12161	48.5
211.13470	14.5
212.13768	7.0
223.13443	4.8
224.13759	2.3
227.12904	13.6
228.13272	6.2
235.08223	2.9
247.20607	1.3
253.09317	18.1
254.09592	5.3
275.20157	5.3
276.20398	3.0
277.21674	1.5
291.19595	4.1
292.19855	2.2
293.21225	58.1
294.21564	48.7
295.21860	3.7
305.06677	1.2
309.20621	5.5
310.21124	4.2
446.21362	1.4
654.39996	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61514	0.6
57.77299	0.6
58.46882	0.6
59.01369	1.6
61.98830	100.0
67.79366	0.6
71.01408	1.1
71.55098	0.6
78.87392	0.6
91.90866	0.6
99.00897	0.7
99.94601	0.6
124.65739	0.7
125.02452	2.8
157.65932	0.7
168.40076	0.6
169.01434	2.8
171.10298	2.2
191.03801	0.7
197.11914	0.7
199.13425	1.4
200.13887	0.8
209.11914	4.6
210.12222	2.5
211.00926	0.6
211.13414	5.7
212.13792	3.5
213.15077	1.3
227.12959	2.1
227.20403	0.6
235.08253	0.9
253.09354	2.1
291.19821	1.8
293.21240	4.9
294.21603	3.1
309.20831	2.9
310.21118	0.9
527.29248	0.7
594.15851	0.7
635.17151	0.9
724.42761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71039	0.3
56.12673	0.3
59.01374	0.8
61.98830	100.0
66.49581	0.3
68.99577	0.5
71.01411	0.5
74.29089	0.3
98.19858	0.7
101.02497	0.5
125.02441	2.6
137.02504	0.4
140.29784	0.3
149.02426	0.4
165.12840	0.4
167.03496	0.7
169.01456	1.2
169.12303	0.3
177.01947	0.5
183.13957	1.0
184.14217	0.6
195.13945	0.4
199.13431	0.7
209.11844	3.0
210.12218	0.4
211.13411	2.1
212.13672	0.6
213.15025	0.3
227.12866	1.1
228.54347	0.3
231.23183	0.3
253.09355	1.0
260.95395	0.3
277.21887	0.5
279.23099	0.3
291.19830	0.6
293.21252	1.0
294.21634	0.7
295.22757	2.2
301.03574	0.3
309.20648	0.7
310.21194	0.5
323.31577	0.3
323.47418	0.3
336.02045	0.3
364.86978	0.3
396.71451	0.3
532.28967	0.3
551.19385	0.5
588.37738	0.4
627.20862	1.8
637.52521	0.3
740.43103	1.2
772.16724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23405	2.5
61.98817	11.1
71.51719	3.2
78.95898	23.1
95.56555	2.8
110.98520	16.6
111.08144	7.1
122.97564	3.8
151.12848	2.6
152.99542	3.8
167.01152	7.0
197.11830	25.4
227.12907	2.5
277.21866	6.7
279.23297	100.0
280.23608	11.1
281.24857	18.4
291.19608	8.3
309.20645	24.3
310.20938	3.0
447.25101	7.2
477.22055	4.3
549.22418	3.4
739.45532	33.8
740.44720	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	739.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.5
59.01384	10.4
61.98828	16.0
66.33665	1.6
70.55616	3.9
70.55959	2.9
71.01375	10.4
71.05005	3.7
73.02943	1.7
78.95901	17.8
81.67197	1.6
83.05025	2.1
85.02943	3.2
87.00888	3.3
89.02429	3.1
92.25875	1.8
97.02941	3.9
97.06603	3.5
99.00883	13.5
101.02448	5.5
109.06592	2.2
110.03744	2.2
110.26240	1.8
113.02418	3.3
114.21498	1.9
125.09692	8.2
127.11231	1.8
147.37196	1.7
152.99562	9.2
163.11229	9.1
171.10266	17.5
181.12311	13.6
195.13831	2.1
197.11816	3.1
199.13373	15.6
201.11290	6.4
207.10234	37.0
209.11877	4.7
211.13387	3.5
216.40323	2.5
225.11304	59.1
226.11716	3.2
227.12849	2.7
235.08205	3.2
243.12399	7.3
253.09274	8.4
277.21692	89.5
278.22058	10.9
291.19769	2.1
293.21188	10.0
295.22675	3.7
300.91074	1.9
351.42966	2.1
429.20834	2.7
445.20105	2.6
461.20248	6.9
479.21356	2.8
491.71048	1.9
721.41687	8.8
739.42664	100.0
740.42950	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	739.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03430	2.0
59.01380	14.0
61.98827	30.8
66.20158	0.8
66.26884	0.8
68.92868	0.8
69.03436	1.3
70.89317	0.8
71.01379	18.0
71.05016	4.8
73.02937	3.5
78.95911	2.1
83.05022	1.5
85.02940	3.2
87.00867	2.7
89.02443	8.4
95.01356	1.2
95.05035	1.1
96.96017	4.8
97.02937	3.7
97.06591	4.5
98.19858	2.0
99.00874	19.3
101.02445	10.0
109.06606	1.6
110.03734	1.0
113.02450	5.3
119.03495	2.0
123.08144	2.0
125.02429	3.8
125.09731	8.3
142.02699	1.5
143.03467	1.5
145.10167	0.8
161.04518	3.2
163.11281	12.9
169.01321	0.9
171.10260	9.8
179.05550	1.5
181.12344	22.9
182.12646	0.9
189.29359	0.8
197.11819	1.8
199.13382	8.7
201.11316	3.1
207.10251	24.8
208.10605	1.9
211.13364	1.5
225.11307	30.5
226.11694	1.6
227.12952	1.6
230.13513	0.8
235.08238	4.8
243.12350	14.3
253.09282	5.3
277.21704	45.0
278.22058	3.5
281.24835	23.0
282.25131	1.2
287.07819	0.9
291.19620	1.6
293.21210	2.9
305.08719	1.2
309.20825	0.9
397.13467	27.1
398.13861	1.6
415.14490	7.6
426.57047	0.9
461.20209	3.8
468.67960	0.9
479.21356	4.8
679.38776	1.3
739.42670	100.0
740.43091	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	739.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09552	1.1
57.03432	1.4
59.01377	9.4
59.63750	1.1
61.98587	1.1
61.98833	11.0
64.98602	1.1
66.11000	1.3
71.01384	9.8
71.04998	2.4
71.55135	1.9
73.02921	1.7
78.95490	1.1
78.95908	14.4
83.01327	1.1
85.02926	2.0
87.00887	1.5
89.02440	4.2
89.24413	1.0
90.18285	1.3
95.05010	1.6
96.96935	1.7
97.02965	3.4
97.06589	2.3
99.00870	10.2
101.02427	4.7
109.06583	2.8
111.04505	1.5
113.02412	1.7
123.08151	2.0
125.02441	1.7
125.09682	6.8
127.11237	1.3
135.08153	1.4
136.05240	1.3
142.02739	1.5
152.99588	7.6
163.11292	8.5
169.01378	1.4
169.12323	1.5
171.10275	12.8
181.12329	13.4
190.94928	1.2
199.13368	9.9
201.11317	5.4
207.10266	28.8
208.10553	1.6
209.11758	2.1
211.13356	2.0
225.11320	48.6
226.11746	2.2
227.12878	1.6
235.08199	1.7
243.12401	7.2
253.09399	6.5
277.21704	84.8
278.22098	7.7
279.23117	3.3
293.21292	5.9
309.13626	1.3
407.81848	1.4
429.20490	1.7
443.18961	2.6
445.19974	3.0
461.20435	8.9
721.41522	6.7
739.42603	100.0
740.43005	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	739.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85643	0.8
57.03456	0.8
59.01388	7.5
61.69649	0.7
61.98831	100.0
70.97994	1.5
71.01385	7.3
73.02956	1.0
79.62743	0.8
83.01395	1.0
83.05000	2.0
85.02924	1.7
87.00884	2.2
89.02422	4.1
97.06580	1.2
101.02483	5.5
109.06615	0.9
111.08148	2.6
113.02440	2.9
113.09763	1.2
119.03481	1.6
125.02438	2.1
125.09562	0.8
161.04533	1.8
163.11203	1.3
165.11565	1.0
165.12846	8.7
169.01346	1.2
169.12349	1.2
171.10277	1.0
183.13889	57.1
184.14200	2.9
195.13922	8.0
197.11765	2.9
199.13345	2.8
205.12343	1.2
209.11803	26.4
210.12126	1.2
211.13373	29.8
212.13812	1.8
222.58693	0.9
223.13425	7.0
225.11246	0.9
227.12892	9.4
235.08151	4.0
235.17032	1.2
253.09273	15.1
269.61322	0.9
275.20135	6.8
279.23224	3.0
280.23578	2.5
281.24100	1.3
291.19647	5.4
293.21219	59.5
294.21527	5.2
295.22766	1.2
307.72794	0.9
309.20667	12.6
397.13391	2.3
398.13806	2.9
399.13809	2.7
416.15134	1.3
417.15259	1.3
463.21512	2.0
545.29694	1.1
581.95929	0.9
739.42694	74.7
740.42938	17.8
754.56805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
59.01372	9.5
61.98832	100.0
67.91491	1.2
69.03450	1.6
71.01379	8.2
71.52977	1.4
78.95908	2.1
83.05029	3.5
85.02927	1.2
87.00885	1.5
89.02423	3.3
95.01324	1.0
101.02435	6.0
109.02945	1.1
109.06603	1.9
110.66111	1.1
111.08143	1.7
113.02458	2.8
118.86034	1.3
125.02448	10.3
137.02402	1.5
152.99597	1.4
161.04491	2.2
163.11246	2.0
165.12738	1.2
167.03488	3.3
169.01433	6.1
169.12378	3.8
171.10222	2.2
177.01927	2.6
183.13831	5.5
185.11803	4.7
195.13849	5.0
197.11807	8.3
199.13388	9.1
207.10229	3.3
208.10629	1.6
209.11841	53.4
210.12094	4.3
211.13391	72.9
212.13733	6.3
223.13422	2.5
225.11304	2.0
227.12872	17.4
228.13344	1.5
235.08173	4.9
253.09296	18.3
275.20148	4.3
279.23386	1.4
289.10645	1.3
291.19659	13.4
292.20108	2.0
293.21234	55.9
294.21466	7.3
309.20709	28.5
310.21295	1.9
386.20526	1.1
445.20908	2.2
447.22290	2.9
463.21899	3.0
739.40930	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	739.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35711	0.4
55.01873	0.6
57.03427	1.7
59.01379	13.0
61.98829	2.9
67.01891	0.6
69.03458	2.8
69.46236	0.5
71.01383	11.0
71.52493	0.6
72.99313	1.2
73.02955	2.2
75.00874	0.6
79.01911	0.4
81.03464	2.1
83.01380	2.6
83.05001	0.8
84.02135	1.0
85.02948	2.9
86.15898	0.4
87.00874	1.7
89.02451	7.5
89.78297	0.5
91.01225	0.4
93.03452	1.6
95.01385	2.2
96.95995	1.6
97.02940	2.0
97.06586	6.9
99.00876	1.0
99.04507	1.0
101.02438	7.1
104.65417	0.4
107.01390	2.4
109.02953	1.6
111.00874	0.9
113.02439	4.5
117.03499	0.5
119.03497	1.9
119.05000	1.9
121.02937	1.2
123.00883	6.6
123.04536	3.9
124.01657	0.7
125.02450	37.4
125.09689	1.7
126.02779	4.0
127.02907	1.2
137.02434	0.8
137.09695	0.7
139.00357	1.8
139.03957	0.6
140.01129	1.4
141.01907	1.2
143.03464	1.2
145.02969	1.7
149.02481	0.9
150.03201	0.5
151.00362	4.8
151.03960	1.3
153.01999	0.6
161.02441	0.8
161.04591	1.4
163.03912	0.6
163.11324	0.5
165.02029	0.5
165.12912	0.6
166.06335	1.8
166.99789	0.8
167.03481	6.9
168.00647	2.1
168.03813	0.8
169.01427	42.3
170.01790	4.7
171.01869	2.0
171.10284	5.1
175.11287	0.8
177.01921	5.9
177.12875	0.7
178.02205	0.6
179.03531	1.2
179.05597	2.2
181.08684	0.7
185.11755	0.8
189.01944	3.2
190.02643	0.8
191.03453	1.2
193.01382	1.5
193.12335	10.7
194.12596	0.9
197.15416	0.4
203.03523	0.6
209.11850	0.9
211.02451	0.6
211.13490	2.5
216.00645	0.8
217.01428	3.0
219.02985	1.5
225.14932	15.3
226.15265	0.9
229.08670	0.7
231.03110	0.6
235.08250	1.4
243.16019	8.5
244.16595	0.7
253.09248	0.9
253.14444	1.0
271.06140	1.6
273.07687	7.5
274.07968	0.7
281.04514	0.6
283.06149	0.7
287.38040	0.5
291.19626	1.1
297.07721	0.8
299.05411	1.0
303.05060	0.6
311.05606	0.6
313.05725	0.8
321.02383	0.6
323.05774	2.4
341.06693	7.2
341.23312	100.0
342.07053	1.2
342.23663	12.2
347.07666	0.5
381.09720	0.8
397.13470	9.0
398.13541	0.7
410.73285	0.5
415.08878	1.0
415.14545	21.5
416.14862	1.9
417.09598	2.2
418.10535	0.6
425.08755	9.3
426.09204	2.0
435.11066	8.1
436.11743	2.0
477.08472	0.6
557.16199	0.9
587.13538	23.9
588.13641	5.0
739.14697	4.1
739.26550	5.3
739.39349	2.3
740.15454	1.7
740.26978	1.5
740.38318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53553	0.6
57.03432	2.0
59.01100	1.2
59.01379	16.4
61.98824	6.3
65.00294	0.7
67.01897	1.2
69.03443	3.2
71.01379	11.6
71.22137	0.9
71.22517	1.1
72.99294	2.0
73.02937	2.2
74.07347	0.7
75.00877	2.0
78.95880	0.7
81.03455	2.8
83.01386	2.5
83.05025	1.2
85.02933	4.5
87.00873	3.1
89.02444	8.1
93.03459	3.5
95.01370	2.8
95.05022	0.9
96.96007	3.1
97.02952	2.8
97.06595	7.8
99.00843	1.3
101.02454	8.3
107.01413	3.5
109.02959	3.9
111.00871	1.6
111.04482	1.4
113.02446	5.0
113.81386	0.7
119.03490	2.4
119.05022	4.2
121.02966	2.2
123.00900	11.7
123.04515	8.5
124.01670	1.7
125.02444	56.8
125.09661	1.0
126.02816	4.3
137.02412	2.1
137.09656	0.9
139.00389	3.7
139.04053	0.8
140.01131	1.6
141.01950	1.5
143.03542	1.8
145.02940	2.8
149.02391	1.9
149.05908	0.7
149.66096	0.8
150.03319	1.5
151.00366	9.5
151.03955	2.6
155.03506	1.2
161.02388	0.8
163.04021	2.1
165.05545	2.9
166.06325	2.4
166.99803	1.6
167.03502	14.1
168.00629	2.2
169.01418	57.3
170.01741	5.1
171.01906	1.5
171.10231	4.2
173.04503	1.6
177.01932	9.1
179.03493	2.3
179.05591	1.9
181.08667	1.6
185.11726	1.0
189.01932	3.9
190.02681	1.2
191.03445	2.0
193.01427	1.8
193.12326	10.4
195.06554	1.3
207.10057	0.8
209.11775	1.8
211.02411	1.2
211.13403	2.5
217.01443	4.0
218.02026	0.9
219.02979	2.0
225.14970	15.6
229.04930	0.9
229.08719	1.2
231.02995	1.4
235.08102	1.1
243.15952	6.6
253.09183	0.9
255.02786	0.9
271.06128	2.6
273.07672	14.9
274.07971	1.7
283.06204	1.3
299.05637	2.8
303.05243	0.9
313.05746	1.0
318.07233	0.9
323.05560	2.7
341.06631	10.5
341.23297	100.0
342.06750	1.0
342.23651	11.5
381.09460	1.4
389.25116	1.0
394.14838	0.9
397.13422	8.2
415.14600	22.5
416.14905	2.2
417.09814	4.2
418.09738	0.9
425.08740	19.3
426.08945	2.9
435.10815	10.1
436.11542	1.7
557.16876	1.3
587.13507	30.8
588.13995	8.0
652.02924	0.8
677.27936	4.2
703.22827	1.2
739.14435	3.2
739.26178	9.5
739.37152	3.1
740.14954	1.6
740.26611	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
67.19133	0.9
71.55374	1.5
71.55721	1.3
74.02465	1.7
85.02927	1.0
96.96008	7.2
99.00880	1.4
107.01311	1.2
113.02453	2.1
120.07497	0.8
124.01662	2.2
125.02451	6.0
137.02449	3.1
149.02615	1.0
151.00395	4.9
155.79039	0.9
161.02385	1.0
164.01103	1.5
169.01418	3.7
178.99818	3.3
214.02611	4.7
242.02121	3.3
243.02936	2.4
245.09212	4.2
259.02472	4.4
270.01611	3.5
271.02457	22.3
272.02795	1.6
287.01938	14.4
288.02487	2.3
316.02222	77.0
317.02914	21.5
337.59314	1.1
449.07220	100.0
450.07693	9.7
673.12671	1.3
739.09229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
59.01379	4.2
61.98819	3.6
65.00310	1.2
67.01905	0.8
68.99810	1.2
69.03442	2.7
69.24059	8.4
69.46778	0.8
71.01376	3.5
73.02936	1.0
81.03455	6.8
83.01382	3.7
85.02949	2.1
85.18662	0.8
87.00883	0.9
88.98787	1.0
93.03452	2.5
95.01378	2.9
96.96014	1.4
97.02952	3.5
98.42568	0.9
101.02432	1.7
107.01383	10.4
109.02971	1.4
111.00853	1.8
113.02454	2.7
119.05045	6.6
123.00893	6.5
123.04527	12.2
124.01653	2.4
125.02447	100.0
126.02762	4.5
136.98795	1.3
137.02425	1.9
139.00363	2.1
139.03967	1.1
140.01151	2.7
143.03479	3.4
149.02399	1.9
151.00365	4.7
151.03856	0.9
153.01917	1.1
155.37802	0.8
163.03929	1.7
165.01907	1.3
166.06247	1.0
166.99773	1.2
167.03484	33.7
168.00618	3.4
168.03828	1.9
169.01422	95.1
170.01726	5.2
176.03969	1.0
177.01973	1.8
179.03584	1.4
189.05518	2.4
191.03554	2.1
193.01495	2.1
211.02487	2.7
212.93498	0.8
234.55472	0.9
249.40697	0.8
273.07642	12.5
274.07761	1.2
295.04611	4.0
313.05646	24.3
314.05911	2.2
341.06885	1.6
376.44568	0.8
421.08002	1.2
423.06119	1.2
439.08423	1.9
465.06674	15.0
489.92441	1.0
587.13739	6.0
591.09863	5.0
657.62390	0.8
675.36224	1.7
739.15045	95.9
740.15564	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	738.5078
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
52.05865	0.7
55.45451	0.6
55.86356	0.8
59.01374	3.8
61.98828	1.5
66.34949	0.7
70.73865	1.8
78.95905	27.1
80.96505	1.0
96.96957	1.4
141.01680	3.2
152.99579	19.5
171.00632	1.0
206.83128	0.8
255.23195	1.3
261.22162	0.7
271.22787	0.9
277.21729	38.9
278.21967	4.2
279.23288	100.0
280.23663	8.6
281.24850	27.9
281.27948	1.7
282.25201	3.3
368.04501	0.8
402.24002	0.9
409.99384	1.0
411.08832	0.9
458.26822	2.2
460.28217	1.2
474.26132	0.8
476.27780	0.9
678.50140	1.2
738.50909	46.9
739.39789	1.3
739.51489	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	738.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.98829	100.0
62.98525	0.2
63.31118	0.2
69.03480	0.2
70.54567	0.4
70.54900	0.2
71.01385	0.8
78.95912	0.2
80.02699	0.2
83.05046	0.5
84.02183	0.2
85.02943	0.3
89.02455	0.6
101.02450	0.7
113.02467	0.4
125.02438	0.8
138.00693	0.2
143.19095	0.2
161.04575	0.3
163.11307	0.5
165.12820	0.4
167.03490	0.3
169.01445	0.4
169.12352	0.4
177.01985	0.3
179.14403	0.2
180.46053	0.2
183.13893	0.4
195.13916	1.0
197.11806	0.3
199.13452	0.4
205.16005	0.2
207.10217	0.4
209.11816	12.6
211.13382	3.2
223.13341	0.8
225.11331	0.3
227.12906	1.5
235.08353	0.4
247.72437	0.2
253.09280	2.5
254.09424	0.2
275.20200	0.7
277.21866	0.4
278.22162	0.3
279.23349	0.4
291.19717	1.7
293.21219	11.5
294.21512	0.2
309.20731	1.6
444.20966	0.2
738.41455	0.3
739.40546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61554	1.3
57.80790	1.3
58.78332	1.2
59.01375	6.9
61.20457	1.6
61.98829	26.8
68.69891	1.5
71.01374	4.2
71.15400	3.2
72.99316	2.1
78.95892	2.3
83.01379	2.0
85.02924	3.1
87.00857	2.0
89.02458	2.0
95.01405	2.3
96.96012	21.3
99.04417	1.5
101.02441	2.9
102.13927	1.5
107.01385	10.3
111.00861	3.1
111.14697	1.3
113.02441	2.9
114.05602	3.2
123.00871	8.4
124.01669	3.6
125.02433	40.9
126.02853	1.4
139.00359	3.8
140.01146	3.2
151.00365	5.6
155.39943	1.5
165.01917	1.5
167.03461	2.6
168.00580	5.3
169.01413	57.1
170.01746	4.2
171.10210	1.6
211.02463	12.0
271.04599	16.2
277.16992	1.5
313.05490	3.0
523.21576	14.4
524.22192	2.8
538.69269	1.7
675.22906	100.0
676.23322	20.5
692.91241	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	738.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17189	0.1
59.01376	0.3
60.54784	0.1
61.98831	100.0
62.98548	0.2
63.99274	0.2
65.30939	0.1
68.65282	0.1
70.95750	0.3
70.96077	0.2
71.01393	0.3
77.86515	0.1
83.05047	0.1
88.25474	0.1
89.02460	0.1
99.64909	0.1
125.02447	0.2
129.36697	0.1
162.39348	0.1
169.01465	0.2
177.01930	0.2
209.11891	0.5
211.13405	0.6
223.09950	0.1
225.11337	0.1
227.12889	0.3
253.09293	0.3
277.21793	0.3
279.23196	0.2
291.19958	0.2
293.21310	0.6
309.20847	0.2
738.52930	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	1.0
59.01381	15.3
61.98827	1.6
68.95322	0.5
69.37222	0.5
69.41515	4.6
72.48692	0.7
79.96983	0.6
81.03461	5.9
83.05029	11.0
96.96012	1.2
125.02450	4.1
125.07162	1.0
137.02414	1.0
143.08282	0.7
151.00421	0.8
155.43105	0.6
161.04431	0.6
165.01961	0.7
167.03462	1.0
169.01393	1.1
169.07466	0.6
177.01901	1.5
177.56161	0.7
207.15044	1.1
207.24649	0.6
224.17632	2.2
225.16069	11.1
225.18050	0.5
242.18886	0.8
249.10744	0.6
299.91339	0.6
305.06601	1.9
309.22043	0.7
341.29172	0.6
367.27313	1.2
407.33914	0.6
433.32001	1.1
450.34430	1.3
451.32870	7.0
452.33209	0.8
550.43390	1.0
659.48694	1.4
677.49689	100.0
678.50006	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	737.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20678	0.9
59.01381	6.9
61.98534	1.9
61.98831	27.1
69.03448	4.2
71.01383	6.6
71.05033	1.5
71.54638	1.4
73.02940	1.7
78.95901	2.0
85.02921	1.9
89.02431	3.2
101.02441	4.0
113.02442	2.1
119.03516	1.4
123.08132	1.2
125.02497	1.4
125.09676	1.8
151.11333	1.2
153.12846	1.7
161.04620	1.8
161.09683	2.7
169.12286	1.9
171.10315	1.5
176.22089	0.9
179.10782	7.5
182.02361	1.0
183.92290	1.0
194.69444	1.1
197.11829	80.3
198.12160	6.0
209.11873	1.3
223.09758	2.5
239.12799	1.0
241.10760	2.7
253.09244	3.7
255.23004	1.2
277.21716	30.4
277.24759	1.5
278.22055	2.9
279.23215	1.4
291.19666	2.2
293.21136	1.4
299.80548	1.0
309.20746	1.3
360.56567	1.0
477.19659	1.9
719.40845	1.2
737.41162	100.0
738.41418	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89247	5.1
61.98826	14.0
71.24665	4.5
78.95885	22.1
79.50632	4.0
80.96519	26.6
84.28658	5.0
96.83851	4.6
97.02954	4.7
104.55794	4.6
110.98534	12.3
136.27322	5.2
190.72173	4.4
197.11842	25.3
197.13869	4.7
203.94218	4.4
244.21870	5.1
277.21713	100.0
278.21848	10.2
279.23334	10.0
291.19775	11.6
309.20740	23.1
345.37665	4.9
354.49084	5.5
521.76978	5.2
548.04999	6.5
602.48163	5.7
617.69922	5.4
737.42920	60.7
738.43286	14.6
746.75037	5.9
757.03204	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	737.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.2
61.27008	0.5
61.98832	8.0
67.01905	1.0
69.03463	2.3
69.18351	5.6
71.01396	1.9
72.99311	1.0
75.00890	0.8
78.89272	0.4
78.95915	0.5
79.01904	1.1
79.95719	0.5
81.03478	1.4
83.01415	1.1
85.02959	1.2
87.00884	0.9
88.98804	0.9
89.02464	0.9
93.03489	0.7
95.01398	2.2
96.96011	2.7
97.02966	2.3
99.04522	0.7
99.16783	0.5
101.02469	0.9
107.01402	3.4
109.02923	0.7
111.00886	0.7
113.02430	1.3
119.05042	0.9
121.02969	0.8
122.03777	0.7
123.00890	6.5
124.01672	1.5
125.02450	78.7
126.02792	2.3
126.63013	0.5
137.02451	1.6
139.00381	3.0
140.01161	1.7
145.02983	0.8
149.02425	1.2
150.03239	2.6
151.00343	4.5
151.03856	0.7
152.35333	0.6
160.01671	0.8
161.02411	0.9
165.05612	3.1
165.09361	0.5
167.03517	1.4
168.00658	2.3
169.01427	100.0
170.01796	3.5
177.01941	1.3
183.03006	2.7
187.03918	0.6
193.01396	1.2
195.06577	1.6
227.03549	0.8
270.08978	1.7
271.06445	0.6
284.06958	1.0
285.04071	3.8
285.11276	2.2
286.04263	2.7
286.08588	0.7
287.04678	1.7
298.08237	1.0
299.09302	1.5
311.09207	0.9
313.05664	0.6
313.10962	0.9
314.07809	1.7
325.10822	0.6
326.08109	0.8
326.11664	0.5
329.10275	5.4
330.10788	0.5
341.10312	7.2
342.10837	0.6
344.12592	7.7
347.07684	3.3
356.12564	2.4
359.14938	5.6
360.15216	0.8
371.14972	2.4
495.12869	1.2
537.21393	1.4
585.12848	2.6
585.23694	1.2
586.14276	0.6
674.34570	1.4
683.06525	0.6
737.24408	39.0
738.24811	9.1
738.36578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.98829	100.0
62.72865	0.3
71.01374	0.7
87.63251	0.3
89.02455	0.5
100.71712	0.3
101.02464	0.9
104.89751	0.3
106.49987	0.3
113.02546	0.3
119.03442	0.3
125.02472	1.5
161.04585	0.4
163.11266	0.4
169.01480	0.8
207.10304	0.6
209.11833	2.3
211.13559	0.6
211.33600	0.3
225.11407	0.6
227.12769	0.4
235.08174	0.4
253.09396	0.6
277.21860	1.0
278.22006	0.6
279.23407	0.3
289.17795	0.4
291.19794	1.5
293.21298	0.9
305.88766	0.4
358.04218	0.3
398.13983	0.6
415.14877	0.8
461.20511	0.4
737.42157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1366
Annotation	Naringenin 7-(4,6-digalloylglucoside)
Peak:m/z	Relative Intensity
57.03438	2.1
59.01385	5.1
61.98830	10.9
63.02393	0.8
65.00328	5.4
65.93646	0.9
67.01893	1.4
68.73776	0.8
69.03448	3.2
69.23844	2.5
69.24271	5.7
71.01379	5.8
72.99300	1.0
73.02938	1.7
75.00851	1.0
79.01878	0.9
79.95721	0.9
81.03455	2.2
83.01369	3.9
85.02946	3.4
85.57172	0.8
87.00881	2.1
88.98811	2.8
89.02422	1.7
91.23900	0.7
93.03436	2.4
95.01388	2.6
96.96017	5.0
97.02943	3.5
99.00905	1.5
101.02447	3.1
107.01391	18.0
109.02943	2.7
111.00876	3.0
113.02463	3.9
116.92783	0.7
117.03449	0.9
119.05031	12.8
121.02964	1.3
123.00886	9.7
123.04523	1.8
124.01656	1.6
125.02451	94.9
126.02808	4.0
127.00372	1.1
133.03006	0.8
136.05289	1.2
137.02460	3.6
138.03256	0.9
139.00319	4.2
139.04036	1.2
140.01172	5.0
141.01770	0.7
143.03503	1.5
143.05031	1.0
145.02924	3.2
149.02431	1.7
150.03172	1.2
151.00377	27.2
151.04016	1.0
152.00696	0.9
161.02454	1.3
161.06088	1.1
165.01941	3.4
165.05591	1.7
166.99886	1.3
167.03485	3.3
168.00681	4.3
169.01427	100.0
170.01735	4.7
177.01909	5.3
179.03531	1.3
181.01414	1.9
183.02914	0.8
185.00974	0.9
185.06071	1.5
187.04062	2.2
191.03474	1.2
193.01428	2.7
195.03258	0.8
204.53679	0.8
205.01552	0.8
207.03119	1.0
211.02490	3.5
217.01373	0.9
221.04567	1.2
221.58171	0.7
227.07077	1.4
237.04131	1.6
253.03452	1.0
271.06174	16.7
272.06485	0.8
295.04596	3.5
305.06808	0.9
313.05634	22.3
314.05969	1.4
341.06641	1.6
423.06677	1.3
439.08780	4.0
465.06836	10.6
495.13287	3.6
495.33203	2.0
496.13217	1.2
575.30463	2.1
585.11853	5.3
586.14618	1.2
591.09961	11.0
592.10138	2.0
647.14038	1.3
673.33936	1.0
674.22070	3.2
674.34338	1.3
693.31842	1.2
737.13617	83.5
737.24554	4.9
737.34821	7.2
738.13794	18.1
738.24988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.1
61.98831	25.8
66.73228	1.5
69.03474	3.4
69.15193	1.4
71.01378	6.9
71.56153	1.7
71.56516	1.9
72.99287	2.8
73.02931	2.3
85.02961	3.4
87.00903	1.7
88.03993	1.6
89.02460	1.5
95.01379	3.9
96.95988	3.8
101.02444	4.6
107.01392	11.8
111.00874	3.0
113.02444	4.0
123.00875	11.6
124.01665	3.4
125.02445	64.7
125.42033	1.6
126.02746	3.8
131.80942	1.6
136.98756	2.6
137.02412	3.3
139.00333	5.8
140.01112	2.3
151.00330	9.4
161.02379	1.9
165.01799	1.7
167.03458	3.7
168.00577	8.8
169.01430	79.8
170.01730	3.2
171.10257	2.2
171.97354	1.4
177.01974	2.1
186.42941	1.4
193.01445	2.7
211.02443	23.1
212.02725	1.5
231.54507	1.7
241.03564	1.7
271.04578	21.8
272.29837	1.8
305.06396	2.9
313.05597	6.4
371.24368	1.9
423.05521	2.4
483.07849	3.3
521.20129	10.2
522.20105	3.0
556.54370	1.8
575.30780	10.7
603.44550	1.8
673.21326	100.0
674.21777	24.7
693.33356	6.8
737.14447	4.6
737.26898	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	735.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
59.01146	0.5
59.01380	6.0
59.96034	0.4
61.98833	5.7
69.03439	1.7
69.46960	0.6
71.01381	3.7
71.05016	1.0
71.55083	0.5
73.02933	0.8
78.95905	0.7
83.05074	0.7
85.02922	0.6
87.00861	0.6
89.02441	3.3
95.05013	0.8
98.25633	0.5
101.02463	3.0
102.54990	0.6
111.08208	0.6
113.02441	2.1
119.03514	0.7
125.02438	0.6
125.09712	0.9
161.04555	1.5
167.10756	3.2
169.01387	0.8
177.12813	1.3
179.05637	0.8
179.10779	1.0
179.14409	4.0
195.13882	14.8
196.14456	0.8
205.12323	9.8
206.12747	0.7
223.13380	100.0
224.13728	6.4
225.15021	0.9
235.08171	3.1
253.09288	15.4
254.09692	0.6
256.13147	1.4
275.20160	5.1
277.21729	1.2
279.23453	0.6
291.19507	0.6
293.21219	81.9
294.21484	6.6
438.77365	0.5
459.22360	10.6
460.23065	1.0
499.34286	0.9
529.30377	0.7
735.42596	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	735.4321
Annotation	Nonactin
Peak:m/z	Relative Intensity
56.49133	1.4
57.03440	1.5
59.01381	12.6
61.98829	22.7
65.52608	1.8
70.54395	4.2
71.01370	5.8
73.02914	2.4
78.05434	1.3
78.95906	1.7
83.05012	1.8
85.02959	1.9
87.00867	1.6
89.02443	4.6
93.05425	1.6
97.06590	1.3
101.02422	4.7
101.03043	1.5
108.07825	1.3
113.02496	1.7
118.05582	1.4
119.03483	1.9
139.14093	1.3
159.11800	3.7
161.04588	2.3
177.12828	23.1
195.13898	65.7
196.14229	4.7
221.11768	7.3
235.08180	4.8
239.12865	6.4
252.55878	1.4
253.09259	6.0
277.21707	82.2
278.22223	7.6
385.50092	1.4
456.84100	1.5
457.20758	3.4
475.21793	6.0
485.86960	1.4
735.43292	100.0
736.43463	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.1
60.99297	0.6
61.98829	10.1
65.00339	1.1
67.01889	2.3
69.03468	2.4
69.43115	3.0
71.01390	2.4
71.05008	0.5
72.99325	1.0
73.02930	0.8
75.00869	0.5
79.01884	1.8
81.03448	1.3
81.56422	0.5
83.01388	1.1
83.05042	1.1
85.02932	4.1
87.00866	1.5
88.98814	2.3
89.02433	0.8
92.96793	0.5
93.03462	0.8
95.01393	4.8
96.96003	0.9
96.99343	0.5
97.02942	1.5
98.19902	1.0
99.04513	1.2
107.01383	7.4
109.02951	1.7
111.00877	3.3
113.02486	0.9
117.46664	0.5
121.02960	1.5
122.99984	1.0
123.00892	20.0
123.04467	0.6
124.01682	1.8
125.02445	79.1
126.02778	2.8
127.00396	1.0
127.04012	5.3
133.02922	0.7
135.04558	0.8
136.98778	2.0
137.02429	1.9
138.03264	0.6
139.00378	5.8
139.03978	1.0
140.01180	3.9
141.01923	1.8
143.05061	0.6
145.05084	0.6
147.93695	0.5
149.02431	1.5
150.03206	2.2
151.00357	8.2
151.03952	1.0
153.01964	0.5
157.06425	0.6
159.04504	0.8
161.02441	1.1
161.06149	0.5
163.00406	0.8
163.04010	1.1
164.01183	0.5
165.01906	1.3
165.05539	3.0
166.99869	7.1
167.03497	1.7
168.00632	6.4
169.01422	100.0
170.01776	3.6
171.04588	0.5
175.04022	0.5
177.01920	1.3
178.47136	0.5
179.03537	1.1
180.76831	0.4
185.06134	0.5
187.03944	1.2
189.05609	0.9
191.03453	0.6
193.01413	6.6
193.05124	0.6
195.06647	0.7
205.01303	0.5
206.02040	0.7
207.02975	2.9
209.04559	1.7
211.02411	2.8
213.05580	0.7
217.05060	1.1
223.02400	0.6
225.03906	0.6
227.03497	1.6
229.05127	2.7
235.02527	1.0
235.06142	0.8
237.04025	3.1
241.16339	0.5
251.05710	0.5
255.02907	1.4
255.05215	0.6
256.03571	0.5
257.04532	1.1
279.05054	6.5
280.05597	1.0
281.06665	4.5
284.03339	1.3
285.04059	8.4
286.04614	0.8
293.53326	0.5
297.06152	11.4
298.06558	1.1
407.06354	0.5
449.07245	97.1
450.07617	9.7
535.19476	1.1
583.10944	1.5
653.53296	0.5
671.33167	0.6
735.12036	17.6
735.24048	3.2
736.12164	5.4
736.23669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.2
57.03447	0.1
59.01369	0.6
61.98829	2.7
63.02390	0.2
65.00330	0.7
66.33454	0.1
67.01891	1.4
68.02229	0.1
68.99818	0.4
69.03454	1.8
70.00179	0.5
71.01384	1.2
72.99301	0.6
73.02958	0.5
75.00884	0.1
79.01887	1.8
81.03439	0.6
83.01392	0.8
85.02953	0.6
87.00871	0.3
88.98804	0.3
89.02419	0.1
91.01916	0.1
93.03468	1.0
95.01385	5.8
96.01709	0.1
96.96010	0.6
96.99310	0.4
97.02959	1.7
98.95601	0.2
99.00885	0.2
99.04538	0.2
101.02455	0.2
107.01390	4.7
107.05024	0.2
109.02961	0.6
110.00090	0.3
111.00884	1.9
113.02464	0.3
117.03472	0.3
119.01408	0.1
119.04976	0.2
121.02959	0.3
123.00886	17.3
124.01719	1.2
125.02445	69.9
126.02782	2.3
127.00376	0.7
127.03953	0.5
131.05029	0.1
133.02957	0.3
135.00906	0.4
135.04538	0.3
136.01660	0.1
136.98787	1.2
137.02466	0.5
138.99303	0.2
139.00381	4.4
139.03922	0.1
140.01166	2.7
141.01956	0.9
141.07071	0.2
143.05031	0.5
145.02937	0.6
145.05045	0.2
145.06590	0.1
147.00908	0.1
149.02458	0.4
150.03191	0.2
151.00371	1.6
151.04007	0.4
153.01949	0.3
154.04309	0.1
154.55428	0.1
154.99783	0.2
156.05736	0.2
157.06595	0.2
159.04521	0.6
161.02443	0.5
161.06068	0.1
163.00383	0.9
163.04045	0.5
164.01096	0.2
165.01918	0.4
165.05571	0.2
165.99057	0.1
166.99855	10.0
167.03484	0.4
168.00641	4.2
169.01419	100.0
170.01756	3.8
170.03259	0.1
171.04509	0.3
173.02422	0.3
174.03258	0.1
175.04022	0.1
177.01962	0.5
178.02493	0.1
178.99820	0.2
179.03465	0.4
183.04379	0.2
185.06068	0.9
186.06322	0.1
187.04012	1.3
188.04456	0.1
189.05585	0.4
191.03488	0.9
192.00591	0.2
193.01410	1.1
195.04501	0.2
196.05252	0.2
197.05988	0.3
199.03983	0.4
201.05627	0.3
205.01430	0.3
206.02031	0.2
206.74449	0.1
207.02916	0.5
209.04596	0.1
211.02298	0.2
211.04041	0.8
212.04686	0.2
213.05583	0.6
214.02937	0.1
215.03413	0.2
217.05029	0.2
218.02269	0.1
223.02344	0.1
227.03415	0.7
229.05048	4.0
230.05490	0.2
235.02408	0.3
235.06161	0.2
237.07634	0.1
239.03549	0.5
240.04300	0.2
241.05080	0.5
243.02911	0.1
255.02910	0.2
256.03799	0.3
257.04541	1.7
258.04825	0.2
267.02863	0.3
267.07199	0.3
279.05087	3.2
280.05856	0.8
281.03528	0.2
281.06631	4.6
282.07001	0.4
285.04034	13.0
286.04373	1.3
297.06140	4.6
298.06436	0.2
302.59772	0.1
317.02914	0.3
321.02414	0.3
449.07220	77.6
450.07574	9.2
522.17841	0.1
545.29346	0.1
583.01666	0.1
583.10938	2.8
584.10956	0.6
671.32941	0.3
735.11938	4.6
735.24463	0.4
736.12183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
59.01373	13.8
60.99295	2.2
61.98833	65.3
66.40431	1.5
69.03461	2.3
69.54716	11.3
71.01391	9.2
73.02925	2.6
75.00874	3.6
77.01397	1.5
79.01903	2.3
83.01357	3.2
85.02943	5.3
87.00876	3.7
88.98816	13.4
89.02457	3.0
93.03443	1.6
95.01398	3.9
96.96021	23.3
99.00842	2.1
101.02451	5.7
106.72179	1.4
107.01376	10.8
109.02969	2.9
111.00861	4.2
113.02436	5.6
122.03815	2.5
123.00883	15.2
124.01648	3.0
125.02449	51.8
135.04463	1.7
135.56413	1.6
137.02454	4.2
139.00374	5.2
140.01132	3.5
141.01982	1.8
145.02858	1.7
149.02435	3.8
150.03192	10.2
151.00366	12.8
151.03905	3.1
161.02484	2.5
163.00336	1.7
163.03990	4.5
165.01868	1.8
165.05562	11.4
166.06192	5.2
167.03473	5.7
168.00575	3.8
169.01422	61.4
170.01669	4.7
175.03947	1.7
177.01883	7.9
178.02463	1.7
179.03409	2.1
179.07086	2.2
181.08739	2.2
185.06055	2.7
187.04083	4.3
195.06627	4.0
211.02299	2.2
227.03539	2.2
229.05013	10.3
240.04353	1.9
257.04504	5.8
267.07297	4.2
285.04041	81.5
297.06097	3.1
305.06650	2.6
317.02896	1.8
360.78244	1.8
520.20148	2.0
523.19769	3.4
583.10815	15.2
668.26306	2.8
671.32849	100.0
672.33234	20.9
680.26147	1.9
705.28955	2.3
734.24072	4.8
735.22815	2.8
735.33759	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	733.466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30048	5.6
61.98837	30.2
71.53565	5.7
71.53939	7.4
78.95904	46.0
92.08821	7.4
100.87126	6.7
100.98872	5.5
110.98512	18.3
167.01199	7.3
171.10249	28.3
211.13298	23.2
217.90558	5.8
229.14316	10.1
255.23257	100.0
256.23642	12.7
327.21741	54.0
328.22028	8.8
333.27072	7.2
336.84573	6.3
345.37216	6.6
442.07101	6.3
480.37256	7.1
733.26917	7.9
733.46692	89.8
734.46832	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	733.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.5
59.01380	100.0
60.99292	2.5
61.98527	2.6
61.98833	31.6
71.01382	33.9
71.53928	2.2
72.99323	3.8
73.02943	7.5
75.00885	1.8
83.01402	6.2
85.02958	17.2
86.83173	1.5
88.98819	10.8
89.02462	12.5
91.04753	1.5
95.01398	7.4
96.96008	12.1
97.02966	3.8
99.00918	3.8
101.02443	13.5
107.01418	3.2
109.02897	1.9
111.00871	3.2
113.02462	23.5
119.03500	3.0
121.02958	3.8
123.00883	4.6
124.01669	6.1
125.02452	35.4
125.39471	1.7
135.04549	1.9
137.02454	2.7
143.03493	5.5
149.02422	3.3
150.03242	8.3
151.00316	3.1
161.04564	4.4
163.04126	1.8
165.05606	8.3
167.03560	1.9
169.01428	27.1
175.03970	3.0
177.01884	2.8
179.05707	1.9
193.01350	2.5
195.06705	5.3
211.02481	2.5
279.06223	1.9
308.55676	2.0
313.05786	2.3
381.22964	2.1
499.12115	2.2
525.19659	2.9
525.26910	20.5
526.27051	3.8
543.28076	56.1
544.28662	8.8
561.29150	21.5
562.29486	4.7
563.21729	2.9
585.29346	8.2
603.30548	12.5
604.30316	3.4
625.24622	2.3
637.24420	2.3
667.25122	4.4
671.32678	4.2
673.26929	2.5
733.23999	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	731.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	23.7
59.01376	24.5
65.72852	1.2
69.03458	2.2
71.01382	2.7
71.68833	1.2
73.02938	3.3
85.02938	5.3
99.04535	1.7
109.06601	16.6
111.04527	7.6
119.05019	4.3
123.00849	2.0
123.08151	2.2
125.01646	1.4
125.02421	7.7
135.08151	20.5
137.09721	15.3
137.53386	1.5
138.06847	2.9
149.09717	4.4
151.00298	2.9
151.61578	1.5
153.09239	7.4
154.85953	1.4
163.03979	5.1
163.11270	10.4
167.10785	9.3
169.01456	8.0
173.48683	1.2
175.11293	1.5
177.09207	29.7
191.10764	3.3
193.12331	100.0
194.12659	6.8
211.13399	42.0
212.13713	2.1
217.12193	4.8
233.95598	1.3
235.13412	21.1
235.85921	1.5
236.13750	2.4
253.14435	18.7
254.14731	1.8
297.13367	7.7
389.10925	18.5
395.02402	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	731.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03191	1.9
57.03448	22.6
57.72883	1.1
59.01108	1.5
59.01383	23.5
67.01914	1.2
71.01356	1.4
73.02932	2.5
78.66162	1.1
85.02942	5.0
87.67815	1.1
97.85352	1.1
98.20632	3.0
99.04507	2.4
101.33398	1.0
104.38870	0.9
109.06586	16.3
111.04501	7.0
119.05040	1.5
119.99870	1.2
120.99232	1.1
123.00876	1.5
123.08153	1.8
125.02421	4.8
125.06072	1.8
127.09578	1.2
127.39278	1.1
129.97166	1.1
134.34499	1.1
135.08182	20.3
137.08923	1.3
137.09744	14.3
138.06874	2.7
139.00385	1.3
149.09718	5.0
151.00299	2.7
153.09222	5.9
163.11334	8.3
167.10768	8.6
169.01389	3.5
172.06378	1.1
177.09206	25.9
178.09634	2.2
191.10854	5.7
193.12332	100.0
194.12685	7.2
211.13387	41.5
211.15425	2.2
212.13766	2.4
217.12296	2.9
235.13383	21.4
236.13774	1.4
253.14438	19.7
254.14708	2.1
255.12289	2.6
270.23975	1.1
284.44391	1.1
297.13406	8.9
388.86853	1.2
389.10898	20.3
390.11252	1.6
468.10297	1.0
504.07822	1.3
620.21600	1.2
694.18536	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39286	0.5
60.99307	20.3
61.98835	6.4
64.61499	0.5
66.79520	0.6
71.44067	1.1
71.97941	0.5
80.85993	0.6
84.34890	0.5
85.55521	0.6
87.00864	4.6
88.00388	0.6
88.98805	100.0
89.02438	24.5
89.99123	0.8
112.32854	0.6
144.33698	0.5
335.14264	0.6
354.13211	0.7
438.13229	2.4
439.13959	1.4
467.13751	2.7
481.15182	15.6
482.15829	8.2
483.16132	1.2
495.16803	1.5
496.17340	1.0
497.18445	4.0
498.18564	1.1
514.14996	8.5
515.15063	2.4
525.13916	0.7
540.16888	4.4
541.16516	1.6
555.18878	37.6
556.19086	11.5
572.15430	7.4
573.15649	2.2
641.22528	1.8
659.23621	28.1
660.23730	7.7
731.25708	4.2
732.25049	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	730.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.2
61.98829	100.0
62.98550	0.2
63.80662	0.2
67.28148	0.2
78.95927	0.2
79.32515	0.2
80.96519	0.2
92.04472	0.1
107.91862	0.2
146.81827	0.1
171.10378	0.4
172.10593	0.2
229.06174	0.2
252.36211	0.2
253.21725	0.2
278.22263	0.2
279.22461	0.2
347.34625	0.2
422.45090	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42168	0.8
59.01372	3.1
61.98817	2.9
62.43272	1.0
63.02388	1.1
65.00298	1.7
69.03444	1.2
69.17979	1.7
69.18369	9.6
71.01373	2.2
73.24122	0.9
79.01878	1.1
83.01369	2.7
83.62286	1.1
85.02939	1.8
87.00862	1.3
93.03427	1.2
95.01369	1.1
96.96011	6.3
107.01391	6.1
108.02155	1.9
109.02925	2.4
111.00900	1.3
113.02447	1.2
115.34462	1.0
116.72032	0.9
116.92857	1.1
121.02903	1.7
123.00859	3.9
123.04521	1.2
124.01664	1.9
125.02448	23.3
127.30048	0.9
137.02351	1.6
139.00333	1.6
140.01218	1.1
141.01773	0.9
146.21616	1.0
148.01590	1.3
150.53098	1.0
151.00351	15.8
151.03958	2.2
152.01105	1.3
163.00365	2.4
164.01082	1.6
166.99918	1.1
167.03514	1.3
168.00668	2.0
169.01425	23.2
170.01709	1.0
170.40851	0.9
178.99872	7.8
195.02969	1.4
195.06508	1.7
199.03883	1.3
209.04546	1.7
227.03522	1.6
229.05080	0.9
243.02997	11.1
244.03552	1.1
245.04430	1.3
254.02126	2.5
255.02951	27.7
256.03308	2.6
271.02463	53.2
272.03058	6.2
281.06659	1.3
291.44202	1.1
299.02008	2.3
300.02744	100.0
301.03351	20.1
329.06970	0.9
403.20654	0.9
539.15540	1.0
557.16772	4.6
569.20166	1.1
579.13489	7.8
662.96979	1.2
669.14325	1.8
731.14478	87.6
732.14935	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	730.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.2
61.98829	100.0
62.98550	0.2
63.80662	0.2
67.28148	0.2
78.95927	0.2
79.32515	0.2
80.96519	0.2
92.04472	0.1
107.91862	0.2
146.81827	0.1
171.10378	0.4
172.10593	0.2
229.06174	0.2
252.36211	0.2
253.21725	0.2
278.22263	0.2
279.22461	0.2
347.34625	0.2
422.45090	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10863	0.5
57.03443	4.1
59.01377	0.9
64.86956	0.5
71.01376	1.8
71.54523	0.6
79.95732	4.0
81.03418	0.6
83.01395	2.3
84.62355	0.4
96.96015	100.0
97.02950	1.0
99.00849	0.7
107.01402	2.0
107.05007	0.6
109.02953	7.2
121.02958	3.0
123.00898	0.6
123.04550	2.8
125.02452	37.5
126.02804	1.4
131.04964	0.6
133.02992	1.5
135.04520	1.1
137.02437	10.2
139.04022	1.0
145.02962	1.1
148.01689	0.5
149.02481	1.3
150.03162	0.5
151.00397	7.7
151.03987	3.9
159.04514	2.0
161.02437	8.2
161.06114	1.3
162.03130	0.8
163.00473	0.6
163.03998	0.7
164.01170	1.4
165.01939	2.2
167.03526	0.7
169.01427	9.5
175.03966	3.8
177.01921	4.4
178.99843	5.7
179.03485	1.9
185.06114	0.7
187.04025	2.3
192.00694	1.0
193.01396	1.5
199.04059	0.9
201.05534	0.7
203.03506	0.8
203.07188	2.2
205.01498	1.0
205.05095	1.9
211.04218	0.6
213.05508	0.7
214.08282	0.5
217.05119	0.6
221.08147	0.8
225.05763	1.1
227.03531	1.1
227.07179	0.8
228.04126	0.8
229.05019	1.2
243.03055	3.3
244.03476	0.6
245.04570	2.7
245.08257	3.3
253.05096	0.6
255.03012	2.9
256.03741	2.4
257.04459	1.2
269.04611	1.5
271.02533	0.8
271.06174	3.6
275.48355	0.5
281.04706	1.5
284.02921	0.6
285.04160	1.9
287.02722	0.5
287.05496	2.6
289.07166	15.1
290.07587	1.7
299.05652	1.0
303.05133	0.9
316.02213	0.8
317.03024	25.4
318.03452	2.2
339.08945	1.2
375.52078	0.5
381.10034	0.8
389.06592	2.7
407.07703	32.9
408.08185	3.9
425.08960	1.5
433.09506	1.4
441.08185	4.5
451.10416	6.3
452.11176	0.6
479.08493	0.8
483.09741	0.6
537.21851	0.7
559.09454	2.6
577.13574	3.8
603.11786	1.1
631.09381	10.5
631.18982	0.7
632.09863	2.3
708.32227	0.6
729.14685	2.2
730.15570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.1
59.01365	1.0
61.99496	0.5
63.60261	0.5
65.00343	0.7
69.03464	1.2
71.01376	1.2
71.12684	0.6
71.13026	1.1
79.95741	4.1
81.03459	0.8
83.01379	3.6
91.72408	0.5
93.03460	0.8
95.01366	0.7
96.96012	100.0
97.02975	1.4
97.95912	0.7
107.01404	2.5
109.02954	7.9
119.05033	0.7
119.45103	0.6
121.02959	4.6
123.00909	1.1
123.04515	3.5
125.02449	46.8
126.02803	1.3
133.02928	2.3
135.04529	1.8
137.02438	10.9
145.02965	2.2
146.03722	0.5
146.86110	0.5
147.04451	0.6
149.02448	2.6
150.03252	0.7
151.00374	6.7
151.04016	5.8
159.04495	2.2
161.02454	11.3
161.06090	2.3
162.03035	0.8
163.00371	1.7
163.04024	1.6
164.01138	1.5
165.01901	2.4
165.05693	0.5
167.03496	0.6
169.01427	11.0
174.03241	0.8
175.03987	4.6
177.01917	6.6
178.02325	0.5
178.99861	4.7
179.03529	1.7
183.04515	1.0
185.06062	1.4
187.03966	2.6
193.01399	1.3
199.04019	1.4
201.05606	1.2
202.06308	0.6
203.03502	1.0
203.07042	3.3
205.01541	1.0
205.05086	2.3
211.04027	1.2
212.04836	0.6
213.05521	0.9
217.05090	1.3
219.02989	0.6
221.08122	0.7
225.05536	1.0
227.03482	1.6
227.06969	1.1
229.05122	1.5
231.02969	0.6
243.02975	3.3
243.52455	0.7
245.04515	3.6
245.08133	5.7
246.08441	0.6
253.05086	1.5
255.02933	5.7
256.03705	2.6
257.04449	1.2
267.03043	0.7
269.04489	1.2
271.02817	0.6
271.06137	4.5
281.04477	0.9
283.02441	0.7
285.04047	1.9
287.05524	3.4
289.07166	21.3
290.07550	1.3
297.03998	0.9
299.05634	1.5
303.04913	1.1
316.02188	1.4
317.03009	22.6
318.03354	1.7
339.08820	1.3
381.09888	0.7
389.06552	3.0
407.07703	41.9
408.08023	4.9
425.08765	3.1
433.09164	2.1
441.08231	5.5
442.08344	0.7
451.10364	8.4
452.10672	1.8
479.08221	1.7
559.08411	2.6
577.13879	5.0
578.13525	0.7
603.11682	1.6
631.09235	12.2
632.09991	1.6
729.14221	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	727.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.4
59.14357	2.9
61.24242	3.5
61.53845	3.4
61.98832	60.3
70.77060	6.9
71.01375	4.9
78.95899	9.1
95.74740	3.4
101.02451	4.8
108.13489	3.0
152.99541	7.3
165.12799	7.2
183.13919	49.5
183.15431	6.6
185.32668	3.5
235.08205	4.4
253.09338	3.9
281.24847	100.0
282.25165	12.9
295.22702	7.2
349.00214	3.6
431.22198	4.6
456.79395	3.7
503.20325	4.0
537.55487	3.6
610.69647	3.5
727.46472	69.5
728.46423	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.8
61.98831	0.9
66.85398	0.4
71.00809	0.5
71.01395	2.0
78.95922	1.1
83.01379	0.5
87.00926	0.4
89.02450	0.9
98.20558	0.4
101.02451	1.5
113.02447	0.8
125.09699	0.5
127.11299	1.6
141.70808	0.4
148.17122	0.4
161.04668	0.9
171.10275	86.2
172.10643	4.1
209.11855	2.3
235.08176	2.7
253.09303	7.3
254.09593	0.6
277.21710	100.0
278.22061	9.8
281.24927	4.4
289.17355	0.4
405.90591	0.5
407.19159	1.4
408.19208	0.4
482.71655	0.4
513.30792	0.5
543.57532	0.4
591.06696	0.4
656.59009	0.6
727.44385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.8
61.98831	0.9
66.85398	0.4
71.00809	0.5
71.01395	2.0
78.95922	1.1
83.01379	0.5
87.00926	0.4
89.02450	0.9
98.20558	0.4
101.02451	1.5
113.02447	0.8
125.09699	0.5
127.11299	1.6
141.70808	0.4
148.17122	0.4
161.04668	0.9
171.10275	86.2
172.10643	4.1
209.11855	2.3
235.08176	2.7
253.09303	7.3
254.09593	0.6
277.21710	100.0
278.22061	9.8
281.24927	4.4
289.17355	0.4
405.90591	0.5
407.19159	1.4
408.19208	0.4
482.71655	0.4
513.30792	0.5
543.57532	0.4
591.06696	0.4
656.59009	0.6
727.44385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	12.6
59.01373	39.4
61.98837	50.9
65.71677	7.8
71.01390	15.5
85.02954	12.4
87.00900	11.7
88.98824	12.3
89.02445	12.0
96.96030	9.3
101.02439	10.0
108.81382	8.1
125.02452	55.7
153.53555	6.7
169.01387	36.5
171.10245	7.5
172.45374	9.0
199.09821	11.8
201.11324	19.9
211.13463	12.0
275.20218	8.6
289.18222	12.0
293.21295	100.0
294.21457	15.2
397.13538	51.3
415.14474	33.8
650.85925	7.9
691.34375	10.4
727.32782	42.9
728.33466	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	727.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.03437	3.7
59.01382	19.8
61.02018	1.4
61.98800	3.0
69.03447	3.0
69.25620	6.5
69.26044	8.1
71.01384	23.2
72.99284	7.9
73.02931	2.8
75.00870	15.8
77.96255	1.7
81.31382	1.7
85.02948	24.8
87.00865	10.8
89.02451	4.8
95.01366	3.6
96.96027	3.0
97.02950	2.1
97.06546	2.1
99.00887	11.7
101.02481	2.2
107.01392	1.9
113.02446	24.5
113.59096	1.5
117.01891	2.3
123.00838	2.3
125.02452	19.1
129.01930	2.3
165.12836	15.9
167.03467	2.2
169.01413	26.2
174.85098	1.6
177.01822	2.2
183.13889	44.7
184.14180	2.5
205.07156	1.9
227.12885	6.2
249.06071	6.7
267.07135	15.7
271.04626	2.1
335.79553	1.9
415.19678	5.6
423.28342	1.7
458.17102	2.1
477.20270	1.7
551.23376	8.9
691.22247	5.2
727.26495	100.0
728.15985	2.5
728.27032	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	727.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84666	0.6
59.01389	3.0
67.22239	0.7
70.21594	2.3
71.01405	3.0
73.02942	1.3
78.95905	4.5
79.01878	1.5
81.03459	0.7
83.01371	1.4
85.02969	3.1
87.00871	0.8
89.02445	0.7
93.03499	0.9
95.01410	1.4
96.96974	0.7
97.02943	0.9
98.19935	0.9
100.53378	0.7
101.02436	2.1
107.01392	2.1
111.00900	1.8
111.04435	0.7
113.02446	1.1
119.05026	21.1
120.05367	0.8
123.00893	6.4
125.02449	12.2
127.00356	1.3
136.98834	1.3
137.02457	0.6
139.00365	3.4
140.01134	1.7
141.01886	1.0
151.00363	9.5
155.03468	1.0
161.04503	0.8
163.04012	36.2
164.04347	2.5
168.00629	2.8
169.01418	16.1
173.04507	1.7
177.01785	0.6
177.19757	0.7
191.05602	6.4
211.02412	0.7
249.08864	0.7
305.06702	0.7
313.05777	1.3
337.09253	13.1
338.09641	0.8
381.08615	0.7
389.10886	100.0
390.11249	10.7
433.13522	2.0
724.53040	0.7
728.15045	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.4
59.01379	38.4
67.01888	3.7
68.99814	3.7
69.03452	10.7
71.01385	24.9
72.99295	4.2
73.02950	9.2
81.03484	4.5
83.01402	6.1
83.05067	3.7
85.02946	59.5
87.00875	100.0
88.72333	2.5
93.03453	5.6
95.01381	22.4
96.01690	2.8
96.95994	3.4
97.02954	30.6
99.04514	2.7
103.04019	7.3
109.02962	8.7
111.00875	8.0
113.02409	16.5
115.00357	13.6
116.92867	6.5
125.02454	14.2
127.04043	15.2
129.01941	4.2
137.02461	6.4
139.00386	14.5
145.05052	7.1
146.64967	2.7
150.72368	2.8
153.01979	3.5
157.01422	10.8
169.01389	7.0
169.04980	2.7
175.02470	56.4
175.03973	4.1
193.12428	3.3
199.02458	37.1
200.02812	2.9
217.03531	21.2
243.02858	3.3
303.07233	18.1
321.08246	8.3
345.08154	6.6
387.09348	15.1
405.10391	6.9
455.64914	2.7
563.12640	4.6
623.14331	6.1
709.18359	16.9
710.18909	4.7
727.19653	18.7
728.83252	3.0
759.47144	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	727.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.5
59.01366	3.8
59.22028	1.0
60.55626	0.9
67.01872	1.4
69.03443	3.0
69.44926	5.1
69.45330	2.2
71.01374	4.4
72.99304	1.8
75.00857	1.4
77.14108	1.0
77.88995	1.0
79.01904	1.2
85.02943	3.2
87.00887	1.5
89.02425	1.2
95.01406	6.4
96.95992	3.7
97.02949	3.4
98.20699	2.1
99.00886	1.5
101.02478	1.3
105.01922	1.1
107.01397	9.5
108.02206	1.7
109.02925	2.6
111.00857	3.8
113.02447	3.6
116.92835	2.1
119.04999	1.4
123.00893	16.4
124.01658	3.2
125.02446	83.1
126.02750	2.1
127.00380	1.2
137.02429	2.2
137.39032	1.1
139.00356	6.1
140.01151	5.4
141.01932	1.0
148.04039	1.7
151.00356	5.9
153.01910	1.9
161.02403	1.3
163.03983	2.2
165.01939	1.5
166.05070	1.4
166.99835	4.2
167.03535	1.1
167.67142	1.2
168.00633	8.2
169.01422	100.0
170.01747	4.1
175.03963	1.3
177.01950	1.7
191.03477	1.2
193.01389	2.6
211.02431	3.2
215.86143	0.9
223.02466	1.4
233.04630	0.9
241.03566	1.0
249.06343	1.2
267.11331	2.2
277.03372	1.5
293.09256	1.1
295.04620	4.1
297.06100	3.5
313.05637	13.2
314.05759	1.4
350.09009	1.2
351.09192	1.5
423.09387	6.1
449.07089	2.8
465.06790	5.9
466.07248	1.1
479.75351	1.0
504.14108	2.0
548.13171	3.3
575.10382	29.1
575.19592	1.4
576.10596	5.2
617.07855	22.4
618.08130	2.6
647.96997	1.1
662.25348	3.2
663.26361	1.7
691.22461	2.3
696.16815	2.1
727.11554	79.8
727.23999	4.2
728.11670	14.9
728.23242	1.5
740.75494	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1153
Annotation	hyemaloside A
Peak:m/z	Relative Intensity
57.03443	1.4
59.01362	4.6
61.61995	1.3
68.91809	1.1
69.03447	3.4
69.42130	9.6
69.69055	1.1
71.01374	4.6
73.02946	2.1
75.00860	2.2
76.59898	1.1
85.02941	5.4
87.00871	2.1
95.01376	5.9
96.95992	4.0
97.02934	3.3
99.00892	1.6
101.02409	2.6
107.01389	10.3
108.02189	1.4
109.02934	3.4
111.00873	3.1
113.02421	4.5
116.92859	6.2
119.04963	1.5
123.00880	16.8
124.01670	4.5
125.02444	89.1
126.02782	2.9
127.00437	1.2
132.04536	1.2
136.98787	2.6
137.02455	3.6
139.00378	7.3
140.01117	4.5
143.03450	1.5
148.04015	4.5
149.02440	1.7
151.00385	7.3
154.99913	1.3
161.02425	2.0
163.04016	1.7
165.01941	2.0
166.99838	4.2
167.03452	2.7
168.00676	7.7
169.01424	100.0
170.01738	3.9
177.01927	3.3
179.03374	1.3
191.03430	2.0
193.01463	2.8
207.02998	1.3
211.02402	2.3
212.23260	1.2
223.02414	1.2
229.30009	1.2
237.04065	1.6
241.03378	1.8
261.03888	1.7
267.11502	1.9
273.32562	1.2
293.09338	1.8
295.04654	3.8
297.06137	4.4
311.10416	2.4
313.05673	12.7
350.08969	1.7
351.09412	1.7
423.09180	5.2
447.05414	2.1
449.07303	2.1
465.06631	5.2
504.14432	2.0
548.13116	4.8
575.10449	16.9
576.10815	2.2
617.07916	22.8
618.07813	4.5
662.26172	2.1
683.72046	1.3
691.22235	5.2
695.17542	1.3
696.16779	1.6
724.23035	1.3
726.23877	1.9
727.11554	74.0
727.24066	4.1
728.11694	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	726.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96489	0.5
59.01377	3.1
61.98832	6.1
68.99783	0.8
69.03456	1.6
71.01379	2.2
72.99297	1.7
75.00869	1.0
78.95917	0.7
81.03440	0.9
83.01376	0.7
85.02950	3.5
89.02469	1.1
95.01394	1.7
95.04994	0.7
96.96010	0.9
97.02957	1.0
99.00893	0.6
100.84737	0.6
101.02448	1.7
105.03481	1.3
107.01409	0.7
109.02963	2.6
111.04526	1.0
113.02432	3.3
119.04981	0.7
123.00878	2.2
123.04508	1.8
124.01622	0.9
125.02451	50.4
126.02810	2.0
127.07688	0.9
129.05560	0.8
133.02969	0.7
137.02470	1.3
138.03258	0.9
139.03995	1.8
153.05621	0.9
154.32561	0.6
161.02428	10.5
167.03505	2.2
169.01424	100.0
170.01785	4.8
171.03088	0.7
171.10286	0.7
177.01913	6.5
178.02365	0.8
179.03445	0.6
189.01918	3.3
189.03867	0.9
190.02596	0.7
193.01370	3.3
214.55217	0.7
217.01411	6.5
231.02928	0.9
269.04440	0.8
285.03970	0.6
287.05270	0.9
289.07111	1.4
294.32974	0.6
301.03574	0.7
319.04593	1.1
327.21930	1.3
328.22220	0.8
331.08224	11.2
332.08539	1.4
357.06155	3.4
371.07767	4.7
437.86121	0.6
457.17065	1.1
458.17697	0.7
493.11346	7.5
494.11615	1.0
509.17993	0.6
511.12476	13.1
512.12701	2.1
535.31476	1.7
536.31384	1.3
537.10126	3.3
574.12665	0.9
663.13330	3.1
665.38019	1.4
683.38220	0.8
690.21906	0.7
691.22333	1.4
725.35284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01379	4.2
61.58525	0.3
61.98833	4.7
65.00346	0.3
67.01891	0.6
69.03466	2.0
69.34552	1.8
69.34965	0.6
71.01392	2.0
72.99314	0.9
73.02938	0.8
75.00871	0.6
79.01910	0.5
80.07901	0.3
81.03480	0.8
83.01392	0.5
85.02955	2.4
87.00875	0.4
89.02457	1.2
89.03986	0.3
93.03476	0.7
94.02994	0.5
95.01409	1.1
95.05037	0.6
96.96033	1.0
97.02973	1.8
97.06609	0.3
99.00867	0.7
101.02438	1.1
105.03456	1.3
107.01409	0.7
109.02968	2.3
111.00905	0.3
111.04543	0.4
113.02451	1.7
116.92873	0.7
119.03464	0.3
119.05013	2.4
119.50039	0.3
121.02967	0.6
123.00900	1.9
123.04534	0.4
124.01661	1.2
125.02451	56.1
126.02824	1.5
133.02951	1.0
137.02446	0.8
138.03247	1.1
139.03993	2.1
145.02972	0.3
148.69531	0.3
149.02466	0.4
151.00386	0.4
161.02438	11.4
162.02771	0.5
163.04004	1.6
164.33401	0.3
166.99835	0.8
167.03517	1.9
169.01425	100.0
170.01761	4.5
171.10251	1.1
177.01935	8.0
178.02232	0.4
179.03464	0.4
189.01976	4.7
190.02673	1.1
191.03481	0.5
193.01410	2.7
203.03546	0.5
205.05042	0.4
211.13437	0.7
215.03674	0.3
216.00604	0.9
217.01427	6.6
218.01942	0.4
219.02950	0.7
227.12881	0.6
229.05051	0.3
229.14334	0.6
231.03059	0.9
243.02888	0.3
243.88890	0.3
256.03647	0.3
257.04544	0.5
259.02478	0.8
266.06039	0.3
267.07196	0.3
269.04422	0.7
273.04150	0.5
274.04782	0.8
279.11017	0.3
283.02655	0.4
285.04050	0.8
287.05618	0.4
287.15054	0.6
288.06445	0.6
289.07184	2.1
291.04953	0.3
295.05991	0.4
300.06128	0.3
301.03577	0.8
313.03619	0.4
314.04315	0.3
316.05960	0.5
319.04495	0.9
321.04086	0.6
327.21683	5.1
328.22021	1.7
329.06796	0.3
331.08246	10.8
332.08539	1.0
339.05075	0.6
343.08276	1.0
357.06183	2.4
371.07669	4.3
372.07968	0.6
415.14548	1.5
416.14810	0.5
449.11816	0.3
457.13306	0.8
475.10617	0.5
493.11472	5.6
494.11771	0.8
499.14636	0.5
511.12451	12.3
512.13098	1.9
515.42603	0.3
522.20093	0.4
535.31207	0.6
536.31232	0.4
537.10382	1.8
538.10370	0.5
661.24786	0.5
662.25781	0.7
663.13324	2.5
664.13568	0.4
665.37195	1.3
666.37415	0.6
683.38495	0.6
691.23029	0.3
693.27661	0.7
694.28528	0.4
725.35138	0.7
726.34607	0.4
727.27014	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	3.0
59.01383	9.4
61.98816	4.9
69.32780	1.1
71.01376	4.6
71.25336	1.1
73.02965	2.6
83.01378	1.9
83.04993	1.3
87.00836	2.8
89.02463	3.3
95.04988	2.1
96.96010	14.4
97.06578	8.7
101.02430	4.1
117.14973	1.2
119.03489	1.7
125.02406	5.2
151.11282	16.2
169.01411	4.0
169.12338	59.0
170.12718	2.2
171.10251	1.7
195.10249	1.8
195.13881	7.6
199.13245	1.6
211.13449	1.3
213.11299	7.5
223.13400	4.7
235.08171	1.7
253.09164	4.3
267.68417	1.3
275.20120	4.3
290.88864	1.3
293.21207	29.0
294.21564	2.5
431.19205	2.3
449.19897	3.0
533.85022	1.4
558.82269	1.5
627.20868	3.0
725.41113	100.0
726.41437	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62071	2.3
55.27483	2.2
59.01379	29.9
61.98826	10.4
70.40762	7.6
71.01382	24.3
73.02972	4.2
83.01398	4.7
85.02940	5.6
87.00877	7.7
89.02443	23.0
95.01424	2.7
97.02946	4.0
99.34126	2.6
101.02441	22.2
113.02431	8.7
119.03484	8.0
125.02436	19.4
143.03493	2.7
161.04575	5.9
167.03477	4.2
169.01430	8.5
235.08165	11.1
267.20416	4.3
267.23273	78.5
268.23660	4.4
287.07635	4.1
293.21286	4.0
305.08771	2.8
397.08237	5.5
397.13470	100.0
398.13763	8.6
415.14484	25.9
416.15176	3.0
451.89978	2.9
680.91248	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	725.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.6
57.70504	0.6
59.01365	2.8
61.98813	1.7
63.66702	0.5
67.01880	1.6
68.99817	0.9
69.03447	1.5
69.24760	6.3
71.01374	2.9
72.06908	0.5
72.99296	1.5
75.00887	0.7
75.62611	0.5
76.25960	0.5
79.01852	1.2
81.03452	1.3
83.01377	0.9
85.02943	3.2
85.22474	0.6
87.00867	1.0
88.98790	0.7
93.03463	0.7
95.01385	4.2
96.96015	0.9
97.02934	2.5
99.00873	1.1
101.02459	1.0
107.01392	9.2
109.02924	1.2
110.00072	0.6
111.00912	4.2
113.02424	1.9
123.00890	16.6
124.01678	4.1
125.02449	58.1
126.02766	2.6
127.00340	1.5
136.98792	1.5
137.02446	1.5
138.03191	1.6
139.00374	7.4
140.01190	6.6
140.33908	0.6
141.01886	1.3
149.02457	0.8
151.00349	5.8
151.03998	1.3
153.01828	1.8
161.02417	2.2
163.03992	1.1
166.99821	2.4
167.03484	0.8
168.00665	9.8
169.01427	56.8
170.01762	3.4
175.03979	1.4
177.01823	1.4
179.03444	1.0
181.01401	0.9
190.02667	0.8
193.01389	0.8
193.05009	0.7
197.30156	0.7
211.02409	2.7
235.02431	0.7
237.04146	0.8
253.14110	0.7
297.06204	1.2
313.05713	3.5
327.21716	1.2
403.10388	3.9
421.11401	13.4
422.11508	1.9
493.36249	0.7
555.10852	1.1
573.12506	9.5
574.12946	1.9
635.20135	1.5
689.21088	1.7
725.13483	100.0
725.34314	2.4
726.13885	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68801	0.7
59.01377	1.1
61.16149	0.8
61.98828	100.0
71.46671	1.6
78.95905	11.0
96.96934	1.5
102.84423	0.9
152.99586	5.5
171.10233	3.1
195.13763	1.0
200.60895	0.8
255.23280	2.7
277.21671	1.6
281.24796	1.5
293.21072	2.2
295.22684	3.0
302.19647	0.9
320.35211	0.8
322.57275	0.8
389.04779	1.0
429.20517	2.1
430.20236	0.8
431.22107	2.3
488.19592	1.0
504.47510	0.8
725.39648	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	724.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39774	0.1
53.64465	0.1
58.26890	0.1
59.01384	0.3
61.98830	100.0
62.98537	0.2
67.73380	0.1
70.91517	0.2
70.91866	0.1
71.01379	0.2
73.92003	0.1
78.95936	0.1
82.95427	0.1
96.96005	0.1
125.02499	0.4
125.99083	0.1
137.02365	0.1
167.03514	0.1
169.01454	0.4
177.02017	0.1
209.11848	0.1
366.57285	0.1
399.13901	0.1
422.91235	0.1
469.81573	0.1
575.77612	0.1
602.00122	0.1
702.74353	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	724.34
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	0.2
59.01369	0.3
61.98830	100.0
69.33783	0.2
69.46725	1.2
74.24414	0.2
78.95902	0.4
84.06094	0.2
89.02451	0.2
101.02439	0.3
125.02467	0.8
126.08167	0.2
133.96933	0.2
137.02483	0.2
138.60617	0.2
144.01010	0.2
167.03465	0.3
169.01486	0.6
176.99632	0.2
177.01999	0.3
180.80132	0.3
197.11870	0.4
204.98938	0.2
211.13516	0.3
273.04230	0.2
293.21277	0.5
366.54706	0.2
702.28748	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53165	1.0
57.03452	8.5
59.01380	7.2
61.98831	55.5
69.03436	1.3
71.01377	4.3
75.00875	1.3
79.99461	0.9
81.03450	1.3
83.01391	2.6
85.02963	2.7
87.00877	1.6
89.02405	1.1
95.04994	1.0
96.96040	1.9
98.19919	2.4
99.00851	1.3
99.65353	1.1
101.02455	2.2
105.03510	2.5
107.01426	0.9
109.02948	1.5
113.02428	2.7
121.02975	1.1
121.10243	1.0
123.00871	1.9
125.02449	52.3
126.02776	1.7
127.35344	1.0
135.30428	0.9
137.02373	1.9
145.45174	0.9
149.02469	1.3
150.03134	1.3
156.06560	0.9
161.02449	19.1
161.04488	1.2
167.03535	2.4
169.01433	10.3
170.01607	0.9
177.01930	2.1
177.05551	1.2
185.11847	1.5
209.11690	1.2
213.01416	1.0
215.12849	4.2
267.07077	1.2
269.04510	3.8
287.05542	4.4
301.03613	1.4
305.06601	2.4
327.21591	2.6
343.24722	3.4
371.24527	1.1
373.25928	100.0
374.26248	10.3
477.30481	1.1
563.33704	1.2
582.10358	1.1
661.31812	1.8
681.36334	1.4
702.73047	1.2
724.35010	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	723.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
55.57201	0.4
59.01373	6.8
61.98815	1.1
69.03444	0.5
71.01379	4.2
73.02962	0.7
78.95898	0.8
80.02693	0.7
81.03445	0.9
83.01380	0.8
83.05027	3.4
85.02958	1.5
87.00877	0.9
89.02439	3.6
89.43201	0.4
95.05020	0.8
96.61233	0.5
98.19862	1.4
101.02431	4.2
112.99504	0.5
113.02445	2.3
119.03476	1.1
125.02428	0.9
136.06284	0.5
143.03465	0.6
161.04514	1.4
163.11270	2.4
164.03207	0.5
165.12816	1.8
167.10870	0.5
167.14441	0.6
171.10179	0.6
179.05614	0.8
179.14418	0.7
183.13902	6.5
183.15413	0.7
184.14082	0.6
191.10764	0.6
193.12350	1.1
195.13884	4.9
196.14601	0.8
209.11818	65.5
210.12189	3.9
211.13377	100.0
212.13736	6.4
223.13289	3.6
227.12854	6.4
228.13411	0.6
229.89799	0.9
235.08226	3.7
236.08450	0.5
253.09286	21.9
254.09518	1.1
256.13168	0.6
275.20111	5.5
277.21698	35.4
278.22043	2.0
293.21213	64.9
294.21555	5.5
342.42603	0.5
447.22226	3.6
529.30389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4317
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
57.72784	2.3
59.01375	8.3
61.98829	17.1
67.79742	2.1
71.01382	6.7
71.52344	3.3
77.91119	1.9
78.19705	2.0
78.95904	7.2
80.91671	2.0
87.00826	2.8
87.05409	2.0
89.02484	3.2
101.02463	5.8
106.17902	2.2
111.56139	2.1
152.99544	5.7
161.04596	2.8
165.12901	10.7
165.13983	2.1
183.13887	76.0
184.14214	4.4
199.13422	3.1
209.11855	9.6
225.11232	2.8
227.12868	8.4
235.08206	2.7
253.09203	6.2
257.78506	2.3
261.32416	2.2
277.21713	100.0
278.21948	12.7
279.23117	2.7
396.43399	2.5
445.20825	2.7
463.22015	4.8
469.14203	2.5
555.01721	2.6
617.11646	2.2
705.36584	4.0
723.43268	66.9
723.55884	3.6
724.43579	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	723.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24168	0.9
52.42502	0.9
57.33444	0.9
59.01383	6.7
61.98830	6.5
63.49110	0.8
71.01358	7.7
73.02911	1.3
78.95905	1.7
85.02919	1.6
87.00840	1.6
89.02425	2.5
99.00871	1.0
100.75450	0.9
101.02438	3.7
107.01212	1.0
111.08172	2.2
113.02388	2.2
115.57085	1.0
133.05066	1.0
145.05016	0.9
152.99622	1.3
161.04543	1.4
165.12868	7.9
183.13899	75.6
184.14235	5.5
184.15678	0.9
192.65961	1.0
209.11862	6.5
227.12839	6.4
235.08209	3.6
253.09326	6.9
277.21722	100.0
278.22028	12.2
279.23230	1.2
284.47470	1.0
428.09470	1.1
445.20416	1.5
463.21732	3.7
723.43243	69.7
724.43500	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	723.433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27064	0.3
55.01857	0.4
59.01381	4.0
61.63356	0.3
61.98847	0.7
62.68094	0.3
66.92815	0.3
70.23549	0.2
71.01380	3.3
72.99316	0.3
73.02944	0.8
76.97253	0.3
78.95906	0.5
79.73948	0.3
79.95721	0.3
80.02685	1.2
80.25031	0.2
81.03481	0.8
83.01403	0.6
83.05025	3.9
85.02955	1.1
87.00890	0.9
89.02458	1.9
95.05051	0.5
98.20651	0.9
101.02444	3.5
109.06613	0.9
113.02447	1.8
119.03546	0.6
125.02345	0.4
125.06100	0.5
125.09762	0.3
135.08139	0.9
145.05040	0.5
161.04556	1.3
163.11270	3.3
165.12840	1.9
173.35651	0.3
179.05652	0.3
181.12296	1.0
188.96001	0.4
191.10754	1.0
199.13383	1.1
207.10249	1.4
208.10640	0.6
209.11824	94.8
210.12181	6.5
225.11174	0.5
227.12891	12.1
228.13121	0.7
229.38959	0.3
235.08228	5.8
253.09277	10.2
254.09656	0.6
255.23375	0.3
255.39731	0.4
259.20822	0.5
275.20184	0.3
277.21713	100.0
278.22037	11.4
463.21854	0.5
516.09167	0.4
532.25305	0.4
572.56555	0.4
723.42944	1.6
753.84827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	10.6
58.44926	4.3
59.01376	100.0
61.98828	66.4
69.03452	9.3
71.01385	71.9
71.54624	6.5
72.99319	5.3
73.02940	11.7
75.00889	8.2
78.95900	12.2
81.03467	6.0
83.01384	11.1
83.05046	8.0
85.02956	20.9
87.00882	11.7
89.02449	51.2
91.34415	4.7
95.01360	6.7
96.96010	10.1
97.02934	14.3
97.06590	10.1
99.00874	8.0
101.02448	48.7
109.06618	4.6
113.02451	26.9
119.03498	15.1
123.04487	10.4
125.02470	47.6
125.09728	20.0
126.02814	5.0
137.02470	7.1
137.09695	6.1
140.78601	4.1
143.03502	8.8
163.11253	13.5
165.12831	5.3
169.01424	30.0
170.52824	4.0
171.10222	9.4
179.05621	13.0
185.11842	19.6
191.14400	15.9
207.10167	9.7
209.11800	46.5
211.13390	7.5
221.06622	4.5
225.11255	8.5
227.12910	16.3
228.53574	5.1
235.08163	12.1
245.19078	36.1
263.20099	10.8
271.17145	5.9
281.21265	5.4
289.18069	95.3
290.18246	12.1
298.47443	4.5
307.19214	60.8
308.19525	6.8
355.34961	4.9
372.24808	5.0
397.13440	17.7
415.14493	17.6
463.75183	4.5
482.03412	4.7
595.80280	5.1
723.34473	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	723.344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07098	6.0
53.25212	6.0
59.01381	85.6
61.98827	100.0
63.55034	6.3
69.03481	10.6
70.52570	6.9
71.01376	71.4
71.55651	8.2
73.02966	9.6
75.00880	17.9
78.95902	30.1
80.96545	6.4
83.04992	8.2
85.02969	15.3
87.00861	13.4
89.02435	52.8
90.73277	7.7
95.05056	7.5
96.96017	15.1
97.02961	13.2
97.06568	16.9
101.02427	44.4
109.02930	7.3
113.02444	22.2
119.03471	18.7
125.02457	53.7
149.09766	8.7
151.11266	11.0
152.99542	9.9
161.04553	10.8
162.01485	6.8
163.25381	6.6
165.12801	10.2
167.03462	13.2
169.01418	44.7
169.65958	7.7
171.10280	11.1
177.01872	10.7
178.80069	7.7
179.05589	8.1
181.12360	14.9
197.11897	16.0
209.11761	39.8
211.13350	7.9
225.21645	7.0
227.12894	28.3
235.08128	9.3
245.19125	17.7
263.20291	9.2
289.18088	25.6
307.19153	47.2
381.28018	7.4
397.13351	11.6
415.14389	13.8
461.45056	7.0
691.35138	10.4
723.39136	13.5
724.36041	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	723.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21054	5.4
51.79799	4.5
56.79961	5.3
57.03443	9.0
59.01378	99.3
61.98831	100.0
69.03442	6.6
70.72695	14.4
71.01382	80.0
72.99307	6.7
73.02938	15.9
80.91720	7.7
81.03446	5.8
83.01391	12.2
85.02948	32.4
87.00861	18.1
88.98817	12.6
89.02428	55.9
95.01351	10.2
96.96022	10.6
97.02920	16.0
97.06578	10.8
97.11952	5.0
99.00871	7.1
101.02455	46.9
109.06590	5.9
109.62027	4.5
113.02440	30.8
119.03481	15.2
123.00887	10.2
124.01594	4.9
125.02443	65.1
125.09713	16.2
143.03461	9.0
163.11241	16.7
165.12834	8.8
167.03452	10.0
167.10660	6.9
169.01442	50.9
171.10240	8.1
177.01889	9.5
179.05597	10.6
184.43669	5.9
185.11806	21.2
191.14346	11.0
197.11798	9.4
207.10318	8.3
209.11806	36.2
211.13316	7.2
221.06801	6.1
227.12842	19.6
235.08185	7.6
245.19159	27.8
259.64658	4.9
289.18082	92.5
307.19125	73.5
397.13470	16.1
415.14670	14.1
591.99323	5.8
679.32739	7.2
723.29309	16.2
724.31805	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	722.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70957	0.5
59.01367	0.8
61.98830	100.0
78.95901	3.2
80.82400	0.5
91.18683	0.5
98.20691	0.9
124.03175	0.5
130.87621	0.5
152.99617	2.8
209.11914	3.3
244.65446	0.7
253.21748	1.3
277.21826	0.7
293.21252	0.8
336.36804	0.7
487.19647	3.1
659.40472	0.7
723.41425	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	723.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.6
57.03452	4.1
59.01387	51.2
60.99333	5.0
61.98831	91.8
61.99150	4.4
69.03458	61.9
69.45132	29.6
71.01377	20.3
72.92593	3.7
72.99304	10.3
73.02937	7.6
74.31939	3.4
75.00888	7.8
83.01377	5.8
85.02948	16.9
87.00883	8.2
88.98820	9.2
89.02461	9.0
94.02986	34.4
95.01390	12.0
95.05030	4.9
96.96022	15.0
97.02950	14.8
99.00871	27.3
101.02413	10.4
107.01414	5.3
108.04554	7.2
113.02442	21.7
117.07169	3.5
122.06092	14.6
124.01678	4.8
125.02444	66.5
126.02798	4.7
132.04628	3.7
136.04042	5.1
137.02440	6.5
138.05589	11.2
139.00363	3.3
142.78531	3.6
144.04512	4.0
147.60559	4.5
151.00299	4.4
160.03925	3.9
161.02463	10.5
167.03558	6.6
169.01425	83.4
170.01692	4.1
175.02496	3.7
177.01877	18.5
185.00868	28.4
201.10376	8.1
213.10249	4.3
215.11923	5.2
229.09822	7.6
235.12564	3.5
239.11823	13.0
242.84644	3.9
249.06195	4.3
251.08353	6.0
251.11739	5.4
255.11325	6.4
257.13232	4.5
263.11896	5.2
264.08963	12.6
265.09879	5.9
267.07266	5.1
267.11295	7.0
273.08978	3.9
273.12189	5.2
279.11343	11.4
283.10806	8.2
291.07953	4.4
291.11340	13.4
292.08414	14.5
293.09341	10.2
301.07199	14.5
301.11960	19.8
306.10165	6.3
307.10843	28.8
308.11569	7.0
311.14417	3.5
313.07208	4.0
319.12952	50.6
325.12070	5.3
327.13696	4.9
341.06717	3.7
350.08954	16.4
351.09827	34.1
352.10248	6.6
365.11368	7.2
372.13626	6.3
386.14929	7.6
387.16003	5.8
414.14655	6.1
429.16953	6.0
444.19232	7.6
446.16919	4.7
456.14899	4.5
463.10272	11.3
474.16626	13.0
481.11539	10.1
488.18265	26.3
509.22128	5.8
520.20947	67.6
521.21173	10.3
527.22711	10.0
533.29437	7.2
537.32794	64.2
538.21686	8.5
538.32928	7.2
545.24622	6.2
551.22766	7.1
566.21167	14.9
569.24048	34.7
585.23950	5.4
587.25269	5.3
601.26038	10.9
613.23322	33.9
614.23199	7.0
627.25110	6.6
631.23907	6.6
633.25568	5.0
645.25562	100.0
646.26068	18.1
661.18018	14.1
663.26782	16.3
677.28186	42.3
678.28333	10.2
679.28601	23.8
680.27466	4.4
691.25732	12.1
723.35358	20.5
724.32855	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	722.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63736	0.5
59.01373	1.0
60.20205	0.5
61.98830	100.0
69.88504	1.5
69.88916	0.9
78.74113	0.4
78.95902	2.9
89.78295	0.4
96.96966	0.5
98.20594	0.8
100.71417	0.4
101.34563	0.4
107.58985	0.4
119.05959	0.4
149.62311	0.4
152.99554	2.0
199.13429	1.0
207.10326	0.6
209.11914	0.6
213.45183	0.4
227.12872	1.1
277.21671	2.7
288.40765	0.5
293.21198	0.9
429.20642	1.2
476.11520	0.5
723.42249	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	722.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	7.1
59.01380	7.0
61.35153	0.6
61.98830	63.9
67.82923	0.6
69.03431	0.7
71.01371	3.1
71.54436	0.8
72.99303	0.9
73.02945	1.5
75.00881	1.4
81.03468	0.7
83.01379	2.3
85.02950	2.1
87.00870	0.6
88.98775	0.8
89.02454	0.8
93.03452	1.1
95.01376	1.0
95.05023	0.9
96.96011	1.6
97.02996	0.7
97.46149	0.6
101.02435	2.0
105.03478	3.0
107.01378	2.2
109.02923	0.9
111.00880	1.3
113.02461	2.8
116.92828	1.2
119.03512	0.6
123.00877	3.3
125.02448	51.9
125.09733	1.6
126.02799	4.0
137.02437	3.1
139.00389	1.3
139.03932	1.2
140.01184	0.9
149.02429	1.1
149.52234	0.6
151.00383	1.3
151.70811	0.6
161.02441	18.9
162.02713	1.5
162.74947	0.7
165.01930	1.0
167.03506	1.6
168.00626	0.8
169.01421	13.9
170.01787	3.0
171.10287	3.8
177.01955	1.9
177.05521	2.1
178.02383	0.7
179.03580	1.0
185.11903	1.1
201.05429	0.6
201.11310	0.9
201.46570	0.6
204.00873	0.6
243.15825	0.7
269.04593	3.5
287.05585	5.4
305.06677	2.7
325.20117	1.2
341.23450	3.9
353.23441	1.0
371.24359	100.0
372.24655	11.3
409.73227	0.7
549.70935	0.8
561.32751	1.8
570.26355	2.4
639.39032	0.7
648.02118	0.6
659.30011	0.8
679.35712	1.2
722.27045	19.0
723.26331	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	722.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.6
60.99318	0.6
61.98830	100.0
69.03463	1.4
71.01370	3.0
71.01709	0.4
71.41374	0.4
72.99306	0.9
81.03484	0.7
83.01404	1.3
85.02962	1.3
87.00899	0.5
88.98790	2.6
89.02444	0.7
94.41931	0.4
95.01387	0.7
95.07800	0.4
95.59042	0.4
96.96017	0.7
97.02968	0.9
99.00881	0.8
101.02462	1.1
102.95148	0.4
109.03024	1.9
109.03637	0.4
113.02471	1.6
118.97941	0.4
119.03469	0.6
121.02954	0.5
123.00848	1.0
124.01672	1.3
125.02449	10.2
125.03315	0.7
135.04626	0.5
136.01666	0.5
137.02441	2.7
138.03241	3.3
139.03990	2.1
140.01172	0.6
150.01053	0.4
161.02473	1.2
164.01161	0.7
165.01926	3.6
167.03516	2.0
169.01418	14.0
170.02121	0.4
177.01900	1.8
177.05621	1.1
179.03500	1.0
204.04286	0.5
217.05157	0.4
219.06702	0.9
221.04587	1.3
235.09026	0.4
249.06204	0.4
263.05646	0.4
266.09940	0.4
291.11401	0.4
293.09531	0.9
301.07196	0.7
342.26981	0.4
349.03381	0.4
350.09229	0.7
356.09781	0.6
362.10013	0.7
363.10660	0.5
371.24384	0.4
431.54977	0.4
463.10486	0.9
479.22943	0.7
481.11273	1.0
491.23248	1.4
492.23337	0.6
501.31137	0.5
533.22986	0.5
533.30389	0.8
535.31616	0.7
536.31708	1.5
571.18726	1.7
602.22504	0.9
632.24579	0.4
645.26642	0.5
659.27045	31.3
660.27338	6.3
663.36292	1.2
672.21155	0.8
690.23096	1.3
722.32849	0.8
723.20117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
59.01380	7.8
61.98831	93.8
63.99260	1.7
68.99563	2.3
69.03479	1.5
71.01380	4.6
71.55921	1.9
77.30116	1.5
79.95740	18.9
80.96505	1.8
83.01392	2.4
83.04987	1.5
85.02963	3.8
89.02444	2.8
89.99625	1.4
95.01395	1.8
95.95232	5.0
96.96021	20.6
99.00880	1.9
101.02467	4.3
105.04947	1.5
107.01402	1.7
108.49086	1.3
112.98582	1.7
113.02445	3.1
121.06603	2.3
123.00926	1.9
124.40734	1.4
125.02467	14.2
127.03926	1.4
136.05328	21.0
137.02435	2.2
149.02371	1.8
149.06100	4.1
150.06918	2.8
161.02396	2.2
163.07626	1.6
164.08418	2.3
165.09216	26.4
169.01442	18.0
172.95676	1.6
172.97673	1.6
177.01956	1.8
209.11870	3.5
241.18195	2.0
249.11670	1.9
251.19850	1.6
253.21713	2.2
313.23822	17.5
323.22372	7.6
371.24606	1.8
397.13599	3.3
461.32706	5.1
478.32922	9.5
479.33768	25.3
480.34039	4.8
559.29633	5.3
607.21191	2.7
632.77155	1.9
641.38782	2.1
721.34912	100.0
722.35071	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13104	0.6
57.03429	1.7
59.01382	4.9
61.98831	54.1
67.01897	1.1
68.99798	0.8
69.03445	1.0
69.68269	3.0
69.68668	1.0
71.01373	5.7
72.99297	0.9
73.02943	1.4
78.91846	0.6
79.01897	1.1
81.03465	0.9
83.01367	1.7
83.05005	0.6
85.02940	2.1
87.00887	1.4
87.04491	0.7
88.98801	1.0
89.02444	1.6
95.01391	3.8
96.96006	2.0
97.02968	1.5
98.20590	0.7
98.27992	0.5
99.00903	3.7
101.02444	3.7
107.01392	12.1
107.04986	0.6
109.02923	1.2
111.00863	3.2
113.02448	2.7
116.65137	0.5
119.05012	0.7
123.00890	15.3
124.01633	2.4
125.02448	61.1
125.09715	0.8
126.02768	2.3
127.00335	0.9
136.98796	2.2
137.02425	1.9
139.00395	7.0
139.04016	0.8
140.01134	5.5
141.01860	1.4
151.00380	9.1
153.01932	0.6
161.02493	3.2
163.11256	1.5
165.01920	0.9
167.03432	1.9
168.00650	5.7
169.01424	57.1
170.01720	2.4
171.10318	0.7
177.01973	0.9
178.70081	0.7
179.03439	1.1
181.04939	0.8
181.12302	2.7
182.28568	0.6
185.11887	0.9
193.01389	0.8
199.13422	0.8
207.10213	2.4
209.04596	1.0
209.11835	4.3
211.02380	1.4
222.46577	0.6
225.11366	3.4
240.04294	1.4
243.12314	1.5
253.03467	0.8
271.04495	1.3
287.05527	1.4
293.21436	0.8
305.06601	0.6
313.05563	3.8
371.20618	0.4
371.24347	18.1
515.28613	1.8
551.24988	1.4
569.12842	1.2
569.25964	19.1
570.26520	3.5
671.31927	0.9
689.33783	11.1
690.33917	1.8
721.26984	100.0
722.27203	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25470	1.0
59.01362	4.5
63.28741	1.0
67.01863	1.0
69.03444	2.2
69.19180	10.9
71.01367	4.3
72.99298	1.2
73.02933	1.6
78.70527	1.0
80.83433	1.0
83.01353	1.8
85.02930	3.0
87.00865	1.3
87.28063	1.1
95.01363	3.9
96.95999	2.4
97.02956	2.6
99.00880	1.9
101.02425	1.4
107.01389	14.7
111.00895	5.6
113.02454	2.2
120.33598	1.0
120.79348	1.1
121.02939	1.5
123.00869	14.9
124.01659	3.0
125.02448	62.7
126.02740	1.6
127.00366	1.8
136.98799	2.7
137.02452	1.9
139.00346	9.2
139.03946	1.6
140.01160	8.4
149.02390	1.4
151.00360	10.3
151.03973	1.2
153.01927	1.2
154.52721	1.1
155.03477	0.9
161.02419	0.9
163.03993	1.2
165.05571	1.0
166.06313	10.4
167.07173	1.3
168.00644	11.0
169.01424	74.2
170.01753	3.1
177.01987	1.6
181.01309	1.2
181.08699	6.0
182.02278	1.3
183.02965	2.5
193.01393	1.3
211.02472	2.6
271.04584	1.1
313.05615	3.9
315.26495	1.1
316.02069	2.2
479.08487	2.2
509.12619	1.5
569.19122	16.4
570.18732	2.4
706.62714	1.1
721.19739	100.0
722.20166	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	721.089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32465	1.8
59.01368	2.6
63.02404	2.0
65.00314	4.3
69.16331	18.3
71.01400	3.0
71.83755	1.5
83.01372	3.6
90.31056	1.8
92.94203	2.0
93.35403	1.9
97.32304	1.7
98.20680	4.5
102.13792	1.9
107.01376	10.1
109.02941	5.4
111.96209	1.8
113.02437	2.6
121.02953	3.9
123.00867	2.2
125.02449	11.5
137.02463	18.9
145.01421	2.4
150.55814	1.8
151.00365	34.3
151.02150	2.0
155.13632	1.9
165.01907	3.7
169.01430	8.7
178.99892	24.9
240.09631	2.1
316.02158	6.1
317.03009	100.0
318.03296	6.3
352.85037	2.3
479.08121	3.6
483.12775	3.6
497.14474	2.9
499.98157	2.1
631.09277	33.1
632.09784	7.6
721.19720	10.4
749.80341	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	720.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78275	0.4
53.04525	0.5
59.36550	0.4
61.98829	100.0
71.53413	0.6
86.89341	0.5
150.69930	0.5
163.11290	0.7
207.10289	1.6
209.11874	0.6
209.92805	0.5
225.11305	1.2
253.09273	0.6
255.23361	0.9
256.23553	0.8
277.21729	2.3
287.69983	0.5
350.14777	0.5
393.48926	0.5
721.41895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99806	0.4
53.33030	0.4
54.58569	0.5
56.04778	0.4
59.01376	5.6
61.98832	100.0
63.57778	0.4
71.01405	1.0
78.95941	0.9
89.02454	0.6
128.25800	0.4
136.00969	0.5
167.10748	0.5
195.13922	1.1
196.14319	0.5
205.12379	1.7
206.12737	1.3
209.11902	1.5
223.13411	13.3
223.15623	0.7
224.13745	7.0
253.09389	2.0
254.09685	0.6
255.23398	0.6
277.21719	12.9
278.22055	8.8
278.24899	0.7
327.39444	0.4
460.23145	1.1
720.44824	1.1
721.42273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
59.01385	1.6
61.98830	100.0
63.53288	0.3
69.03446	0.3
71.01396	1.4
71.53337	0.2
72.99303	0.3
75.00848	0.2
81.03481	0.3
83.01439	0.3
85.02959	0.4
88.98819	0.3
89.02456	0.6
95.01398	0.2
96.96032	0.8
101.02450	0.6
107.01429	0.3
113.02502	0.5
123.00941	0.6
125.02438	2.8
137.02432	0.4
139.00375	0.3
151.35388	0.3
161.02426	0.3
165.09225	0.3
167.03471	0.6
168.00587	0.3
169.01396	2.6
177.01945	0.3
197.11905	1.1
198.12190	0.4
209.11823	1.1
210.12225	0.2
235.56279	0.2
258.10556	0.2
296.00760	0.2
323.22287	1.7
329.75110	0.3
388.48929	0.3
397.13565	0.6
415.14767	0.7
476.19730	0.2
569.25769	0.3
657.35034	2.8
658.35260	0.6
688.22919	0.4
688.32770	1.9
689.33673	0.4
720.25531	0.4
720.36591	0.4
721.26025	0.6
721.35773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30896	0.2
59.01379	1.8
61.98831	100.0
71.07879	0.4
71.08224	0.5
73.55731	0.2
77.51205	0.2
78.95911	0.4
124.33474	0.2
125.02467	0.4
152.99655	0.3
169.01424	0.3
171.10197	0.2
207.10347	0.3
211.13440	1.4
225.11380	0.2
255.23448	0.5
277.21786	0.3
291.19775	1.0
445.14703	0.2
574.18805	0.3
630.38489	0.2
630.72888	0.2
720.22662	2.2
721.22253	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.7
60.20844	0.5
61.98828	33.2
67.01831	0.5
68.09361	0.5
69.03456	1.7
71.01377	3.9
71.05047	0.8
84.34293	0.5
85.02951	1.2
85.06603	0.6
87.00927	0.9
89.02448	2.4
98.19859	1.5
101.02435	3.3
113.02467	2.4
119.03448	0.8
132.05925	0.5
141.14584	0.5
149.09740	0.6
161.04541	1.2
167.10739	1.9
177.12923	0.8
179.10789	0.7
179.14444	3.0
195.13911	6.8
205.12355	7.5
223.13394	81.4
224.13710	5.9
235.08234	4.9
253.09299	9.7
277.21710	100.0
278.22043	8.9
335.80673	0.5
425.60321	0.6
441.21277	1.9
448.40659	0.5
448.84628	0.7
459.16382	0.8
459.22351	4.9
460.22772	0.7
503.74899	0.6
578.95764	0.6
590.72272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56711	0.1
59.01385	0.3
61.98829	100.0
62.98513	0.2
62.99239	0.2
67.72072	0.1
71.18356	0.3
74.37784	0.2
125.02440	0.5
169.01512	0.4
171.10281	0.2
193.94862	0.1
211.13486	0.2
331.71399	0.2
385.42368	0.2
481.50018	0.2
510.02280	0.2
652.26471	0.2
692.05084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69901	0.7
57.03452	0.9
58.00599	0.7
58.72472	0.7
59.01378	5.7
61.96941	0.7
61.98829	100.0
65.39381	0.7
67.55626	0.6
67.55990	0.6
69.03449	1.8
71.01368	3.7
71.52163	1.1
73.02926	1.1
75.00871	1.5
81.03452	0.9
81.87248	0.6
83.05025	2.1
85.02939	1.6
87.00881	1.3
88.98795	1.3
89.02454	2.6
95.01403	1.0
96.96018	2.8
99.00864	0.7
101.02433	1.7
102.40512	0.8
103.43845	0.7
107.01337	0.8
109.02962	0.6
111.00922	1.1
113.02457	1.8
116.92932	0.7
119.03478	0.8
123.00906	2.3
123.08128	0.7
125.02444	7.9
137.02493	1.2
151.00366	1.1
151.11273	1.1
153.12852	0.9
161.02498	1.1
161.09741	1.3
163.11288	1.3
165.12924	0.7
167.03593	1.3
168.00629	0.8
169.01399	9.0
177.01984	1.7
179.03494	0.9
179.09358	0.7
179.10806	2.8
197.11819	29.1
198.12195	1.8
209.11807	21.8
209.13788	1.5
210.12144	1.9
227.12944	1.7
241.10922	1.0
253.09341	1.3
316.15341	0.7
353.23318	0.9
477.19540	1.1
493.05917	0.8
567.24213	1.5
657.34808	6.3
687.32281	37.8
688.32501	6.1
719.25348	2.8
719.35840	9.3
720.35492	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	717.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.5
59.01381	25.4
59.19355	1.0
60.39414	1.1
61.98826	1.7
69.03432	1.4
69.52496	6.0
69.52919	2.0
71.01387	10.8
71.98827	1.1
72.99297	2.9
73.02934	2.1
79.41633	1.0
79.84678	1.1
83.01363	1.3
85.02493	1.0
85.02949	6.4
87.00840	1.3
88.98795	1.4
89.02470	6.1
91.18475	1.2
94.65218	1.2
95.01391	2.3
96.96014	5.7
98.19828	1.3
99.00864	2.5
101.02426	3.8
101.53210	1.0
107.01385	1.5
108.02177	48.6
109.02998	10.8
113.02437	5.3
119.03491	2.6
121.02967	1.5
123.00888	2.1
123.04519	1.9
125.02457	12.0
133.02930	1.2
133.57166	1.1
135.04471	2.5
139.58733	1.2
149.02434	1.1
150.03194	1.7
151.04024	2.2
152.01155	100.0
153.01753	4.9
161.04599	2.6
163.03961	4.7
165.05553	1.1
167.03510	1.3
169.01421	11.8
170.01765	1.5
177.01886	3.3
177.05551	1.4
179.03555	1.3
181.04953	1.1
195.06544	1.1
227.12823	5.5
269.14212	1.5
283.15634	1.3
287.14868	2.7
429.10336	11.9
447.11401	10.9
489.12338	4.5
492.91165	1.2
502.20383	1.6
523.25330	1.3
590.68945	1.4
601.53070	1.2
654.21118	7.5
699.24939	4.9
700.24426	2.0
708.78784	1.3
717.25995	87.1
718.26428	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90054	1.2
59.01379	100.0
61.98829	41.4
71.02642	1.9
72.52539	1.3
91.57104	1.3
125.02402	2.1
145.51628	1.2
169.01328	1.4
214.25447	1.3
224.90492	1.2
276.73331	1.2
303.36877	1.5
316.01871	1.4
345.72394	1.2
449.06226	1.3
453.11963	2.7
457.18954	1.9
459.16794	2.4
467.14050	1.6
481.11279	3.0
495.17084	2.9
496.13879	13.9
497.14371	9.8
498.15228	4.3
510.15463	5.7
511.16010	11.8
512.16956	4.6
513.17731	4.3
539.19379	2.0
544.16327	6.4
545.16266	2.2
553.16815	2.2
567.18921	12.4
568.18726	2.4
570.17340	2.6
571.18286	13.5
572.18341	3.0
589.18909	2.1
597.20148	2.6
598.20636	3.4
599.21472	41.1
600.21643	10.4
602.16882	2.4
625.19867	1.9
630.19629	3.1
650.85779	1.5
657.21918	21.5
658.22400	7.1
659.22333	1.4
717.24133	88.5
718.24402	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
57.03440	4.4
59.01381	31.7
61.98829	7.8
68.99799	1.0
69.03458	1.8
69.37221	3.2
69.37659	3.9
71.01386	27.7
71.05022	6.4
72.99302	6.5
73.02959	3.4
75.00873	32.9
83.01392	2.7
84.02174	0.9
85.02951	29.5
87.00880	7.1
89.02457	2.6
95.01389	3.9
96.95990	1.4
97.02941	1.2
99.00884	11.6
101.02454	3.4
107.01368	1.1
109.02953	1.4
111.00896	0.9
113.02447	27.3
113.03248	1.3
115.00384	3.2
117.01943	1.8
121.02972	6.9
123.00887	0.8
125.02446	5.6
129.01917	1.1
134.03760	6.0
136.27388	0.7
139.00301	1.1
139.88441	0.7
141.33298	0.8
145.49686	0.9
147.00897	1.6
157.01447	2.6
161.02463	1.6
163.03975	1.0
165.01904	1.1
167.03496	0.7
169.01431	3.5
175.02441	4.6
177.09200	2.1
197.39285	0.8
213.07776	1.6
221.08170	17.1
222.08624	0.9
222.83832	0.8
381.11905	1.2
413.14471	1.9
565.15576	3.7
613.21265	1.3
635.19800	0.9
655.23492	2.2
673.23462	100.0
674.23792	18.9
717.36499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28193	1.3
57.03444	25.7
59.01377	26.3
67.26444	1.2
69.03441	1.3
70.04806	4.9
70.05190	2.2
71.01385	3.1
73.02920	2.1
75.00859	2.4
76.75323	1.4
85.02958	7.7
86.78117	1.4
94.13605	1.3
94.72222	1.4
96.96017	3.3
99.04514	4.0
101.02467	1.7
109.06602	14.6
111.04529	7.4
113.02463	2.0
121.02973	1.9
123.00849	1.5
123.08139	2.3
125.02419	7.2
135.08173	21.5
137.09711	15.3
138.06813	2.7
149.09697	6.1
151.00374	2.5
153.09218	4.8
163.11325	8.9
167.10774	11.4
169.01424	8.3
177.09195	25.2
178.09595	1.6
191.10779	7.8
193.12325	100.0
194.12700	7.3
195.13872	2.2
211.11475	2.4
211.13405	42.6
212.13690	4.1
217.12317	5.1
235.13428	25.4
236.13797	1.7
247.85130	1.5
253.14458	19.1
255.12482	2.0
281.71124	1.6
297.13541	9.0
375.09299	21.5
377.90323	1.5
411.15237	6.7
431.86832	1.5
495.07620	3.2
495.86026	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	717.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	3.7
61.63361	3.0
71.01389	15.4
74.04250	2.8
78.87929	3.4
81.03474	3.1
87.22514	3.1
87.89487	2.8
96.95998	11.7
98.19800	6.0
107.01352	3.5
108.02150	3.4
109.02952	4.3
115.00368	12.4
121.02959	96.6
123.00912	4.4
124.01656	3.8
125.02450	29.6
137.02444	3.8
150.03244	9.8
151.00357	10.1
155.03526	3.7
162.61707	3.5
165.05531	6.3
169.01434	29.9
177.01988	4.7
178.99812	4.2
191.05559	3.8
237.04002	11.6
240.27069	3.3
242.02269	5.0
259.02271	5.2
270.01718	6.1
271.02441	24.4
272.02756	4.2
273.04053	4.9
287.02164	19.3
305.38553	3.5
313.05603	10.1
315.98453	4.8
316.02176	98.1
317.02985	25.0
325.05753	3.8
444.21765	3.6
468.87454	3.8
479.07867	100.0
480.08124	17.1
554.43243	3.5
635.88397	3.3
717.20679	3.7
743.03381	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	716.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21047	0.1
59.01388	0.2
61.56444	0.1
61.98829	100.0
62.98535	0.2
68.56239	0.1
71.01372	0.1
98.19838	0.2
116.53093	0.1
144.45992	0.1
151.08286	0.1
182.44818	0.1
255.23216	0.1
256.23764	0.1
330.55237	0.1
379.33081	0.1
433.04144	0.1
499.27313	0.1
557.22375	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.35179	1.5
92.55879	0.2
98.19889	0.4
104.44630	0.2
136.90266	0.2
185.23051	0.2
214.95264	0.2
255.19234	0.2
287.66724	0.2
659.15741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	21.7
59.01379	25.3
60.78268	1.0
65.05469	1.1
71.01381	1.7
71.13325	2.6
73.02959	2.1
85.02962	5.9
93.00047	1.2
96.26745	1.2
97.59877	1.1
99.04519	2.4
99.15649	1.0
101.02412	1.3
109.02987	1.4
109.06589	15.3
111.00915	1.2
111.04530	10.3
121.06529	1.6
123.00871	3.2
123.04533	2.9
123.08165	2.9
125.02415	5.3
135.08168	21.7
136.08447	1.5
137.09720	12.5
138.06866	2.2
140.01114	1.3
142.31026	1.3
149.09692	6.2
151.00345	3.0
153.09195	6.7
163.11279	10.1
167.03520	8.2
167.10767	10.3
169.01369	6.8
177.09200	27.0
178.09570	1.9
178.13139	1.1
179.10764	1.2
191.10779	6.9
193.12331	100.0
194.12688	6.5
202.10007	1.2
211.06117	1.2
211.13377	43.1
212.13724	3.9
216.09970	1.2
217.12404	4.1
235.13396	25.7
236.13777	3.2
240.11198	1.2
253.14450	16.1
254.14833	1.8
255.12294	1.7
297.13361	9.1
329.08652	1.1
373.11389	7.7
417.14053	29.5
418.14282	2.2
498.03986	1.3
516.08398	1.1
715.76086	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.2
58.23511	2.2
59.01381	7.0
61.98827	6.3
68.98605	1.9
71.01381	8.8
71.06253	2.2
72.99316	4.0
75.00877	9.0
78.95911	2.8
85.02504	1.9
85.02940	12.2
87.00921	2.7
95.01402	3.0
98.19814	2.9
98.68845	1.9
99.00880	6.8
113.02454	8.7
127.05612	2.4
127.19931	2.2
141.29468	2.2
165.12862	4.5
175.02563	2.6
183.13907	35.6
209.11865	1.9
249.06236	2.2
255.23286	63.4
256.23657	4.1
333.94653	2.1
653.42725	4.4
715.42810	100.0
716.43243	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60173	0.6
55.01854	1.2
57.03442	1.5
59.01380	5.4
61.98836	6.4
63.02382	1.1
65.00311	1.1
67.01893	1.2
69.03439	1.9
70.99073	1.6
71.01393	6.6
72.99299	1.7
73.02939	1.3
75.00871	1.3
79.01884	0.9
81.03432	0.8
83.01363	2.0
85.02947	4.3
85.08605	0.7
87.00856	2.2
89.02399	1.5
90.71676	0.6
93.03440	2.0
95.01340	1.4
95.61008	0.7
96.96014	5.3
97.02933	2.1
101.02415	1.1
104.10281	0.7
107.01388	8.9
108.02197	0.7
109.02942	1.8
111.00862	2.2
113.02445	2.5
119.05061	0.8
123.00899	8.1
124.01640	1.9
125.02453	55.4
126.02782	1.9
127.00438	0.7
127.03982	1.4
129.01984	0.7
132.02174	0.8
135.00957	0.9
136.98814	1.5
137.02415	1.8
139.00369	4.2
140.01158	3.3
149.02415	1.2
150.03229	1.3
150.06741	0.7
151.00377	11.4
151.03935	0.7
153.01883	1.5
161.02379	1.1
161.04555	0.6
163.00362	1.6
163.03978	1.2
165.01886	1.0
165.05586	0.9
166.99837	0.6
167.03494	1.2
168.00627	4.8
169.01428	58.4
170.01816	1.3
173.06059	0.7
177.01897	1.7
178.02155	0.6
178.99840	1.8
185.06013	1.5
187.03992	1.6
189.05612	0.7
191.01933	0.7
195.06821	0.7
199.04070	1.0
209.04518	4.5
211.03979	1.9
227.03494	17.1
228.03810	1.1
229.05054	6.0
237.04021	2.0
239.03462	1.9
240.04054	1.1
241.05092	1.1
245.25027	0.6
255.02985	31.6
256.03549	5.3
257.04517	4.5
271.04602	0.7
276.86075	0.7
281.06683	1.8
283.02432	0.9
284.03256	44.6
285.04025	35.4
286.04376	1.5
287.65442	0.7
297.06119	5.7
317.02930	1.4
407.51089	0.9
413.08911	0.7
429.10382	5.6
563.13953	0.9
563.26971	0.8
629.88690	0.9
715.15100	100.0
716.15320	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.3
68.64317	0.8
71.01370	1.2
79.63342	0.9
79.95731	1.3
96.96008	44.5
98.20766	1.6
109.02976	0.9
122.24881	0.9
125.02445	3.7
137.02460	1.1
151.00360	2.5
166.28857	1.2
169.01370	2.2
178.99875	1.8
189.31071	0.9
190.91670	0.8
223.78059	0.8
225.51759	0.8
317.02969	6.8
318.03241	1.3
529.74768	0.9
586.66168	0.9
615.09668	5.1
616.10480	1.7
677.49237	3.5
703.50531	1.1
713.47339	100.0
714.47632	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	713.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.4
57.03694	0.5
59.01376	0.6
64.39690	0.3
69.03458	0.8
69.83023	1.7
72.06735	0.3
73.53501	0.4
81.03446	0.7
95.01386	0.5
97.02975	0.8
98.19916	0.4
105.03508	0.6
107.01395	0.9
109.02974	0.6
111.04530	0.5
123.00889	0.9
124.01688	0.6
125.02453	51.8
126.02803	1.6
127.34969	0.4
135.08195	0.6
136.00217	0.4
137.02437	1.7
138.06789	0.3
139.04036	0.7
139.17465	0.3
153.09241	0.5
161.02455	3.6
165.01915	1.0
167.03473	1.3
169.01430	100.0
170.01759	4.0
179.03528	0.7
193.01402	1.5
193.12350	1.4
198.20360	0.4
205.14157	0.4
211.13365	0.8
219.06708	0.7
251.28835	0.3
269.04562	1.1
287.05704	1.2
305.06662	3.9
306.06967	0.4
331.04617	1.4
335.12589	0.5
371.13522	0.4
415.12488	1.2
457.07748	10.2
458.08035	1.3
466.66568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
58.27207	0.3
58.86854	0.3
59.01380	1.7
61.98833	20.1
62.60350	0.3
69.03470	1.3
69.39406	1.1
69.39828	1.3
71.01382	1.0
73.02943	0.4
75.83305	0.3
81.03448	0.4
83.01392	0.7
83.05035	0.3
85.02961	0.4
88.98792	0.4
95.01376	0.9
96.96028	0.7
97.02966	1.2
97.06584	0.4
101.02432	0.6
105.03451	0.8
107.01380	1.1
109.02959	0.9
113.02458	0.8
114.44651	0.3
121.02941	0.5
123.00881	1.3
124.01669	5.4
125.02452	48.5
126.02801	1.7
130.14880	0.3
137.02461	1.5
138.03220	1.4
139.04021	1.1
149.02379	0.5
149.06093	0.4
151.00339	0.3
151.04028	0.4
160.10043	0.3
161.02449	5.0
162.02769	0.4
164.01129	0.7
164.04774	0.6
165.01868	2.1
167.03572	1.8
169.01427	100.0
170.01776	4.2
175.03979	0.3
177.01891	1.1
177.05597	0.7
179.52287	0.3
193.01395	1.2
201.05472	0.3
203.03481	0.4
210.27411	0.3
219.06693	0.5
221.04538	0.8
224.28113	0.3
249.18666	0.7
317.17566	9.0
318.17920	0.8
319.04578	0.5
329.17548	1.1
357.17056	0.6
383.08026	0.4
453.22641	0.4
461.19556	1.2
479.20844	4.4
480.20825	0.6
497.21841	7.8
498.21954	1.6
523.19672	1.3
539.02362	0.3
637.23834	0.3
649.22894	5.5
650.22955	1.1
712.35645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50600	0.3
58.96208	0.3
59.01375	2.5
60.18193	0.3
61.07259	0.3
61.98832	4.9
64.43505	0.3
67.01884	0.5
69.03447	1.6
70.83475	0.9
71.01402	1.0
72.99320	0.5
73.02969	0.4
75.00869	0.4
81.03449	1.0
83.01385	0.9
85.02956	1.2
88.98795	0.4
89.02447	0.5
93.03488	0.5
95.01388	1.0
96.96009	0.8
97.02961	1.3
97.06606	0.6
105.03477	1.0
107.01391	0.5
109.02937	1.0
113.02448	1.3
121.02922	0.7
122.03729	0.5
123.00887	1.3
124.01676	4.6
125.02443	50.2
126.02801	2.0
133.02856	0.3
137.02415	1.0
138.03209	0.9
139.03992	1.1
149.02409	0.5
151.00319	0.6
151.04013	0.6
161.02440	4.4
163.03986	0.6
164.01170	0.7
164.04787	0.5
165.01910	1.4
166.99792	0.6
167.03513	1.0
168.00549	0.4
169.01414	100.0
170.01758	5.0
175.03963	0.4
177.01970	0.7
177.05528	0.6
179.03600	0.3
193.01357	2.0
219.06680	0.7
221.04543	0.5
249.18611	0.4
250.71291	0.4
301.03476	0.7
317.02975	0.4
317.17563	6.0
318.17743	0.4
329.17545	1.1
357.16983	0.5
461.19510	0.9
479.20746	3.5
480.21255	0.8
497.21881	6.4
498.22058	1.1
523.19690	0.9
560.18152	0.8
649.22858	4.7
650.22766	0.7
712.18542	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
57.55527	0.4
59.01374	2.3
61.04320	0.4
63.02374	0.5
65.54288	0.4
67.01895	0.5
67.80531	0.4
68.99843	0.5
71.01365	2.3
71.55621	1.0
72.99302	0.6
73.02960	0.7
75.00871	1.0
79.95738	3.5
85.02953	2.2
87.00877	1.1
95.01366	0.7
96.96009	100.0
99.00897	0.9
101.02439	0.7
105.50099	0.5
107.01380	1.8
111.00866	0.8
113.02460	1.3
114.31403	0.5
123.00884	2.0
125.02446	11.7
135.70674	0.5
137.02415	1.6
139.00354	0.7
151.00360	3.3
152.01157	0.5
163.00404	0.7
165.01929	0.6
166.05057	0.5
167.03467	0.8
168.00626	1.7
168.99985	0.8
169.01418	14.2
170.01772	0.5
177.01904	1.1
177.04073	1.4
178.99866	1.6
190.36275	0.4
193.01460	0.7
211.02475	1.3
224.09543	0.6
231.07794	0.4
261.59720	0.4
267.11597	0.6
270.01944	0.5
271.02197	1.0
287.01831	0.8
313.54770	0.4
316.02234	2.1
317.03040	5.8
329.05161	0.8
373.25845	1.0
391.27063	1.5
436.14633	0.5
447.20883	0.4
481.06332	0.5
492.21927	0.4
497.16428	1.2
535.30615	0.4
548.13165	0.8
615.09833	14.9
616.10614	0.7
649.17694	12.8
650.18182	2.5
680.17560	0.8
711.34552	3.3
712.35236	3.9
713.29590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79689	2.7
59.01379	31.6
61.98833	8.3
63.70981	3.7
71.01378	23.8
83.01380	5.6
85.02943	5.3
87.00882	10.7
89.02446	35.1
89.13866	2.8
97.02953	6.9
98.20650	6.1
101.02452	22.0
113.02457	12.3
119.03503	8.3
124.01704	3.0
125.02439	25.9
143.03522	3.7
161.04539	5.8
169.01353	8.7
179.05571	7.0
235.08212	12.5
253.21715	89.6
254.22002	9.6
254.98167	3.2
293.21060	5.6
397.13501	100.0
398.13672	7.7
415.14612	29.8
704.93579	3.2
718.03723	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	711.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.01376	9.3
61.98822	8.3
69.71992	0.8
71.01377	4.0
71.52280	1.5
72.99297	1.5
73.02941	1.0
75.00863	1.4
78.95921	1.7
79.01894	0.9
81.03439	0.9
83.01409	1.1
84.18211	0.8
85.02946	3.2
87.00864	1.1
88.98836	1.3
89.02440	2.6
95.01364	2.3
96.55994	0.7
96.96001	1.1
97.02961	1.9
101.02431	3.3
107.01388	8.5
109.02964	1.1
111.00861	3.1
113.02451	3.2
123.00878	9.8
124.01669	1.6
124.68394	0.8
125.02443	46.7
126.02742	2.1
130.30307	0.9
136.98747	1.2
137.02408	1.5
139.00351	3.8
140.01164	4.2
141.01961	1.0
151.00346	6.4
152.01138	1.8
164.32579	0.9
165.01971	1.2
167.03493	1.9
168.00636	7.1
169.01424	61.3
170.01762	2.7
179.03455	0.8
193.01454	1.8
195.57521	0.8
211.02463	11.0
271.02219	1.2
271.04617	13.3
287.01779	1.1
313.05609	2.9
316.02194	3.8
331.06473	0.9
523.21808	14.3
524.21942	2.6
675.22894	100.0
676.23224	21.2
711.24579	3.2
711.36279	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	710.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69770	0.5
56.45035	0.5
57.03439	1.6
59.01383	4.8
61.32004	0.5
61.98830	19.5
66.11329	0.5
67.01879	1.0
68.14589	0.5
69.03451	2.2
71.01375	2.7
71.55337	0.8
73.02943	1.1
75.00867	1.2
79.01871	0.8
81.03442	0.6
83.01382	1.3
85.02955	2.2
89.02432	0.7
91.03816	0.5
93.03450	1.2
95.01378	2.3
95.05042	0.7
96.96024	1.6
97.02946	1.7
97.30172	0.6
99.00867	1.2
101.02450	0.5
107.01390	2.3
109.02948	8.1
111.00859	0.8
113.02441	1.5
116.92857	0.6
119.05024	0.6
121.02938	1.2
123.00880	6.3
123.04530	6.3
124.01642	1.4
125.02447	58.8
126.02785	4.4
126.90462	0.7
133.02960	1.6
135.04500	1.0
135.57965	0.6
136.98759	1.0
137.02457	1.8
138.03233	4.0
138.85771	0.5
139.00372	2.0
139.04022	0.8
140.01129	1.7
145.02916	3.4
147.04457	1.2
149.02470	3.3
151.00374	1.1
151.04028	6.1
153.05592	1.5
159.04514	0.6
161.02429	2.2
161.06013	0.8
163.04047	0.6
164.01205	0.5
164.04646	0.7
165.01985	0.8
166.99818	3.9
167.03502	1.1
168.00665	3.4
169.01422	100.0
170.01770	6.8
171.01950	0.7
173.05905	0.6
175.03964	0.9
177.01927	18.3
178.02339	1.1
187.04021	1.3
189.01929	13.0
190.02713	4.8
191.03494	4.1
193.01425	6.3
201.01892	1.1
203.03485	1.4
205.05080	2.2
211.02435	0.8
216.00677	2.7
217.01373	12.6
218.02017	1.7
219.03009	4.8
227.07071	0.8
229.04933	0.6
229.08762	0.8
231.02960	3.4
232.03520	0.6
243.02885	0.5
253.04878	0.7
257.04285	0.7
271.06097	2.3
274.04922	0.6
275.05649	1.0
279.06860	0.7
281.04572	2.8
285.04144	1.4
289.07184	3.6
297.04562	0.7
297.07584	3.0
301.03430	0.6
303.05157	3.9
323.05533	4.4
331.08237	6.3
332.08871	1.7
333.65613	0.5
337.07104	1.0
341.06656	29.7
342.06985	2.9
343.08212	3.6
345.35336	0.5
355.08221	2.2
371.07632	2.8
373.26190	0.6
477.11807	7.5
478.12311	1.3
495.12985	50.5
496.13260	8.3
537.10425	2.8
540.64868	1.3
541.15778	0.8
559.17010	0.6
647.14056	12.5
648.14349	2.6
666.33551	1.4
673.21521	1.7
674.11261	0.7
674.21735	3.1
675.22827	1.7
709.36774	0.9
710.24036	3.0
711.25928	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
59.01378	5.6
61.98827	3.7
69.03470	0.9
69.67400	4.0
71.01396	3.2
73.02963	0.8
77.91182	0.6
78.95906	6.6
83.01365	1.0
83.05047	1.7
85.02960	1.6
87.00878	2.0
89.02444	2.2
92.96710	0.7
95.01392	1.0
95.05014	1.9
97.06582	5.6
98.20661	0.9
101.02413	3.7
109.58749	0.8
113.02436	1.7
119.03517	1.1
119.04377	0.8
125.02390	1.1
125.49104	0.6
127.11263	0.9
145.05112	0.9
151.11273	16.4
152.99576	8.5
161.04494	1.4
169.12337	48.1
170.12643	2.3
171.00577	1.1
195.10199	4.5
201.11328	9.8
209.11830	7.8
210.12202	0.8
213.11299	6.6
227.03171	0.7
227.12901	0.9
235.08257	1.7
243.21591	0.7
253.09183	4.6
253.21672	2.0
260.25452	0.7
277.21704	53.6
278.22012	4.9
279.23300	2.1
280.89227	0.8
431.19186	2.6
449.20065	4.1
455.16916	2.1
466.56982	0.7
473.17816	9.6
490.39893	0.8
691.37756	1.0
709.41455	100.0
710.41791	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93225	1.7
61.98829	11.5
71.01380	8.0
73.02951	1.7
78.98586	6.1
79.95744	12.9
80.96516	79.4
85.02964	2.5
87.00838	2.4
94.98093	16.2
95.73300	1.8
106.98094	2.2
122.97591	2.9
125.02469	4.0
134.97540	5.2
137.41666	1.8
148.99142	4.3
152.98630	6.6
154.18579	1.7
155.52266	1.7
164.98621	12.6
203.48755	1.7
206.99651	3.1
225.00739	17.0
229.28789	1.9
255.23286	1.9
279.23273	1.9
326.25592	1.8
353.17337	2.1
355.77951	1.8
453.14624	2.2
456.81775	2.1
525.63177	2.3
709.38330	100.0
710.38794	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	709.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
59.01378	5.6
61.98827	3.7
69.03470	0.9
69.67400	4.0
71.01396	3.2
73.02963	0.8
77.91182	0.6
78.95906	6.6
83.01365	1.0
83.05047	1.7
85.02960	1.6
87.00878	2.0
89.02444	2.2
92.96710	0.7
95.01392	1.0
95.05014	1.9
97.06582	5.6
98.20661	0.9
101.02413	3.7
109.58749	0.8
113.02436	1.7
119.03517	1.1
119.04377	0.8
125.02390	1.1
125.49104	0.6
127.11263	0.9
145.05112	0.9
151.11273	16.4
152.99576	8.5
161.04494	1.4
169.12337	48.1
170.12643	2.3
171.00577	1.1
195.10199	4.5
201.11328	9.8
209.11830	7.8
210.12202	0.8
213.11299	6.6
227.03171	0.7
227.12901	0.9
235.08257	1.7
243.21591	0.7
253.09183	4.6
253.21672	2.0
260.25452	0.7
277.21704	53.6
278.22012	4.9
279.23300	2.1
280.89227	0.8
431.19186	2.6
449.20065	4.1
455.16916	2.1
466.56982	0.7
473.17816	9.6
490.39893	0.8
691.37756	1.0
709.41455	100.0
710.41791	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15008	0.9
57.03440	4.4
59.01381	6.9
68.99821	2.8
69.03452	1.2
71.01379	5.1
71.53773	1.7
72.99299	1.5
73.02935	3.0
73.07861	0.9
75.00873	1.9
81.03450	1.2
83.01377	1.7
85.02948	10.9
87.00877	3.5
87.04515	3.3
89.02432	1.8
94.02981	1.2
95.01392	2.1
96.95996	1.4
97.02896	1.3
99.00890	4.2
101.02489	1.7
104.27579	1.1
109.02978	1.5
111.00885	3.0
113.02459	7.7
113.99599	9.0
115.00385	4.6
123.00883	2.1
124.01685	1.9
125.02454	28.3
126.02795	1.3
127.00355	2.1
127.08705	1.0
129.01941	1.8
137.02428	1.7
137.09692	2.2
139.00334	1.2
139.04074	1.3
139.11273	1.7
152.01227	1.2
157.01402	1.7
157.12401	1.2
160.26979	1.0
161.02415	1.8
161.04601	1.0
167.03502	4.1
168.00647	1.6
169.01425	24.0
170.01735	2.0
175.02463	1.2
177.01979	7.8
179.40007	1.1
185.11803	5.6
188.07137	1.2
201.11353	3.8
208.94609	0.9
210.66632	1.1
211.02313	1.5
215.12872	5.4
219.33698	0.9
243.02818	1.7
243.15965	2.5
265.09549	1.3
267.07169	1.1
271.04605	1.1
277.05710	10.4
283.19263	1.3
301.20139	8.4
303.05051	1.4
308.11478	1.9
329.23294	3.6
332.89590	1.1
340.10760	2.0
341.23404	4.6
371.24307	3.0
389.25455	43.7
390.25775	4.3
430.17892	3.3
457.20956	1.3
474.16928	3.2
479.22900	2.1
506.19388	5.2
507.19250	1.1
519.20844	1.6
557.22327	3.0
709.24329	5.3
709.33026	100.0
710.33228	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
63.56850	0.4
66.17502	0.3
67.01851	0.4
69.64086	0.7
69.64497	1.8
71.01380	1.9
73.02936	0.7
79.01891	0.5
83.01381	0.8
85.02954	0.9
94.91498	0.4
95.01384	1.1
98.20550	0.6
99.00900	0.4
101.02443	0.9
107.01367	4.0
111.00881	1.7
113.02445	0.7
123.00887	11.6
124.01665	9.2
124.02372	0.2
125.02450	24.0
126.02758	1.1
127.00341	0.7
132.03069	0.5
136.98817	0.9
137.02417	0.4
138.03227	0.7
138.06894	0.8
139.00378	3.6
139.04016	4.6
140.01128	2.5
141.01970	0.8
151.00375	4.5
153.01877	0.4
153.09224	1.0
167.03444	1.6
168.00638	5.7
169.01422	34.1
170.01767	1.8
177.01857	0.7
181.05067	0.5
183.02948	1.7
211.02432	0.9
211.13425	0.6
225.04094	0.5
241.03656	0.7
243.02844	0.5
255.12437	0.7
297.06076	1.8
313.05673	9.3
314.06149	0.7
327.07187	1.4
345.17639	0.4
446.04532	0.4
453.10361	100.0
454.10684	10.8
454.16049	0.3
551.38281	0.4
602.06146	0.4
644.03790	0.4
709.16028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09621	0.4
57.03444	0.9
59.01379	3.2
60.67755	0.4
62.68713	0.4
63.88092	0.3
65.00314	0.7
67.01879	0.5
69.03445	0.8
69.19193	2.0
69.19620	2.1
71.01385	2.6
72.99295	1.0
73.02925	0.8
75.00861	0.5
79.01885	0.7
81.03464	0.5
83.01391	0.9
85.02934	1.1
85.41462	0.4
87.00873	0.9
89.02415	0.9
90.42857	0.4
95.01372	1.8
96.96002	0.9
97.02950	0.8
101.02431	1.8
107.01392	10.4
111.00874	2.9
113.02431	1.4
119.04998	0.5
121.02896	0.5
123.00887	10.8
124.01672	3.4
125.02448	43.4
126.02775	1.7
127.00344	1.0
130.59381	0.4
135.04471	0.5
136.98763	1.6
137.02466	0.6
139.00357	4.7
139.03908	0.5
140.01172	3.4
141.01950	0.8
151.00377	6.0
151.04037	0.6
153.01952	0.6
154.67896	0.4
154.99870	0.5
161.02515	0.6
163.04088	0.5
166.99933	0.5
167.03496	1.6
168.00630	6.8
169.01427	50.8
170.01767	2.0
170.70656	0.4
177.01869	1.4
179.03540	0.6
181.01358	0.5
181.05049	0.8
193.01369	0.8
193.05154	0.5
196.74327	0.4
211.02486	6.0
212.02855	0.6
237.04207	0.7
241.03400	0.5
253.03462	0.7
271.04572	4.1
305.06741	0.6
313.05469	2.2
479.22678	0.4
539.21411	1.0
557.22357	20.6
558.22742	3.2
709.23444	100.0
710.23767	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	709.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00291	0.5
57.03438	1.0
59.01378	3.8
67.01888	1.0
69.03449	1.4
69.32500	4.2
71.01373	2.5
72.99310	0.8
73.02928	1.0
79.01879	0.7
81.03448	1.0
83.01380	1.1
85.02936	2.0
87.00864	1.2
89.02451	0.8
95.01403	2.4
97.02968	1.3
99.00838	0.6
101.02415	1.7
107.00660	0.4
107.01382	10.4
109.02966	0.7
111.00890	2.7
113.02441	1.7
121.02946	0.6
123.00894	11.3
124.01716	2.4
125.02445	50.4
126.02766	2.1
127.00419	1.0
130.21523	0.5
136.98795	1.4
137.02431	1.3
139.00362	4.3
139.03998	0.9
140.01175	4.6
140.80173	0.5
141.01892	0.7
151.00362	6.5
151.03947	0.7
153.01942	0.8
163.04129	0.5
165.01791	0.7
167.03474	1.8
168.00639	6.5
169.01421	58.7
170.01813	2.7
177.01935	1.6
177.41988	0.6
177.43608	0.5
178.02107	0.5
181.01317	0.5
193.01408	0.7
211.02490	6.3
212.02747	0.5
232.10526	0.5
237.04016	0.5
241.03581	0.8
253.03563	0.6
271.04547	5.5
313.05655	2.4
328.05042	0.6
539.21600	1.3
557.14581	0.8
557.22302	20.4
558.22852	3.9
709.23444	100.0
710.23761	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	708.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82277	0.6
61.98829	100.0
71.01405	0.7
71.54409	0.8
72.72734	0.6
78.98606	0.8
79.95741	1.1
80.96516	4.2
82.67446	0.7
94.98090	1.4
108.11285	0.6
115.77118	0.6
137.77589	0.6
164.98729	0.8
175.75909	0.7
225.00960	0.9
277.21680	0.7
305.66904	0.6
306.97708	0.7
324.75885	0.6
454.86633	0.6
709.38470	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	708.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87387	0.2
53.14982	0.2
57.03443	1.1
58.02978	1.5
58.20264	0.2
62.17440	0.2
63.58851	0.3
69.03448	1.5
70.02968	0.9
70.71382	0.6
70.71712	0.3
72.00920	0.6
79.01874	0.4
80.25638	0.2
81.03445	0.7
83.01389	0.4
91.05537	0.8
97.02944	1.2
105.03397	0.4
107.01385	0.6
109.02964	0.6
114.43655	0.3
123.00872	0.9
124.01630	0.5
125.02445	53.5
126.02772	2.0
137.02411	1.5
139.03990	0.8
140.76440	0.3
147.04507	3.3
161.02440	3.7
162.02821	0.3
164.01147	0.4
164.07152	7.5
165.01947	0.7
167.03490	0.9
169.01419	100.0
170.01762	4.2
177.05641	0.3
179.03474	0.6
193.01389	1.6
205.01488	0.4
206.08205	9.2
207.08505	0.9
219.06665	0.5
221.04520	0.4
266.51303	0.3
269.04517	0.8
269.29932	0.2
287.05652	1.4
305.06662	3.7
306.06906	0.4
331.04501	1.3
457.07742	7.2
458.07901	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91039	0.6
59.01381	4.0
60.20502	0.7
61.98830	2.0
71.01386	3.2
75.67364	0.6
78.16499	0.6
78.95892	1.4
81.72538	0.8
85.02943	1.1
87.00887	1.0
89.02446	1.7
98.19818	1.2
101.02449	2.3
113.02438	1.3
118.49225	0.6
119.29258	0.6
140.01143	0.6
152.99562	0.7
153.77959	0.6
161.04503	1.3
183.13893	5.7
193.12347	1.9
211.13397	100.0
212.13730	6.6
235.08185	3.9
243.83205	0.7
253.09309	8.5
277.21722	99.9
278.22086	10.3
279.23328	3.1
364.53293	0.8
447.22339	3.7
663.16150	0.7
707.36713	1.3
730.26776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
57.03442	0.8
58.00593	2.3
59.01380	23.3
61.98823	6.1
63.43450	0.7
69.03445	1.4
71.01382	14.8
71.03880	0.6
71.04220	1.0
72.99290	0.8
73.02934	2.1
81.03472	0.9
83.01378	1.6
83.05021	1.0
85.02960	3.9
87.00871	3.9
89.02442	15.8
95.01387	1.1
97.02955	3.0
97.06573	0.7
99.00889	1.1
101.02448	11.7
111.08159	9.4
113.02457	5.7
115.11095	0.5
116.14976	0.5
119.03499	4.2
125.02434	4.2
127.07652	1.2
131.03482	1.1
143.03499	2.0
151.11240	0.7
153.12836	1.2
161.04486	2.7
165.12910	0.6
169.01427	1.2
169.12369	3.6
171.10265	0.7
179.05620	3.8
181.12326	2.3
183.13919	1.3
197.11823	46.4
198.12093	3.3
199.13368	2.7
209.11798	0.8
211.13371	6.4
227.12914	1.4
235.08231	3.8
247.20677	0.6
251.37749	0.7
253.09268	1.6
263.20270	3.1
265.18143	1.0
283.71246	0.6
287.07703	0.7
291.19653	16.7
292.20065	1.5
305.08835	0.8
309.20709	100.0
310.21057	10.2
323.09741	1.0
387.11383	0.6
397.13504	16.5
398.13843	2.0
415.14557	33.2
416.14929	2.8
644.34790	0.7
707.35693	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	707.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
58.00589	1.9
59.01378	21.5
61.98828	100.0
62.98513	1.3
63.99267	0.6
69.03466	1.8
70.52882	1.7
71.01380	19.0
72.99314	2.1
73.02950	3.5
75.00893	0.8
81.03457	1.3
83.00934	0.7
83.01411	1.9
83.05040	1.0
85.02955	4.5
87.00880	2.8
88.98854	0.6
89.02441	16.7
95.01392	1.4
96.96025	0.7
97.02943	3.7
97.27514	0.6
99.00874	1.3
99.04480	0.5
101.02440	12.0
107.01416	1.0
109.06571	0.7
111.08152	9.9
113.02446	7.8
117.21508	0.5
119.03484	4.7
123.00882	0.8
123.04499	0.6
125.02449	13.5
125.09692	0.6
127.07671	0.9
131.03528	1.3
131.98134	0.5
137.02422	1.1
139.03998	0.6
143.03490	2.5
149.04634	0.6
151.00414	1.1
153.12822	0.7
161.02443	1.0
161.04543	2.8
167.03438	1.1
168.99991	0.8
169.01424	11.9
169.12277	3.0
171.10252	2.8
177.01874	0.8
179.05606	4.6
179.10687	0.5
181.12317	1.2
183.13826	1.2
185.11777	1.3
195.13846	1.0
197.11826	38.7
198.12180	2.1
199.13399	2.6
201.11240	1.1
207.10245	0.7
209.11864	3.3
211.13379	6.3
221.06628	1.1
221.15462	1.4
227.12881	2.0
235.08192	3.3
253.09317	1.5
263.07489	0.6
263.20157	1.9
265.18073	1.4
267.07104	1.1
273.18591	1.3
285.04144	0.7
291.19650	13.9
292.20023	1.1
305.09036	0.8
309.20691	77.5
310.21027	7.9
321.02231	0.6
372.74680	0.6
397.13495	21.1
398.13773	1.5
415.14560	27.2
416.14746	2.4
483.87244	0.7
555.14655	0.8
675.32257	1.2
707.23138	1.0
707.35004	3.0
708.35699	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03582	2.8
59.01375	32.5
61.98830	46.1
67.46774	2.5
69.03445	2.8
71.01379	28.3
71.09370	6.5
72.99306	3.6
73.02956	3.4
78.95897	13.6
83.01379	3.2
85.02958	7.7
87.00859	4.5
89.02436	28.8
95.05029	2.6
97.02964	4.1
101.02449	21.2
104.60969	3.4
111.08163	8.4
111.18603	2.8
113.02441	10.5
115.26540	2.7
119.03481	5.8
125.02438	20.7
137.80353	3.0
143.03502	5.8
161.04526	4.5
167.03534	3.6
167.10677	2.8
169.01442	10.2
171.10237	3.2
177.01968	3.9
179.05647	4.8
183.42465	2.5
195.13831	5.3
221.06633	2.8
233.11693	2.6
235.08232	6.2
246.09906	3.6
247.20555	3.0
254.77716	2.5
291.19650	100.0
292.19968	9.3
397.13553	14.3
415.14731	19.0
626.12811	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	707.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39690	0.7
53.03344	0.7
55.01882	0.7
57.03444	2.0
58.00584	2.1
59.01381	30.3
61.98527	1.0
61.98835	11.9
69.03452	2.7
69.21658	2.2
69.22080	4.9
71.01000	1.3
71.01382	22.0
72.99306	1.5
73.02955	4.9
75.00863	1.0
83.01383	2.9
83.05035	1.1
85.02959	6.7
87.00881	3.9
87.52647	0.7
89.02445	22.9
91.04076	0.7
95.01392	2.2
97.02959	7.0
97.06571	0.9
99.00880	1.3
101.02443	17.0
109.06618	0.8
111.08144	6.4
113.02447	9.9
119.03506	6.0
124.01710	0.8
125.02462	10.5
125.09724	1.4
131.03462	0.9
141.05562	0.8
143.03462	2.2
149.04523	0.9
159.60027	0.7
161.04538	3.7
163.11324	1.1
165.12880	1.6
167.03593	1.3
169.01405	3.6
169.12361	2.9
171.10260	3.0
179.05595	5.3
181.12332	2.4
183.13869	1.8
193.12344	0.9
197.11832	29.7
198.12181	1.2
199.13440	1.1
209.11804	2.6
211.13385	4.7
217.06996	0.8
221.06671	2.1
223.13423	1.1
227.12895	2.5
235.08331	5.3
247.20593	2.3
253.09235	1.8
263.20123	1.5
268.81714	0.7
273.18658	1.7
291.19647	29.8
292.20001	2.5
305.08691	1.0
309.20709	100.0
310.21030	9.5
323.09735	1.4
323.15573	0.8
337.40952	0.7
376.82834	0.7
397.13504	30.7
398.13773	2.9
405.68329	0.8
415.14581	33.9
416.14780	2.5
654.55945	0.8
707.34729	8.8
708.35327	1.4
737.60272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13215	2.3
57.03448	3.6
58.00587	2.8
59.01376	38.6
61.98824	32.3
64.24286	2.1
66.67149	2.2
70.83865	4.6
70.84203	3.2
71.01385	31.7
72.99322	2.4
73.02924	5.1
78.95892	3.2
83.01382	3.9
85.02946	7.4
87.00873	4.0
88.98803	2.9
89.02449	32.1
90.84121	2.1
96.96044	2.5
97.02939	4.8
99.00880	2.5
101.02441	25.1
105.63137	2.2
107.15517	2.3
111.08154	12.0
113.02434	14.7
119.03506	10.5
119.04221	2.2
125.02455	19.1
127.03995	2.6
133.05042	2.3
143.03429	3.9
146.04433	2.4
161.04576	6.4
169.01375	9.3
177.12761	2.4
179.05600	7.4
195.13847	7.0
235.08101	6.8
253.09323	2.7
289.82816	2.1
291.19662	100.0
292.19992	7.2
309.20511	4.6
397.13531	20.7
415.14673	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
62.51951	1.9
71.54039	2.2
76.12191	1.7
85.02932	3.0
87.00874	18.4
95.54595	1.8
96.96008	61.6
101.02420	2.2
116.96416	2.1
123.00913	2.9
125.02460	13.9
127.96886	2.0
137.02434	7.5
139.03961	2.7
149.02475	2.9
161.02473	3.3
163.03935	4.6
164.04776	3.7
165.01869	2.3
167.03513	1.9
169.01418	2.7
176.04756	4.3
177.01910	7.1
178.06352	7.6
179.03542	4.5
179.07094	10.6
181.05037	3.2
188.80818	1.9
191.03514	6.4
191.07066	3.2
193.04979	3.7
194.05791	3.9
206.05669	3.2
206.33820	1.9
209.08148	2.3
221.04573	3.8
221.08134	3.2
238.78102	1.9
247.02481	2.4
247.06076	2.5
249.07672	2.7
255.03247	2.5
262.04614	3.6
265.07184	23.0
266.07446	2.5
277.07169	15.4
295.08325	13.9
305.06680	8.5
355.10312	7.1
383.09921	2.6
401.10828	100.0
402.11264	10.0
423.07257	5.5
441.08051	5.3
449.13226	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	706.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.3
61.98830	100.0
70.38438	0.7
78.95934	0.2
96.70142	0.2
99.65973	0.3
129.35968	0.2
277.21872	0.5
406.13351	0.3
473.67291	0.2
668.39954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82389	0.3
57.03433	1.4
60.79037	0.3
71.54160	0.5
79.95732	3.8
83.01392	0.6
91.29678	0.3
93.03487	0.5
93.37980	0.3
96.96007	100.0
97.95935	0.6
98.88476	0.3
109.02948	1.5
111.04511	0.8
121.02955	1.2
125.02439	12.3
132.27394	0.4
133.02922	0.3
137.02423	2.9
139.04031	1.8
149.02434	1.0
151.04030	0.7
164.01187	0.5
165.01875	1.9
165.04118	0.4
167.03491	1.3
175.03998	0.9
177.01923	8.5
177.05527	0.6
178.02464	0.5
179.03511	1.2
179.07358	0.4
219.06607	0.8
221.04536	0.7
223.85971	0.4
229.05052	0.3
243.02908	1.2
255.02953	3.1
256.03754	0.5
269.04617	0.5
273.03928	0.5
283.02524	2.1
285.03827	0.4
288.03040	0.4
297.04016	0.8
303.05142	1.1
305.06662	6.0
377.67514	0.3
401.10852	0.7
423.07205	11.8
424.07559	1.3
441.08224	8.9
442.08673	1.1
479.02664	0.4
483.09393	1.6
605.38226	0.3
609.12299	3.8
610.13177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01614	0.8
58.60684	0.7
61.98828	4.9
70.25175	2.0
70.25567	1.5
78.95912	11.4
88.58952	1.0
110.98522	6.7
112.76345	0.8
152.99516	1.5
167.01132	2.2
220.45032	0.8
255.23308	1.0
277.21707	100.0
278.22043	9.1
336.81552	0.8
427.22571	1.5
445.23676	4.8
446.23975	0.9
583.01270	0.9
608.26776	0.9
705.45398	5.3
706.45020	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	706.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28933	0.2
57.03444	0.4
59.01381	3.0
61.17716	0.2
61.98832	100.0
68.99826	0.2
69.03452	0.3
71.01383	2.6
71.54780	0.2
72.99323	0.3
73.02960	0.7
75.00891	0.3
80.09176	0.2
81.03455	0.2
83.01389	0.3
85.02975	0.8
87.00885	0.6
88.98836	0.2
89.02449	1.8
95.01379	0.3
96.96042	0.4
97.02968	0.7
99.00893	0.3
101.02444	1.8
107.01385	0.4
107.43279	0.2
111.00893	0.2
111.08176	1.1
113.02421	1.1
119.03529	0.5
119.05085	0.2
123.00890	0.3
125.02451	3.5
135.41158	0.2
137.02481	0.4
143.03471	0.2
151.00352	0.4
161.02457	0.3
167.03540	0.4
169.01430	3.3
169.12357	0.4
170.01837	0.3
171.10344	0.7
177.02039	0.2
179.05623	0.4
185.69066	0.2
197.11819	4.7
199.13455	0.2
207.10336	0.2
209.11887	0.6
211.13458	0.8
218.68440	0.2
219.06503	0.2
227.12848	0.2
235.08264	0.7
253.09328	0.3
291.19586	1.5
309.20709	9.5
317.03156	0.3
361.25394	0.2
397.13467	2.6
415.14615	3.5
415.19824	0.3
428.14462	0.2
522.33783	0.2
537.19226	0.2
550.74396	0.2
675.32593	0.3
707.33508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90477	1.2
57.03442	1.8
59.01380	11.8
61.98832	100.0
71.01384	10.6
71.54807	1.7
73.02950	3.8
80.02670	1.4
81.03472	1.8
83.01373	2.7
83.05022	7.3
84.02177	2.0
85.02970	2.4
87.00916	3.0
89.02464	8.8
95.01328	1.2
95.05036	1.8
96.96015	1.5
97.06583	2.1
99.00874	2.4
99.04533	1.3
101.01878	1.3
101.02442	8.5
111.08178	1.6
113.02441	4.4
119.03510	3.1
125.02439	11.5
161.04584	4.6
163.11282	4.8
165.12865	12.1
169.01372	6.8
169.12161	1.4
181.12268	2.3
183.13902	81.6
184.14236	4.6
207.10310	1.7
209.11823	79.6
210.12195	6.1
211.13351	3.0
227.12885	16.3
235.08249	2.7
245.19141	1.3
253.09328	5.9
263.19836	2.1
289.18167	2.4
307.19135	7.9
312.81476	1.4
397.13574	4.1
415.14429	2.5
445.20978	2.6
463.21683	5.2
499.29651	1.6
607.25739	2.2
655.32721	1.7
673.34326	82.9
674.34961	18.2
705.26611	2.4
705.36646	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	705.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40622	0.9
55.01867	1.5
57.03443	1.1
57.85750	1.0
59.01103	1.6
59.01378	24.2
61.98829	100.0
69.03450	5.6
71.01382	16.1
71.05004	2.0
71.52187	1.4
72.99294	2.5
73.02924	2.8
75.00862	1.8
80.02674	1.3
81.03440	1.4
83.01402	2.2
83.05015	1.6
85.02950	3.7
87.00869	3.7
89.02448	18.5
95.01384	2.5
95.05034	2.2
96.96003	3.4
97.02943	3.0
99.00877	2.6
101.02451	14.3
107.01391	3.1
109.02946	1.1
109.06581	7.7
111.04504	3.5
113.02457	8.4
119.03483	4.4
123.00887	5.2
123.08102	1.2
125.02447	25.2
126.02785	1.7
127.07632	2.0
137.02469	2.3
139.00385	2.4
141.01868	1.1
143.03476	1.7
145.06520	2.0
149.06099	1.2
149.09714	1.2
151.00414	5.1
151.03922	1.2
161.02438	1.6
161.04558	2.9
166.99756	1.3
167.03462	1.8
167.10764	1.7
168.00575	1.6
169.01411	21.7
179.05551	4.2
179.10760	1.7
185.00887	1.8
195.13882	2.0
207.10324	1.0
209.11847	1.4
235.08142	5.4
245.19006	4.6
271.17111	1.3
287.16467	2.7
289.18082	91.4
290.18436	8.4
307.19101	6.9
317.03104	1.7
397.13495	29.9
398.13599	1.7
415.14548	20.7
416.14853	1.2
505.18201	1.4
519.31470	2.7
535.14771	1.4
542.37543	1.0
553.15167	2.8
637.60187	1.0
638.73663	1.0
687.31909	1.4
689.60858	1.1
705.17139	4.5
705.23102	3.0
705.33789	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	705.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54299	0.9
57.03452	3.8
58.00601	2.2
59.01378	48.7
59.01684	2.3
61.98829	85.0
63.27521	1.2
66.25056	1.1
67.01907	1.2
69.03448	4.0
71.01380	43.3
71.52242	1.6
71.56819	1.1
72.99308	3.8
73.02942	7.0
78.95911	1.6
81.03458	3.7
83.01395	6.3
83.05022	3.8
85.02953	9.8
87.00871	9.6
88.98796	2.6
89.02443	42.4
95.01384	5.3
95.05029	3.1
97.02943	8.2
97.06592	7.8
99.00861	3.3
101.02438	33.5
109.06584	1.8
111.04544	2.2
113.02451	14.6
115.07706	1.1
119.03502	12.9
121.06593	2.3
123.04530	4.3
123.08147	2.5
124.01677	1.4
125.02448	19.6
125.09702	7.4
131.03503	1.5
135.08139	1.3
137.02432	1.9
137.09714	4.6
143.03482	5.4
149.02380	1.4
149.04654	1.3
149.06020	1.2
149.09702	1.3
151.11290	1.6
161.02397	2.4
161.04530	6.4
161.09761	1.4
163.11284	7.8
165.12822	6.1
169.01399	7.5
171.10258	2.2
177.01897	1.4
179.05617	8.9
179.10793	1.6
181.12349	4.2
183.13919	19.4
185.11827	7.6
191.10823	2.2
191.14410	7.2
207.10225	6.3
209.11815	52.1
210.12105	3.3
211.13417	6.6
221.06599	2.2
225.11269	5.2
227.12907	7.0
235.08224	10.2
237.11295	7.8
245.19078	18.5
253.09277	4.8
263.07739	1.6
263.20074	5.1
271.17014	2.4
281.21219	2.1
287.07755	2.5
289.18085	74.3
290.18518	5.9
307.19128	100.0
308.19489	8.5
323.09781	2.1
325.20151	1.5
373.23987	1.1
397.08243	2.3
397.13474	44.6
398.13809	3.6
415.14554	41.2
416.14832	2.9
464.85306	1.3
553.26294	2.0
607.25848	4.2
608.26123	1.3
622.24768	1.5
642.33679	1.3
673.34369	22.6
674.34509	4.9
705.34717	11.2
706.31934	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	705.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.1
58.00576	1.8
59.01379	50.8
61.98830	87.6
67.01870	1.3
69.03444	3.1
70.25009	1.1
71.01001	2.3
71.01384	39.8
71.53614	1.9
72.99298	3.8
73.02948	6.2
80.02686	2.1
80.96543	1.3
81.03450	3.6
83.01382	6.6
83.05012	3.5
85.02935	8.6
86.00143	1.4
87.00874	9.6
88.98803	3.1
89.02445	43.4
93.03458	1.6
95.01393	3.8
95.04993	2.7
97.02969	8.8
97.06569	5.1
99.00887	3.0
101.02446	31.0
109.02963	1.6
109.06579	2.4
111.00877	1.8
111.08089	1.4
113.02442	18.6
119.03514	12.9
119.08654	1.3
121.02948	2.2
123.00837	1.5
123.04516	4.6
123.08140	2.6
125.02445	22.3
125.09736	8.0
131.03453	2.3
135.08025	1.4
137.09726	3.7
139.00366	1.2
139.04019	1.6
141.01971	1.6
141.12741	1.7
141.42554	1.3
143.03525	6.2
149.04575	2.0
149.05940	1.7
149.09700	1.6
151.57677	1.2
161.02464	2.5
161.04523	5.9
163.11290	11.2
165.09085	1.8
165.12914	2.6
167.03467	3.3
168.35384	1.4
169.01445	6.5
171.10269	2.4
177.12733	1.7
179.05656	9.4
179.10986	1.5
181.12325	2.4
183.13907	12.4
185.11850	7.6
191.10741	1.5
191.14412	8.8
207.10262	6.0
209.11815	46.1
210.12065	2.9
211.13354	4.7
217.07016	1.2
217.15971	2.2
221.06502	1.8
225.11319	7.9
227.12845	5.4
235.08229	10.8
237.11378	7.2
245.19078	19.0
246.19530	1.7
253.09282	5.0
263.07697	3.4
263.20123	3.9
271.17044	2.6
281.21198	2.5
289.18094	84.1
290.18399	6.2
307.19144	100.0
308.19489	8.7
309.44467	1.3
325.20166	2.9
397.13489	45.3
398.13788	4.0
415.14566	41.7
416.14828	3.9
429.48264	1.4
472.11249	1.3
607.25800	2.3
673.34283	20.3
674.34149	2.9
705.35693	7.8
706.33679	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	705.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.8
57.03435	1.1
59.01380	8.6
61.98830	37.0
67.01874	2.9
68.99829	0.8
69.03439	3.4
71.01391	5.9
72.99290	1.6
73.02919	1.6
75.00847	0.8
79.01877	2.0
81.03444	1.3
83.01361	1.4
85.02968	4.4
87.00860	2.1
88.98785	1.0
89.02406	2.1
93.03445	2.1
95.01385	6.1
96.96028	3.6
97.02914	3.0
98.19855	1.5
99.00861	2.1
99.04509	0.8
101.02403	2.8
105.40328	0.6
105.44935	0.7
107.01395	11.8
109.02911	1.2
111.00884	5.7
111.04457	1.0
112.98542	0.9
113.02437	3.4
116.92841	1.9
119.03463	0.7
119.04989	1.4
120.01185	1.1
121.02938	1.1
123.00891	17.7
124.01714	4.0
125.02450	76.2
125.09636	0.9
126.02791	3.4
127.00330	1.2
128.03568	4.1
133.02919	0.9
135.04500	0.7
136.01686	0.9
136.98773	2.1
137.02380	2.4
138.03131	1.0
138.99478	0.8
139.00372	8.5
140.01170	7.5
141.01834	2.3
147.04457	0.8
149.02386	1.8
150.03242	4.0
150.99333	0.7
151.00368	9.0
151.04015	0.9
152.01210	0.6
153.01949	1.5
161.02477	0.9
163.03947	1.2
165.01941	1.2
165.05606	4.1
166.99811	2.8
167.03506	1.5
168.00635	11.2
169.01424	88.4
170.01784	4.2
171.10210	1.2
175.03979	1.0
177.01828	1.9
179.03432	0.9
179.82951	0.6
181.01340	0.7
191.03433	0.9
193.01407	1.0
195.06648	1.4
197.11867	3.5
201.11324	0.9
207.02872	0.7
209.11726	2.3
211.02402	2.2
225.11272	1.2
237.04103	0.8
243.02953	0.7
249.05646	0.8
250.05925	0.7
251.05168	0.9
267.07135	1.1
271.04562	0.7
297.06030	1.0
308.95456	0.7
313.05490	2.6
316.63358	0.7
383.13486	5.1
401.14520	14.1
402.14954	1.6
519.31079	0.8
535.14288	0.7
553.15424	11.9
554.15332	2.2
661.29456	0.9
687.31598	2.3
705.16431	100.0
706.16925	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.2
59.01377	0.8
61.98830	100.0
62.98529	0.2
62.99253	0.1
71.01390	0.4
73.02964	0.1
83.01411	0.1
85.02940	0.2
87.00894	0.1
89.02457	0.1
95.01418	0.1
96.96032	0.3
97.02947	0.1
99.00905	0.1
101.02441	0.2
101.17077	0.1
109.02982	0.1
113.02478	0.2
116.92875	0.1
123.00845	0.1
125.02441	1.5
137.02470	0.3
139.00401	0.2
157.44975	0.1
161.02394	0.2
167.03447	0.2
169.01422	1.2
171.10248	0.1
177.01964	0.2
180.53575	0.1
209.11900	0.3
225.11362	0.1
273.07635	0.1
287.05786	0.2
315.25562	0.3
641.31616	0.5
642.32782	0.2
645.34424	0.1
705.32513	0.3
725.37854	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
59.01381	2.5
61.98830	100.0
62.98539	0.2
63.99274	0.3
67.01911	0.2
69.19403	1.3
69.19828	0.9
71.01376	1.7
72.99306	0.4
73.02966	0.2
75.00903	0.3
81.03490	0.2
83.01398	0.3
83.05041	0.4
85.02963	0.8
87.00899	0.6
88.98789	0.2
89.02451	1.3
93.03511	0.2
96.96012	0.3
97.02995	0.3
98.19864	0.5
99.00890	0.3
100.30737	0.2
101.02444	1.3
107.01433	0.5
111.86040	0.2
113.02464	1.0
113.52930	0.2
117.03465	0.3
119.03490	0.3
123.00933	0.4
123.04542	0.3
125.02448	3.8
125.03307	0.3
125.09719	0.2
126.83446	0.2
127.04055	0.2
137.02437	0.5
139.00464	0.3
140.01242	0.3
151.00438	0.2
163.04042	0.3
163.11319	0.4
167.03490	0.2
168.00636	0.4
169.01416	2.9
170.01788	0.3
171.10260	0.3
177.01936	0.3
204.33821	0.2
209.11830	3.4
211.13382	0.2
225.11345	0.4
227.13019	0.5
235.08235	0.3
237.11342	0.3
245.19176	0.4
253.09401	0.3
287.16751	0.3
288.16843	0.2
289.18146	1.8
305.17764	0.4
306.17978	0.5
307.19211	3.0
313.05661	0.3
353.98929	0.2
365.89932	0.2
397.13425	1.5
415.14722	1.1
416.14648	0.2
475.86230	0.2
509.20596	0.6
552.25696	0.3
641.28510	0.3
704.26904	1.0
705.21478	0.7
705.34216	1.1
714.92841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33003	0.3
58.35311	0.3
59.01368	0.5
61.98829	100.0
68.50761	0.3
78.95919	0.9
102.41539	0.3
125.02460	0.9
131.43124	0.3
148.07632	0.3
152.99606	0.5
169.01469	0.8
209.11937	0.4
278.39996	0.3
403.55457	0.3
471.49258	0.3
503.18790	0.3
709.36090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43599	39.3
61.98816	100.0
70.53020	44.5
70.53352	86.2
72.48126	46.7
78.95885	44.4
83.25616	42.4
98.20596	42.3
99.77852	46.0
129.18297	46.9
147.33842	43.9
152.99600	55.2
168.45998	46.2
169.01437	46.5
171.10289	47.5
239.29936	46.3
255.23354	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24628	0.1
59.01377	1.8
61.98829	100.0
65.81277	0.2
70.97442	0.2
70.97781	0.3
95.06685	0.1
104.02081	0.1
166.79797	0.1
169.10597	0.2
203.95557	0.2
306.45038	0.2
474.19357	0.2
484.15567	0.4
497.16388	0.2
501.44894	0.2
557.18988	0.4
558.18927	0.8
644.23035	0.4
704.22986	1.9
705.22650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45505	0.2
55.26209	0.2
59.01376	1.4
61.98828	100.0
62.98537	0.3
66.66460	0.2
68.22522	0.2
71.53780	0.2
78.95921	0.5
87.10787	0.2
88.87288	0.2
124.01653	0.2
124.43737	0.2
125.02438	0.6
167.00018	0.2
169.01433	0.4
169.90297	0.2
209.11821	1.8
238.58595	0.3
277.21683	1.5
483.15259	0.3
484.15155	0.3
557.18829	0.2
558.18793	1.0
644.23267	0.3
704.23438	1.3
705.22375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43599	39.3
61.98816	100.0
70.53020	44.5
70.53352	86.2
72.48126	46.7
78.95885	44.4
83.25616	42.4
98.20596	42.3
99.77852	46.0
129.18297	46.9
147.33842	43.9
152.99600	55.2
168.45998	46.2
169.01437	46.5
171.10289	47.5
239.29936	46.3
255.23354	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2607
Annotation	Fischeroside B
Peak:m/z	Relative Intensity
50.41162	0.8
57.33599	0.8
58.76403	0.8
58.92995	0.8
59.01379	7.6
61.98829	48.8
65.00304	1.4
69.03446	1.9
69.51482	5.3
71.01387	5.8
72.99303	1.1
73.02957	1.1
75.00854	1.8
78.92253	0.8
78.95889	1.1
79.01875	1.4
79.95689	1.7
80.96515	8.1
81.03422	1.2
83.04990	1.2
83.70042	0.8
83.79877	0.8
83.90199	0.8
84.19176	0.7
85.02934	2.7
87.00863	2.4
89.02402	2.0
93.42871	0.7
94.98040	1.2
95.01379	3.2
96.96017	1.4
97.02938	1.9
98.19846	1.1
99.00903	0.8
101.02432	2.7
107.01392	12.5
107.61530	0.9
108.38245	0.8
109.02943	1.1
111.00884	3.9
113.02430	2.3
122.97535	0.9
123.00872	13.7
124.01627	3.0
125.02446	53.8
126.02778	1.0
127.00321	2.0
136.98782	3.7
137.02399	1.8
139.00386	8.3
139.03990	1.1
140.01129	8.0
141.01910	1.8
151.00381	8.9
151.03926	1.1
152.00706	0.9
153.01947	1.3
161.02397	1.0
161.04552	0.9
164.98604	1.6
165.01837	1.2
167.03473	1.7
168.00636	10.3
169.01424	57.2
170.01721	3.5
175.03944	1.8
177.01912	2.4
177.04074	1.7
179.03394	1.1
181.01370	1.3
207.10318	1.3
209.11884	5.4
211.02426	1.5
225.00752	1.5
225.11279	3.3
285.03973	0.8
313.05536	1.6
372.00400	1.0
394.02899	0.9
461.20831	0.9
551.16602	1.5
551.24915	22.3
552.25104	3.2
702.44586	1.0
703.25970	100.0
704.26294	20.6
707.06146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
57.03428	0.7
58.52176	0.5
59.01376	4.0
61.98816	1.6
67.01877	1.7
69.03454	1.9
69.16989	5.9
70.34206	0.5
71.01391	4.1
72.99302	1.6
73.02927	1.0
75.00875	0.7
79.01896	2.5
81.03432	1.3
83.01387	1.8
85.02944	1.9
87.00845	1.1
90.10963	0.5
93.03479	0.6
95.01399	4.3
96.96015	3.8
97.02932	2.3
98.20681	1.0
98.86600	0.6
99.00915	0.9
99.92567	0.7
101.02437	1.4
106.06594	0.8
107.01390	11.4
109.02979	0.8
110.00101	0.6
111.00896	4.9
113.02438	1.8
116.92873	5.0
117.92850	0.9
119.04961	0.7
121.02905	0.7
123.00886	16.7
123.04472	0.7
124.01691	5.1
125.02451	60.4
126.02773	2.3
127.00365	1.8
129.71980	0.6
130.28729	0.5
135.00945	0.6
135.04440	0.8
136.98817	2.6
137.02368	1.2
138.03221	0.8
138.71204	0.5
139.00380	8.1
139.03961	0.6
140.01152	6.1
141.01907	1.4
145.02899	0.8
149.02454	1.4
150.05576	1.7
151.00371	7.7
151.03973	1.0
152.27702	0.5
153.01886	1.0
154.99812	0.5
161.02388	1.3
163.04028	0.6
165.01878	0.7
166.99799	2.9
167.03476	0.7
168.00648	12.1
169.01428	66.1
170.01709	2.1
177.01877	0.9
179.03404	0.8
181.01401	0.6
181.05019	0.9
193.01443	1.0
201.10889	0.5
207.02899	0.5
209.04625	0.5
211.02490	3.4
225.10229	1.2
236.22600	0.5
237.04039	0.6
249.04073	0.5
251.08151	1.0
265.09763	1.0
267.11279	1.8
271.04645	0.7
271.10886	1.4
293.09576	1.1
297.06097	0.9
298.31735	0.7
311.10342	1.3
313.05682	2.6
317.02863	0.7
362.77151	0.6
363.10660	0.8
381.11969	4.5
399.07870	0.9
399.12949	14.8
400.13049	1.6
465.06403	0.9
468.17731	1.6
533.13080	2.4
551.13983	12.9
552.14331	1.8
583.21869	1.0
609.19983	0.6
627.21094	2.8
659.23334	1.2
671.19873	2.1
672.18756	0.6
703.14996	100.0
704.03717	1.0
704.15430	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41431	0.9
51.59879	0.9
53.16121	0.9
57.03438	1.0
59.01381	8.3
61.98830	7.9
67.01881	1.6
68.56491	1.1
69.03460	2.2
71.01363	6.0
71.24082	2.0
72.99311	1.5
73.02932	1.3
75.00898	1.5
81.03468	2.2
83.01376	3.3
85.02934	3.8
87.00854	1.8
88.98799	1.0
89.02453	2.3
95.01372	4.9
96.96000	9.1
97.02948	2.0
99.00882	1.8
101.02445	2.2
107.01388	9.8
109.02943	1.4
111.00853	4.6
113.02438	2.8
116.92838	2.0
123.00880	14.3
123.04528	9.2
123.20341	1.3
124.01687	4.8
125.02451	58.2
126.02762	2.3
135.04524	1.1
136.05264	4.2
136.98775	2.3
137.02426	2.4
138.03235	1.2
139.00371	7.5
140.01138	6.0
141.01921	2.1
143.46581	1.1
149.02388	1.7
151.00371	5.8
153.01915	1.0
163.03998	1.3
165.01811	2.0
165.08994	1.2
166.99869	1.9
167.03502	30.7
168.00621	11.2
169.01433	56.4
170.01660	1.5
175.02365	1.1
175.03937	1.3
177.01901	4.0
191.03502	3.9
195.02867	1.2
211.02481	3.8
237.03967	1.1
253.03377	1.2
275.69861	1.1
313.05524	3.1
315.04773	1.1
349.04370	1.2
356.27573	1.4
359.27957	2.7
381.11890	2.8
399.12863	15.2
475.06604	1.1
481.35229	12.0
533.12695	1.3
551.14069	12.4
668.95581	1.2
671.21210	1.2
691.51984	1.1
703.15021	100.0
703.31842	5.1
704.15326	19.1
704.28223	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	702.334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72124	0.1
59.01376	0.3
61.98829	100.0
71.01391	0.1
76.11611	0.2
95.01390	0.2
107.01390	0.2
108.68171	0.2
110.80620	0.1
123.00896	0.2
125.02438	1.0
140.85341	0.2
169.01456	0.7
177.60001	0.1
303.58694	0.2
339.92703	0.1
480.37888	0.2
564.67340	0.1
630.18597	0.2
702.24304	0.4
703.25433	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4476
Annotation	Kulomo'opunalide-2
Peak:m/z	Relative Intensity
60.92228	2.3
61.98824	9.9
70.18930	9.5
70.19270	2.3
73.45444	2.1
78.73914	2.9
78.95883	3.5
98.20364	6.3
101.02434	4.5
110.98461	2.7
117.20189	2.3
165.12807	5.0
183.13907	42.1
253.09259	3.5
255.23276	100.0
256.23508	7.5
295.22742	13.1
344.06342	2.9
701.44843	61.6
702.45245	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	701.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
59.01358	1.3
61.98819	0.8
62.55000	0.6
67.01897	1.0
69.03449	1.8
69.20011	3.2
69.20444	2.9
71.01385	2.1
73.02943	1.7
81.03459	2.0
83.05001	2.9
85.02947	2.0
87.00876	2.0
90.21785	0.6
93.03458	15.9
95.01399	0.8
96.96014	6.3
97.02950	1.4
107.01390	9.1
107.15217	0.7
109.02969	1.2
111.00872	0.7
111.03807	1.0
111.04521	13.3
113.02467	0.9
123.00874	2.1
123.08134	1.1
124.01659	0.9
125.02448	76.4
126.02792	2.6
126.56559	0.6
127.03014	0.6
127.03998	1.1
132.26401	0.6
135.08203	0.5
137.02464	7.1
139.04002	0.7
139.11215	0.8
151.00380	0.7
155.03488	19.8
156.03865	0.8
157.12355	1.5
161.02472	1.4
168.00664	1.1
169.01424	99.2
169.12285	0.8
170.01759	4.4
171.01915	0.9
173.04550	22.5
175.04041	0.8
177.01933	1.1
185.11816	2.5
191.07228	0.7
193.01546	0.8
199.00221	0.5
201.05537	1.2
215.12848	1.1
217.01390	1.3
243.83597	0.5
245.04488	1.4
307.04480	1.2
325.05643	14.8
326.05862	0.8
329.23306	2.2
331.08307	0.9
356.47803	0.6
357.06015	0.8
357.26422	3.5
373.25949	2.1
375.27496	64.0
376.27783	6.6
511.12451	1.7
512.12445	0.6
528.73120	0.6
531.31769	13.5
532.32129	2.2
549.32684	5.0
621.31610	0.8
701.33923	100.0
702.34247	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	701.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60204	1.2
59.01379	100.0
59.18728	1.2
67.22408	1.3
69.39455	6.9
69.39884	3.6
70.85203	1.3
71.21977	1.3
72.82101	1.2
98.19825	2.4
108.76869	1.2
154.54189	1.3
438.13358	3.6
452.14999	2.9
481.15152	32.8
482.15567	9.2
495.16916	11.0
496.17010	3.2
496.54724	1.4
497.18356	8.9
514.15009	2.9
540.16418	10.7
554.18195	2.1
555.18848	65.1
556.19098	18.5
567.19214	1.8
572.15344	16.5
573.15686	4.7
577.16754	1.5
586.17535	7.3
609.20007	1.9
627.20911	2.7
641.12140	1.5
641.22565	32.9
642.22925	8.3
701.24713	69.3
702.24927	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.22728	2.2
61.98817	7.6
71.53262	3.8
72.20458	2.0
74.71474	2.0
77.68071	2.0
78.27901	2.0
78.95910	7.2
93.10835	2.1
101.79700	2.1
112.78459	2.1
125.02512	3.3
152.99614	3.2
169.01370	3.6
193.09053	2.3
202.08371	2.2
255.23224	11.8
295.22803	5.5
438.13327	6.2
481.15164	45.8
482.15536	9.0
495.16595	9.5
497.18600	3.8
539.15381	3.1
540.16486	9.8
554.18433	3.7
555.18890	79.9
556.19092	17.0
567.19312	4.1
572.15497	19.9
573.15540	5.6
586.17450	4.8
641.22595	35.9
642.22662	11.8
701.24695	56.8
701.44055	3.0
702.25006	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72786	2.8
61.98830	100.0
64.27206	2.4
78.95899	7.8
98.20659	5.9
152.99655	5.3
161.81996	2.5
255.23238	6.4
293.20953	3.6
294.21490	4.1
295.22772	7.8
453.77170	2.7
496.72174	2.8
515.35406	2.6
555.71136	2.6
637.78766	2.7
701.45764	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	699.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24277	0.6
57.03448	0.9
59.01373	5.4
60.76264	0.7
61.98822	3.5
67.01894	1.5
69.03465	2.8
69.20232	7.1
71.01385	4.9
72.99321	1.3
73.02937	1.9
75.00884	1.7
81.03458	1.2
81.54973	0.7
83.05019	3.3
85.02943	3.6
87.00877	2.2
89.02428	1.2
93.03460	12.7
95.01408	1.7
95.05044	1.0
96.96030	2.8
97.02967	1.6
97.06570	4.9
98.19829	1.5
99.00922	0.9
101.02461	1.5
104.64877	0.8
107.01402	9.8
108.02194	0.9
109.02981	1.7
111.00899	1.1
111.04519	11.9
112.04819	0.9
113.02458	2.5
116.92856	0.9
119.05022	0.9
123.00896	1.7
123.04507	0.8
124.01659	1.6
125.02448	78.3
126.02778	2.8
127.04026	1.6
137.02467	5.8
139.00386	1.1
139.11319	1.2
151.00394	2.2
152.01105	1.3
155.03505	13.4
161.02390	1.0
161.04527	0.9
161.95499	0.7
165.01939	0.9
165.05525	0.9
167.03442	2.4
168.00705	1.0
169.01422	100.0
170.01749	3.6
173.04546	16.5
173.06038	1.2
177.01979	1.9
183.32132	0.7
185.11800	2.9
191.05623	0.9
245.04517	1.2
257.17566	12.5
258.18069	1.4
267.07138	0.7
305.06616	1.0
307.04572	1.4
317.02921	2.2
325.05621	10.7
340.09415	0.9
341.10532	1.0
343.11597	0.9
343.24796	3.3
349.05594	1.1
355.24963	1.5
373.25931	29.9
374.26135	3.3
375.27271	4.0
417.77808	0.7
457.07669	1.3
493.09607	1.8
525.13898	14.7
526.14026	3.5
529.30255	10.8
530.30615	1.5
547.18115	1.5
547.31128	3.3
661.17719	2.5
699.20032	3.8
699.32251	72.6
700.20636	1.3
700.32611	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.6
59.01385	4.7
61.98822	3.6
67.01864	2.1
69.03448	2.9
71.01369	3.2
73.02946	1.8
75.00863	0.7
75.38403	0.7
81.03439	1.6
83.05013	3.7
85.02934	1.9
87.00871	3.2
87.04536	0.8
93.03459	14.8
94.03793	1.3
95.01415	1.4
96.96004	4.2
97.02930	2.4
97.06607	1.3
107.01386	10.0
109.02964	1.6
111.00848	0.9
111.03811	1.2
111.04526	15.2
113.02470	1.6
121.02962	0.8
121.25126	0.7
123.00851	2.7
123.08169	2.1
124.01685	1.2
125.02451	77.6
126.02842	4.0
127.02876	0.8
127.03974	1.2
127.58616	0.7
135.04539	1.0
136.05289	1.2
136.77698	0.7
137.02435	8.7
139.00383	1.3
140.01115	0.8
141.09119	1.2
149.02454	0.7
151.00421	2.2
155.03508	20.0
156.03854	2.0
161.02405	2.4
163.04041	0.8
165.05577	0.9
165.09050	1.0
167.03447	1.1
169.01427	93.4
170.01765	4.9
171.02092	0.9
173.04547	23.1
174.04817	1.6
177.01964	0.9
183.53726	0.8
185.11824	10.8
193.01372	0.9
201.05559	1.1
215.12685	0.9
217.05185	1.3
227.03384	1.6
245.04463	1.5
289.07129	1.1
301.03455	0.7
307.04706	1.5
317.03049	2.0
325.05627	16.3
326.06003	2.1
331.08279	1.1
355.24738	0.9
371.24478	2.4
372.24628	2.6
373.25919	60.6
374.26208	6.2
383.07880	0.8
454.93817	0.7
460.92511	0.7
493.11285	1.4
511.12247	1.6
525.27057	1.8
526.28406	0.8
529.30115	16.7
529.37341	0.8
530.30585	2.4
547.31140	5.7
548.31427	1.4
636.20264	1.5
699.32239	100.0
700.32642	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.6
59.01385	4.7
61.98822	3.6
67.01864	2.1
69.03448	2.9
71.01369	3.2
73.02946	1.8
75.00863	0.7
75.38403	0.7
81.03439	1.6
83.05013	3.7
85.02934	1.9
87.00871	3.2
87.04536	0.8
93.03459	14.8
94.03793	1.3
95.01415	1.4
96.96004	4.2
97.02930	2.4
97.06607	1.3
107.01386	10.0
109.02964	1.6
111.00848	0.9
111.03811	1.2
111.04526	15.2
113.02470	1.6
121.02962	0.8
121.25126	0.7
123.00851	2.7
123.08169	2.1
124.01685	1.2
125.02451	77.6
126.02842	4.0
127.02876	0.8
127.03974	1.2
127.58616	0.7
135.04539	1.0
136.05289	1.2
136.77698	0.7
137.02435	8.7
139.00383	1.3
140.01115	0.8
141.09119	1.2
149.02454	0.7
151.00421	2.2
155.03508	20.0
156.03854	2.0
161.02405	2.4
163.04041	0.8
165.05577	0.9
165.09050	1.0
167.03447	1.1
169.01427	93.4
170.01765	4.9
171.02092	0.9
173.04547	23.1
174.04817	1.6
177.01964	0.9
183.53726	0.8
185.11824	10.8
193.01372	0.9
201.05559	1.1
215.12685	0.9
217.05185	1.3
227.03384	1.6
245.04463	1.5
289.07129	1.1
301.03455	0.7
307.04706	1.5
317.03049	2.0
325.05627	16.3
326.06003	2.1
331.08279	1.1
355.24738	0.9
371.24478	2.4
372.24628	2.6
373.25919	60.6
374.26208	6.2
383.07880	0.8
454.93817	0.7
460.92511	0.7
493.11285	1.4
511.12247	1.6
525.27057	1.8
526.28406	0.8
529.30115	16.7
529.37341	0.8
530.30585	2.4
547.31140	5.7
548.31427	1.4
636.20264	1.5
699.32239	100.0
700.32642	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01382	2.2
60.99318	0.4
61.80464	0.3
61.98837	0.7
67.01899	0.5
69.03463	2.7
69.32344	3.3
71.01384	1.4
71.60621	0.4
72.99302	0.5
73.02962	0.4
75.00888	1.0
78.95888	0.4
81.03454	0.9
83.01385	0.7
83.05022	0.6
85.02950	1.3
87.00881	1.0
88.70197	0.4
88.98817	0.7
89.02461	0.5
93.03459	2.7
95.01369	1.1
95.04987	0.5
96.96015	3.0
97.02952	1.6
98.20655	0.7
98.95604	1.6
99.00854	0.5
101.02406	0.6
105.03456	1.6
107.01401	2.1
108.02234	0.6
109.02932	2.4
111.04551	2.3
113.02435	1.1
119.05017	0.7
121.02979	0.8
123.00883	2.1
124.01683	0.8
125.02449	53.2
126.02802	1.3
133.02966	0.5
137.02444	1.7
138.03267	0.8
139.00385	0.5
139.03993	1.8
140.01180	0.5
145.02885	0.4
149.02464	0.6
151.00349	0.9
151.04012	0.4
151.67770	0.4
152.01192	0.7
155.03500	3.2
158.56339	0.4
161.02446	9.6
162.02789	0.5
163.04016	0.6
165.01997	0.5
166.99821	0.7
167.03481	1.7
168.00597	0.5
169.01425	100.0
170.01775	3.9
173.04581	3.3
177.01936	6.0
185.11861	1.2
189.01950	3.2
190.02615	0.8
191.03532	0.8
193.01427	1.6
197.12050	0.4
215.12996	0.4
216.00526	0.9
217.01416	5.3
219.02924	0.4
229.04901	0.5
231.02930	0.9
249.06039	0.5
257.04385	0.4
269.04495	0.9
274.04834	0.6
287.05563	0.5
289.07114	2.0
301.03613	0.4
305.06537	0.5
307.04776	0.4
316.05862	0.4
317.03021	0.5
319.04535	0.9
321.04010	0.5
325.05719	3.1
331.08240	8.3
332.08722	0.8
339.05231	0.5
343.08218	0.9
343.24954	1.2
355.24951	0.4
357.06079	2.0
371.07693	3.7
373.25946	7.9
374.26181	0.6
385.09970	0.4
439.69244	0.5
449.27515	0.6
454.63492	0.4
493.11417	5.4
494.11533	0.7
511.12451	11.0
512.12860	1.7
520.73895	0.4
529.30151	2.0
537.10321	1.4
547.31091	0.9
548.91229	0.5
551.27277	0.5
636.20038	0.5
655.26636	0.4
663.01923	0.7
663.13495	2.1
698.36676	0.6
699.32489	17.8
700.33289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.7
61.81703	0.8
61.98829	100.0
88.09684	0.7
98.20677	1.6
198.82423	0.7
210.74489	0.7
221.15710	0.7
229.04759	0.9
244.86063	0.7
255.23459	2.2
259.96472	0.7
293.21182	1.7
379.64716	0.7
423.03339	0.8
425.38654	1.0
497.84589	0.8
539.69055	0.8
698.31665	1.2
699.45905	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.9
59.01377	16.4
61.98829	58.8
63.69120	1.7
67.01884	2.3
71.01368	7.7
72.05627	1.9
72.99312	2.6
73.02912	2.2
73.96510	2.1
81.03448	3.2
83.01383	2.6
85.02964	6.4
88.98807	2.4
89.02453	2.1
93.03448	2.1
94.19563	1.7
94.47803	1.9
95.01366	3.4
95.02640	1.9
96.96017	3.0
98.19836	3.9
101.02428	4.2
107.01384	11.3
109.02914	2.5
111.00850	5.0
113.02435	3.2
115.00372	2.6
117.03488	2.4
117.25745	2.0
123.00925	10.1
124.01692	2.2
125.02453	53.5
126.00681	2.1
126.02804	2.8
134.04353	2.2
137.02432	2.9
139.00380	4.2
140.01126	4.0
151.00346	6.0
160.70088	1.9
161.02388	7.4
163.04045	2.8
168.00610	5.5
168.02126	1.8
169.01422	45.6
173.04582	2.4
179.03510	3.4
237.75352	2.3
265.14294	2.4
373.25894	11.2
374.26224	5.0
483.18692	31.7
484.19128	4.2
493.31894	2.2
524.25568	3.0
635.19714	100.0
636.20215	13.9
698.28754	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	697.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26848	0.7
57.03440	1.8
59.01382	7.0
61.98818	2.9
67.01881	2.1
69.03452	3.1
71.01376	3.7
71.02980	1.5
72.99294	1.3
73.02928	2.4
75.00862	1.7
76.30137	0.9
79.68234	1.0
81.03444	2.1
83.01376	1.5
83.05017	4.6
85.02950	2.1
85.53656	0.8
87.00876	2.8
93.03456	20.1
94.03777	1.0
95.01373	1.6
96.95995	3.4
97.02948	1.6
97.06573	1.6
101.02460	1.4
104.36269	0.9
107.01389	12.8
108.02160	2.7
109.02924	2.3
111.00838	1.6
111.04519	18.7
113.02448	2.1
119.04957	1.3
123.00885	3.0
124.01681	1.4
125.02442	85.2
125.09672	1.3
126.02813	2.7
127.03995	2.7
137.02444	9.3
137.09619	1.0
139.11279	1.9
142.82910	0.8
151.00369	2.7
152.01122	4.1
155.03496	21.9
161.02443	1.7
163.04021	1.5
167.03574	1.2
168.00610	1.3
169.01421	100.0
170.01758	3.9
173.04538	35.8
173.06049	2.0
177.01917	1.3
178.99843	0.9
185.11816	10.5
213.11531	1.0
214.12041	2.1
215.12808	1.9
218.84903	0.9
228.72368	0.9
243.16020	2.6
245.04507	1.9
267.63226	1.1
276.91574	0.8
277.90182	1.1
285.03928	1.0
307.04532	1.0
325.05652	23.7
326.05746	1.0
339.68423	1.1
341.23380	6.5
353.23395	1.4
371.24356	60.2
372.24713	6.2
421.09998	1.0
466.58710	0.9
527.28558	21.7
528.28961	2.3
545.29663	12.3
546.29926	1.3
559.64362	1.1
697.30841	99.7
698.31189	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	697.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13999	0.4
55.42381	0.4
59.01377	100.0
60.01681	0.5
61.98829	0.7
63.06149	0.4
65.01826	0.4
69.22083	0.9
69.22498	3.7
97.40659	0.4
105.37650	0.4
121.02935	2.5
125.02440	1.1
160.16719	0.4
169.01385	0.8
171.10255	2.2
209.04582	1.5
253.09314	0.5
289.18161	0.9
353.50510	0.4
449.66623	0.4
593.13147	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01371	1.7
61.54829	0.6
61.98829	1.8
65.00334	0.7
66.14326	0.5
66.95315	0.6
67.86842	0.5
69.03448	1.8
69.31096	2.6
69.31526	2.4
71.01382	1.2
73.02940	0.6
79.95735	2.1
81.03448	0.9
81.35707	0.5
82.00539	0.5
83.01388	0.8
85.02957	1.0
87.00891	0.8
89.02453	0.8
95.01414	0.9
95.05035	1.5
96.96017	50.7
97.02967	1.7
105.03483	2.7
107.01413	0.5
108.02183	2.6
109.02966	3.3
111.04538	0.6
113.02431	1.4
119.05061	0.7
123.00886	2.4
123.04506	1.3
125.02454	57.9
126.02790	3.9
133.02942	2.0
137.02495	1.4
139.04027	1.9
151.00383	1.7
154.67381	0.6
161.01108	1.2
161.02457	23.6
162.02805	1.7
165.01981	0.8
165.09212	0.7
167.03499	1.4
169.01428	100.0
170.01784	6.1
171.01930	0.6
175.03935	1.2
177.01933	13.9
178.02225	0.9
178.99799	0.7
189.01981	6.5
191.03561	0.8
193.01434	2.1
196.95253	0.6
203.03571	0.8
216.00635	1.0
217.01445	10.8
218.01759	1.1
219.03003	0.6
231.03043	1.3
233.04422	1.0
243.03017	1.2
244.03836	1.1
257.04550	1.4
258.05347	2.1
259.06030	1.8
267.02969	0.6
284.03214	0.7
286.04803	1.0
291.05087	0.9
298.71826	0.8
299.05719	0.6
301.03583	3.9
301.07080	19.7
302.07529	1.5
305.06567	1.2
306.06857	0.6
309.70819	0.6
313.07321	1.0
321.04141	2.0
341.06671	7.0
355.08237	0.6
357.06073	3.2
358.06577	1.0
375.27496	0.8
390.39929	0.6
445.09070	1.5
463.10327	10.9
464.10950	1.6
481.11395	19.4
482.11838	2.2
497.34702	1.0
507.09393	3.3
538.46228	0.8
599.10577	1.5
633.12451	4.8
634.12787	1.1
695.34637	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
61.98832	5.8
69.03464	1.5
69.43935	2.2
71.01375	0.5
79.01885	0.4
81.03462	0.5
83.01411	0.3
84.04932	0.3
85.02932	0.5
93.03442	0.3
95.01382	0.5
95.05070	0.4
96.96014	0.4
97.02931	1.5
99.00916	0.3
105.03467	0.7
107.01415	0.6
108.02197	1.0
109.02952	1.9
111.04520	0.5
113.02449	0.3
121.03022	0.4
123.00890	1.2
123.04498	0.5
124.01672	0.8
125.02446	50.1
126.02789	1.6
131.01350	0.3
133.03026	0.7
136.22960	0.3
137.02423	0.9
139.04042	1.6
145.58630	0.3
149.02481	0.4
151.00421	0.3
155.09187	0.3
161.02432	7.5
165.01947	0.6
166.09604	0.4
166.99849	0.5
167.03490	2.4
169.01421	100.0
170.01759	3.7
171.85577	0.3
175.03984	0.4
177.01930	6.3
179.03426	0.4
189.01921	3.3
193.01419	2.7
203.03488	0.4
216.00594	0.6
217.01393	5.5
218.01961	0.4
219.02992	0.4
231.02919	0.7
235.00122	0.3
244.03722	0.4
257.04587	0.5
259.06088	2.8
269.04379	0.3
283.02570	0.4
284.03223	0.4
285.04086	0.7
287.05661	0.5
295.06180	0.4
297.04117	0.4
299.05688	0.4
301.07193	9.2
302.07510	0.9
305.06714	0.4
313.07059	0.7
319.04623	1.5
340.05859	0.3
341.06592	3.2
357.06079	2.8
357.09927	0.4
371.07642	0.4
375.27325	0.4
445.08969	0.5
463.10312	5.3
464.10587	0.8
481.11438	11.7
482.11661	1.5
507.09311	3.1
508.09747	0.3
562.04675	0.3
582.84528	0.4
633.12585	2.9
634.13080	0.4
695.34064	0.7
708.25104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95240	0.4
54.51244	0.4
56.31644	0.4
59.01387	2.7
61.98830	5.6
65.00339	0.3
67.01894	0.5
67.04366	0.4
67.27465	0.4
69.03456	1.5
69.40279	3.0
71.01374	1.7
75.00836	0.4
79.95730	0.5
80.02249	0.4
80.32316	0.5
81.03448	0.6
83.01417	0.6
85.02961	1.6
89.02477	0.6
92.29163	0.4
93.03464	0.8
95.01392	1.4
95.05030	0.5
96.96011	8.1
97.02948	1.6
99.00868	0.7
101.02437	0.9
105.03427	0.7
107.01383	0.6
108.02171	1.1
109.02960	3.0
111.04507	1.0
113.02454	1.3
123.00882	1.4
124.01675	1.0
125.02448	48.2
126.02763	2.0
133.02936	0.5
136.05315	0.6
137.02451	1.9
138.03252	0.7
139.04057	1.8
149.02437	1.0
151.00386	0.5
155.03416	0.5
161.02451	5.3
163.03926	0.5
165.01909	1.7
166.99901	0.9
167.03531	2.4
168.00687	0.7
169.01427	100.0
170.01744	4.0
173.04570	0.5
175.03938	0.7
177.01929	6.7
178.02235	0.6
179.03429	0.5
189.01892	2.7
190.02586	0.5
193.01439	2.9
216.04143	0.4
217.01402	4.6
219.06694	0.6
221.04486	0.8
231.02966	0.5
244.03908	0.8
249.05943	0.5
259.06058	2.6
287.05411	0.5
301.07150	8.1
302.07468	0.8
305.06711	0.4
312.06570	0.5
313.07141	0.8
319.04507	0.9
341.06656	2.4
357.06110	2.5
371.24490	1.3
391.86716	0.4
419.11301	0.5
426.64728	0.4
447.11508	0.5
463.10223	4.1
481.11450	7.1
482.11676	0.7
484.52164	0.4
490.88376	0.4
497.35019	1.1
498.35345	0.6
507.09122	1.1
633.12701	1.9
659.27332	3.4
660.27466	5.9
661.26794	0.7
695.33301	1.5
696.33362	1.3
697.31580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01725	1.6
68.74491	0.4
69.22176	2.7
69.22607	1.8
78.95903	13.6
97.14685	0.4
123.87334	0.4
131.14308	0.4
131.59628	0.5
147.62476	0.4
192.05319	0.5
205.15942	1.2
214.11018	0.5
279.23206	0.6
340.20795	0.5
436.35162	0.5
510.95395	0.5
624.70117	0.5
653.29932	0.7
685.75751	0.5
695.31177	48.7
696.31482	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	695.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.1
57.03437	2.2
59.01379	3.4
61.98820	2.3
67.01864	0.8
68.99811	2.7
69.03458	0.9
71.01381	3.7
73.02946	1.7
75.00869	1.5
83.01376	1.1
85.02945	6.5
87.00881	1.2
95.01389	1.6
96.95953	0.8
97.02896	0.7
99.00880	4.6
101.02467	1.6
105.03458	1.0
107.01357	1.6
108.02154	1.1
109.02983	1.3
111.00870	2.2
113.02463	5.0
113.99593	9.8
115.00378	5.1
121.12385	0.7
123.00877	1.9
125.02444	21.3
127.00360	2.7
129.01923	1.2
139.00336	1.8
139.11226	1.0
140.01135	0.7
141.12854	0.8
151.00354	1.6
157.01437	2.6
157.12346	2.1
161.02428	8.9
164.01112	0.7
168.00531	0.7
169.01416	40.2
169.12344	1.6
175.03964	0.8
176.96741	0.7
177.01912	6.1
185.11809	2.0
189.01894	1.1
193.01352	1.4
215.12839	2.3
217.01442	3.5
246.10390	0.8
259.06125	0.8
277.05627	9.3
278.06229	0.8
301.07230	6.6
329.23260	2.7
330.23697	0.8
334.53720	0.7
341.06702	1.8
357.06216	1.2
357.26447	5.8
373.26022	4.5
375.27481	78.6
376.27795	9.2
394.10596	0.8
463.10349	4.5
481.11386	4.9
543.23376	0.9
568.13641	0.7
633.12439	1.2
639.16272	0.7
695.24866	7.5
695.35004	100.0
696.35419	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	695.293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.1
69.60545	8.9
71.01382	2.1
71.26175	1.3
79.15838	1.3
80.38338	1.2
83.01395	1.5
84.50733	1.5
94.02982	27.7
94.03532	2.4
94.06634	1.8
106.06580	1.8
108.04550	4.5
110.06092	7.9
114.93400	2.0
120.08131	1.4
122.06139	12.5
124.04023	4.3
125.02435	5.4
134.06113	2.9
136.04033	4.4
136.07681	1.5
137.04840	2.1
138.05630	8.8
144.04547	2.2
147.05638	2.3
150.05582	5.4
161.03586	1.4
161.04845	3.7
162.05653	2.2
167.03494	1.4
169.01414	3.7
174.05574	4.9
175.05019	1.8
176.42586	1.4
177.01965	1.3
180.06709	2.1
186.05713	1.7
186.12859	2.3
187.06371	1.3
201.10303	13.0
203.05818	4.1
203.11835	2.0
213.10281	7.0
215.11847	3.8
227.11894	4.2
229.09840	13.8
229.13446	5.3
230.13733	1.6
237.10294	2.9
239.08186	1.3
239.11816	14.0
241.09758	2.1
249.10420	1.5
251.08257	1.9
251.11842	5.7
255.11351	5.6
257.12921	4.9
259.10822	3.7
263.08145	1.7
263.11945	2.1
264.08945	7.6
265.09842	7.2
265.12601	1.3
266.10406	2.4
267.11346	5.3
273.12442	4.7
274.12399	1.4
277.09805	4.7
278.10431	2.6
279.11316	14.2
280.11942	5.0
281.09366	3.1
281.12686	2.1
283.10815	4.1
289.12006	2.1
290.10522	2.5
291.07739	4.3
291.11368	8.9
292.08524	13.2
292.11694	2.3
293.09186	5.8
301.11908	25.1
302.12225	1.9
305.09293	2.5
306.10135	4.8
307.10846	35.2
308.11469	9.7
309.12265	2.9
311.10291	3.3
319.12973	75.6
320.13275	5.6
325.11728	3.5
327.13443	4.1
329.11490	1.9
333.08774	2.2
335.10553	2.5
340.10596	3.1
343.13031	3.0
344.13852	2.9
346.15695	1.9
349.13989	1.7
350.09122	8.8
351.09818	35.8
352.10394	5.7
358.15671	2.4
359.12521	1.8
365.11478	1.9
372.13385	3.6
374.14978	2.1
383.12445	1.8
386.14917	5.5
388.16946	2.4
389.17252	1.8
400.16528	2.5
403.14709	2.1
404.16074	9.1
405.16599	3.1
406.17590	2.4
414.14362	5.2
416.15866	3.9
417.16559	1.6
418.13675	2.9
420.19202	1.7
429.16882	3.1
430.17578	4.4
432.15518	4.6
437.15891	3.1
446.17258	4.3
447.17917	5.4
448.18637	2.5
474.16541	4.8
480.21448	3.6
491.16998	3.7
492.17972	6.8
506.19284	21.0
507.19431	2.5
519.25916	2.3
520.20758	2.5
527.23181	9.8
533.21796	1.6
538.21912	60.0
539.22369	8.6
545.23944	11.3
546.24609	2.2
551.23175	3.0
557.23572	3.0
569.23865	11.7
570.24426	2.6
571.21814	6.8
582.83875	1.6
587.25092	42.6
588.25287	5.9
590.24329	1.7
603.24463	9.9
604.24329	2.9
613.23169	7.2
619.27362	4.0
631.24084	50.2
632.24036	8.3
633.25629	1.9
635.27368	7.1
645.25671	16.0
646.25854	2.9
663.26703	100.0
664.27209	20.9
677.28082	5.8
695.19489	1.9
695.29626	24.7
696.29541	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	695.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87572	1.9
57.03441	2.6
59.01379	16.4
61.98835	2.8
62.93408	2.1
70.18352	9.2
71.01384	10.1
73.02940	12.7
75.00861	5.1
81.03448	2.7
85.02950	9.6
87.00871	3.5
89.02435	2.4
94.02983	47.7
95.04980	2.8
96.04527	2.8
96.96008	8.4
99.00880	5.6
101.02432	4.9
107.01460	2.6
107.66616	2.0
108.02258	2.3
108.04595	3.4
109.02957	2.2
110.06110	12.0
113.02449	6.2
122.06118	16.6
125.02454	29.1
132.50778	2.1
136.04062	2.6
137.02434	3.0
138.05614	16.5
142.45607	2.0
144.04587	2.5
150.05583	3.8
160.07658	2.4
161.02464	2.5
169.01427	33.5
207.81847	2.4
229.09808	3.8
239.11874	5.1
249.06149	3.1
249.10405	4.0
251.11940	3.2
261.10284	4.8
262.11154	6.1
263.08313	2.2
263.11823	11.3
264.08917	3.9
264.12457	4.5
265.09808	2.4
265.13586	4.1
276.09000	26.4
277.09729	8.1
278.10669	3.5
279.11273	3.4
289.09790	3.4
290.10583	6.2
291.11392	58.7
292.08817	3.1
292.11844	12.4
293.12924	4.9
295.11118	2.2
301.11972	5.9
305.06610	4.3
307.10797	8.9
308.11374	4.2
309.12228	2.5
319.12955	14.4
321.12430	7.0
322.13196	6.5
323.10437	2.1
323.13986	43.3
324.10992	3.8
324.14465	4.2
344.14203	2.5
345.15265	3.1
351.09799	6.1
354.12241	2.2
356.14374	4.0
358.15802	2.9
360.17294	5.4
361.17856	2.5
372.17188	4.6
373.18036	2.8
384.17349	3.9
386.15024	6.2
386.19138	5.1
387.15521	4.9
400.16531	6.4
401.17413	5.7
402.18466	3.4
404.16153	7.2
412.16904	2.8
413.17609	4.8
416.16226	5.7
418.17520	7.3
419.14536	3.2
430.17535	11.0
431.18359	6.4
432.19180	9.1
434.17227	7.4
444.19318	9.7
445.19788	7.1
448.18695	6.1
462.20374	33.1
463.20859	8.6
473.16174	3.1
474.17133	2.5
489.19043	5.2
492.18213	3.0
506.19339	12.6
507.20029	31.1
508.20566	8.6
509.22086	4.6
515.21503	2.9
527.22906	9.4
533.22522	12.2
538.21741	16.2
539.22455	4.4
559.25665	12.0
560.25366	3.0
569.24097	8.3
571.21899	3.0
585.23639	5.9
587.25098	17.3
601.26532	12.9
603.24652	39.5
604.24695	7.5
613.22357	5.9
619.27991	17.4
620.28613	2.4
627.24213	3.2
631.23956	11.1
632.24591	3.3
633.26227	2.9
635.26990	27.7
636.27704	6.4
645.25409	22.1
646.26031	3.4
651.36957	2.9
663.26685	100.0
664.26941	19.3
677.28314	5.3
695.27716	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.2
59.01375	12.2
61.98808	2.4
62.85540	1.5
65.00309	4.2
69.03446	3.8
69.87341	4.9
69.87747	2.7
71.01397	7.8
72.99305	1.6
73.02947	2.5
73.43822	1.5
75.00864	4.5
83.01374	5.2
85.02941	6.9
87.00868	3.0
89.02439	3.2
89.81597	1.3
94.02974	14.1
95.01360	3.2
95.46643	1.5
95.47319	1.4
96.95988	2.2
97.02932	1.6
98.20566	1.9
99.00865	2.8
101.02438	4.0
107.01389	14.3
108.04551	2.6
109.02978	2.6
111.00900	3.8
113.02425	6.7
117.03368	1.5
119.04995	5.9
120.04588	1.7
122.06104	4.0
123.00891	7.2
124.01702	2.1
124.04061	1.7
125.02445	96.6
126.02779	4.0
134.06117	2.6
136.05316	2.0
136.98705	1.5
138.05557	3.7
139.00366	3.1
140.01103	2.0
143.03537	2.7
143.04993	2.8
145.02943	13.4
149.02475	1.6
150.05605	1.8
151.00392	14.7
151.03918	1.6
153.01802	1.7
155.33401	1.5
161.02414	2.8
161.06075	4.5
165.09149	2.6
167.03505	3.0
168.00623	3.6
169.01421	100.0
170.01750	3.8
174.05537	2.1
177.01901	2.6
179.03564	1.8
180.06544	2.6
185.06088	3.8
185.49425	1.5
201.10268	3.7
207.06728	2.7
211.02469	1.7
213.10323	2.9
215.11891	2.3
229.05035	37.7
229.09833	5.2
230.05415	2.1
237.10211	1.6
239.11830	7.4
241.03442	2.0
249.10428	1.8
251.11845	4.1
255.06479	1.7
263.08038	2.3
263.12030	1.8
264.08890	7.3
265.09747	3.3
267.11426	3.0
272.49484	1.6
277.09891	3.0
278.10556	3.1
279.11380	12.1
281.12997	2.6
283.10730	2.7
291.07755	3.0
291.11288	2.3
292.08524	16.0
293.09106	5.8
295.04520	2.3
295.10855	2.0
301.11951	6.4
306.10025	5.6
307.10861	36.2
308.11411	6.7
311.10333	2.1
313.05652	24.7
314.05997	2.0
319.12939	18.6
322.13025	2.1
333.08652	1.8
339.13611	1.9
344.14008	1.9
350.08929	8.4
351.09851	35.0
352.10092	5.3
372.13452	2.0
383.12363	1.8
386.15100	2.5
404.15936	3.1
430.17422	2.7
446.17279	2.2
447.17676	4.4
465.06683	16.1
466.06787	2.8
474.16840	3.4
491.16684	3.8
492.17502	6.8
497.34857	8.5
506.19455	25.9
507.19592	2.8
517.53394	1.6
527.23108	2.6
533.29938	2.7
538.21918	76.2
539.22137	11.8
543.11353	5.7
545.24023	4.0
569.24170	5.1
571.21924	2.9
587.25220	9.9
603.24286	2.3
613.22815	4.3
619.27472	2.4
624.83289	1.9
631.23816	12.3
632.24451	4.0
645.25720	14.5
646.25891	2.1
659.27258	2.5
659.39905	2.6
663.26672	36.1
664.26947	6.1
677.28412	5.3
695.12439	83.7
695.34216	17.8
696.12769	23.5
696.28168	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	695.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07441	2.3
57.03433	3.1
59.01377	16.3
60.53307	2.0
61.98809	3.1
63.48642	2.2
64.52792	2.3
69.81797	3.2
69.82210	9.6
71.01375	10.1
72.99306	3.4
73.02948	16.7
75.00861	3.6
78.95892	2.7
82.02986	5.0
83.01383	2.8
83.79184	2.1
85.02941	9.6
87.00867	4.7
89.02451	4.0
89.11367	2.4
94.02987	53.0
96.96007	10.1
99.00871	7.2
99.88347	2.1
101.02445	2.6
101.41769	2.1
101.87798	2.2
103.04134	2.8
108.04544	5.1
110.06123	11.5
111.00926	3.5
113.02449	6.5
120.08160	2.7
121.05322	2.5
121.43362	2.3
122.06111	15.7
123.00837	3.8
125.02444	29.3
126.84827	2.6
136.03986	3.9
138.05577	20.6
139.04010	3.2
150.05635	3.3
161.02419	3.0
167.03297	2.3
169.01436	35.1
177.01849	4.5
209.11778	2.5
213.10432	3.6
219.68599	2.5
235.08772	2.4
237.10323	2.3
239.11848	4.2
248.09409	3.0
249.06049	5.4
249.10344	3.1
250.10512	3.5
252.67694	2.4
255.11131	3.0
260.79800	2.7
261.10175	2.8
262.11093	6.8
263.08139	2.4
263.11850	15.0
264.12500	3.4
265.13342	5.6
267.07056	3.4
273.12299	2.5
276.09058	25.1
277.09674	8.3
278.10419	5.8
279.11285	4.3
283.15430	3.9
290.10526	8.5
291.11377	63.2
292.08826	3.1
292.11740	11.2
293.09351	4.5
293.12787	6.1
301.11929	7.3
305.06543	3.5
306.10172	2.6
307.10809	10.0
308.11478	5.8
319.12927	19.9
321.12457	4.7
322.13126	2.7
323.10272	4.3
323.13974	42.5
324.11163	3.3
327.13550	2.6
339.57629	2.3
344.13788	3.1
351.09735	7.1
354.12903	2.4
358.15778	4.9
359.16251	2.9
360.17249	2.9
372.13177	4.2
372.17310	5.7
384.17239	3.5
386.14877	6.8
386.19067	5.0
387.15588	2.7
388.16467	4.9
398.14697	2.8
400.16754	5.6
402.18198	3.7
403.18411	2.3
404.15964	6.8
412.16470	4.3
413.17404	9.4
414.18506	4.5
416.15897	4.4
418.17532	7.0
429.16638	2.8
430.17700	12.5
431.18802	6.0
432.19037	8.8
434.17157	9.3
444.19171	9.6
445.20135	7.0
448.18668	4.9
462.20477	31.8
463.20908	11.1
474.16202	2.6
489.18921	5.2
492.17615	3.9
506.19504	12.1
507.20023	35.7
508.20383	5.5
509.21594	2.9
511.12585	3.0
515.21338	8.4
527.23010	4.8
533.22595	20.7
538.22095	19.9
539.22443	3.8
545.23975	4.9
547.27332	3.4
559.25476	11.5
560.26062	3.4
569.24084	11.5
570.23969	2.9
585.23334	6.0
587.25085	23.6
588.25604	4.1
601.26581	9.4
603.24664	50.3
604.24854	8.2
613.22565	3.1
619.27563	18.3
631.24207	19.5
632.24487	3.0
633.25720	3.6
635.27258	29.4
636.27338	4.9
645.25403	25.4
646.26154	4.9
663.26740	100.0
664.26770	16.9
677.28284	4.8
695.28369	23.3
696.30542	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	695.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90188	0.7
57.03441	1.8
59.01382	10.5
61.98822	5.8
65.00325	3.2
67.01883	2.2
68.99821	1.2
69.03440	3.0
71.01379	6.3
71.55393	1.0
71.55751	1.0
72.99307	1.6
73.02942	2.6
75.00861	2.9
79.01896	1.0
81.03431	1.9
81.93197	0.8
83.01385	4.2
85.02961	7.5
87.00870	2.2
89.02440	2.9
93.03473	1.1
95.01375	4.0
96.96014	2.6
97.02965	2.7
99.00869	2.6
101.02436	3.3
107.01395	20.9
107.81162	0.8
109.02921	2.2
111.00885	6.2
111.04499	0.9
113.02457	5.8
115.03867	0.6
116.92821	1.1
117.03447	0.8
119.05041	4.6
121.02950	1.5
123.00876	16.1
124.01644	3.4
125.02444	87.3
126.02795	4.5
127.00337	1.3
135.04530	0.8
136.98813	2.2
137.02422	3.0
139.00386	6.5
140.01151	7.7
141.01950	2.3
143.04968	2.3
145.02921	4.6
151.00360	17.7
151.03978	1.3
153.01869	1.1
154.99944	0.9
161.02376	1.6
161.06052	3.6
163.03934	1.3
165.05598	1.0
167.03456	2.1
168.00629	9.4
169.01419	100.0
170.01776	5.5
172.05302	1.0
177.01936	1.8
179.03539	1.7
181.01463	1.7
181.04929	1.1
185.06088	2.6
193.01375	1.5
211.02434	2.4
229.05048	28.2
229.08537	1.1
230.05336	2.6
253.03387	1.0
295.04758	0.9
305.06866	1.0
307.19049	2.2
313.05652	12.9
369.22430	1.5
375.27582	3.5
376.27466	0.9
465.06793	6.4
497.34793	2.4
519.31592	3.8
525.23236	1.6
533.34973	1.8
543.11414	2.1
543.24500	25.7
544.24457	4.1
695.12585	48.2
695.25446	98.2
695.35327	12.4
696.13013	12.3
696.25830	18.7
696.35785	2.8
711.45898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01383	3.0
59.08617	0.6
60.52139	0.5
60.99933	0.5
61.98824	1.0
65.00323	3.5
66.34790	0.5
67.01869	0.9
69.03461	2.1
71.01376	5.1
71.30672	1.1
72.99325	0.9
73.02937	0.7
75.00874	2.4
79.01885	0.9
81.03451	1.4
83.01389	5.0
85.02945	5.4
87.00872	1.5
89.02433	1.0
93.03445	0.8
94.02992	0.9
95.01385	2.0
96.96004	0.6
97.02957	2.8
97.23380	0.5
99.00871	1.5
101.02451	2.4
105.03445	0.8
107.01382	14.4
108.02201	0.6
109.02954	1.4
111.00887	1.3
113.02431	3.7
119.05006	4.0
121.02940	0.8
123.00888	7.0
124.01656	1.6
125.02442	91.3
126.02779	1.7
135.04599	0.7
136.98796	0.8
137.02460	2.0
138.05565	0.6
139.00360	2.8
139.04053	1.2
140.01154	2.8
141.01889	0.6
143.03497	1.3
143.05035	3.2
145.02946	10.6
146.03227	0.6
149.02400	0.9
151.00357	14.8
152.00842	0.5
153.01941	0.9
159.04530	0.6
161.02464	3.5
161.06046	3.5
165.01868	0.8
166.99837	0.9
167.03508	0.8
168.00636	4.5
169.01416	100.0
170.01781	3.2
175.02478	0.6
177.01912	2.9
185.06053	4.2
187.04047	0.9
189.01883	1.0
191.03429	0.5
193.01393	1.8
211.02345	2.9
217.01361	1.6
229.05042	41.8
230.05338	2.7
235.02342	0.7
237.03889	0.9
239.11981	0.7
241.03493	0.7
253.95773	0.5
271.06305	0.7
279.11594	0.7
295.04535	3.5
301.07184	3.3
307.10895	2.4
313.05603	22.7
314.06055	1.5
319.13040	1.4
341.06628	0.8
350.09094	0.7
351.09625	2.5
407.26419	1.5
423.05768	0.9
463.10333	2.2
465.06726	18.3
466.07117	2.7
481.11371	2.3
492.17429	0.9
497.34818	2.1
506.19852	1.2
507.09537	0.6
533.29602	0.7
538.21899	6.2
539.22321	0.7
540.37195	0.6
543.11365	5.5
544.11810	0.9
547.26923	0.6
631.24316	0.9
633.11963	1.0
645.25793	1.2
663.26831	3.8
664.27472	0.6
695.12518	91.1
695.34808	13.4
696.12909	20.1
696.34387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	15.6
67.23786	4.7
69.39183	5.3
71.01363	14.4
71.32826	7.7
72.99317	6.1
75.67470	4.4
83.01366	7.6
85.02948	9.3
89.02459	5.4
92.75070	4.2
96.96033	11.7
101.02406	5.1
107.01389	13.1
109.02937	8.0
113.02449	12.1
115.14594	4.3
123.00891	16.7
125.02445	89.5
126.02769	12.5
137.02434	17.8
139.00322	9.5
140.01128	7.8
151.00328	33.4
168.00662	10.2
169.01416	85.4
170.01724	14.0
177.01895	5.8
178.99878	13.6
195.06630	7.0
313.05554	7.3
317.03036	76.9
318.03430	7.0
335.12460	6.1
389.10733	27.1
390.11160	34.0
402.29486	4.7
541.11945	44.0
542.12341	100.0
543.12677	11.9
605.11420	36.2
631.09558	21.0
694.13599	20.3
694.24841	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	695.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.4
59.01380	0.6
62.60768	0.4
69.03449	1.0
71.01382	13.1
81.03439	0.5
83.01392	0.6
87.00895	0.9
93.03426	0.7
95.01391	0.6
97.02962	1.0
107.01367	0.9
109.02991	0.8
111.36932	0.4
115.00373	9.3
121.02955	96.8
122.03282	3.3
123.00876	0.8
124.01653	0.7
125.02446	48.1
126.02791	1.1
137.02437	1.0
139.04016	1.0
160.99365	0.5
161.02431	3.0
165.01917	0.5
166.99872	0.6
167.03539	1.2
169.01421	100.0
170.01759	3.2
179.03497	0.6
193.01443	1.2
219.06514	0.6
237.04034	13.2
237.06383	0.8
238.04356	1.0
269.04672	0.7
287.05637	1.9
295.11047	0.4
305.06570	3.7
315.79208	0.4
317.11697	0.6
331.04672	1.8
335.12448	1.0
453.37988	0.6
457.07730	7.3
458.07974	0.7
569.84875	0.5
695.17719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
58.00584	0.7
59.01380	16.6
61.98835	8.5
68.31965	0.6
69.03437	1.0
69.31316	5.7
71.01379	10.0
72.99303	1.4
73.02938	2.1
78.95907	1.3
81.03451	0.6
83.01386	1.4
83.07687	0.7
85.02942	2.5
87.00876	1.6
89.02444	12.4
91.03973	0.9
91.21476	0.8
92.38535	0.7
92.71456	0.7
93.20461	0.8
95.01395	1.3
96.96011	0.8
97.02945	2.7
99.00852	0.9
101.02444	9.3
113.02448	5.5
113.09729	1.8
116.92916	1.0
119.03545	3.5
124.01661	0.8
125.02434	6.2
125.09784	0.7
132.72034	0.8
143.03499	1.0
144.87617	0.7
148.36925	0.7
158.82071	0.6
161.04593	1.9
163.75186	0.6
169.01431	2.4
171.10295	1.3
179.05571	2.9
195.13898	12.6
195.15572	1.2
196.14235	1.0
211.13310	1.3
235.08284	2.9
253.09346	1.0
277.21698	11.5
295.22769	100.0
296.23132	9.7
305.08786	1.4
397.13510	19.1
398.13675	1.4
415.14545	21.0
416.14984	1.7
542.61401	0.8
619.32050	1.0
649.07031	0.7
665.21271	0.9
693.36194	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.6
58.65494	0.8
59.01378	5.3
61.98841	2.0
66.05462	0.8
68.99802	3.9
69.03449	1.1
69.82738	3.9
71.01398	4.3
72.88850	0.9
73.02963	2.4
75.00892	2.4
83.01408	1.5
85.02953	6.2
87.00874	1.8
89.02444	1.0
95.01411	2.4
96.96014	1.5
97.02962	0.7
97.06596	1.4
98.20542	1.4
99.00884	4.6
101.02470	1.4
106.13163	0.8
107.01402	2.0
111.00882	2.8
113.02438	5.9
113.99600	10.9
115.00412	4.5
123.00890	2.3
123.08151	2.2
125.02444	12.2
125.09701	1.9
126.02820	1.9
127.00343	1.8
127.11244	0.9
129.01947	1.9
137.09782	1.3
139.00363	2.0
139.11249	1.0
143.10791	1.0
149.02492	0.9
151.00328	1.6
155.03473	1.1
157.01408	2.1
165.09148	0.8
168.00610	1.5
169.01402	11.7
170.01715	2.2
171.10242	5.0
185.11864	8.0
277.05649	11.0
307.18933	0.9
341.69901	0.7
355.24808	1.5
371.24625	1.4
373.25931	68.4
374.26364	6.9
464.25519	1.1
477.13260	0.9
495.33273	4.6
496.33987	1.3
507.27103	0.8
541.22571	1.6
693.23346	7.7
693.33484	100.0
694.23492	1.4
694.33679	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
57.03440	1.8
59.01379	3.1
61.98824	2.1
66.61935	0.6
68.99827	3.2
69.03481	0.8
69.58273	1.3
69.58679	1.9
71.01389	3.1
72.99315	1.0
73.02941	1.6
75.00871	1.7
83.01411	1.1
85.02951	6.5
87.00887	1.8
93.03490	0.8
95.01405	1.8
96.96030	1.0
97.02965	0.7
97.06601	0.7
99.00877	4.4
101.02448	1.1
111.00890	1.8
113.02453	5.7
113.99593	9.5
115.00422	3.2
119.05006	0.9
121.03008	0.5
121.10204	1.1
123.00885	0.6
125.02457	5.3
125.09716	1.5
127.00353	1.3
129.01936	1.2
136.05273	0.8
139.00354	1.1
139.11287	1.7
141.12871	0.9
147.65923	0.6
157.01433	3.0
157.12352	1.2
163.44577	0.6
165.05461	0.5
165.09193	1.1
167.03471	0.8
169.01422	5.0
169.12306	1.4
177.01852	0.7
185.11803	4.7
215.12863	8.6
261.94324	0.5
277.05621	9.7
278.05988	0.6
313.23804	1.4
325.23752	1.2
343.24878	9.0
355.24887	3.4
371.24561	1.5
373.25922	59.0
374.26306	6.6
388.66324	0.5
477.32379	0.7
495.33450	1.4
517.30194	0.7
541.22583	0.7
661.24170	0.7
693.33423	100.0
694.22211	1.3
694.33777	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	693.334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
58.00576	0.8
58.79939	0.8
59.01371	3.1
60.53292	0.7
61.98825	1.1
68.99806	2.6
69.03456	1.5
69.17432	7.3
70.17190	0.8
71.01372	2.9
73.02927	1.9
75.00858	0.8
77.65706	0.7
85.02943	4.8
87.00874	1.5
87.04475	0.9
95.01414	1.7
96.95988	0.9
97.06557	1.0
99.00895	4.1
101.02472	1.0
107.01317	0.7
111.00859	1.9
113.02437	5.1
113.99587	10.1
115.00396	3.5
117.24015	0.6
123.00891	1.4
123.08160	1.5
125.02424	5.8
127.00353	2.2
129.01996	0.7
139.00383	1.2
139.03914	0.9
139.11293	1.2
157.01401	2.5
157.12332	1.8
168.00671	0.8
169.01443	5.4
185.11823	5.0
215.12903	7.3
239.19724	0.8
277.05658	10.2
278.05927	0.8
313.23587	0.9
337.59659	0.8
343.24905	7.7
344.24805	0.8
355.24905	3.2
371.24509	1.1
373.25922	57.2
374.26300	6.6
395.96619	0.7
455.64185	0.7
457.07465	0.9
495.33386	1.2
528.81073	0.8
541.22540	1.5
693.33417	100.0
694.22260	1.7
694.33759	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36675	1.5
59.01380	13.9
59.37405	1.5
59.64146	1.6
65.23170	1.6
71.01369	3.8
72.96803	1.5
75.00888	3.2
78.32908	1.7
85.02940	3.5
94.02988	14.0
95.01397	1.7
96.46529	1.9
96.95959	2.9
98.20667	4.0
99.00859	3.6
101.02454	1.6
103.83240	1.7
107.01383	2.5
110.06074	2.8
111.00938	2.3
111.62193	1.8
113.02435	4.3
113.99522	2.1
115.00358	2.3
122.06154	2.1
123.00845	2.6
125.02453	14.8
138.05592	6.7
139.00357	3.1
151.96165	1.7
157.01460	1.6
160.54498	1.8
168.00667	3.9
169.01434	15.5
216.97328	2.0
225.14897	3.4
240.36627	1.8
251.08217	3.5
263.08246	13.9
264.08810	1.8
264.95734	1.9
265.09769	2.6
271.04703	2.0
275.08167	2.7
276.09045	4.8
277.05826	2.4
277.09830	14.0
278.10574	5.3
279.11285	4.4
291.07767	55.7
292.08109	5.9
298.81281	2.0
305.09338	12.2
306.10077	59.0
307.10693	12.8
308.07898	2.0
321.12424	4.8
337.07758	5.3
337.11911	2.3
338.08878	5.0
338.12677	2.3
343.11703	1.9
350.09079	100.0
351.09409	11.8
365.11349	15.4
370.11856	3.4
384.13803	2.2
386.14850	2.8
390.15088	1.8
398.14639	2.5
400.17065	2.5
402.64609	1.8
412.12982	2.9
414.14865	4.2
416.16345	5.3
426.14493	1.9
427.15158	2.3
428.16153	4.9
430.14005	10.3
431.13916	2.1
444.15814	4.0
445.16327	16.0
446.17297	10.9
460.18631	6.3
462.26971	2.1
474.20374	2.1
477.15192	4.9
478.19818	2.8
489.15140	6.0
490.16107	20.3
491.16489	2.5
492.21204	6.3
505.18793	8.5
521.17786	8.9
522.19061	9.5
537.21552	3.4
538.21820	2.0
541.19330	3.2
567.22290	3.8
585.23499	30.8
586.23621	3.9
587.25073	2.8
589.21722	2.4
599.25256	6.4
617.26178	22.3
618.26465	5.3
629.22601	13.5
630.23193	3.0
649.23401	7.3
661.25122	100.0
662.25372	21.5
693.19818	11.8
693.27844	24.4
694.19623	2.6
694.28778	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	693.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50303	2.5
57.03461	3.0
59.01385	20.0
61.98814	7.1
63.89993	2.2
66.47431	2.5
69.03436	3.3
71.01376	8.7
73.02953	3.1
75.00849	6.6
81.35446	2.4
82.02974	5.2
83.01374	4.0
85.02944	10.6
87.00906	3.2
88.98775	3.8
89.02459	3.5
94.02985	56.1
95.01375	4.7
95.05011	3.0
96.04523	3.0
96.96006	6.9
99.00877	3.3
99.04558	2.6
101.02427	3.9
107.01392	13.3
109.02902	3.6
111.00888	3.4
113.02461	12.0
117.03425	2.5
120.08193	39.0
121.05292	3.9
122.06127	24.5
123.00867	7.3
124.01623	3.3
125.01509	5.5
125.02440	95.3
126.02804	4.7
127.05103	4.3
136.66219	2.2
137.02429	5.9
138.05606	27.1
144.04533	7.7
145.03020	2.7
150.03226	3.8
151.00368	6.2
151.03955	4.4
153.01941	4.9
161.02463	6.3
167.03415	4.0
168.00630	5.1
169.01419	92.3
170.01746	10.8
174.05588	4.4
177.01924	7.4
180.06757	2.9
188.03516	2.8
203.05846	5.2
215.11945	3.2
236.09462	3.9
238.11041	2.5
250.07407	3.1
251.11929	25.1
253.05081	3.0
253.09680	2.6
263.08051	4.4
263.11679	4.8
264.08960	6.3
265.09811	4.1
265.13324	3.7
266.41418	2.5
271.06253	2.6
271.09995	3.0
276.08948	7.8
277.09763	22.6
278.10403	10.6
289.29422	2.3
291.11407	34.4
292.12057	29.4
293.13019	24.4
293.16028	4.8
324.11105	4.8
335.10455	18.9
336.11057	10.9
337.11871	6.6
344.13907	3.1
345.10950	2.5
346.15558	4.4
358.15607	3.1
372.17273	7.4
373.17786	5.0
373.25720	6.3
374.18585	5.1
386.14746	3.4
386.19009	2.7
387.19226	3.6
388.16623	4.1
400.16675	3.1
405.24896	10.9
406.24771	2.5
414.18167	22.1
415.18619	7.0
418.17630	10.2
419.18134	2.9
433.09125	4.6
440.15762	3.3
441.16995	6.1
451.10327	3.4
458.10394	3.5
458.17032	29.2
459.17816	23.3
460.18530	2.8
476.18170	3.5
484.64014	3.2
490.19815	100.0
491.20132	19.8
504.17401	4.0
508.20749	4.3
511.23959	4.3
522.26898	4.2
536.20282	6.5
541.13660	8.0
541.22449	13.5
553.24005	5.2
555.22205	14.2
571.25433	7.0
587.25244	16.5
597.23492	23.9
605.25763	4.6
615.24457	67.9
616.24768	17.0
629.26324	18.0
630.26257	4.5
633.25079	6.3
647.27179	47.9
648.27234	12.6
661.25250	4.3
693.14093	4.3
693.23151	39.0
693.36108	25.2
694.25610	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	693.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.9
60.99289	1.5
66.54961	1.3
67.01854	1.4
69.03429	1.0
71.01360	3.5
72.99269	1.4
73.02944	3.4
79.52389	1.1
81.94370	1.2
83.04972	1.1
85.02960	3.1
87.00843	1.3
88.98774	4.3
94.02970	1.5
95.01351	2.2
96.96014	1.3
101.02419	2.8
107.01388	9.2
111.00867	4.2
113.02433	3.4
123.00882	10.5
124.01602	1.4
125.02454	57.6
126.02797	2.8
136.98790	2.0
137.02428	2.1
139.00342	5.5
140.01094	4.3
140.89555	1.1
151.00389	8.5
161.02382	1.3
166.99913	1.2
168.00603	4.6
169.01421	70.4
170.01707	3.2
177.01877	2.1
179.03529	1.4
185.11699	1.5
211.02458	2.1
211.83511	1.2
229.13269	2.0
259.47906	1.9
295.04822	1.1
313.05560	3.3
319.12918	2.4
405.24792	3.4
446.17188	1.9
523.21796	1.4
541.22809	15.9
542.23230	2.1
562.26758	1.4
585.23193	1.9
617.25732	2.6
629.22424	1.6
633.73932	1.4
661.25256	7.5
693.23718	100.0
694.24054	15.1
702.92059	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90339	0.5
57.03446	1.1
59.01371	2.3
68.02537	0.7
68.99805	0.6
71.01376	1.7
75.47220	0.5
85.02953	13.1
89.02462	1.2
95.01401	0.6
96.95992	1.8
97.02980	0.6
99.04476	0.7
101.02409	0.9
106.33425	0.5
107.01380	1.8
109.02947	2.0
111.00907	1.6
113.02457	0.9
115.03192	0.5
121.02959	100.0
122.03286	3.6
123.00882	2.3
123.04540	1.5
124.01701	0.7
125.02447	24.3
126.02770	1.2
129.01959	3.1
137.02455	1.8
139.00436	1.1
140.01161	1.2
151.00462	0.8
151.03990	1.6
161.05974	0.6
166.99896	0.6
168.00618	3.1
169.01421	38.6
170.01736	2.1
193.01439	1.2
203.07126	0.9
211.02487	4.4
212.02802	2.0
245.08159	1.7
251.05598	9.8
271.04395	6.7
272.04947	4.2
273.05038	3.3
289.07178	11.1
290.07642	0.8
306.79749	0.6
331.06625	1.6
332.07114	1.3
333.07300	0.9
355.58704	0.5
371.09961	1.2
389.10785	5.7
441.08234	11.2
442.08868	0.6
527.06232	0.7
530.11761	0.5
531.20673	1.4
541.11517	2.8
610.54291	0.6
693.13464	8.1
693.25531	2.0
694.14020	1.6
694.25403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64948	1.4
53.62536	1.5
55.22700	1.2
59.01388	6.9
62.35896	1.4
67.01865	2.7
69.03429	2.3
69.17592	8.8
69.18016	3.7
71.01376	8.5
72.99284	2.3
73.02954	2.2
74.02473	3.6
79.01886	1.9
81.03447	1.4
83.01385	2.1
85.02927	4.9
87.00866	2.5
89.02445	2.6
95.01383	4.9
96.95994	4.4
97.02947	3.6
98.19849	2.1
99.08122	1.3
101.02436	3.2
107.01393	14.0
111.00890	6.1
113.02439	3.9
123.00897	23.0
124.01638	5.7
124.48745	1.3
125.02449	76.0
126.02745	2.2
136.98790	3.6
137.02437	3.4
139.00404	8.1
140.01207	7.7
141.01920	3.4
145.02968	1.6
145.08662	1.9
149.02383	1.5
151.00348	15.2
151.29118	1.3
161.89246	1.2
163.04024	1.6
166.99829	2.4
168.00632	12.1
169.01436	96.5
170.01759	5.7
177.01808	2.0
179.03456	1.5
193.01402	1.6
194.74268	1.4
203.08157	1.9
211.02505	3.8
245.09267	5.8
307.13934	7.3
313.05603	4.7
371.09662	9.4
380.09402	1.3
381.12305	1.3
385.45938	1.6
389.10925	48.3
510.55853	1.3
541.11902	87.1
542.12225	13.5
631.09448	2.3
693.12939	100.0
693.22595	3.8
694.13129	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	693.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26225	1.7
57.03446	2.4
59.01379	36.2
59.51381	1.9
60.86736	1.9
61.98827	2.2
64.66070	1.8
67.01875	2.1
69.19795	20.1
71.01389	22.1
72.99310	4.6
73.02953	4.6
81.03468	2.2
83.01381	2.8
84.12369	1.8
85.02943	10.3
87.00873	5.4
89.02448	13.7
93.03419	2.4
95.01389	3.6
96.96008	6.0
97.02960	2.7
98.20589	3.4
98.76189	1.8
99.00861	3.5
101.02451	12.0
107.01397	13.3
111.00900	5.0
113.02452	15.0
115.03632	1.9
115.62688	1.7
119.03520	5.6
123.00873	17.3
124.01707	3.8
125.02454	75.4
126.02799	5.5
127.00380	2.2
136.01668	2.6
136.98866	2.2
137.02444	3.8
139.00372	8.4
140.01161	5.7
141.01901	2.4
151.00339	10.9
151.03976	5.4
163.11310	4.2
164.11650	3.7
165.05608	2.5
166.99861	3.4
168.00641	11.8
169.01419	75.2
170.01758	6.0
183.02908	2.2
209.04483	3.4
209.11798	3.9
211.02510	6.8
227.05611	7.6
237.04120	1.8
241.05092	2.3
252.12761	2.7
253.09792	2.3
255.06645	3.1
256.07422	4.5
265.26236	1.9
267.07669	4.1
268.12213	2.7
270.09039	2.4
271.04715	2.3
271.09845	4.6
281.09125	7.6
295.10767	9.5
296.11688	7.0
299.10303	2.2
313.05612	3.4
313.11807	2.8
316.02298	2.9
319.06335	1.9
327.13647	2.1
346.27805	2.0
365.11392	2.1
371.09787	5.8
373.13394	5.2
389.05804	3.9
389.10870	73.5
389.18069	3.8
390.11136	4.4
479.08426	2.2
511.19485	4.7
513.19458	2.6
531.21332	10.3
541.11816	27.9
541.19177	11.0
542.12006	4.8
633.25543	8.8
643.24072	2.9
649.23334	2.6
675.26746	26.9
676.26868	2.2
692.21997	2.4
693.12140	100.0
694.13080	22.9
694.23004	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	691.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01923	0.5
55.01866	0.6
57.03450	1.0
58.00606	0.7
59.01379	17.2
61.98827	13.1
69.03454	0.7
71.01382	14.2
72.99285	0.6
73.02941	2.1
78.24383	0.5
78.95891	0.7
81.03474	0.8
83.01374	1.7
83.62113	0.5
85.02961	2.9
87.00859	2.5
89.02443	11.0
94.84925	0.5
95.01391	1.0
97.02987	1.2
97.93352	0.6
99.00856	0.7
101.01804	0.6
101.02449	11.1
113.02449	5.7
119.03510	3.3
124.14675	0.6
125.02404	3.3
128.52678	0.5
131.03456	0.6
143.03485	1.6
153.94063	0.5
161.04520	1.9
163.31403	0.5
171.10220	1.8
179.05609	2.8
195.13875	7.6
196.14557	0.7
205.12367	0.6
221.06590	1.1
223.13353	5.1
224.13860	0.6
228.13658	0.6
235.08147	2.5
245.06503	0.7
253.09151	1.0
256.13190	1.0
263.07855	0.7
275.20120	5.7
287.07654	1.0
293.21207	100.0
294.21512	9.9
305.08862	0.8
379.12460	0.6
397.13495	23.9
398.13736	2.2
415.14557	26.3
416.14923	2.4
654.27258	0.7
691.35760	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71225	0.5
55.01862	0.9
57.03434	0.6
59.01379	18.4
61.98827	11.6
67.59557	0.5
68.76531	0.5
69.03445	1.1
70.30909	1.8
70.95712	0.5
71.01381	14.5
72.99303	1.1
73.02937	2.1
81.03455	0.9
83.01398	0.8
83.10090	0.5
83.91564	0.5
85.02974	2.9
87.00882	2.4
89.02445	13.0
95.01360	0.8
97.02952	1.7
98.20631	0.8
99.00879	0.9
101.02445	12.5
111.04489	0.8
113.02446	5.1
113.09763	0.7
119.03513	3.6
121.10236	1.1
125.02425	4.3
143.03462	2.1
145.01505	0.6
161.04552	2.6
171.10291	2.7
179.05612	3.1
179.14435	0.7
195.13899	7.3
196.14568	0.9
199.50716	0.6
205.12294	0.8
221.06715	0.8
223.13361	4.6
224.13669	0.5
228.13698	0.8
235.08224	4.2
235.17105	1.4
253.09259	1.8
256.13315	1.1
275.20181	6.9
287.07611	0.8
293.21222	100.0
294.21548	10.1
305.08728	1.3
323.10043	0.6
345.45197	0.7
397.13498	25.0
398.13812	2.0
415.14548	24.9
416.14789	1.7
691.36719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25099	0.8
59.01374	6.5
61.98823	3.4
65.00333	0.9
67.01891	1.1
68.69693	0.9
69.03449	1.7
69.22626	3.2
69.23056	4.3
71.01375	5.7
72.99281	1.3
73.02924	1.7
75.00861	0.8
79.01890	1.2
80.99372	0.9
83.01360	2.4
85.02932	3.4
87.00861	2.9
88.98730	0.7
89.02457	1.5
94.02988	1.5
95.01385	3.7
96.96014	9.0
97.02931	1.9
99.00867	1.1
99.04529	1.2
101.02428	2.5
107.01395	10.2
111.00866	3.7
113.02433	3.4
116.26490	0.8
116.92833	1.9
120.08142	0.9
121.02922	1.3
122.06117	2.8
123.00898	13.2
124.01636	3.0
125.02450	48.5
126.02752	1.4
127.00344	1.4
136.98820	1.9
137.02425	1.0
139.00325	5.4
140.01218	5.8
141.01944	1.3
151.00365	9.3
151.03981	1.3
154.99800	0.9
161.02423	1.4
166.05115	0.9
168.00652	6.5
169.01431	56.2
170.01743	2.7
175.03983	0.8
177.01938	1.5
181.01375	1.3
187.98422	0.8
209.11819	4.2
211.02480	4.2
227.12869	0.9
241.03317	0.8
246.60741	1.0
271.04617	5.5
279.11514	1.3
291.11459	1.1
313.05606	2.2
316.01974	0.9
331.06711	1.2
371.24274	1.0
375.51486	0.9
403.22910	1.1
430.23657	0.9
483.07687	1.1
521.20026	1.2
539.14734	1.7
539.21362	31.4
540.21924	4.3
566.17712	2.1
581.71893	0.9
593.44513	0.9
599.21283	1.1
631.24371	2.3
659.22626	1.2
691.22217	100.0
692.22583	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	691.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52698	0.9
57.03440	1.1
59.01384	7.2
61.98835	1.6
70.97049	2.1
71.01006	1.1
71.01373	5.6
72.99293	1.9
73.02964	2.0
79.01862	1.3
83.01369	2.2
85.02949	4.1
95.01375	3.3
96.96001	2.1
97.02944	1.9
99.00860	1.1
101.02435	2.3
107.01397	10.1
110.26101	1.0
111.00885	5.0
113.02423	4.9
113.99533	1.1
119.04983	1.1
122.27093	1.0
123.00887	14.1
124.01637	2.4
125.02455	45.9
127.00332	1.7
129.01929	1.1
136.98805	2.0
137.02451	1.7
138.99431	1.0
139.00343	5.8
140.01117	3.7
148.09587	1.0
151.00385	10.1
154.99904	1.5
161.02452	2.9
163.03897	1.0
167.03528	1.2
168.00641	7.4
169.01424	52.4
170.01826	2.3
177.01866	1.8
178.99841	1.9
183.13911	3.1
211.02295	1.3
212.68385	1.1
221.15453	3.7
227.12930	6.4
237.04164	1.4
267.07153	1.3
271.04620	2.0
301.03467	3.4
313.05637	2.4
331.08212	1.0
371.24515	2.3
389.18124	1.3
511.21609	1.1
529.22614	3.0
539.13470	1.8
539.21350	29.8
540.21655	3.8
691.22375	100.0
692.22632	16.2
692.32690	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	691.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32272	1.2
54.43038	1.3
54.99768	1.4
57.03471	1.4
58.54331	1.5
59.01382	16.5
63.16655	1.3
65.00306	1.8
67.01888	4.6
68.99791	1.5
69.03440	2.6
70.46555	5.0
71.01382	9.1
73.02955	3.1
75.00858	2.0
79.01894	2.6
83.01375	2.3
85.02946	6.4
87.00862	2.3
89.02447	4.4
93.03466	2.5
95.01414	6.6
96.03945	1.3
96.96004	8.1
97.02949	3.0
99.00880	1.9
101.02425	5.0
107.01403	12.7
107.37432	1.5
108.02144	1.5
109.02912	1.6
110.00127	1.4
111.00877	9.4
113.02424	4.3
113.71519	1.4
121.02950	1.9
123.00887	30.2
123.04516	2.2
124.01639	5.5
125.02455	74.4
126.02777	3.3
127.00342	2.7
133.03058	1.4
133.72972	1.4
136.87624	1.3
136.98831	6.1
137.02412	4.1
139.00368	12.4
139.03876	1.8
140.01176	13.3
141.01897	3.4
149.02446	2.3
150.03249	8.2
151.00391	9.8
151.03960	2.5
153.01831	1.8
163.11266	5.3
165.01834	2.7
165.05591	6.6
166.99919	7.1
167.03488	4.3
168.00632	20.2
169.01428	100.0
170.01787	4.9
177.01955	2.7
177.04021	3.0
181.01447	1.7
183.03011	6.4
192.04318	2.0
193.01418	2.5
207.02965	1.5
210.01782	1.5
211.02469	23.1
225.03961	3.6
241.03384	2.2
243.02528	1.4
249.06053	1.6
271.04553	15.4
272.04883	1.4
283.61639	1.4
297.06226	1.6
313.05661	3.4
329.04980	2.0
331.06772	15.4
387.16348	6.6
423.05682	4.1
473.86237	1.7
483.07755	10.5
491.19324	2.3
494.14371	21.9
495.14740	4.2
509.16336	1.8
521.14557	1.5
539.20911	9.7
549.16132	2.3
643.20337	5.9
644.19983	1.7
660.50787	1.5
673.21106	11.2
674.21686	2.5
691.23303	83.3
692.24115	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	691.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01117	2.2
59.01377	34.4
62.61265	1.7
62.87928	1.7
69.03419	2.6
71.01377	14.2
71.52647	1.9
72.99306	1.9
73.02928	2.1
81.13208	1.7
85.02928	5.2
87.00854	2.8
89.02448	8.4
95.01384	4.2
96.96018	10.5
101.02435	9.5
106.38187	1.5
106.80358	1.6
107.01378	13.4
111.00919	8.3
113.02426	7.2
119.03501	2.1
120.02241	1.8
123.00887	23.1
124.01649	3.4
125.02446	83.3
126.02814	2.0
127.00320	3.2
136.98732	4.5
137.02391	2.2
139.00346	10.6
140.01103	6.7
141.01884	2.4
150.03188	4.5
151.00330	8.0
163.03955	2.5
163.11285	30.8
165.01779	2.6
166.99770	4.0
167.03488	2.4
168.00667	18.4
169.01419	100.0
170.01761	3.0
183.02939	7.0
193.01366	2.7
211.02510	14.1
271.04532	10.1
294.10522	1.9
313.05627	4.4
331.06622	4.3
387.16635	26.5
388.16534	2.1
479.15552	2.9
483.07611	3.3
494.14371	9.9
507.11105	3.8
539.17493	54.9
540.18048	6.3
549.15997	3.1
600.53864	1.9
629.11548	4.0
643.20056	2.6
673.21545	8.3
691.19617	98.2
692.20209	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	690.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63568	0.4
61.98829	100.0
71.01375	0.7
71.55129	0.7
78.95916	1.8
82.68291	0.4
99.73988	0.4
113.02485	0.5
125.02468	1.6
136.66150	0.5
152.92232	0.4
169.01431	1.5
210.22424	0.4
245.69479	0.4
401.22443	0.4
527.33539	0.5
690.35309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.2
58.00573	0.2
59.01099	0.2
59.01380	2.7
59.78489	0.1
61.71711	0.1
61.98831	100.0
63.99268	0.2
69.03440	0.2
71.01392	2.1
72.99296	0.3
73.02943	0.5
81.03415	0.2
83.01387	0.2
85.02963	0.5
87.00893	0.4
89.02446	1.9
97.02950	0.3
99.00860	0.2
99.04549	0.2
101.02457	1.9
109.80644	0.1
113.02449	0.9
119.03513	0.6
121.10223	1.0
122.42082	0.2
125.02442	1.5
137.02449	0.2
143.03476	0.3
161.04594	0.3
167.03461	0.2
169.01445	0.7
171.10269	2.5
171.91963	0.1
177.01965	0.2
179.05618	0.5
183.13982	0.1
195.13991	0.2
201.11533	0.2
204.21960	0.2
209.11865	0.3
210.12148	0.2
211.13432	0.1
221.06683	0.2
235.08246	0.7
253.09558	0.3
275.20157	2.6
292.20245	0.3
293.21228	6.3
305.08942	0.2
326.27991	0.2
391.19022	0.1
397.13522	5.5
415.14581	3.3
491.30746	0.2
613.84961	0.1
696.06030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	18.2
66.88110	0.7
69.94738	3.2
70.32532	0.6
73.02926	0.9
78.95899	3.2
81.07526	0.6
84.57294	0.6
88.98804	1.7
125.02443	0.9
152.99585	2.1
169.01457	0.7
188.14325	0.6
209.11780	1.6
221.11972	0.6
438.13290	0.8
452.14767	2.0
469.11566	1.0
481.15018	6.0
482.15091	1.2
484.14218	0.8
493.15109	1.2
495.16687	11.3
496.17029	2.7
507.16077	1.1
508.17392	1.2
512.13635	0.9
518.15576	0.8
533.18494	0.6
535.16125	0.8
536.16968	2.8
539.15576	0.7
540.16351	3.2
551.19342	26.6
552.19598	6.8
553.17322	0.9
554.18439	1.8
572.15411	3.1
586.17230	1.9
595.18408	3.5
596.18256	0.8
627.20929	100.0
628.21210	23.1
630.21436	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	689.283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.8
59.01379	16.9
61.80846	1.6
61.98829	17.9
66.23328	1.7
69.03455	2.5
69.32141	9.4
69.93450	1.5
71.01377	17.4
72.99274	1.9
73.02951	3.7
75.00871	42.7
79.01946	2.0
81.03455	1.6
83.05009	1.6
85.02942	5.2
87.00845	1.6
88.98812	1.6
89.02402	3.4
95.01379	2.5
96.96017	3.2
97.02986	1.9
99.00871	3.9
101.02431	5.3
107.01390	8.1
111.00879	3.5
113.02448	4.2
121.02965	3.1
122.06136	14.2
123.00847	3.1
124.01667	3.0
125.01519	3.4
125.02448	59.5
125.06094	1.7
126.02776	2.3
129.01912	7.7
134.06123	4.7
137.02443	2.3
139.00371	2.0
139.04021	2.1
147.03004	2.7
151.00381	1.7
161.02415	4.6
165.04044	100.0
166.04379	2.6
167.03502	2.2
168.00571	1.6
169.01427	79.4
170.01808	2.8
171.10329	7.2
174.05577	2.2
177.01910	4.1
179.03493	1.8
183.03006	4.1
188.07185	2.4
201.11351	2.8
207.10214	3.3
209.11855	19.9
213.10349	5.1
225.11476	7.3
227.12869	3.3
237.10358	1.8
239.11961	8.1
241.13446	4.0
251.11984	2.7
253.09189	2.2
258.36478	1.7
260.42749	1.6
264.09082	3.5
265.09763	2.4
267.11292	4.4
271.02466	2.4
277.09894	2.2
278.10739	1.8
279.08014	1.8
279.11276	3.7
283.11050	1.6
285.12381	13.1
291.11316	1.9
292.08502	5.7
293.09326	3.2
295.10706	1.7
302.74625	1.6
307.10794	15.4
308.11493	4.4
313.05344	1.8
316.02188	3.1
317.03073	6.2
350.09018	5.8
351.09860	13.2
352.10107	1.7
365.11627	3.7
381.12036	2.5
398.15088	3.7
412.16443	2.9
413.17355	2.3
423.12756	1.8
428.15958	2.2
430.17511	3.5
444.19159	5.1
456.15500	2.2
474.16602	8.2
488.18475	10.8
489.18887	1.6
493.22476	2.0
506.19312	3.7
520.20941	20.0
521.20758	3.3
535.23517	13.1
536.23749	4.1
538.22302	3.7
548.91309	1.5
553.24738	3.3
566.21674	2.6
567.26044	9.8
579.22662	10.1
611.25153	29.3
612.25568	4.1
613.22363	2.0
629.26031	4.1
643.27570	10.4
644.28253	3.2
645.36316	2.2
653.32526	1.8
657.23169	2.6
659.21472	5.7
689.21991	12.1
689.33734	2.7
690.22510	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	689.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.8
57.03424	2.9
59.01382	15.5
61.98832	23.4
64.25002	1.5
67.01868	2.1
69.03446	1.3
69.44746	1.3
69.93455	3.4
69.93843	3.0
70.25717	1.2
71.01379	13.3
71.60414	1.3
72.31754	1.5
72.99305	1.8
73.02938	4.2
75.00855	1.6
81.03427	2.3
83.01370	1.8
83.05008	2.2
85.02937	3.9
87.00873	3.9
88.98796	1.3
89.02425	3.3
93.03438	1.9
95.01379	2.9
96.96017	3.7
97.02942	3.3
98.19931	1.7
99.00886	1.3
101.02441	5.6
105.01913	1.7
107.01392	11.7
108.04504	1.6
109.02942	2.1
111.00854	3.7
113.02422	5.9
123.00893	9.8
124.01676	2.7
125.02449	84.9
126.02767	3.4
137.02399	4.7
139.00352	4.9
139.04004	2.0
140.01122	5.4
141.01990	2.2
147.04474	1.6
149.02446	1.6
151.00351	8.5
151.03955	1.8
161.02295	1.5
163.04036	2.0
165.01881	2.9
165.04018	6.2
166.09338	1.3
166.99837	2.0
167.03470	4.0
168.00688	12.3
169.01431	100.0
170.01759	2.9
171.10217	6.4
177.01941	2.5
181.01398	2.6
183.02908	2.2
183.13802	1.7
191.03413	1.8
193.01408	4.7
199.13412	1.8
201.11308	2.8
207.10333	2.3
209.11830	17.7
211.02464	32.3
211.13339	2.1
214.85982	1.4
223.09633	1.7
225.11324	5.3
227.12775	4.6
241.03474	1.6
253.09190	1.5
271.04578	25.2
291.19797	3.2
313.05597	6.2
331.06723	2.4
369.22452	1.4
423.05692	11.5
461.20538	1.5
483.07758	28.3
530.65869	1.5
536.89661	1.5
537.19965	8.2
546.66327	1.7
613.22980	2.6
689.20691	94.6
689.31183	4.6
690.21136	17.3
702.76190	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	687.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.0
59.01370	4.8
60.49744	1.7
61.98829	11.0
70.72459	1.8
71.01401	3.0
78.95892	3.9
90.94714	1.8
98.20747	3.3
119.18401	1.6
122.03815	2.1
123.00893	2.0
124.80939	1.9
125.02443	14.1
135.04509	1.7
136.05321	22.1
137.02420	2.4
137.06023	2.8
149.06055	12.6
161.02373	2.2
165.09248	10.2
167.03519	3.2
169.01469	12.2
171.10220	2.6
177.01970	4.9
205.12262	10.1
207.10353	4.2
209.11893	2.6
305.06375	2.1
447.34467	2.1
465.35858	100.0
466.36111	14.8
522.04846	2.2
578.67346	2.6
594.23486	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	689.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82507	1.7
57.03441	2.3
59.01382	9.0
61.98848	3.2
65.00333	2.7
69.20348	19.6
71.01377	9.8
72.99313	3.3
73.02952	2.6
73.33352	1.9
75.00865	3.8
78.31317	1.8
83.01376	4.1
85.02930	4.7
89.02370	3.0
93.03448	3.3
94.68292	1.8
95.01386	2.1
96.96002	4.4
97.02939	2.5
99.00943	2.2
101.02452	4.1
107.01400	18.6
109.02943	4.6
111.00925	5.2
113.02407	6.2
121.02949	8.0
123.00896	17.7
124.01648	3.5
125.02447	54.4
126.02790	2.5
134.47626	1.9
136.98750	2.6
137.02458	3.7
137.09720	2.5
139.00354	7.8
139.03949	1.8
140.01131	3.9
149.02478	3.3
151.00369	42.9
152.00792	2.8
153.01889	3.1
163.03976	2.6
165.01794	2.2
168.00639	6.5
169.01428	60.7
169.59041	1.9
170.01726	4.7
171.10345	2.4
177.01810	2.8
178.99808	14.5
209.11798	4.9
211.02490	4.6
227.03464	2.0
235.08119	2.2
245.04408	2.7
255.03006	5.9
271.04382	3.0
273.03833	2.5
283.02316	2.5
301.03513	100.0
302.03833	8.3
313.05695	10.3
322.02365	2.0
339.14294	2.9
375.27563	23.0
537.19867	19.9
538.20099	2.9
599.10309	25.8
600.10431	4.3
629.87219	2.1
688.32983	6.2
689.20819	66.6
689.33661	28.2
690.21277	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	687.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.3
58.00578	1.5
59.01379	16.0
61.98828	11.7
65.00333	1.2
67.01881	2.2
68.99831	1.2
69.03444	4.1
71.01386	13.8
72.07442	1.0
72.99294	3.0
73.02945	4.2
75.00834	1.2
78.95947	1.1
81.03481	1.8
83.01385	3.3
85.02951	5.4
87.00872	3.5
88.98824	1.4
89.02467	6.1
93.03460	1.9
95.01392	6.9
96.96002	6.3
97.02940	4.8
97.06567	1.2
99.00907	2.1
101.02451	7.2
107.01392	10.3
109.02954	2.9
111.00880	8.1
111.04522	2.3
113.02439	6.0
116.92877	1.4
119.03505	2.2
121.02926	1.2
122.06085	1.2
123.00887	25.4
124.01675	14.0
125.02447	76.4
126.02756	3.7
127.00385	2.3
134.03627	1.2
136.05334	1.2
136.98792	4.8
137.02437	2.7
137.06041	1.1
137.09729	1.9
138.03110	1.0
139.00385	11.6
139.07671	0.9
140.01175	13.5
141.01982	2.2
149.99570	10.0
151.00371	15.0
151.03979	1.3
151.07613	3.6
153.01894	1.3
154.99867	1.0
161.02397	1.8
162.06781	1.0
165.01820	1.1
165.05490	0.9
166.99834	2.4
167.03502	2.4
168.00642	36.7
169.01422	71.4
170.01750	4.0
171.10298	1.4
177.05630	0.9
181.01480	1.2
185.11792	1.2
193.01353	1.1
196.99402	1.0
200.94154	1.1
201.11296	1.2
211.02481	1.6
240.13376	1.1
271.04611	1.4
313.05615	4.2
317.02814	1.4
355.24817	1.4
357.15494	1.3
373.25827	6.0
452.18231	1.4
525.27008	4.2
535.18213	28.7
535.30914	8.6
536.18927	5.1
536.31049	1.6
628.31372	1.2
687.19269	100.0
687.32227	99.2
688.19672	24.0
688.32544	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33082	1.1
50.90899	1.2
51.23440	1.2
57.03444	2.0
59.01379	13.0
60.45959	1.1
68.99823	1.3
71.01378	10.3
71.56065	1.7
72.99299	3.7
73.02920	2.8
75.00863	9.2
79.95705	4.1
82.14443	1.2
85.02936	13.6
87.00861	5.5
89.02422	3.7
95.01359	4.1
95.95213	1.5
96.96012	100.0
98.85516	1.3
99.00854	5.2
101.02419	1.8
107.01364	2.9
108.02146	1.5
109.02893	1.7
111.00855	1.5
113.01851	1.2
113.02457	14.2
115.00341	1.4
116.92874	2.6
117.01933	1.8
122.03728	1.3
123.00906	2.3
125.02460	14.6
139.04008	1.9
140.01183	1.7
151.00337	5.5
152.01102	1.8
157.01337	1.6
165.05583	1.5
167.03407	4.7
168.00664	2.0
169.01402	13.7
169.05003	1.3
175.02434	1.9
177.02019	1.4
199.13336	5.3
211.02432	1.3
249.06110	9.2
296.86298	1.2
297.24643	1.5
313.05490	2.1
327.25421	8.5
339.25415	2.6
355.24777	1.6
357.26459	39.6
358.26636	3.3
373.25989	1.3
375.27332	1.4
525.26782	4.4
535.31152	2.5
589.31616	1.6
607.24182	1.6
607.33362	33.1
608.33405	5.5
687.29047	96.1
688.29492	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	687.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.4
57.88855	0.8
59.01381	3.3
67.01884	1.7
69.03471	1.1
71.01402	1.2
71.51859	1.4
73.02957	0.9
75.99535	0.8
83.01393	1.0
83.05035	1.8
85.02954	8.6
87.00853	1.4
91.96240	0.8
93.03460	10.0
93.98764	0.8
97.02934	1.2
99.08125	0.9
107.01392	7.4
109.03011	0.9
111.00904	1.9
111.04522	3.4
125.02448	43.5
126.02782	1.7
127.04021	1.9
136.40820	0.9
137.02441	3.1
137.09761	0.9
139.03995	3.9
139.11382	0.9
149.09674	0.9
155.03526	2.2
163.11295	1.4
167.03389	1.1
169.01427	100.0
169.12283	1.6
170.01738	2.5
171.02820	0.7
173.03096	1.5
173.04552	22.8
191.01965	3.3
191.05614	42.9
192.06042	1.8
195.13899	30.3
196.14226	2.3
213.14981	1.9
255.15994	3.1
275.79367	0.8
299.15082	2.7
301.12085	0.9
343.06696	92.8
344.07074	8.0
345.08310	2.2
425.77203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.4
57.88855	0.8
59.01381	3.3
67.01884	1.7
69.03471	1.1
71.01402	1.2
71.51859	1.4
73.02957	0.9
75.99535	0.8
83.01393	1.0
83.05035	1.8
85.02954	8.6
87.00853	1.4
91.96240	0.8
93.03460	10.0
93.98764	0.8
97.02934	1.2
99.08125	0.9
107.01392	7.4
109.03011	0.9
111.00904	1.9
111.04522	3.4
125.02448	43.5
126.02782	1.7
127.04021	1.9
136.40820	0.9
137.02441	3.1
137.09761	0.9
139.03995	3.9
139.11382	0.9
149.09674	0.9
155.03526	2.2
163.11295	1.4
167.03389	1.1
169.01427	100.0
169.12283	1.6
170.01738	2.5
171.02820	0.7
173.03096	1.5
173.04552	22.8
191.01965	3.3
191.05614	42.9
192.06042	1.8
195.13899	30.3
196.14226	2.3
213.14981	1.9
255.15994	3.1
275.79367	0.8
299.15082	2.7
301.12085	0.9
343.06696	92.8
344.07074	8.0
345.08310	2.2
425.77203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66204	0.6
55.01875	1.2
57.03460	1.9
59.01381	7.9
60.56375	0.9
61.98836	6.0
67.01888	1.3
69.03457	1.6
69.44236	6.3
71.01383	6.6
71.58815	0.7
72.99304	2.0
73.02975	1.8
79.01904	1.3
81.03478	1.3
83.01387	3.0
85.02959	3.8
86.00108	0.9
87.00884	2.6
88.98818	0.8
89.02458	2.6
93.03457	1.8
95.01376	4.0
96.96016	4.9
97.02950	2.9
97.06596	0.8
98.19883	1.0
99.00875	1.5
101.02448	2.8
101.40060	0.9
107.01392	10.0
107.05017	0.9
109.02977	1.2
111.00857	5.3
111.04522	2.5
113.02448	3.4
118.84809	0.8
119.05061	1.1
123.00882	17.5
123.04535	1.0
123.30722	0.8
124.01700	5.2
125.02451	53.2
126.02769	3.4
127.00418	2.4
136.05292	1.1
136.98817	3.0
137.02454	2.7
137.09720	2.2
139.00369	10.0
140.01189	9.2
141.01920	1.4
148.05260	0.8
149.99577	1.2
151.00378	12.2
151.03922	0.9
151.07681	1.3
152.64542	0.9
154.99857	1.4
155.03485	1.9
156.03835	0.9
161.02325	1.0
165.01984	1.0
165.04184	1.2
165.05487	1.1
166.99843	1.7
167.03532	1.2
168.00648	13.1
169.01433	56.9
170.01761	6.3
171.01886	1.4
171.10271	1.4
173.04549	2.2
174.04907	1.4
175.02466	1.1
177.01920	1.0
181.01445	1.8
181.05080	1.0
187.76382	0.8
187.79216	0.9
189.31738	0.8
207.10298	1.1
209.11868	1.7
215.12640	0.8
225.11342	0.9
271.04678	0.9
286.97452	0.8
291.90308	0.8
317.03107	1.8
325.05640	1.2
326.06100	1.9
357.26144	1.1
359.27948	4.7
360.28430	4.8
373.25912	3.0
459.05328	1.4
459.55771	1.5
511.33389	0.8
517.32953	0.9
525.27087	1.9
535.18201	28.6
535.30457	5.1
536.18469	3.1
536.31866	1.0
658.61133	0.8
686.34625	7.7
687.19348	100.0
687.32556	43.2
688.19690	20.5
688.32684	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	687.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
59.01370	1.9
61.75534	0.6
67.01884	2.2
69.03487	0.8
69.72748	2.0
71.01401	1.3
81.03447	1.3
82.11684	0.5
83.05051	1.3
84.48585	0.5
85.02953	5.2
85.06615	0.6
87.00869	1.1
88.77193	0.5
93.03455	9.3
97.02950	1.0
98.20600	0.7
99.04552	1.1
107.01392	5.7
109.02998	0.8
111.00896	1.0
111.04540	2.1
123.08138	0.6
125.02443	44.9
126.02787	1.0
127.04015	1.3
136.19530	0.5
137.02483	2.8
139.04016	1.6
149.09729	0.6
155.03555	3.0
169.01421	100.0
169.12395	2.0
170.01740	3.5
173.04536	22.5
189.95670	0.6
191.02008	1.6
191.05603	25.6
192.06036	1.5
195.13887	15.8
196.14218	1.0
213.14822	0.7
242.47554	0.6
255.15990	1.7
264.29535	0.6
299.14993	1.9
328.61157	0.6
337.86404	0.6
343.06677	88.8
344.06961	4.9
345.08273	0.8
379.73724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33276	0.5
54.70090	0.5
55.25769	0.5
61.98832	100.0
71.08061	0.8
71.08413	0.6
78.95885	0.6
103.23021	0.5
125.02493	0.9
152.34286	0.5
169.01437	0.7
247.74400	0.7
262.36188	0.5
316.99048	0.7
586.95581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21902	0.2
57.09856	0.2
57.72181	0.2
58.97359	0.2
59.01383	0.4
61.98830	100.0
63.82931	0.2
71.00777	0.4
71.01414	0.3
78.95911	0.3
103.59164	0.2
116.81867	0.2
123.71944	0.2
151.05618	0.2
152.11694	0.2
169.01453	0.2
171.10295	0.3
184.74930	0.2
209.11832	0.4
255.23520	0.3
279.23315	0.3
626.35645	0.5
629.15240	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01383	6.7
61.98835	4.3
67.01884	1.9
68.67346	0.7
69.03442	1.7
71.01365	4.0
71.55785	0.6
72.99296	1.0
73.02937	1.5
79.01882	0.8
79.12984	0.6
81.03466	1.3
83.01374	0.9
83.05025	3.6
85.02958	2.6
87.00867	2.4
89.02438	1.2
93.03461	12.6
95.01378	2.0
96.96018	3.2
97.02978	1.3
99.00912	0.7
101.02426	1.9
107.01393	8.1
109.02927	1.3
111.00879	1.4
111.03808	1.0
111.04523	11.5
113.02421	1.7
123.00868	4.1
124.01679	3.4
125.02449	74.7
126.02790	2.7
127.00362	1.4
127.04018	0.8
136.05328	1.4
136.98798	1.4
137.02415	5.3
139.00356	2.4
139.03992	0.8
140.01166	2.9
149.05951	0.8
151.00352	1.2
151.07626	0.9
155.03493	16.5
161.02487	1.0
162.06847	0.8
165.09167	0.9
166.99855	0.8
167.03491	1.5
168.00641	5.7
169.01424	100.0
170.01750	3.8
173.04547	18.3
177.01849	0.8
178.07544	0.8
185.11894	1.0
196.13503	0.9
211.02504	1.2
245.04585	1.6
271.04684	1.1
273.88324	0.7
285.04129	1.9
311.25995	1.2
313.23944	4.5
314.24426	0.8
325.05634	11.8
326.06116	0.9
341.27316	1.4
357.26596	1.6
359.28024	62.6
360.28348	6.3
371.24539	1.8
396.43845	0.8
447.09088	1.0
476.66879	0.9
515.32330	10.2
516.33014	1.4
523.25488	1.2
533.33337	4.3
641.36224	0.8
649.24353	0.7
685.34302	93.8
686.34656	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	685.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43448	0.7
57.03455	1.1
59.01381	27.9
61.98577	0.9
61.98827	9.6
67.01863	1.5
68.99790	0.9
69.03439	1.7
69.17390	0.8
71.01061	0.9
71.01383	12.5
71.54550	1.3
71.54904	1.2
72.99289	3.2
73.02951	7.1
75.00863	2.2
79.01884	1.4
79.95750	0.9
81.03432	1.1
83.01382	3.8
83.92866	0.9
85.02954	7.1
87.00870	3.4
88.98792	2.6
89.02444	5.1
90.90496	0.9
95.01372	3.3
96.95982	3.4
97.02918	1.1
97.31669	0.9
99.00858	2.2
101.02432	7.9
107.01381	11.8
108.02150	4.5
109.02934	0.9
111.00871	3.8
113.02462	7.2
116.92850	1.1
119.03507	2.1
119.05028	1.5
121.02878	1.1
122.03692	1.2
123.00887	10.1
123.04509	2.7
124.01649	2.3
124.96430	0.8
125.02449	64.7
125.09721	1.0
126.02743	1.2
127.00330	2.9
129.01901	1.4
136.05261	2.2
136.98755	2.6
137.02396	2.5
139.00386	5.9
139.04004	1.5
140.01175	6.3
141.01820	0.9
143.03525	0.9
149.06033	1.0
151.00366	8.2
152.01138	7.3
152.03088	1.1
153.01874	0.9
161.04533	1.9
163.07642	0.9
165.01927	0.9
165.09196	1.9
166.99884	1.0
167.03497	15.1
168.00629	11.9
169.01418	76.3
170.01758	2.5
171.10237	3.2
177.01930	1.7
177.03961	1.6
179.03387	0.9
179.05544	1.7
201.11436	0.9
211.02446	12.1
214.69258	0.9
241.03549	2.0
271.02167	1.0
271.04605	15.7
272.04877	1.0
313.05658	37.8
314.06247	1.6
341.23227	2.7
347.80536	0.9
353.23331	2.9
355.24823	3.4
371.24319	10.1
372.24176	1.0
373.25681	2.6
481.35153	2.9
523.25555	13.6
524.25793	1.8
533.29730	19.8
534.29834	3.6
601.32172	1.4
685.30603	100.0
686.31085	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	685.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97214	2.4
57.03442	27.7
59.01377	26.5
70.59065	2.3
70.59403	6.5
83.05029	3.4
85.02953	8.3
88.47664	2.3
99.04510	4.0
109.06601	19.5
111.04478	5.7
123.08158	3.5
125.02449	33.6
126.02768	5.0
135.08159	17.6
137.09697	14.3
138.06830	4.6
149.09785	4.1
153.09215	6.8
156.91913	2.1
161.31482	2.3
163.11255	8.2
167.03474	5.2
167.10756	11.5
169.01414	19.7
170.01692	5.9
177.01877	8.3
177.09201	27.0
191.10747	8.3
191.12387	2.9
193.12318	100.0
194.12666	10.4
195.13902	45.6
196.14085	3.6
211.13400	40.5
212.13754	5.6
213.76572	2.5
217.12331	6.1
225.86137	2.3
235.13365	25.5
236.13759	2.6
239.13158	2.9
241.01570	2.6
243.02876	2.6
253.14445	23.9
254.14803	2.8
255.12543	2.9
255.16075	4.5
297.13370	5.7
301.20721	2.7
303.05350	3.2
305.06726	3.1
353.33478	2.5
452.05679	2.7
706.87878	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	685.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.8
57.03445	8.6
59.01383	18.7
60.92338	2.0
66.48128	1.6
67.01899	4.2
68.99803	2.2
69.03460	6.7
71.01380	24.4
71.51472	3.9
71.51844	2.2
72.99313	8.1
73.02959	13.1
81.03440	2.8
83.01385	11.7
83.05029	2.4
85.02951	88.8
87.00878	100.0
89.02405	3.4
93.03468	2.4
95.01390	32.2
97.02959	28.7
99.00880	3.4
99.04565	3.8
101.02427	3.1
103.04020	7.7
109.02969	4.9
111.00877	28.1
111.04514	2.4
112.01673	2.8
113.02452	62.2
115.00377	15.2
115.04002	3.9
125.02461	10.6
127.00317	2.1
127.04022	8.7
129.01970	5.5
139.00380	39.2
145.05026	1.8
147.19586	1.8
150.72783	1.7
152.10803	1.8
155.03490	7.8
155.16928	2.0
157.01433	29.0
163.06152	3.2
167.03603	2.9
169.01398	7.6
173.04538	7.0
175.02481	54.9
191.02174	2.5
191.05589	24.8
195.13956	3.7
199.02486	5.2
217.03520	28.9
241.07191	2.6
259.04651	2.7
266.42096	2.0
285.06174	5.7
303.07275	24.5
321.08237	10.6
343.02829	2.3
343.06659	6.4
345.08255	17.4
363.09271	3.5
479.10468	4.8
521.11450	40.3
522.11938	3.4
539.12695	4.8
581.13330	20.1
582.14038	2.4
625.15662	3.4
667.17255	23.9
668.17468	2.8
685.18127	23.1
686.17810	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	685.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.5
57.03444	9.2
59.01374	24.0
67.01875	6.2
69.03455	9.8
70.18699	7.1
71.01379	20.3
72.99283	4.9
73.02941	16.9
81.03449	3.9
83.01383	12.8
83.04987	2.8
85.02950	94.7
86.03283	2.5
87.00873	100.0
89.02455	2.4
95.01389	30.7
97.02953	30.7
98.25746	1.6
99.00884	3.1
99.04505	2.3
101.02432	3.2
103.04004	10.7
109.02940	5.4
111.00890	27.6
113.02442	48.9
115.00362	13.9
125.02442	8.1
127.04002	9.0
129.01894	4.3
137.02493	2.0
139.00380	32.3
145.05014	2.8
155.03462	6.4
157.01419	30.9
158.01811	2.2
163.06096	2.4
169.01421	5.4
173.04494	5.9
175.02473	61.2
191.01985	2.2
191.05638	14.0
195.13881	2.7
199.02490	6.0
213.14944	2.2
217.01509	3.4
217.03505	36.9
217.05582	2.1
252.64146	1.8
259.04550	4.8
259.08109	1.9
285.06198	2.8
286.06537	1.8
303.07196	27.8
304.07559	2.8
321.08224	11.5
331.06635	2.0
343.06659	4.2
345.08319	18.7
363.09122	9.2
479.10217	4.2
505.88959	2.0
521.11469	33.3
539.12817	3.5
581.13519	17.8
582.13641	3.7
625.16077	5.3
667.17175	19.1
668.18121	3.6
685.18225	31.0
686.18610	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	685.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.1
59.01380	13.3
61.98817	5.5
64.03442	1.7
69.03438	2.3
69.19379	16.5
69.19765	3.5
71.01402	12.4
73.02937	3.2
75.00867	4.8
78.95853	1.8
81.03448	1.8
83.01367	2.8
85.02949	4.9
87.00880	3.2
88.98790	2.0
89.02428	4.5
95.01369	2.2
96.96030	11.8
97.02956	1.7
99.00892	2.0
101.02431	7.3
107.01387	8.5
108.02148	3.8
109.02962	4.1
113.02428	6.2
116.92868	1.8
119.05016	4.9
121.02895	1.6
123.00852	10.3
123.04467	1.9
124.01667	2.1
125.02448	73.6
126.02760	2.4
129.01918	3.1
137.02428	3.4
139.00404	3.0
140.01115	3.0
141.01906	2.3
145.02974	3.6
149.02432	2.1
151.00349	5.1
152.01108	4.8
163.03983	5.4
165.01912	1.7
165.09106	1.7
167.03433	2.1
168.00623	7.8
169.01428	100.0
170.01773	3.1
171.22678	2.0
177.01929	5.0
177.04083	2.6
189.01932	1.8
211.02443	4.3
221.08221	2.0
236.93814	1.8
265.07132	6.6
313.05679	3.1
316.01965	2.0
329.05099	4.3
359.11292	3.8
373.12891	3.5
404.14987	2.1
419.16940	10.7
495.12631	2.8
497.16638	5.4
499.18634	2.3
537.32129	2.9
649.17706	79.2
649.28613	3.8
650.17987	14.1
684.37561	3.1
685.20032	2.2
685.30646	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.3
61.98827	1.2
71.01383	4.9
71.52296	0.8
73.02963	0.9
78.95898	1.5
83.01406	0.5
85.02962	0.7
87.00865	2.0
89.02429	2.8
95.01376	1.1
101.02447	3.8
113.02443	2.1
119.03515	0.9
125.02452	1.6
125.09685	1.0
127.11298	2.5
161.04549	0.9
169.01392	1.4
171.10266	100.0
172.10609	5.2
177.01953	0.6
179.05513	0.9
195.13889	6.0
223.13380	4.0
228.13605	0.6
235.08301	3.0
235.46751	0.6
253.09279	13.2
253.11839	0.9
254.09561	0.6
255.23338	1.7
275.20163	6.9
277.21631	3.8
293.21207	53.6
294.21509	5.5
325.25272	0.7
343.26373	0.6
359.25699	0.7
387.25250	4.1
405.26434	3.3
407.19037	1.4
449.70154	0.6
584.21283	0.6
623.34253	12.3
624.34375	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	684.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30134	2.3
57.05302	2.5
61.22911	1.9
61.98829	100.0
62.75726	2.1
63.22285	1.8
64.83868	1.9
68.08741	1.8
71.54255	3.5
255.23198	5.2
258.31100	2.1
279.23254	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	683.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.1
57.03441	2.4
59.01381	44.4
61.98829	6.5
66.95529	0.8
69.03455	1.2
71.01380	14.0
71.04997	1.7
72.99287	1.0
73.02959	4.0
81.03465	1.3
83.01399	2.9
83.05032	1.0
85.02932	4.3
87.00868	6.1
89.02442	6.1
95.01392	1.3
97.02962	0.9
98.19844	1.4
99.20013	0.9
101.02447	9.6
109.06590	2.1
111.08099	0.9
113.02459	6.7
119.03580	1.9
123.04511	1.9
125.02441	2.9
135.08177	1.8
137.09732	2.4
143.03525	1.0
145.05074	2.7
161.04529	3.0
167.03513	6.6
169.01479	1.0
171.10269	67.7
172.10625	3.3
179.05612	1.8
191.10616	0.9
195.13902	2.5
203.14566	1.1
223.13409	2.1
229.31326	0.9
231.17535	1.4
235.08150	9.0
239.16718	1.5
239.90511	1.3
241.18161	1.2
253.09233	7.7
265.18179	1.0
267.19580	1.2
275.16974	1.0
275.20184	5.0
293.21222	31.7
294.21509	3.0
315.27002	2.2
315.85532	0.9
325.25403	4.9
329.12411	0.9
341.24622	1.9
343.26413	4.3
344.26852	1.2
351.23239	2.8
359.25894	6.8
360.26938	1.0
361.27216	1.6
369.24356	10.4
376.05859	0.9
377.26886	1.7
387.25406	34.8
388.25858	5.1
405.26447	25.0
406.26724	3.1
419.28036	0.9
450.89877	1.0
479.30341	1.2
529.67993	1.1
595.34796	1.6
605.33777	1.1
623.34320	100.0
624.34552	16.2
683.33118	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91523	0.7
59.01383	6.5
60.71170	0.8
61.98576	0.7
61.98835	9.7
65.64364	0.7
67.01869	2.0
69.03448	2.1
71.01373	3.6
71.01922	1.6
73.02945	1.2
75.00858	1.1
75.38710	0.9
75.81313	0.9
81.03455	1.7
83.05014	3.9
85.02969	3.0
87.00869	1.9
88.98764	1.0
89.02460	1.0
93.03458	15.8
96.96011	1.4
97.02934	1.5
106.92096	0.9
107.01389	12.9
109.02960	1.3
111.00859	1.6
111.04510	14.1
113.02458	1.5
119.05014	2.4
120.39412	0.9
123.00896	2.6
123.04539	1.0
124.01601	2.1
125.02447	77.2
126.02761	1.7
127.03996	1.7
136.05263	1.2
137.02428	5.2
139.00444	1.1
140.01129	1.0
140.80844	0.8
145.02928	1.2
149.51006	0.8
151.03920	0.9
155.03491	17.3
161.02443	3.1
168.00545	1.4
169.01425	100.0
170.01729	2.6
173.03101	1.5
173.04546	22.2
174.03392	0.8
174.05070	0.9
177.01924	1.2
185.11855	1.2
189.87283	0.9
199.13374	2.9
201.05693	1.1
245.04485	1.4
269.13889	1.0
278.55060	0.9
297.24234	1.5
307.04642	1.0
309.23996	1.1
325.05618	15.5
327.22070	1.2
327.25504	11.7
328.25754	1.3
339.25308	2.2
357.26456	54.8
358.26947	4.3
365.62265	1.0
479.33575	1.8
513.30573	13.3
514.31787	1.8
531.31750	6.5
532.32458	1.2
622.72705	1.0
683.32788	93.2
684.33234	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82882	0.8
57.03449	14.7
59.01379	10.9
69.03462	2.4
69.75356	4.5
71.01376	3.4
75.00868	1.0
81.03477	1.6
83.01379	2.0
83.79109	0.8
85.02954	3.9
93.03452	1.9
95.01420	1.6
96.96011	7.1
97.02958	2.0
104.33694	0.8
107.01385	1.3
109.02978	2.8
109.06591	6.1
111.00886	1.2
111.04511	3.1
113.02430	2.3
121.02962	1.2
121.06625	1.2
123.00909	3.4
123.04544	5.3
124.01673	2.9
125.02454	100.0
130.08731	2.6
133.02962	1.1
135.08203	8.0
137.02440	4.6
137.09738	5.6
138.03261	1.1
138.06856	1.0
139.04013	3.2
146.34779	0.9
149.02461	3.3
149.09784	2.3
151.00337	1.8
151.04025	3.7
153.05615	6.0
153.09196	2.7
161.02460	3.8
163.11284	3.6
164.01166	1.4
165.01930	3.0
165.05551	1.1
166.02620	1.6
167.03510	14.1
167.10805	3.3
168.00681	1.1
169.01434	82.7
170.01727	1.6
172.09851	1.6
175.00380	1.5
175.03978	5.1
177.01949	28.9
177.09213	9.3
191.10791	3.0
193.01463	3.6
193.12340	36.5
194.12668	2.5
199.04002	1.8
211.13387	12.6
217.01527	1.0
217.05075	3.7
217.12329	2.9
219.02962	2.8
223.04350	1.0
225.07904	0.9
235.13359	9.5
243.02939	12.5
249.05951	1.6
253.14413	7.9
255.02916	2.6
255.12311	1.7
257.04562	1.2
261.03946	6.4
267.07294	1.3
269.04575	2.4
283.02466	1.0
285.04019	3.4
287.05533	2.5
291.05176	0.9
293.04694	1.0
297.13437	3.3
301.03543	1.7
303.05106	6.2
303.30719	0.9
305.06729	6.3
313.05682	3.6
319.04559	2.3
353.55298	0.9
422.06564	1.1
423.07059	3.1
427.06674	1.0
439.06613	1.5
457.07635	1.1
467.11942	16.7
481.08322	1.1
524.99506	0.9
607.10803	0.9
622.17267	1.0
651.17017	1.0
683.19348	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	682.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
63.07859	1.2
71.00553	1.7
78.95907	3.7
99.13207	1.3
110.98532	2.6
167.01137	1.3
198.22678	1.3
242.40034	1.3
255.23373	12.8
273.47968	1.3
277.21729	23.1
389.46252	1.4
575.80133	1.3
682.42468	2.0
683.46912	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	682.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87321	1.6
56.23722	1.8
59.01379	15.0
61.98831	34.7
66.43717	1.8
68.85832	1.6
69.29031	4.4
69.29459	12.5
71.01381	9.1
72.99320	2.1
75.00871	4.4
83.01395	3.9
83.05067	2.5
85.02968	6.2
87.00867	2.8
88.98829	2.1
89.02444	1.7
93.03464	9.6
95.01380	3.7
96.96013	4.9
97.02956	3.0
98.19846	3.1
99.00882	2.0
101.02468	2.0
107.01401	14.5
109.02934	3.9
111.00917	4.8
111.04475	4.1
113.02451	5.5
119.05088	3.6
123.00903	8.9
124.01600	2.3
125.02449	74.8
126.02820	5.4
129.01880	1.7
135.04492	2.6
136.05272	5.1
136.98883	2.1
137.02443	11.0
139.00327	3.8
140.01129	2.6
141.01988	2.2
151.00363	10.9
153.12859	3.4
155.03459	10.1
159.02942	2.3
161.02460	3.7
163.04048	2.8
165.01938	3.1
165.09172	3.9
167.03511	2.6
168.00618	4.0
169.01427	100.0
170.01804	5.1
173.04536	14.2
177.01973	2.8
177.04057	4.2
178.99867	6.1
179.03432	2.2
191.05574	2.0
192.19067	1.7
211.02510	3.4
217.81746	1.6
309.80585	1.8
311.04233	2.5
313.05551	2.5
316.02292	3.5
317.03043	23.1
325.05655	6.0
329.05096	5.3
343.06421	2.4
344.07025	2.8
355.24857	3.3
356.25439	2.8
357.26428	4.3
373.25699	3.7
427.32797	2.0
479.34134	3.7
481.06213	2.4
481.34915	4.6
482.35629	4.3
511.29123	2.7
529.30121	2.9
530.30768	2.3
619.20331	68.3
620.20679	8.4
681.31488	8.4
682.31378	20.2
683.16187	5.4
683.32123	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	682.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	7.1
59.01377	17.0
61.98830	71.8
66.35131	3.5
69.05491	3.0
71.01393	6.2
72.99270	4.0
75.00890	4.2
77.15252	3.2
81.03423	3.6
85.02944	5.6
96.95954	5.0
97.02846	4.2
102.83030	3.9
107.01377	5.7
109.08281	3.7
111.04464	4.1
113.02385	4.5
123.00854	8.2
125.02443	97.3
126.02715	4.1
133.86815	3.2
137.02420	4.1
142.32095	3.6
149.06075	3.5
151.04030	4.0
161.02412	12.9
167.03444	7.6
169.01416	100.0
170.01677	5.8
316.02249	10.9
329.04950	8.3
357.26355	14.7
358.26944	7.6
453.32541	3.6
467.19104	9.5
477.32190	5.4
619.20282	76.8
620.20398	14.7
682.35950	4.4
683.30896	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	681.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.3
59.01375	5.7
61.98833	7.0
65.03972	0.5
67.01884	1.7
69.03451	2.9
70.91577	0.4
71.01386	3.4
71.10496	0.6
71.10860	1.4
73.02962	1.6
75.00872	1.3
78.95905	0.7
81.03469	2.0
83.01382	0.8
83.05025	4.7
85.02966	2.5
87.00862	2.9
89.02436	0.6
93.03456	18.7
95.01389	1.2
96.96014	2.1
96.96985	0.8
97.02949	1.8
97.06603	1.9
99.00881	0.6
99.04520	0.6
101.02461	1.1
107.01387	12.3
109.02969	1.4
111.00916	1.2
111.04521	16.3
113.02464	1.3
119.05021	1.4
121.02999	0.5
123.00907	2.3
123.25477	0.5
124.01659	1.0
125.02448	79.4
126.02799	2.8
127.04001	1.9
129.01947	0.9
136.05296	1.1
137.02448	6.0
139.00397	1.3
139.11301	1.4
140.01106	0.9
145.02972	1.5
151.00400	1.4
151.04042	0.7
154.13142	0.6
155.03500	21.3
156.03864	1.2
163.03999	1.7
167.03497	0.7
168.00653	1.2
169.01427	100.0
170.01775	3.6
173.04544	24.8
177.01903	0.8
191.05611	0.8
201.05539	0.9
210.26115	0.5
219.06700	0.8
225.08710	0.9
227.16597	2.1
245.04607	1.4
295.22794	2.0
307.04575	1.6
307.22723	1.0
325.05655	18.9
325.23846	15.1
326.06006	1.3
326.24069	1.6
337.23828	1.6
355.24872	64.0
356.25250	7.2
481.35297	2.2
511.21765	1.0
511.29108	17.0
512.29614	3.0
529.30145	8.8
530.30353	1.6
681.31152	88.1
682.31439	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	681.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89509	1.6
57.03437	3.1
59.01378	12.0
59.68686	1.5
69.78286	3.5
69.78701	6.3
71.01390	8.1
75.00880	2.9
82.03027	1.6
85.02966	5.9
87.00856	2.3
94.02988	21.4
96.96014	6.2
98.20045	2.4
99.00900	2.1
108.04557	4.2
110.06126	5.7
113.02448	4.4
122.06097	7.4
123.00933	2.0
125.02456	14.3
134.06139	4.5
136.07678	4.9
137.99553	1.6
138.05605	6.9
146.06071	1.8
151.00336	2.3
152.07159	4.4
161.04742	2.3
162.05653	2.2
167.03473	1.9
169.01361	10.3
177.01936	3.6
180.06659	17.3
186.05499	1.8
188.07095	7.8
196.09738	1.8
201.10222	1.8
203.05927	2.4
208.76564	1.8
212.05942	2.6
219.83456	2.4
224.09421	2.0
237.10358	3.8
239.08186	1.9
239.11928	8.6
241.09691	1.9
249.06133	3.7
251.08273	3.1
252.09019	2.5
253.06277	2.4
263.11862	2.1
265.09747	9.7
266.07269	1.6
266.10510	3.5
267.07431	2.4
267.11404	13.3
268.08560	3.1
268.12076	1.8
276.09155	2.0
278.09546	1.5
279.07877	3.8
279.11389	7.7
280.08398	2.7
280.12042	3.9
281.09296	5.8
285.55991	1.9
291.11124	8.0
292.08469	3.8
293.09357	7.4
294.10120	2.7
295.10818	4.8
296.11633	5.7
300.11078	2.2
307.10776	16.1
308.11606	26.8
309.12146	5.5
311.10385	5.0
311.17609	2.0
331.04495	3.6
335.10254	2.2
340.10538	14.1
352.10696	3.0
371.12408	2.1
389.17764	2.0
402.18698	2.2
418.17780	5.5
430.17786	20.9
448.18793	20.6
449.19443	3.2
474.16629	5.2
491.17633	5.5
492.17773	69.0
493.18335	11.8
506.19208	3.4
519.19891	2.1
524.20392	100.0
525.20758	14.5
601.22571	2.0
603.24109	1.8
607.24469	10.8
608.24805	3.5
621.25531	3.6
631.23932	7.5
632.24451	2.1
649.25171	6.0
663.26422	8.3
681.27954	17.9
682.27856	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	681.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03194	1.9
59.01382	15.4
61.76143	1.7
63.02439	1.9
71.01386	8.8
71.55072	2.2
71.55444	3.2
72.99313	4.7
73.02934	2.9
75.00861	2.1
83.01379	4.9
85.02950	4.8
85.96597	1.6
87.00878	5.6
89.02463	2.5
99.00867	9.6
99.76350	1.8
100.01656	7.0
101.02451	4.4
103.56504	1.6
107.01405	5.9
111.00873	25.1
112.83183	2.0
113.02412	4.2
113.99587	31.6
115.00365	5.9
123.00871	10.9
124.01665	2.9
125.02441	31.7
128.01164	11.3
139.00388	8.3
140.01169	2.8
151.00357	5.6
156.00645	100.0
157.01241	6.2
161.02431	4.1
162.71571	1.8
165.01886	2.5
167.03510	3.8
168.00658	6.5
169.01416	44.6
174.01682	67.8
175.02417	7.8
177.01912	6.6
179.02086	1.9
205.35501	1.9
211.02470	29.6
271.04578	38.5
285.04031	2.0
383.32669	1.9
477.17856	2.5
505.21011	9.5
524.20435	2.9
533.21393	6.3
535.21747	10.4
543.07861	2.3
545.19708	2.4
549.29041	5.9
563.21216	18.8
564.21729	4.8
565.22638	8.6
577.22351	3.4
581.22278	35.6
582.22736	7.3
591.22473	2.8
617.22931	3.0
619.23932	81.8
620.23956	13.1
621.21777	33.5
622.21979	6.9
633.21613	3.6
645.21765	17.0
646.22534	3.4
663.22876	9.9
681.25708	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	681.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.9
56.76494	0.8
57.03448	1.0
58.02958	1.9
59.01381	7.9
61.98825	10.7
64.94233	0.8
65.00342	1.2
67.01883	2.4
68.99817	1.0
69.03458	2.4
69.93739	0.8
71.01376	5.8
71.05025	0.8
72.99286	1.7
73.02951	2.1
75.00860	2.3
75.32635	0.7
83.01390	1.9
84.04530	1.5
85.02950	5.4
87.00870	1.9
88.98799	6.1
89.02418	1.9
93.03463	2.4
94.50138	0.8
95.01412	4.7
96.96007	3.5
97.02947	1.9
99.00860	1.9
99.04527	0.9
100.47375	0.8
101.02419	2.8
107.01400	6.4
109.02947	2.0
111.00883	7.5
113.02465	4.7
116.92890	2.1
117.03460	1.0
119.03352	0.9
119.05012	1.7
121.02940	2.1
122.06087	1.7
123.00887	14.3
123.04504	1.5
124.01633	3.3
124.03989	1.5
125.02448	80.5
126.02774	2.4
127.00358	3.4
129.01974	1.0
135.04536	1.0
136.98795	1.6
137.02438	2.5
139.00386	8.6
139.04027	1.5
140.01161	4.5
141.01897	1.3
142.41554	0.7
145.02965	4.5
149.02414	1.6
150.03194	4.0
151.00346	4.3
151.03975	1.4
161.02420	1.5
163.03993	3.3
165.01823	1.2
165.05540	3.5
166.06392	4.7
166.99883	6.2
168.00642	11.9
169.01422	100.0
170.01724	5.6
175.02563	1.5
177.01840	1.8
181.01411	1.5
181.05035	0.8
181.08624	1.9
183.02975	7.1
195.06622	1.7
211.02501	1.3
225.08784	8.2
271.04431	1.3
301.03271	1.7
317.06549	3.3
318.07364	6.2
331.08173	2.2
332.09045	16.6
333.09781	11.8
334.09958	1.0
347.07660	2.1
347.11490	1.6
387.10629	3.1
466.12177	1.0
481.15149	1.5
481.35370	2.7
482.35867	1.0
485.08292	1.8
493.14969	1.8
511.16202	3.9
529.17108	56.6
530.17413	9.5
587.14581	1.0
651.72699	0.9
681.18115	53.2
681.37262	11.7
682.18304	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	681.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01180	0.9
57.03444	1.7
59.01378	6.0
61.98823	3.2
67.01879	2.2
69.03465	2.6
69.47457	1.1
71.01384	5.1
71.52424	1.2
72.99318	1.3
75.00866	2.6
79.01878	1.4
79.95756	1.0
81.03471	1.0
85.02949	4.4
89.02460	1.4
93.03481	1.3
95.01405	5.7
96.96008	21.9
96.96602	1.6
97.02941	2.4
99.00875	1.8
101.02402	1.4
107.01382	8.5
109.02953	1.3
111.00867	3.0
113.02424	4.1
123.00896	14.6
124.01682	1.5
125.02445	75.5
126.02829	2.5
137.02441	1.7
139.00366	5.6
139.03996	1.5
139.07726	1.0
140.01083	1.7
141.01933	1.1
145.02922	1.7
149.01195	1.0
149.05972	1.3
151.00337	1.6
151.04012	1.3
161.02391	1.7
166.99800	6.2
167.03499	1.5
168.00607	3.8
169.01418	100.0
170.01762	4.6
176.87602	1.0
177.01912	1.9
183.02954	3.6
217.01424	1.1
234.56152	0.9
263.76514	1.0
302.07800	1.1
314.07635	1.8
317.06668	3.9
318.07266	1.7
331.08148	4.9
332.08975	33.5
332.12958	2.1
333.09714	5.7
341.06738	1.0
342.06985	1.7
347.11334	2.4
384.96848	1.1
448.10550	1.3
466.12189	1.7
481.15015	18.3
482.15326	1.9
493.15253	11.0
511.16013	54.6
512.16382	8.0
529.23163	1.6
582.29944	1.1
618.13434	1.0
649.48987	1.0
681.19800	0.9
681.37817	10.8
682.36523	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	680.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.3
61.98530	1.3
61.98829	19.4
69.03454	1.0
71.01385	3.2
71.55418	0.7
72.08370	0.6
73.02929	0.8
79.01878	1.0
79.95705	0.7
81.03473	0.8
83.01377	0.6
85.02940	1.9
87.00897	0.8
89.02444	0.9
92.85318	0.6
95.01376	1.8
96.96010	3.1
97.02939	1.1
101.02457	1.4
105.03453	0.7
107.01380	3.0
108.02180	2.8
109.02945	8.1
111.00874	1.5
112.95831	0.7
113.02449	1.7
117.92940	0.5
121.02956	0.8
123.00902	3.9
123.04529	7.9
124.01645	1.2
125.02443	52.3
125.98677	0.6
126.02771	2.8
133.02919	1.7
135.04443	0.9
136.05299	1.0
137.02444	2.3
139.00380	1.9
140.01198	1.4
145.02950	2.7
147.04517	1.0
149.02435	1.5
149.06036	0.9
150.03224	1.2
151.00311	1.6
151.03996	6.5
159.04463	0.7
160.01668	1.0
161.02412	1.5
162.61937	0.6
163.04080	0.8
166.99820	4.0
167.03450	1.1
168.00639	2.1
169.01416	100.0
170.01741	4.9
175.03976	1.2
177.01918	12.6
187.03995	2.3
189.01936	9.9
190.02675	5.5
191.03482	2.9
193.01408	6.1
203.03535	1.2
216.00676	2.5
217.01363	8.9
217.03290	1.1
218.01907	0.8
219.02934	3.8
223.13394	1.0
227.07121	0.8
231.02943	2.6
232.03688	0.8
253.08492	0.6
258.05191	0.7
259.06122	2.3
269.04599	0.8
270.05396	0.7
271.06354	3.1
281.04614	3.7
289.07031	1.9
297.07684	2.7
301.07169	5.9
303.05008	5.2
313.07224	3.2
323.05692	2.0
341.06622	31.2
342.07031	3.3
355.08331	2.7
447.10760	7.2
448.11462	1.0
465.11853	40.0
466.12250	5.5
481.35312	1.7
482.35324	0.8
484.07678	1.0
507.09268	3.8
511.16049	2.6
617.12933	16.5
618.13519	3.0
679.30792	0.9
680.18726	4.1
681.24847	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76590	0.8
59.01392	4.3
61.98828	18.7
69.03446	1.5
71.01385	1.8
71.52184	0.8
71.52618	1.2
72.99265	0.8
75.00857	0.9
79.01921	0.8
85.02937	1.9
88.56431	0.9
95.01389	1.4
95.10754	0.9
96.95996	3.0
97.02977	1.6
97.80190	0.8
99.00848	1.0
107.01380	2.4
108.02180	3.1
109.02948	7.2
111.00909	1.4
113.02435	1.0
116.92783	1.2
121.02985	1.2
123.00890	4.6
123.04518	5.8
124.01644	1.6
125.02448	51.0
126.02794	2.0
133.02942	1.1
134.03601	0.9
137.02412	1.2
139.00327	1.5
139.03899	0.9
145.02942	2.1
147.04556	1.0
149.02437	2.2
150.03268	1.0
151.00410	1.3
151.03993	7.8
159.04520	1.2
160.01753	1.2
161.02417	0.9
165.01994	1.1
166.99875	5.0
167.01076	0.8
168.00584	2.9
169.01419	100.0
170.01746	4.1
175.03998	2.5
177.01903	13.3
178.02261	0.9
187.04036	1.5
189.01930	9.8
190.02666	4.2
191.03505	2.3
193.01407	5.4
201.01997	0.8
203.03488	1.0
207.62172	0.9
216.00574	2.0
217.01408	8.6
218.01945	1.4
219.02936	4.6
223.13527	1.0
229.08702	1.1
231.02969	2.2
259.06067	1.9
270.05237	1.2
271.06152	3.0
275.05676	1.1
281.04379	4.1
289.07141	1.8
297.07602	2.4
301.07181	7.5
303.05011	5.3
313.07162	4.6
323.05646	2.0
332.09100	1.1
341.06638	31.6
342.06976	2.3
355.08267	1.9
447.10840	7.6
448.11203	1.9
465.11890	46.7
466.12054	6.6
481.14444	0.9
481.35489	1.9
482.35400	0.9
491.10104	1.0
507.09525	3.4
511.16058	1.8
543.28406	0.9
609.74219	0.9
617.12939	16.8
618.13306	4.5
680.18994	4.4
680.33405	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
56.99777	0.4
57.03431	1.0
58.00597	1.8
59.01378	35.9
60.01703	0.5
61.22007	0.3
61.98840	0.7
68.99794	0.7
69.03458	2.0
70.55894	1.0
71.01382	34.9
72.01707	0.6
72.99314	2.1
73.02943	5.7
75.00858	0.6
81.03436	1.3
83.01389	4.0
85.02449	0.5
85.02947	7.7
86.15514	0.3
87.00332	0.4
87.00872	8.3
87.04538	0.3
89.02444	30.5
91.03996	0.9
93.03425	0.3
95.01373	2.1
97.02952	6.1
99.00879	2.1
99.04530	0.5
101.02441	27.3
102.02725	0.4
102.55782	0.4
102.81286	0.3
103.03985	0.6
108.07957	0.4
109.02960	0.7
110.26011	0.3
111.00846	0.5
111.04489	1.2
113.02450	15.4
115.03981	0.6
119.03506	9.0
121.02931	0.4
124.01553	0.4
125.02450	12.8
126.02767	0.5
127.03982	0.3
131.03464	1.2
133.05058	0.9
137.02431	0.5
139.03979	0.9
141.01958	0.7
143.03496	5.9
149.04539	1.0
161.04555	7.0
167.03485	1.2
169.01416	0.3
169.05008	0.4
179.05600	7.0
181.05014	0.4
185.04471	0.5
199.06177	0.4
203.05490	0.4
217.07178	1.1
221.06671	1.8
235.08221	13.6
236.08412	0.6
245.06633	1.2
253.09248	3.5
263.07706	1.2
274.01181	0.3
277.09262	1.0
281.24841	100.0
282.25220	7.8
287.07733	3.0
295.26343	0.8
305.08871	3.4
323.09830	1.5
379.12579	1.2
397.13483	76.1
398.13791	6.1
415.14563	28.7
416.14951	2.4
456.10162	0.3
539.92706	0.3
625.52051	0.3
679.38220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85801	0.5
55.01874	1.3
55.26813	0.5
57.03442	1.3
58.00585	2.0
59.01378	38.0
61.98819	2.7
68.99835	0.6
69.03450	1.7
71.01381	33.5
72.99302	3.3
73.02952	5.7
75.00877	0.9
76.45693	0.6
80.96514	0.9
81.03483	1.3
83.01389	3.9
85.02941	7.3
87.00877	7.4
89.02443	30.6
95.01385	2.9
95.33791	0.6
97.02953	5.8
99.00875	2.2
101.02446	27.5
111.04476	0.8
113.02441	11.9
115.04003	0.7
119.03502	9.8
125.02443	12.6
130.90977	0.6
131.03552	1.0
133.05057	1.3
139.03987	1.6
143.03510	5.2
149.04552	0.9
152.96672	0.6
161.04535	5.5
164.09218	0.5
167.03442	0.9
169.01393	1.3
177.01886	0.8
179.05612	7.1
185.04555	1.0
199.06100	0.8
217.07068	1.3
221.06657	1.6
235.08208	12.5
245.06850	0.7
253.09305	2.4
263.07727	1.5
277.09406	1.2
281.24844	100.0
282.25198	8.5
287.07669	2.0
293.21179	0.7
295.26318	0.9
305.08960	2.8
323.09750	1.4
397.13492	66.6
398.13940	5.5
415.14587	27.3
416.14780	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	679.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36319	0.6
54.44672	0.6
54.73565	0.7
57.03432	1.1
59.01104	1.1
59.01378	13.1
69.37714	0.5
70.84042	1.7
71.01379	4.2
75.00865	2.8
80.37535	0.7
83.05042	0.7
85.02943	3.3
87.00861	1.9
89.02456	1.2
93.54515	0.6
94.02966	2.0
99.00878	3.2
108.04540	2.8
113.02461	4.5
120.04589	0.8
122.06127	9.5
124.04051	1.9
125.02448	0.8
132.04535	0.7
134.06119	1.8
136.04036	3.7
136.07678	10.2
138.05605	2.6
144.04520	1.1
150.05600	8.3
152.07144	2.1
153.01904	0.6
159.05647	0.6
169.01488	1.4
174.09207	1.1
176.03447	0.7
177.01778	0.6
186.04167	1.0
186.09213	3.6
201.06685	2.6
202.07430	2.1
202.12393	2.2
203.05872	1.4
205.07162	0.7
207.10228	0.9
212.10812	2.4
214.07379	1.0
215.08197	3.0
223.13403	2.3
228.10312	3.1
229.09801	14.1
229.18788	0.6
230.12062	8.8
231.11308	1.0
244.08447	0.9
245.09348	7.4
249.06189	5.2
255.11459	3.0
257.09357	6.2
258.10004	1.7
259.10785	0.7
263.10486	0.6
267.07162	2.5
273.12442	22.3
274.12976	1.3
275.10376	1.5
291.06989	0.8
309.08249	0.8
317.11395	18.6
318.11887	0.9
334.11676	1.3
335.12469	100.0
336.12836	9.0
343.12912	2.4
381.27808	0.7
443.06812	0.7
455.19046	1.4
473.20193	2.8
491.17661	0.7
499.17978	2.4
500.18692	0.8
517.19281	11.5
518.19293	1.5
679.24884	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	679.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65178	0.9
52.86377	1.0
55.01891	1.3
57.03437	4.0
59.01380	56.5
67.01894	1.4
68.99825	3.1
69.57914	3.4
69.58352	5.0
71.01382	23.7
72.99306	5.5
73.02962	2.6
75.00876	22.8
83.01401	2.5
83.05025	2.1
85.02946	24.8
86.03265	1.1
87.00883	7.4
89.02451	7.0
95.01399	7.6
96.96020	2.3
97.02956	1.0
98.19933	1.4
99.00880	25.4
101.02440	2.8
103.00365	2.5
107.04990	1.3
109.02927	2.4
111.00874	1.5
113.02453	27.2
115.00351	2.5
117.01928	2.2
122.06207	1.3
123.00856	1.5
124.01659	1.4
125.02441	4.1
129.01929	2.4
139.00385	1.3
153.01924	1.5
157.01428	4.7
158.69551	1.0
161.09685	1.8
161.13391	2.4
161.49101	1.1
165.04057	1.7
169.01436	2.3
175.02525	2.0
183.02992	2.1
187.11264	1.9
205.07166	2.5
205.12315	7.9
207.05170	1.0
207.10272	3.4
211.02354	1.2
219.30484	1.2
223.13393	11.4
231.05098	3.3
231.38643	1.2
231.53291	1.2
237.81017	1.2
249.06119	27.8
267.07196	19.4
267.12341	2.6
291.07315	2.5
309.08304	4.8
335.12662	1.9
341.15958	2.1
351.10318	1.2
409.05054	1.1
455.19196	5.0
473.20261	5.0
481.17059	2.3
499.18195	31.0
500.18652	3.8
517.19244	100.0
518.19696	14.3
531.20557	2.9
559.20074	4.5
586.37500	1.2
619.22510	2.6
661.23730	1.4
679.24591	30.0
680.24670	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	679.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93130	2.2
57.03448	6.7
58.00592	2.0
59.01378	47.3
67.01888	3.2
69.03453	3.4
71.01385	22.8
71.53925	3.7
72.99306	6.4
73.02943	2.4
75.00871	20.1
83.01369	3.0
83.05026	2.5
85.02964	26.5
87.00886	10.9
89.02451	7.1
95.01402	7.2
96.95995	3.5
97.03009	2.5
99.00884	19.5
111.00832	3.0
113.02466	27.1
122.06144	5.4
125.02444	6.4
129.01945	3.9
136.07721	2.8
157.01425	3.6
160.04163	2.7
161.09818	2.8
161.13356	5.2
169.01404	11.7
175.02504	2.8
181.37384	2.2
205.07214	3.6
205.12323	3.1
207.10274	2.8
223.13353	5.7
249.06145	25.1
257.09351	2.9
267.07236	31.6
272.82297	3.2
273.12402	4.2
317.11459	5.3
335.12399	22.0
341.15707	2.3
363.06808	2.1
411.49390	2.0
455.18677	3.4
493.19156	4.5
499.18219	20.8
517.19269	100.0
518.19464	11.0
530.59485	2.3
531.20612	3.2
559.20306	6.8
679.25354	32.5
680.25739	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	679.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12289	0.5
59.01388	2.6
65.00324	0.6
67.01894	2.1
69.03461	1.8
71.01378	3.2
71.55258	0.7
72.99304	0.8
73.02950	0.9
73.74297	0.5
75.23396	0.5
79.01896	1.1
81.03449	1.0
83.01389	1.4
84.52046	0.5
85.02937	1.3
87.00874	1.6
89.02447	0.6
93.03416	0.5
95.01389	2.5
96.96017	1.0
97.02356	0.6
97.02947	2.7
101.02454	1.8
107.01386	11.2
108.02221	0.8
110.00079	0.6
111.00860	4.4
113.02444	1.7
121.02979	1.3
123.00885	12.6
123.04498	1.2
124.01663	3.8
125.02445	66.1
126.02769	3.1
127.00385	1.0
127.07661	1.0
136.98799	2.1
137.02423	1.5
139.00374	7.8
139.03957	0.8
140.01161	5.9
141.01926	1.2
145.02916	0.8
149.02402	2.5
150.03210	7.8
150.05646	0.8
151.00356	7.8
151.03984	2.1
153.01904	0.9
153.05556	1.0
154.51279	0.5
154.99886	0.7
161.02383	0.7
162.03236	0.5
163.04015	1.2
164.04782	1.6
165.05553	6.4
166.99852	2.7
167.03529	1.2
168.00638	9.8
169.01418	80.2
170.01747	4.1
171.06659	1.0
175.04034	0.6
177.01964	1.3
179.03467	1.4
181.01382	0.9
183.02951	3.4
192.04210	0.5
193.01350	1.4
193.05069	1.1
195.06642	0.9
207.02930	0.6
211.02469	2.8
223.02402	0.6
225.04086	1.5
229.09834	1.4
230.11908	0.5
237.03957	1.9
241.03514	0.6
253.03400	0.7
271.04538	1.3
273.12357	1.2
285.06149	1.7
295.04547	1.8
297.06161	1.1
313.05649	10.2
314.06027	0.8
317.11359	1.2
327.06989	0.8
335.12451	6.6
337.34772	0.5
375.09433	2.7
427.64182	0.5
437.07355	0.6
461.10977	0.8
465.06644	1.1
479.11935	7.5
480.12000	0.6
509.12921	1.6
527.13684	8.3
528.13263	0.5
631.13483	2.9
632.13025	0.6
661.14142	3.2
679.15063	100.0
680.15356	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	679.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75276	0.6
59.01374	1.4
67.01877	0.7
68.99811	1.0
69.03455	0.8
69.84766	4.0
71.01363	2.2
72.99320	0.9
73.02906	0.7
75.23365	0.6
79.01888	1.2
81.03464	1.3
85.02934	1.6
87.00885	1.6
92.59682	0.8
95.01380	2.2
96.49342	0.7
97.02949	1.6
98.20566	1.0
101.02431	1.7
107.01389	8.5
108.12739	0.6
109.03041	0.7
111.00858	3.1
113.02451	1.2
121.02904	0.9
123.00891	9.5
124.01651	3.0
125.02451	59.8
126.02795	2.4
127.00352	1.7
127.07640	2.9
133.63425	0.7
136.98828	2.1
137.02403	1.1
139.00394	5.7
140.01196	5.5
141.01927	1.3
147.86014	0.7
149.02467	1.7
150.03236	6.9
151.00380	6.6
153.01906	0.8
153.05493	1.0
161.02499	1.2
162.03276	0.7
164.04851	0.8
165.05594	4.8
166.99889	1.6
168.00652	8.0
169.01431	70.8
170.01736	2.8
171.06581	1.6
176.22137	0.8
177.01979	1.4
179.03532	1.1
182.80634	0.8
183.02985	2.6
193.01422	0.9
195.06601	1.3
211.02429	2.4
225.04100	1.2
237.04053	1.2
253.03603	0.9
271.04459	1.3
273.12494	1.1
285.05936	1.1
295.04556	2.8
297.06104	1.1
313.05692	10.4
317.11374	0.7
335.12442	4.4
375.09332	1.9
461.10834	1.0
479.11887	5.6
509.12720	1.6
527.14612	9.4
528.13934	0.7
591.01324	0.8
631.13104	2.9
661.13995	2.3
679.15100	100.0
680.15302	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	678.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.7
61.93888	1.1
63.79218	1.1
65.00325	4.0
69.19107	1.7
69.19513	10.6
71.01376	1.8
83.01397	3.2
85.02932	2.6
86.57992	1.1
93.03495	1.3
96.96024	2.0
102.81516	1.2
107.01388	8.6
113.02415	1.3
121.02950	9.4
123.87370	1.1
125.02428	4.3
149.02513	1.3
150.99174	2.2
151.00380	38.4
163.00351	1.1
169.01424	7.3
178.98390	1.9
178.99843	16.6
229.04895	1.7
229.09692	1.4
230.11893	1.4
245.04538	1.5
250.88115	1.1
273.03952	1.9
273.12521	2.4
301.03528	100.0
302.03943	7.5
313.05768	1.8
315.77502	1.1
335.12543	7.7
434.10376	1.1
517.19061	4.8
615.09827	20.9
616.10260	3.4
678.18671	2.9
679.24164	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	678.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.2
63.02398	2.2
65.00323	4.9
69.03420	1.1
71.01387	2.8
75.00885	1.7
83.01391	3.3
85.02955	2.5
85.64724	1.1
87.00896	1.9
89.02461	1.2
93.03468	2.0
96.96040	2.1
107.01391	9.5
109.02972	2.2
113.02447	2.4
113.88355	1.1
118.85290	0.9
121.02948	8.7
123.00867	0.9
125.02453	7.2
127.98400	1.0
131.96555	1.0
134.38347	1.0
136.07707	1.7
149.02512	1.7
150.05562	1.1
151.00377	41.4
152.00755	1.3
154.93642	1.0
169.01402	8.7
178.99867	17.3
228.10316	0.9
229.09795	1.8
245.04451	1.8
245.09183	1.0
249.06221	1.4
255.03081	2.3
257.09299	1.2
267.07205	1.5
271.02579	1.2
273.04099	2.8
273.12457	3.5
300.02774	1.7
301.03537	100.0
302.03970	8.4
313.05917	1.3
317.11481	3.5
335.12479	19.5
352.08264	1.1
368.65128	1.1
499.17963	1.7
514.03381	1.0
517.19189	5.8
615.09802	18.5
616.10345	3.4
678.18488	3.6
679.24579	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	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.1
58.00601	2.0
59.01381	34.8
59.01683	1.7
61.98834	6.9
67.68954	1.2
69.03450	3.1
71.01382	32.8
71.36733	2.2
72.99314	3.1
73.02950	6.0
78.95914	3.3
83.01392	2.7
85.02961	8.2
87.00871	8.3
89.02447	34.5
95.01387	1.8
97.02946	5.7
99.00903	1.8
101.02450	27.9
111.04471	1.3
113.02450	13.1
119.03522	9.5
121.02900	2.4
125.02451	16.7
125.12621	1.2
128.01035	1.3
131.03490	1.3
143.03510	4.8
152.08334	1.3
152.99625	1.9
161.04550	7.1
169.01401	6.4
179.05597	5.4
221.06593	2.4
235.08171	12.9
253.09277	3.1
263.07617	1.3
277.09189	1.4
279.23270	100.0
280.23584	9.1
287.07794	3.1
305.08838	3.5
323.09998	1.6
397.13480	76.1
398.13840	4.6
415.14581	30.2
416.14767	2.3
482.30270	1.6
595.28717	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	677.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
56.85494	0.2
57.03444	0.9
58.00600	1.7
59.01381	39.6
61.98845	0.4
67.01911	0.4
68.99842	0.7
69.03452	2.2
71.01383	34.3
72.01723	0.3
72.09912	0.3
72.99312	2.2
73.02950	6.0
75.00887	0.9
79.20531	0.2
81.03452	1.8
81.03870	0.3
83.01389	4.0
85.02955	7.6
86.00116	0.3
87.00878	8.8
87.04523	0.5
89.02446	31.3
90.02839	0.3
91.04011	0.7
93.03497	0.3
95.01392	2.8
97.02956	6.2
99.00880	2.4
99.04541	0.5
101.02446	29.5
102.02777	0.7
109.02974	0.7
111.00916	0.6
111.04534	0.8
112.01652	0.3
113.02456	13.7
114.02792	0.6
114.05173	0.3
115.04024	0.6
119.03503	9.0
120.03815	0.3
121.02966	0.6
123.64754	0.2
124.01678	0.5
125.02447	13.2
127.04000	0.6
131.03505	1.6
133.05077	1.1
139.04022	0.9
141.01956	0.5
143.03502	5.2
149.04544	1.0
161.04565	7.1
162.04941	0.3
167.03531	1.0
169.05075	0.6
171.02950	0.3
178.39708	0.2
179.05620	6.5
185.04582	0.7
199.06120	0.5
203.05573	0.5
217.07185	1.1
219.05037	0.4
221.06689	2.2
235.08231	13.0
236.08607	0.9
245.06683	0.9
253.09302	3.0
261.22321	0.4
263.07785	1.4
277.09283	1.0
279.23279	100.0
280.23633	10.3
287.07758	3.5
293.24838	0.4
305.08746	3.5
323.09714	1.8
361.11282	0.4
379.12354	0.9
397.13501	71.0
398.13843	5.7
415.14566	30.4
416.14886	2.4
615.36053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63126	0.9
57.03458	1.3
59.01366	3.2
65.00341	1.5
67.01875	2.0
69.03471	2.3
71.01379	7.1
71.55862	2.4
72.99287	1.1
79.01904	1.5
85.02942	2.0
87.00880	1.4
95.01372	2.3
97.02970	1.1
101.02452	2.0
107.01399	14.5
108.02225	1.4
109.02959	1.4
110.00058	1.2
111.00889	5.7
113.02473	2.0
121.02967	3.4
122.03738	4.6
123.00882	14.3
123.04504	1.4
124.01646	3.6
125.02448	74.0
126.02796	2.2
127.00363	2.2
134.03738	7.9
135.04565	5.3
136.98808	3.2
137.02490	1.9
138.95720	1.1
139.00377	8.6
139.03903	1.4
140.01180	8.6
141.01956	1.7
146.03734	4.1
147.04488	1.0
149.02425	2.0
149.06081	6.8
150.03218	6.5
151.00380	9.2
151.03946	1.6
153.01918	1.2
161.06062	3.0
164.04767	2.9
165.01942	1.8
165.05563	5.6
166.06348	1.6
166.99786	1.8
167.03510	3.1
167.07143	45.3
168.00644	16.0
168.07452	2.4
169.01425	100.0
170.01802	3.3
177.01924	2.9
179.03473	1.1
179.07094	6.5
181.01529	1.2
183.02945	2.4
185.18843	1.4
211.02435	4.0
221.08401	1.2
223.02452	1.3
243.02783	1.5
271.04477	1.4
297.06296	1.1
313.05670	45.5
327.07199	2.0
461.11365	1.5
480.12756	21.4
481.13406	11.6
495.15137	1.9
523.14514	1.8
535.14563	11.6
553.15912	1.2
629.18878	9.9
630.19177	1.3
641.18994	1.5
659.19855	21.8
660.20203	3.7
677.20941	83.5
678.21210	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	677.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37212	0.8
57.36159	0.9
58.71307	0.9
59.01366	5.6
67.01879	1.3
69.03448	1.7
69.30042	1.5
69.30450	6.4
71.01366	3.6
72.99296	1.0
73.02953	1.9
75.68927	1.0
79.01875	1.1
79.13243	0.9
81.03467	0.9
83.01388	2.4
84.66483	0.8
85.02962	3.2
85.80421	0.9
87.00860	2.0
89.02434	1.8
95.01386	4.0
96.95995	2.5
97.02946	2.4
99.00882	1.0
101.02443	2.4
107.01386	8.7
109.03036	1.0
111.00888	4.4
113.02433	2.4
121.02885	1.1
123.00885	13.8
124.01652	3.4
125.02448	52.8
126.02775	1.2
127.00353	1.5
130.92122	1.2
136.98761	2.5
137.02444	1.5
139.00369	7.5
140.01176	6.7
141.01920	1.6
151.00380	6.5
160.04034	0.9
166.99837	2.3
167.03491	1.1
168.00650	10.2
169.01418	55.1
170.01707	3.4
177.01929	1.4
179.03471	1.1
207.02997	1.3
211.02432	3.3
223.92065	0.9
287.56177	0.9
297.06204	1.1
313.05469	2.5
355.10458	4.4
369.64896	0.8
373.11380	18.0
374.11801	1.8
383.57697	0.8
403.38297	0.9
450.07855	1.0
463.91553	1.0
483.08115	1.0
507.11374	1.2
525.12384	13.3
526.13110	1.3
601.23047	1.0
677.13416	100.0
678.02832	1.6
678.13794	18.0
678.23340	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
57.03427	0.9
58.00597	1.7
59.01378	47.0
61.82903	0.7
61.98576	0.7
61.98834	9.1
69.03455	2.8
69.27051	7.0
71.01380	42.5
72.99294	3.4
73.02946	7.0
73.75753	0.7
75.00878	1.3
78.95908	8.0
78.96735	0.6
81.03452	2.7
83.01387	4.6
83.77083	0.7
85.02950	8.4
87.00866	11.3
89.02444	39.3
91.04018	0.7
95.01372	2.6
97.02954	7.1
99.00881	2.2
100.01250	0.9
101.02439	37.1
103.38029	0.7
109.02931	0.8
111.00855	1.3
111.04515	1.8
113.02455	18.3
115.04041	1.3
119.03500	12.8
121.02983	0.9
123.34679	0.9
124.01589	0.8
125.02441	17.1
131.03496	2.2
133.05054	1.0
139.03979	2.2
143.03493	6.5
149.04533	1.4
152.99593	5.6
161.04527	8.5
167.03543	1.5
169.01447	1.4
179.05605	6.6
217.07190	1.7
221.06621	3.4
235.08235	15.5
235.10323	0.5
241.01172	1.1
245.06628	1.4
245.61020	0.7
253.09280	3.4
253.69302	0.7
263.07599	1.5
277.21710	100.0
278.22052	9.8
287.07788	3.3
305.08789	3.5
323.09708	1.3
379.12326	1.6
397.13483	90.4
398.13779	7.5
415.14529	41.5
416.14954	3.9
593.27148	7.4
594.27386	1.2
675.34650	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56683	0.5
55.01867	1.3
55.91301	0.4
57.03429	1.3
58.00586	1.7
59.01378	46.6
60.01706	0.5
61.88201	0.4
61.98827	3.6
65.43082	0.5
65.92209	0.4
68.37317	0.4
68.99784	0.4
69.03458	3.1
71.01380	42.5
72.99307	3.6
73.02952	6.5
75.00858	1.1
78.95902	7.2
79.01308	0.5
81.03439	1.5
83.01385	5.5
83.05029	1.0
85.02960	10.2
87.00876	11.2
87.01685	0.5
89.02442	34.0
90.02754	0.8
90.53407	0.5
91.04005	0.7
95.01387	3.9
96.96958	0.7
97.02354	0.6
97.02949	7.6
98.20657	1.1
99.00871	2.6
99.04548	0.6
101.02442	33.4
102.02785	0.9
109.02931	1.2
111.00864	1.0
111.04495	1.5
113.02443	16.5
113.03237	0.8
115.04057	0.8
119.02644	0.7
119.03499	11.3
121.02957	1.0
125.02449	14.9
131.03467	2.0
133.05104	1.2
139.04016	1.2
141.01949	0.6
143.03510	5.9
147.53629	0.5
149.04485	1.1
152.99550	3.8
157.05022	0.7
161.04543	7.9
163.11307	0.5
164.92517	0.5
167.03482	1.2
169.01427	0.6
169.05016	0.6
179.05605	7.7
185.04491	0.9
199.06090	0.7
201.11232	0.6
203.05722	0.6
209.11755	2.1
211.13327	0.9
212.13741	0.7
217.07138	1.5
219.05000	0.7
221.06630	3.0
227.12862	0.6
235.08200	16.6
236.08601	0.6
245.06558	1.1
253.09332	4.6
263.07678	1.5
275.20102	0.8
277.09558	1.0
277.21707	100.0
278.22046	7.7
287.07761	3.9
293.21051	0.7
301.74478	0.4
303.75610	0.5
305.08804	5.1
323.09866	2.6
355.23071	0.5
363.12350	0.6
379.12180	1.2
392.34674	0.5
397.13489	84.6
398.13840	7.1
415.14554	36.0
416.14636	3.0
431.22034	0.6
593.27478	1.0
657.33398	1.1
675.34845	3.2
676.35156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.7
59.01144	0.6
59.01379	6.2
61.98820	3.0
67.01886	2.5
68.99820	0.9
69.03442	2.0
69.24196	4.7
71.01378	7.0
72.99310	1.2
73.02931	1.6
74.57025	0.5
75.89798	0.7
77.16523	0.7
79.01881	2.9
81.03441	0.9
83.01394	1.9
85.02957	3.3
87.00871	1.3
88.98811	0.7
89.02401	1.3
95.01376	3.1
96.95992	2.0
97.02935	1.5
99.00864	1.6
99.04491	0.9
101.02428	3.3
107.01389	10.8
109.02944	0.9
110.00093	0.6
111.00890	4.4
113.02435	3.2
116.92903	0.6
119.05025	1.1
123.00890	26.6
124.01643	2.5
125.02449	45.4
126.02798	2.8
127.00346	1.5
127.02885	0.9
127.11271	0.6
136.98834	3.0
137.02420	1.6
139.00378	9.7
140.01181	6.1
141.01878	2.3
143.10805	0.5
145.02957	0.9
149.02531	0.9
150.99171	1.0
151.00377	15.0
151.03979	1.1
153.01923	1.4
154.99825	0.8
157.08708	0.9
161.02457	1.2
163.04001	1.1
167.03499	1.1
168.00648	5.9
168.03725	0.6
169.01424	44.5
170.01772	3.8
171.01906	1.0
173.04550	0.8
177.01927	1.1
181.04955	0.7
191.03383	0.6
203.14490	0.7
205.05072	0.8
211.02444	3.3
212.02687	0.8
221.15428	1.9
222.15472	0.6
265.14404	4.0
266.14795	0.7
271.04559	1.7
285.04031	1.5
286.04294	0.9
287.22302	8.2
300.02768	1.0
313.05557	1.8
315.05164	4.1
375.27417	1.6
387.23907	3.6
431.26459	0.9
449.27606	12.2
450.28214	1.4
523.21533	7.3
523.30878	1.7
583.27527	19.4
584.27985	3.1
601.28619	3.5
622.35687	0.6
675.22125	29.2
675.32635	100.0
676.22662	4.6
676.32953	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	675.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18726	0.4
58.02971	7.8
59.01374	1.2
64.13982	0.5
70.02975	7.4
71.01367	0.7
72.00887	2.5
72.04544	1.2
74.02470	40.5
87.00941	0.6
95.01334	0.6
98.02481	7.9
105.23546	0.5
116.03553	8.9
116.05058	14.3
117.05412	0.5
123.00880	0.5
125.02442	5.0
130.06622	1.6
138.01941	3.7
142.06622	4.8
159.09267	3.5
167.03557	0.8
169.01393	3.1
177.02042	0.7
183.09204	0.7
186.05588	1.4
191.05551	1.1
201.10336	3.3
203.08252	38.9
204.08603	1.8
245.09283	100.0
246.09702	6.8
254.31851	0.5
281.14563	0.6
395.04822	0.6
561.29645	0.6
675.18774	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	675.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18726	0.4
58.02971	7.8
59.01374	1.2
64.13982	0.5
70.02975	7.4
71.01367	0.7
72.00887	2.5
72.04544	1.2
74.02470	40.5
87.00941	0.6
95.01334	0.6
98.02481	7.9
105.23546	0.5
116.03553	8.9
116.05058	14.3
117.05412	0.5
123.00880	0.5
125.02442	5.0
130.06622	1.6
138.01941	3.7
142.06622	4.8
159.09267	3.5
167.03557	0.8
169.01393	3.1
177.02042	0.7
183.09204	0.7
186.05588	1.4
191.05551	1.1
201.10336	3.3
203.08252	38.9
204.08603	1.8
245.09283	100.0
246.09702	6.8
254.31851	0.5
281.14563	0.6
395.04822	0.6
561.29645	0.6
675.18774	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	675.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91225	0.8
55.01888	1.2
57.03449	2.3
59.01374	9.0
60.99320	0.9
61.98832	4.1
67.01898	2.9
68.14640	1.1
69.03458	2.8
69.31363	8.5
71.01367	8.3
72.99319	1.5
73.02952	1.9
75.39171	0.8
79.01907	2.4
81.03448	1.7
83.01388	2.9
83.05027	1.0
85.02961	4.3
87.00887	2.4
88.98827	1.5
89.02459	2.3
93.03477	2.3
95.01394	5.5
96.96039	1.9
97.02943	3.7
98.56840	0.9
99.00909	1.2
101.02454	4.7
107.01388	18.9
110.00108	1.3
111.00890	5.7
111.04527	1.6
113.02474	3.1
121.02936	1.1
123.00889	26.3
124.01720	4.3
125.02448	88.9
125.06093	1.8
126.02798	3.1
127.00389	2.6
136.98827	3.7
137.02434	2.4
139.00354	12.8
140.01163	9.5
141.01892	3.2
145.02902	1.1
151.00360	16.3
153.01897	1.2
155.03499	1.6
161.02383	1.4
165.01929	1.0
165.09206	3.2
166.99825	1.4
167.03447	1.8
168.00633	11.3
169.01428	100.0
170.01775	4.1
173.04463	1.0
179.03484	1.2
181.05138	1.0
209.08229	8.1
209.11813	6.3
210.12207	2.6
211.02472	9.0
211.12239	1.1
227.12874	1.1
241.03531	0.9
271.04611	9.4
279.11417	0.9
287.22217	10.2
290.98312	0.9
308.11768	1.2
313.05652	9.6
334.33023	1.1
387.23682	1.3
430.17459	1.1
431.26495	2.5
449.27545	14.7
449.33301	1.7
450.28293	1.9
465.06790	3.3
474.16782	2.1
505.21027	1.3
506.19046	2.6
523.13989	1.7
523.21796	29.8
524.22168	4.3
545.68604	1.0
583.27509	8.5
584.27832	1.5
599.23218	1.0
601.28436	2.3
613.28253	6.4
637.20288	2.5
675.22815	96.5
675.32721	52.3
676.23260	19.1
676.33124	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	675.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.5
59.01377	7.4
61.98827	6.6
69.03448	1.4
71.01385	6.0
71.03234	1.2
71.03564	0.8
72.99304	0.9
73.02959	1.0
75.08825	0.7
79.01905	1.4
83.01384	1.7
83.04952	0.8
85.02931	2.1
87.00863	1.4
88.98823	1.2
89.02422	2.9
93.03457	1.1
95.01394	2.3
96.96008	3.4
97.02963	1.4
101.02432	2.8
107.01401	9.3
109.02970	0.9
111.00854	2.5
113.02423	2.4
116.92846	1.3
121.02934	0.9
123.00890	10.7
123.04467	1.1
124.01644	3.3
125.02450	50.1
126.02764	1.0
127.00336	1.6
133.02977	0.9
135.04477	0.8
136.98816	2.3
137.02408	1.1
139.00377	4.8
140.01155	5.0
141.01842	1.6
151.00409	5.9
161.02464	1.0
163.00308	0.9
166.99895	1.0
167.03461	1.9
168.00665	8.1
169.01433	61.4
170.01733	2.6
177.01920	0.9
181.01291	1.0
181.02855	0.7
181.05022	0.9
193.01421	1.2
209.11833	15.1
210.12193	7.3
211.02495	14.2
211.12279	1.3
223.79659	0.9
227.12839	2.4
229.13522	1.0
259.22287	0.8
267.69305	0.8
271.04590	11.9
301.03442	1.1
302.03702	1.0
313.05682	2.2
355.24582	1.8
385.64572	0.8
388.15555	0.8
477.32315	2.0
497.22842	0.9
523.21832	14.5
524.22455	1.6
526.17889	0.8
631.24481	0.9
675.22845	100.0
675.32294	5.0
676.23187	16.1
676.33942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03406	0.8
57.20832	0.7
59.01144	0.7
59.01382	7.0
61.98804	1.1
65.42999	0.8
67.01885	2.0
68.11522	0.8
68.54961	0.7
69.03416	1.4
70.12607	0.8
71.01375	5.3
72.99307	1.3
79.01871	1.9
83.01363	1.0
83.59954	0.9
85.02924	2.8
87.00887	1.6
89.02412	1.7
90.34156	0.8
95.01359	3.5
97.02917	1.6
98.15153	0.8
99.00866	1.6
101.02390	1.5
107.01384	14.2
108.45303	0.9
111.00849	3.6
113.02423	3.1
119.05019	1.4
123.00886	14.8
124.01644	2.5
125.02448	52.6
126.02732	1.6
127.00315	2.0
131.05347	0.9
136.98759	2.5
137.02438	1.0
139.00365	7.8
140.01195	6.7
141.01877	2.6
145.02892	1.9
151.00354	8.7
153.01817	1.1
161.02383	1.0
163.04001	1.7
168.00629	9.4
169.01419	53.4
170.01695	3.2
173.04482	1.1
211.02480	5.6
271.04630	7.1
287.22107	2.4
313.05426	3.0
375.27414	1.2
387.23621	2.4
449.27203	3.7
523.21747	22.9
524.22003	2.3
583.27667	5.1
584.27185	1.0
585.12134	3.3
674.34076	2.0
675.22565	100.0
675.32623	21.2
676.22955	17.5
676.32697	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93867	0.8
55.06537	0.7
57.03428	1.2
59.01380	5.1
61.98799	1.1
67.01885	1.2
68.99781	1.0
69.03445	0.9
71.01377	5.5
72.99314	1.4
73.02946	1.2
75.00858	1.6
79.01871	1.4
79.27047	0.8
81.03468	0.8
83.01368	2.1
85.02943	3.2
87.00852	1.6
87.71543	0.9
88.98777	0.8
89.02423	1.7
95.01372	3.2
96.95988	1.5
97.02936	2.1
98.19940	2.3
99.00858	1.6
101.02429	2.9
107.01398	13.3
108.02936	0.7
109.02946	0.8
111.00900	3.9
113.02445	4.3
119.05015	1.6
123.00893	17.8
124.01631	2.6
125.02448	56.9
126.02774	1.1
127.00373	1.8
130.74228	0.7
136.98763	2.2
137.02477	1.2
139.00356	8.3
140.01151	6.1
141.01956	1.4
145.02913	2.3
151.00368	11.0
151.03960	1.0
153.01836	1.0
161.02399	1.7
163.03917	1.8
165.36128	0.7
167.03447	1.4
168.00618	9.0
169.01421	59.9
170.01703	2.7
174.01622	1.0
198.61987	0.8
211.02472	6.7
253.03387	1.2
271.04590	7.6
287.22269	1.3
293.89508	0.9
305.06787	1.1
313.05588	2.1
317.06815	0.8
375.27118	1.8
387.23828	3.1
449.27472	3.2
460.08047	0.8
523.21820	25.4
524.22131	3.1
583.27203	3.8
585.12634	3.9
601.28851	1.0
674.34766	3.4
675.22638	100.0
675.32861	23.4
676.22961	18.3
676.33051	3.0
684.82898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34760	1.0
57.03430	3.5
59.01377	8.5
61.98571	1.1
61.98830	10.8
65.00316	1.5
69.03432	1.9
71.01362	4.7
73.02942	1.4
77.01614	1.0
79.01884	1.6
81.03468	6.1
83.01376	2.0
85.02939	2.1
87.00877	1.5
95.01374	2.4
96.95992	2.5
97.02923	2.2
99.04439	1.1
99.15159	1.1
101.02454	2.5
107.01394	7.1
109.02934	1.6
111.00854	1.9
113.02424	3.0
123.00884	5.8
123.08127	2.2
124.01633	2.3
125.02448	77.4
125.06054	4.2
126.02756	2.8
136.98740	1.1
137.02473	2.5
139.00339	1.9
140.01132	1.9
141.01961	1.5
143.03496	1.7
149.02376	1.3
149.06006	1.1
151.00314	4.6
151.03922	1.0
161.02396	3.4
165.01933	1.5
165.09210	26.9
166.09494	2.1
166.99727	1.5
167.03436	2.8
168.00618	3.8
169.01424	72.8
170.01781	1.6
171.10262	1.5
177.01923	1.7
189.01930	1.1
193.01355	1.2
201.11334	1.5
209.08186	55.4
209.11769	13.5
210.08499	2.7
210.12210	6.1
211.02396	2.6
211.13354	1.6
223.24803	1.2
227.12926	1.7
251.09259	1.2
253.09222	1.7
287.05447	1.1
295.04492	1.9
313.05658	17.0
423.05670	1.3
465.06860	8.4
477.31760	1.3
523.14221	3.7
523.21533	2.0
615.93066	1.3
637.21570	2.1
675.15393	100.0
675.33978	3.6
676.15814	20.0
676.26703	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
59.01378	8.4
61.98830	4.4
65.00305	1.1
65.98145	0.6
66.54196	0.6
67.01880	2.4
69.03452	2.2
69.26594	3.7
69.27018	2.3
71.01387	7.0
72.99301	1.8
73.02928	1.6
79.01894	2.8
81.03448	3.0
83.01385	2.2
83.05045	0.9
85.02956	4.4
87.00878	2.3
88.98819	0.9
89.02438	1.5
95.01393	4.0
95.05030	0.7
96.46381	0.6
96.95972	1.7
97.02943	3.5
99.00858	1.7
101.02448	5.4
107.00705	1.3
107.01392	16.8
109.02935	2.0
110.00103	0.8
111.00876	5.4
111.02788	0.7
113.02433	3.3
113.04577	0.7
119.03466	1.1
121.02967	0.9
123.00890	20.9
123.04507	1.5
124.01628	3.2
125.02448	92.2
125.06045	3.6
126.02779	3.1
127.00366	1.8
134.57741	0.6
136.98772	2.4
137.02444	1.8
139.00360	8.2
139.03938	0.8
140.01172	7.9
141.01881	2.4
143.03456	1.6
145.02939	0.8
149.02429	0.7
150.03149	0.7
151.00362	12.5
151.04153	0.7
152.01013	0.8
152.07135	0.8
153.01898	1.4
156.00560	0.8
161.02460	1.1
163.03938	1.1
165.01918	1.1
165.05530	0.7
165.09204	6.3
165.46043	0.7
166.99879	1.3
167.03479	1.5
168.00652	10.6
169.01422	100.0
170.01759	4.6
174.01686	1.1
177.01875	1.4
179.03403	1.1
181.01343	1.4
181.05055	1.3
191.07143	0.7
193.01395	1.9
193.05255	0.7
209.08186	14.7
209.11803	7.3
210.08534	1.3
210.12164	4.5
211.02463	9.7
212.02959	0.7
225.03915	0.8
227.12903	0.7
251.09189	0.9
253.03558	1.3
271.04578	9.5
272.04794	0.9
287.22266	8.3
295.04581	1.8
313.05627	13.9
314.05701	0.9
387.23990	1.8
405.04562	0.9
430.17947	1.0
431.26700	1.5
449.27499	12.1
450.27710	1.0
465.06653	5.1
474.16760	1.5
505.20483	1.2
506.19290	1.0
523.14648	2.2
523.21820	29.5
524.22162	3.2
583.27411	2.0
613.28607	1.1
637.20227	1.0
643.23767	1.4
674.34015	4.7
675.14221	21.6
675.24194	97.8
675.32928	21.2
676.14423	3.5
676.24628	13.0
676.33331	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45619	0.5
55.48885	0.5
57.03446	1.3
59.01378	1.6
59.45885	0.5
61.98486	0.5
68.93391	0.5
71.01380	1.5
71.51540	0.6
73.08746	0.5
83.01384	1.4
85.02953	7.0
87.00867	1.6
93.03465	2.6
101.02457	0.5
107.01342	1.2
111.00864	0.6
111.04531	1.1
124.01669	0.6
125.02451	11.5
127.04021	1.6
128.46349	0.4
137.02414	0.6
139.03996	0.5
151.00380	6.2
168.00632	1.9
169.01419	13.2
173.04596	0.6
175.00392	1.1
179.05626	2.1
179.65335	0.5
191.05609	100.0
192.05962	5.8
193.01393	1.1
193.06059	0.6
195.13855	3.5
198.21706	0.5
211.02455	7.0
271.04572	9.2
272.05072	0.7
289.08731	0.6
330.09372	1.2
331.06680	26.1
332.07108	1.7
343.06686	30.5
344.06958	3.2
345.08249	1.2
363.42731	0.5
493.38281	0.5
645.28845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39442	0.4
51.91782	0.5
55.18527	0.4
57.03439	1.7
62.78098	0.4
63.63716	0.4
69.03426	0.6
71.01388	0.4
79.01878	0.6
81.03446	1.0
83.01366	0.6
86.16826	0.5
86.71370	0.5
96.96011	0.5
97.02962	1.1
105.03479	0.4
107.01412	0.5
109.02918	0.9
123.00899	0.7
125.02444	53.6
125.10505	0.5
126.02766	1.6
130.08728	8.4
137.02434	1.8
139.04005	0.6
149.02385	0.5
161.02431	3.1
165.01898	1.1
167.03517	1.4
169.01416	100.0
170.01772	3.0
172.09773	5.5
177.05396	0.6
179.03493	1.2
191.05559	1.0
193.01443	1.4
219.06502	0.7
220.29533	0.4
269.04361	0.7
275.05771	0.5
287.05560	2.1
305.06665	5.2
319.04700	0.6
331.04565	1.9
431.55042	0.5
457.07770	8.2
458.08112	1.1
542.60138	0.5
611.25281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02325	0.8
55.01844	0.9
57.03435	0.9
59.01389	6.0
61.98804	1.0
67.01883	2.3
68.99818	1.2
69.03420	0.9
71.01384	5.7
71.18363	1.4
72.99294	1.8
73.02913	1.4
79.01880	1.9
81.03426	1.2
83.01366	2.0
85.02928	3.0
87.00845	1.4
88.98767	2.3
89.02417	1.1
93.03454	1.2
95.01339	3.5
96.95950	2.5
97.02928	2.1
99.00832	2.2
101.02401	3.7
107.01388	11.9
109.02918	1.3
109.67757	1.0
110.00053	1.6
111.00823	3.5
113.02405	2.6
119.04939	1.0
123.00883	23.6
124.01611	2.8
125.02442	68.0
126.02725	2.6
127.00407	1.3
136.98755	2.3
137.02405	1.7
139.00369	9.5
139.03992	1.5
140.01183	7.3
141.01852	2.7
149.99472	1.3
150.06799	1.1
151.00374	15.6
153.01823	2.4
154.99899	1.0
161.02289	1.6
163.07571	1.4
166.99884	1.7
167.03416	2.5
168.00632	10.6
169.01421	78.3
170.01683	3.5
173.04430	2.7
177.01874	1.6
180.65141	0.9
193.01350	1.5
207.06598	9.4
209.11705	2.5
211.02478	10.9
212.02904	1.4
227.03528	1.2
227.12793	2.3
229.04889	1.6
253.03416	1.3
257.04697	1.4
271.04559	11.5
285.04037	20.6
286.04272	1.7
297.06058	3.5
313.05704	7.6
351.88254	0.9
365.23257	1.0
465.06284	1.3
483.07272	2.4
493.14511	1.8
511.35919	2.5
521.13141	1.7
521.19971	6.8
525.26434	1.6
583.10895	12.6
584.10565	3.8
607.55164	1.0
635.19446	2.9
673.12720	14.8
673.21222	31.6
673.33765	100.0
674.13116	3.4
674.21606	6.4
674.34009	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	673.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63596	2.1
57.03426	3.5
59.01365	10.0
61.98825	13.2
65.50286	2.2
71.01377	15.0
71.53366	2.6
73.02953	4.2
79.01881	2.7
83.01385	2.8
83.04991	2.8
85.02927	2.8
87.00836	2.1
89.02425	4.3
92.61919	2.7
101.02431	5.5
106.77767	2.2
113.02435	4.6
125.02439	23.9
137.02431	6.3
137.38313	2.2
139.04057	3.7
163.11285	2.6
165.12804	10.1
167.03511	6.1
168.82114	2.4
169.01392	11.2
171.10184	4.5
173.29689	2.4
177.01865	6.6
183.13889	100.0
184.14200	6.3
185.11848	3.3
199.13408	12.2
201.11290	3.7
207.10231	5.8
209.11790	47.7
211.13364	19.9
225.11308	5.6
227.12848	20.4
235.08253	3.7
253.09286	7.4
289.06116	2.7
305.06528	6.2
417.21133	2.5
461.92249	2.5
463.21802	7.5
629.35181	6.4
655.33167	6.9
656.34149	3.0
673.34338	66.6
674.34460	9.8
696.99170	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	673.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23448	0.8
57.03415	0.9
58.00600	0.9
59.01381	10.4
61.77526	0.8
61.98826	10.8
65.33479	0.9
65.77669	0.8
71.01376	5.4
73.02942	2.6
80.02702	1.4
81.03456	1.6
83.01388	1.5
83.05032	5.5
84.02146	1.0
85.02958	3.1
85.48327	0.9
87.00854	1.3
88.98798	0.8
89.02441	2.4
95.05018	1.7
96.96011	1.5
101.02443	3.1
103.64162	0.9
104.97249	0.8
107.01372	1.8
109.06537	1.1
113.02415	2.8
115.27503	0.9
119.03479	1.1
123.00871	3.0
124.01653	1.4
125.02444	14.0
125.06050	1.2
126.02770	1.2
136.05405	1.1
137.02481	1.7
139.00336	0.9
140.01166	0.9
151.00369	2.2
151.07555	0.9
161.02330	1.0
161.04491	1.1
163.11237	4.1
165.12805	2.6
168.00636	1.6
169.01427	14.2
170.01726	1.0
171.10240	3.3
183.13953	1.3
199.13324	3.0
201.11337	1.2
209.11824	100.0
210.12202	5.0
211.13382	1.6
225.11392	1.0
227.12888	20.5
235.08261	1.6
247.13477	1.8
253.09364	7.8
255.02901	1.2
271.02255	1.6
281.09259	1.9
282.40356	1.1
300.02652	1.9
301.03442	4.2
310.12787	0.9
357.15445	1.2
378.86398	1.1
432.06967	0.9
463.21674	1.3
485.20184	1.2
521.32886	2.3
565.21265	2.0
597.22540	1.2
610.21027	1.3
611.29822	1.0
629.39087	1.4
637.21271	6.3
637.31311	1.8
638.21033	1.0
655.32806	1.7
673.21912	4.0
673.34198	13.3
674.34485	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	673.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
57.03448	5.0
59.01381	35.0
61.98816	2.0
67.01888	0.8
68.99827	1.4
69.03455	1.7
71.01385	30.4
71.05027	6.8
72.01701	0.6
72.99313	8.3
73.02945	4.8
75.00876	36.9
78.04312	0.6
81.03473	0.8
81.51200	0.6
81.55372	0.6
83.01388	3.9
83.05007	2.2
84.02170	0.7
85.02959	29.9
87.00885	8.2
88.41135	0.7
89.02460	4.2
93.03458	1.2
95.01395	4.2
96.95995	2.1
97.02934	2.3
99.00881	14.2
101.02459	3.9
103.00359	0.6
107.01382	2.2
109.02921	1.1
111.00899	3.1
112.01622	1.2
113.02457	30.2
115.00369	3.7
116.92851	0.8
117.01927	1.3
119.03545	0.8
121.02951	5.9
123.00862	3.1
124.01654	1.0
125.02456	13.3
126.02906	0.8
129.01959	1.0
134.03740	7.2
134.06134	1.4
135.08199	0.6
136.98796	0.7
137.02380	0.6
139.00383	3.2
140.01134	2.9
141.01906	0.7
147.00883	1.9
149.09734	1.4
151.00356	2.6
153.01781	0.7
157.01379	2.9
161.02489	1.6
161.04494	0.8
163.11327	0.9
165.01929	0.9
165.12772	1.0
168.00644	1.7
169.01425	13.2
171.06657	0.7
171.10384	1.0
173.04503	0.7
175.02444	5.5
177.09145	2.0
199.13388	1.1
209.11829	26.5
210.12131	1.1
211.02437	0.7
213.07642	2.1
221.08194	18.2
222.08519	1.0
227.12941	4.3
237.07520	0.7
251.11424	1.5
253.09270	1.1
265.09763	0.9
278.48395	0.8
293.12469	1.2
313.05640	1.8
381.11908	1.8
385.22290	1.8
483.18802	3.2
485.19479	0.9
513.16412	0.8
597.23657	0.8
613.20825	1.4
631.23456	0.8
635.19788	8.1
636.20520	1.1
637.20483	2.2
641.22028	1.9
655.22845	1.0
673.23499	100.0
673.34198	12.6
674.23859	17.4
674.34247	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	673.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72865	0.5
59.01377	7.3
61.98824	1.1
67.01876	0.6
71.01387	4.2
72.99297	0.6
73.02940	0.7
75.00831	0.6
79.01880	0.8
83.01379	0.9
85.02946	2.7
89.02438	2.6
95.01373	1.9
96.96004	0.8
99.00886	0.7
101.02442	2.1
107.01398	4.9
108.02170	2.0
109.02942	1.0
111.00887	2.1
113.02440	1.6
119.03532	0.7
123.00884	6.5
123.04485	1.3
124.01644	1.5
125.02439	25.4
136.98758	1.4
137.02441	2.1
139.00342	3.3
139.04016	0.7
140.01137	2.4
149.02483	1.0
150.03218	1.6
151.00378	4.4
151.03992	0.8
152.01161	5.2
153.01886	1.0
154.99898	0.9
161.02516	0.9
163.03998	0.6
165.02003	0.8
165.09152	1.0
166.02710	2.6
167.03438	1.4
168.00659	6.7
169.01422	27.5
170.01759	1.1
176.04729	1.7
177.01834	1.2
178.02597	0.6
178.99821	1.6
189.01805	0.7
193.01376	2.1
194.02162	0.9
206.02200	2.4
209.00931	3.5
211.02478	27.4
212.02728	1.3
271.04608	18.7
272.04880	0.9
281.11804	0.8
297.14911	3.6
307.09760	0.6
308.10632	0.7
316.02121	1.2
317.02975	4.4
323.12881	2.1
341.13898	4.1
511.32440	0.7
517.19452	0.7
521.20245	10.7
522.20764	1.0
629.23035	0.6
655.09454	0.9
673.21387	100.0
674.21735	16.7
687.06219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24802	0.7
57.03444	0.7
59.01382	5.4
61.70660	0.6
61.98839	1.6
65.00327	0.9
67.01885	2.0
68.99831	0.6
69.03449	1.6
71.01388	3.0
72.99308	1.2
73.02943	2.2
73.45853	0.6
79.01901	2.1
81.03445	1.5
82.95536	0.6
83.01401	1.7
85.02953	1.9
87.00871	1.7
88.98804	1.1
89.02449	1.1
93.03454	0.9
95.01389	3.7
96.96014	2.9
97.02941	2.6
98.20720	1.3
99.00858	1.3
101.02453	2.7
107.01387	14.4
109.02927	1.2
110.00055	0.9
111.00884	4.5
111.04410	0.7
113.02458	2.8
116.92885	0.7
117.61421	0.6
121.06654	0.9
123.00884	18.1
123.04531	0.7
124.01703	3.5
125.02448	74.5
126.02763	1.5
127.00360	1.7
129.24451	0.6
136.98817	1.9
137.02481	1.1
139.00368	8.2
140.01169	6.4
141.01955	1.6
149.02428	1.1
151.00380	13.4
151.03999	1.2
153.01913	1.9
161.02431	1.0
163.03993	1.0
163.07661	1.3
165.01973	1.3
165.09154	0.7
166.99869	1.9
167.03505	1.6
168.00645	11.3
169.01425	98.8
170.01753	3.8
170.21858	0.7
173.04613	0.6
177.01945	4.0
179.03467	1.1
181.01419	1.8
181.05145	0.8
183.02945	0.8
191.03535	2.2
193.01355	3.1
207.06612	6.2
209.11705	1.1
211.02473	22.2
212.02774	1.5
217.01404	1.3
219.02843	1.0
223.02559	0.8
227.12994	0.8
229.05157	0.9
241.03651	1.0
255.11438	1.9
271.04578	17.1
272.04977	1.3
279.11438	1.3
285.04037	11.9
286.04395	0.9
313.05634	6.5
331.06891	1.1
423.05740	2.5
448.99866	0.7
465.06842	1.5
478.12741	0.9
483.07834	3.7
493.14944	4.4
511.36108	1.8
521.12872	1.5
521.20245	10.8
522.20667	1.6
583.10803	1.5
597.22864	1.1
635.20215	1.8
637.21039	0.8
641.21741	1.0
673.21674	100.0
673.34534	52.9
674.22003	18.0
674.34875	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	673.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21404	1.1
56.46849	1.1
57.03440	1.3
58.03235	1.1
59.01382	10.8
61.98827	6.7
67.01879	1.2
69.03465	1.2
71.01385	6.6
71.54758	2.2
72.99323	1.3
73.02953	2.9
81.03464	1.9
83.01388	1.5
83.05023	2.5
87.00892	1.7
89.02431	3.0
93.03429	1.3
95.01371	3.4
96.95972	1.2
97.02930	1.9
97.05565	1.1
99.00874	2.1
100.01132	1.1
101.02411	4.2
106.06615	3.9
107.01397	9.5
109.02921	2.7
111.00873	2.7
113.02414	2.9
119.03463	1.6
121.02986	1.1
123.00893	10.0
123.43812	1.1
124.01669	3.4
125.02452	49.8
125.09686	1.1
126.02766	1.5
126.90395	4.1
127.00396	1.5
134.06140	1.9
136.98790	2.0
137.02415	2.8
139.00339	2.5
140.01125	5.1
149.02460	1.2
151.00369	5.4
154.01421	1.4
161.02385	1.3
161.04497	2.1
163.11243	2.8
167.03473	3.0
168.00635	8.4
169.01424	61.7
169.12323	2.2
170.01772	1.9
171.10260	2.5
177.01860	2.8
179.03413	1.2
183.13858	2.1
185.11810	4.4
193.01408	1.9
199.13406	10.4
207.10161	2.3
209.11847	52.3
210.12126	3.2
211.02478	18.8
211.13452	2.2
212.02695	1.9
225.11324	1.8
226.11685	1.2
226.20099	1.2
227.12921	23.4
228.13330	1.5
235.08293	1.8
236.09488	1.2
237.10272	2.0
251.11888	5.4
253.09418	5.1
255.11415	10.8
256.11551	1.2
263.08145	2.7
264.09030	9.7
265.09604	2.8
269.66833	1.3
271.04611	17.9
277.09714	3.2
279.07996	1.8
279.11371	17.0
297.12317	1.7
305.09351	1.9
313.05624	2.3
323.10330	6.2
341.11386	5.6
374.03052	1.6
385.25916	4.4
419.24362	1.7
437.25586	1.3
463.21680	2.5
483.08072	1.7
521.20099	11.9
522.20795	1.3
535.23273	1.6
561.21295	4.9
579.22211	3.8
597.23547	1.5
605.20453	3.9
623.21399	10.8
627.84265	1.3
641.22491	12.2
642.22339	2.0
655.23444	2.1
655.33069	1.7
673.21320	100.0
674.21674	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	673.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.9
61.37603	0.7
67.01897	1.8
69.03457	0.9
71.01374	2.7
73.02936	0.7
78.27460	0.7
79.01892	1.6
81.03455	0.8
83.01382	0.9
85.02943	1.0
89.02440	0.9
89.44356	0.7
95.01408	4.4
96.41094	0.9
97.02947	1.3
101.02466	1.6
101.62843	0.9
107.01386	12.0
111.00878	4.2
112.91789	0.7
113.02431	1.2
116.11195	0.7
123.00887	15.4
124.01665	3.5
125.02450	46.7
126.02750	1.2
127.00349	1.4
136.98814	2.5
137.02452	1.4
139.00392	6.6
140.01172	5.8
141.01886	1.8
150.06842	1.4
151.00372	7.1
163.03989	0.9
166.99844	3.2
167.03519	1.2
167.96609	0.8
168.00659	6.5
169.01425	57.5
170.01796	2.1
177.04016	1.0
211.02490	7.9
253.03673	1.0
271.04581	12.3
313.05621	2.5
327.12076	2.0
463.10486	1.3
478.12540	5.1
493.15045	30.9
494.15195	4.9
511.36490	2.3
521.20282	16.3
522.20685	2.4
673.21368	100.0
674.21698	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30028	0.7
55.91260	0.8
57.03451	1.5
57.77672	0.7
59.01377	8.5
61.29734	0.7
61.79553	0.7
61.98824	4.7
65.00321	0.8
66.98275	0.7
67.01878	2.3
68.92587	0.8
68.99802	1.0
69.03444	2.7
69.27896	3.6
69.28320	2.8
71.01390	7.3
72.99292	1.7
73.02959	1.9
75.00902	1.1
79.01884	2.4
81.03442	1.5
83.01385	2.7
83.05031	1.8
85.02955	3.3
86.71267	0.7
87.00864	1.5
88.98835	0.9
89.02454	2.7
95.01381	5.6
96.96017	2.0
97.02934	2.1
98.92597	0.8
101.02425	3.1
107.01392	17.0
108.01709	1.5
109.02972	1.7
110.00127	1.3
111.00881	6.5
111.04427	0.9
111.27154	0.8
113.02419	3.2
121.02969	1.1
123.00893	20.2
123.04480	1.3
124.01651	2.4
125.02445	94.1
126.02781	4.4
127.00359	1.9
133.02927	0.8
135.04509	1.0
136.05225	0.9
136.98770	2.1
137.02428	1.8
138.01964	1.6
139.00356	8.5
139.03960	0.9
140.01195	7.5
141.01952	1.8
148.05229	1.1
150.03209	0.7
151.00362	12.4
152.00745	0.9
153.02002	1.5
154.99788	1.6
161.02419	0.7
165.01897	0.7
165.09233	1.5
167.03464	2.1
168.00650	11.8
169.01422	100.0
170.01759	5.1
171.10175	0.8
176.90813	0.7
177.01926	1.4
177.04018	1.7
179.07169	0.9
183.04622	0.7
209.11818	24.5
211.02487	12.7
227.12914	5.8
235.08200	1.0
253.03505	1.2
253.09409	1.9
255.03162	0.9
271.04593	16.0
272.04877	1.1
285.03992	6.4
313.05734	3.1
373.26108	1.1
385.22235	1.8
503.19489	5.6
504.19882	1.2
511.16266	2.7
511.34985	1.0
521.20306	31.4
521.28345	1.1
522.20746	3.9
641.21906	1.1
672.33130	12.0
673.21558	95.0
673.34186	74.1
674.21899	18.9
674.34436	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	673.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85966	0.7
56.45258	0.6
59.01380	7.6
59.79097	0.6
60.36736	0.6
61.98820	1.4
63.49485	0.7
65.00330	1.0
66.54724	0.6
69.03424	0.9
69.14868	0.6
69.33178	5.7
71.01380	4.1
72.00932	0.7
72.99305	1.4
73.02946	0.9
83.01385	1.2
85.02959	1.6
87.00878	0.7
89.02440	2.0
93.03446	0.6
95.01373	1.6
99.00900	1.4
101.02423	2.4
107.01401	4.6
108.02195	3.1
109.02940	1.3
111.00874	1.8
113.02425	1.9
115.99309	0.7
118.02082	0.7
119.03534	1.1
121.02921	0.9
123.00874	6.0
123.04461	1.2
124.01650	1.6
125.02457	20.8
126.02864	0.9
127.00335	0.9
137.02432	2.6
139.00359	2.5
140.01109	2.6
141.01959	0.8
149.02406	1.5
150.03197	2.0
151.00359	4.7
152.01163	5.6
153.01884	1.0
154.99886	1.0
163.03938	0.7
165.01918	0.9
165.09128	0.9
166.02684	2.3
166.99733	0.8
167.03429	1.7
168.00661	7.3
169.01431	24.2
170.01677	0.8
176.04739	1.9
177.01936	1.2
178.99832	1.8
183.03053	1.0
193.01387	2.3
206.02214	1.7
209.00995	3.0
211.02477	28.5
212.02884	1.0
222.03889	0.7
241.03392	0.8
271.01865	1.0
271.04614	16.9
272.04712	0.7
297.14972	3.9
307.18991	0.7
315.15927	1.1
316.02185	0.8
317.03006	5.5
323.12814	1.1
341.13876	3.9
411.06717	0.7
477.21478	0.9
485.50317	0.7
521.20258	10.9
522.20551	1.6
655.08868	1.0
673.21411	100.0
674.21698	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	673.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.4
64.25497	1.7
69.03452	2.3
71.55081	2.1
86.12659	1.9
95.50266	1.9
107.01426	1.8
111.52523	1.9
114.76540	1.8
116.95983	2.0
125.01515	2.9
125.02452	58.6
126.02798	3.5
134.00722	2.0
161.02464	3.7
169.01433	100.0
170.01779	4.5
211.02254	2.8
213.96333	4.2
214.96776	1.8
287.05603	2.4
305.06631	4.3
313.05600	2.6
457.07678	7.9
673.22760	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	672.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73611	1.8
58.02970	10.4
59.01379	19.1
61.98832	22.9
71.01370	6.4
71.55822	2.0
72.97523	4.7
73.02924	3.0
74.00678	1.9
74.02464	20.4
75.00851	2.9
80.62727	1.7
82.02975	5.2
83.01363	3.7
83.05028	3.2
85.02940	5.2
86.02458	8.6
87.05634	2.6
89.02437	4.8
93.03457	2.3
95.01382	3.2
96.95996	4.2
97.04048	3.1
99.05638	19.4
100.00411	3.3
101.02423	6.0
101.07134	2.0
102.05570	3.1
106.06603	3.4
107.01381	3.9
109.04086	4.7
111.00900	3.4
111.05582	2.1
112.04002	2.0
113.02421	4.4
116.23769	1.8
123.00851	7.1
123.05556	1.9
125.02457	39.1
125.03403	2.8
126.02721	2.6
127.04025	2.3
127.05122	4.8
128.03543	60.5
129.01993	2.5
130.58452	2.0
135.05612	7.9
136.07660	5.2
138.11676	2.1
139.00325	3.2
139.03969	3.9
140.01151	1.8
143.04622	78.5
145.06125	2.5
146.04581	8.4
150.06851	2.3
151.00296	3.5
151.03893	2.1
153.06725	4.9
154.02246	2.1
161.02412	7.6
161.04507	2.8
163.11317	2.8
165.01979	3.2
166.09789	3.8
167.03384	3.0
167.04651	3.3
167.08192	5.2
169.01413	51.2
170.01796	4.5
170.03233	3.3
178.94170	2.2
179.04626	20.0
179.10782	2.9
181.06128	2.7
185.05597	2.7
197.05629	3.5
199.13351	4.5
201.11334	2.5
207.10184	2.5
209.11842	29.9
210.08818	16.4
211.13527	2.8
225.11229	3.3
227.12868	12.2
228.09871	2.1
253.09480	2.9
254.07809	48.4
255.08058	2.5
257.12878	8.8
258.13278	6.3
267.11325	4.6
268.11716	2.1
272.08868	100.0
273.09106	5.8
286.89258	1.8
291.19577	4.7
313.05673	4.3
330.14819	2.9
342.26886	1.9
358.26651	2.1
436.18683	3.8
437.19147	6.6
451.09033	1.8
475.10864	2.3
475.30490	2.5
510.34842	2.3
520.31549	4.2
521.21741	2.3
521.32867	2.7
543.27490	4.2
552.23181	5.6
578.21552	3.2
595.22620	2.1
596.22388	17.7
628.24707	2.4
640.20972	8.2
654.30737	9.1
671.40454	3.0
672.32086	65.3
672.41211	4.2
673.21600	6.8
673.33063	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	672.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.5
59.01371	6.2
61.98816	11.8
64.00524	2.6
71.01389	5.7
73.02954	4.0
74.02461	3.6
80.18291	2.4
82.27954	2.6
85.02924	3.1
89.02418	3.4
93.03443	3.0
95.01402	2.9
96.96011	4.1
98.26328	3.4
98.79501	2.7
107.01385	5.5
118.95621	2.5
125.02444	36.6
126.02777	4.6
137.02402	6.1
138.88426	2.5
151.00362	14.0
151.03683	3.1
157.23320	2.8
161.02405	4.0
166.67792	2.7
167.03496	3.9
169.01418	36.6
170.01733	4.4
177.02043	3.2
178.99834	4.4
179.03444	4.4
193.04965	3.6
203.08260	4.7
243.03058	5.8
245.09248	10.5
255.02930	18.6
271.02466	45.7
272.02859	5.5
287.05362	3.3
300.02725	81.2
301.03510	42.0
316.02164	4.2
317.02832	3.5
413.05157	3.0
439.06323	3.3
447.09250	12.3
497.16669	3.0
498.16260	5.1
520.11395	8.0
609.14606	100.0
610.14819	13.8
672.21777	4.8
673.22369	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	12.4
59.01372	4.0
71.53189	4.2
83.01387	3.7
90.71391	3.2
93.03458	4.7
97.02949	4.1
109.02923	15.0
115.55479	2.7
121.02937	7.7
123.00905	5.2
125.02448	100.0
137.02455	26.7
137.98535	3.0
139.04010	10.8
141.90665	2.7
143.21260	3.0
149.02455	8.1
151.03969	6.7
164.01192	4.3
165.01909	14.6
167.03448	11.1
169.01440	8.2
175.04016	9.0
177.01938	66.7
178.02325	4.5
179.03430	8.4
187.03963	4.2
191.05562	4.8
191.07214	3.4
217.05092	5.4
219.06578	9.9
221.04468	3.5
222.11490	3.2
243.02863	6.1
255.02914	21.6
256.03598	8.5
257.04410	4.5
261.04083	4.7
269.04474	4.1
273.04037	6.1
283.02460	15.6
285.03989	6.8
286.93408	3.1
291.14139	3.0
297.03940	7.4
299.02097	3.7
301.92065	3.5
303.05054	9.9
305.06674	60.9
423.07178	94.5
424.07458	8.5
441.08249	63.2
442.08356	4.1
483.09091	10.5
609.12842	31.3
672.16083	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87746	0.6
55.01865	1.0
57.03431	1.8
59.01381	10.0
61.98834	7.5
67.01891	0.9
69.03443	1.5
69.27496	4.3
69.27908	1.4
71.01382	9.4
72.99295	2.0
73.02933	2.1
75.00861	1.4
79.01890	0.9
81.03445	1.7
83.01380	1.3
85.02948	4.7
87.00874	2.2
88.98781	1.0
89.02433	2.5
93.03452	1.9
95.01387	3.5
96.96036	3.5
97.02932	1.2
99.00878	1.5
101.02443	2.8
107.01391	9.4
107.04986	0.8
108.02183	5.6
109.02948	14.1
110.00031	0.8
111.00880	4.8
113.02440	2.9
116.92884	0.8
119.04957	1.0
121.02940	1.4
121.06641	0.7
123.00881	16.5
123.04501	0.8
124.01650	2.0
125.02448	41.0
126.02769	1.8
127.00352	1.9
135.04527	1.0
135.08165	0.7
136.05307	1.3
136.98788	3.2
137.02396	2.2
139.00371	8.0
140.01190	6.8
141.01903	2.7
149.06036	0.8
150.06834	3.1
151.00366	13.1
151.03862	1.3
152.01157	6.4
153.01932	11.0
153.05569	1.5
154.99850	0.8
161.02405	1.0
161.04532	0.8
163.04076	1.6
163.07588	1.3
164.01176	1.1
165.09212	1.0
167.03481	1.1
168.00607	7.7
169.01421	45.6
170.01735	1.6
171.10248	1.8
177.01950	1.1
177.03926	1.1
179.10744	1.7
191.03525	1.6
201.11296	1.7
203.03375	1.0
204.04266	1.5
207.10266	2.2
209.11806	4.1
211.02438	2.0
225.11353	2.5
227.12680	1.0
271.04486	1.5
301.03448	2.3
313.05554	2.8
316.02213	0.8
321.20697	1.6
339.15985	1.8
339.97952	0.8
371.24319	1.5
373.25916	3.4
375.27505	2.3
461.20193	0.9
483.18716	19.7
483.25351	0.7
484.18823	2.8
508.33890	1.1
509.35046	3.5
519.22467	3.8
531.57648	0.8
595.22626	1.0
608.28497	1.2
635.19775	47.9
636.02075	0.8
636.19989	9.1
639.22571	0.9
653.32141	1.0
671.22992	4.1
671.32745	100.0
672.23151	1.2
672.33179	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	671.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79043	1.6
55.25171	1.4
57.03444	1.8
57.31576	1.6
59.01373	9.6
59.53840	1.6
61.98830	4.6
67.85732	1.4
70.61262	1.4
70.93324	3.4
78.95902	2.2
80.05062	8.6
85.02977	2.5
96.12610	1.5
96.95957	2.0
101.02441	1.6
104.05066	9.1
106.06632	17.0
107.01364	2.9
107.99313	1.9
108.04547	18.3
113.02428	3.1
115.36669	1.6
123.00867	4.0
124.07672	8.8
125.02451	11.7
130.06691	3.1
132.04533	5.1
134.06126	4.5
136.06720	3.0
136.07684	35.7
148.04054	9.2
150.05595	4.4
150.06810	1.4
150.99026	1.5
151.00394	2.9
151.07576	2.1
158.06055	2.3
160.04037	3.5
160.07666	13.7
161.04684	1.6
165.01962	1.9
168.00540	2.0
169.01416	12.1
174.05576	6.6
177.01924	2.5
178.05176	1.8
190.05093	1.6
207.10138	2.8
209.11848	6.1
210.07944	2.5
211.08702	2.9
214.12265	2.4
223.08777	3.9
223.12306	2.3
224.09480	10.4
225.10149	15.7
227.08133	2.0
228.09108	2.0
234.07983	3.4
237.10190	2.0
239.11827	10.9
241.09700	4.9
242.10510	2.2
249.10271	7.7
250.07549	4.1
251.08186	10.5
252.08850	2.8
255.11375	4.2
257.12943	91.3
258.13248	5.1
265.09769	7.2
267.11368	43.0
268.11728	4.4
271.04382	2.0
293.09097	8.3
295.10922	3.9
301.11990	2.0
311.10349	15.7
315.17581	2.1
339.86392	1.8
357.26361	3.2
390.18381	2.3
436.18774	47.5
437.19028	3.9
438.79398	2.0
444.19244	3.0
483.24033	5.7
489.23215	2.6
509.21417	2.8
519.31616	6.2
533.21887	2.3
551.22986	33.1
552.23529	4.2
577.20782	8.4
595.21991	100.0
596.22156	19.7
608.16687	4.9
611.37811	2.0
627.24670	8.4
627.37006	1.7
628.69287	1.8
639.20892	45.7
640.21118	6.1
671.23315	46.0
671.32959	24.2
672.23303	7.6
672.33282	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	671.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26591	1.1
53.27662	1.2
57.03187	2.0
57.03444	19.5
59.01377	22.1
70.26840	4.3
70.27190	1.6
71.01377	3.2
73.02944	2.1
85.02943	5.6
96.08061	1.4
96.95980	1.5
97.00977	1.2
98.52388	1.2
99.04504	3.9
109.06573	13.3
111.04512	5.5
123.00867	1.9
123.04488	1.5
123.08153	2.1
125.02467	7.9
130.08737	2.8
135.08159	20.3
137.09724	12.9
138.06836	3.4
149.09695	4.0
153.09207	6.1
163.11279	8.9
167.03484	9.2
167.10783	11.7
169.01416	9.0
173.47615	1.2
177.09193	24.0
191.10771	5.3
191.58382	1.2
193.12331	100.0
194.12622	5.0
197.24356	1.2
211.13387	37.5
212.13820	1.6
217.12332	6.4
235.13374	22.5
253.14423	17.9
255.12354	2.9
267.07147	2.1
278.38953	1.4
297.13412	10.5
313.05621	1.6
373.11188	1.9
415.12381	3.4
453.10257	5.3
454.10736	9.2
455.10791	1.9
537.93152	1.4
608.86090	1.3
671.22961	1.4
687.06305	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	671.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
57.03439	1.6
58.00586	1.4
59.01377	14.0
67.01881	2.0
69.03451	2.6
70.95983	2.6
71.01382	18.7
72.99316	2.3
73.02950	5.2
75.00850	3.2
79.01840	1.2
81.03452	2.4
83.01384	3.2
83.05017	3.8
85.02943	9.4
87.00874	3.7
89.02448	5.8
93.03454	15.1
95.01364	1.7
97.02934	2.2
99.00835	1.8
101.02435	8.4
107.01389	10.0
111.00874	2.6
111.04505	16.1
113.02441	7.2
119.03493	2.8
121.02933	4.4
121.10239	3.0
123.00883	4.0
124.01694	1.7
125.02446	70.6
126.02756	1.8
127.03952	2.6
129.01936	2.0
137.02449	9.0
139.00336	3.3
140.01164	2.6
143.03699	1.1
151.00356	3.7
155.03496	21.5
159.03001	2.1
161.04503	1.7
167.10732	1.6
168.00575	2.4
169.01418	98.1
170.01743	3.1
172.36766	1.1
173.04552	24.9
177.04059	8.1
191.05563	5.1
211.02379	4.4
245.04391	1.8
267.45181	1.1
271.04446	1.7
284.71539	1.2
307.04333	2.5
325.05630	20.9
329.04871	2.2
343.06744	2.2
345.15524	10.7
371.55054	1.4
453.18195	1.7
493.17654	1.3
497.16620	25.2
498.16843	2.8
501.19824	10.9
519.21112	6.2
577.40222	1.2
581.11847	5.6
671.21808	100.0
672.22272	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	671.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.2
61.98824	12.4
69.28363	16.0
71.01389	8.8
72.99293	2.4
75.42945	1.6
81.03469	1.8
82.22406	1.6
83.01401	2.8
83.05044	1.8
85.02954	3.7
89.02438	3.2
95.01385	3.2
96.96024	2.9
97.02940	1.8
99.00900	1.7
101.02492	3.0
106.39952	1.8
107.01389	9.9
109.02990	3.1
111.00876	5.9
113.02438	4.6
123.00899	15.1
123.04534	2.5
124.01694	3.8
125.02445	43.1
126.02826	1.7
127.00396	2.0
136.98811	3.4
137.02388	3.0
139.00363	6.8
140.01155	8.0
141.02023	2.3
149.06007	2.6
150.06781	3.0
151.00421	14.2
152.01132	3.2
153.01930	3.8
163.07660	1.9
168.00626	8.1
169.01422	51.0
170.01735	2.7
179.72183	1.7
183.05089	1.8
209.11832	4.9
211.02493	2.3
216.02002	1.7
253.04649	1.7
262.53897	1.7
313.05627	4.6
352.27200	1.6
373.25980	2.0
483.18616	39.8
484.18973	5.2
509.34460	5.6
635.19800	100.0
636.20197	15.0
671.22021	4.1
671.32581	54.7
672.33209	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	671.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79877	0.7
69.29517	0.7
69.98695	2.1
69.99099	1.6
72.94737	0.7
73.03610	0.8
78.74829	0.8
86.23247	0.7
98.20575	1.0
111.00874	2.0
114.78962	0.8
124.01660	1.2
125.02412	1.8
138.39677	0.8
139.00385	1.2
140.01122	2.5
168.00662	5.3
169.01443	3.7
183.02974	100.0
184.03311	4.4
191.05756	1.0
335.04092	12.3
336.04541	0.9
383.54889	0.8
495.07623	0.9
562.83636	1.0
673.31989	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	2.0
59.01382	16.1
61.98830	48.7
64.65928	1.3
71.01373	8.5
72.99310	2.8
73.02955	1.4
79.62819	1.2
81.03455	1.2
83.01392	2.1
85.02943	4.4
87.00857	2.5
88.98792	1.4
89.02455	2.4
95.01382	3.6
97.02927	1.8
101.02424	4.5
105.07050	1.3
107.01376	6.7
107.05048	1.9
109.02911	1.5
111.00873	4.1
113.02467	2.8
121.02985	2.2
123.00887	18.3
124.01751	1.5
125.02453	29.7
126.02810	1.6
127.00432	1.5
135.08226	2.1
136.98859	2.6
137.02412	2.1
139.00372	6.3
140.01131	5.4
149.09706	1.4
150.06764	1.7
151.00354	11.7
151.04034	1.4
151.07614	2.1
154.99805	1.4
166.99812	1.4
167.03520	2.1
168.00647	9.4
169.01437	27.5
170.01788	2.2
177.01918	2.3
179.10837	1.3
203.93234	1.4
207.10213	1.7
209.11855	2.8
211.02495	3.7
221.08096	1.6
225.07756	3.4
225.11337	4.6
227.12846	1.7
271.04568	3.0
278.58423	1.3
286.46988	1.4
313.05719	2.9
357.26364	1.7
402.11655	3.9
403.12112	7.6
459.18811	8.0
465.32825	1.3
507.33420	1.9
508.26340	2.3
508.33487	1.8
533.13013	3.9
607.20294	100.0
608.20709	17.4
610.36902	2.1
667.49353	1.5
669.29108	2.3
669.40149	6.2
670.31531	7.2
671.21436	1.8
671.32703	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	670.199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18226	1.2
54.16660	1.4
59.01385	10.7
61.98832	35.0
70.10124	3.4
71.01379	6.2
71.05014	3.7
74.42683	1.4
75.09463	1.5
79.01868	1.5
81.03500	1.9
83.01383	1.6
85.02939	3.1
87.00902	1.4
89.02427	2.3
95.01389	3.8
96.96045	1.5
97.06580	1.6
98.20689	2.0
99.00873	2.5
101.02459	3.6
107.01378	4.1
109.02194	1.3
111.00879	2.8
113.02470	3.8
116.92904	1.3
119.64151	1.5
121.02937	4.2
121.06604	1.5
123.00895	16.0
124.01649	2.5
125.02437	22.5
125.09758	2.4
126.02759	1.9
134.03732	4.5
135.08157	1.5
136.05295	4.1
136.98784	2.8
137.02403	1.6
139.00359	6.5
140.01180	2.8
141.01891	2.1
149.06041	1.7
151.00377	9.0
154.01437	1.5
165.09190	2.9
168.00662	7.6
169.01419	23.9
177.02042	1.5
207.10216	6.1
208.10732	1.4
209.11885	11.8
211.02409	1.5
221.08212	3.1
225.11320	7.3
227.12901	3.2
253.09175	1.3
313.05112	1.5
329.23117	1.6
385.11398	4.7
402.11374	3.5
403.12399	5.2
459.18658	5.3
491.26889	1.5
495.33206	4.1
533.13031	5.6
607.20337	100.0
608.20801	14.4
609.35693	2.5
627.37518	2.2
653.31866	3.4
669.38452	6.1
670.29669	2.9
670.40784	8.3
671.32196	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	669.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03500	2.3
59.01443	6.4
61.98894	6.1
63.02441	0.8
65.00352	1.6
67.01958	0.8
69.03493	1.0
69.51454	4.1
69.51878	1.5
71.01453	5.0
72.99355	1.7
73.03004	1.6
76.63324	0.7
79.95755	0.9
80.74359	0.8
83.01469	2.2
85.02949	3.8
87.00944	1.6
89.02530	2.1
90.87808	0.8
91.01938	0.9
93.03522	1.5
95.01468	1.2
96.96088	3.2
97.02988	1.2
99.00925	1.6
101.02545	2.4
107.01388	6.9
108.02268	2.5
109.03046	2.9
111.00997	0.9
111.04585	1.0
113.02430	4.1
116.92942	1.0
121.03027	3.2
123.00975	3.1
123.04572	1.0
124.01752	1.0
125.02448	37.7
126.02770	1.1
134.03848	1.2
135.00996	1.2
137.02525	2.7
139.00424	0.9
139.04068	1.2
147.00969	0.7
148.01720	1.8
149.02496	1.5
150.03319	0.9
151.00378	15.8
151.04033	1.0
152.01213	1.2
155.03601	1.0
159.04538	0.9
161.02541	3.3
163.00450	2.7
163.03978	1.1
164.01175	1.5
164.04709	1.0
165.01949	1.9
167.00023	0.8
167.03580	3.4
168.00737	1.8
169.01422	54.6
170.01906	1.4
173.04649	1.7
175.04172	1.0
176.01149	1.6
177.02025	2.4
178.99872	6.6
179.03500	1.2
187.04115	0.8
190.02742	1.4
191.03531	2.3
193.01454	2.1
193.05099	0.9
199.04027	1.5
201.02089	0.9
201.05595	1.5
211.02385	1.6
215.03477	2.0
216.04286	1.0
226.02724	1.3
227.03432	3.7
229.01541	1.2
229.05046	0.8
243.02936	12.4
244.03387	1.1
245.04567	1.3
249.06075	1.1
254.02229	2.5
255.02983	31.5
256.03409	2.1
257.04892	0.8
267.07217	2.7
271.02463	64.7
272.03015	5.5
273.04169	0.9
299.02036	2.7
300.02740	100.0
301.03470	48.3
301.06226	0.9
302.03891	3.0
305.06668	2.9
313.05615	1.1
314.04218	1.7
315.05106	2.8
319.04541	7.8
323.07602	1.1
329.23480	1.5
343.04459	1.1
353.08737	1.9
357.26324	1.1
373.25735	0.9
375.27362	2.2
389.25183	1.0
457.07715	5.2
463.08810	50.4
464.09109	5.3
477.10309	5.1
478.10010	0.9
501.09985	1.1
507.27750	1.4
517.19159	3.2
535.31128	1.1
536.31140	3.1
537.32654	10.0
607.11011	1.0
633.17560	2.5
668.34674	1.1
669.14008	46.8
669.35590	5.3
670.14825	9.5
692.74280	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
59.01371	3.5
61.98838	0.8
67.01900	1.0
69.03459	1.2
71.01375	2.8
71.52522	1.3
73.02934	1.1
75.00869	1.2
80.40069	0.7
81.03457	0.9
83.01382	0.9
85.02963	1.8
87.00874	1.7
87.50089	0.7
89.02461	1.9
93.03445	1.0
95.01406	1.7
96.96004	2.5
97.02939	1.3
99.00860	1.2
101.02482	1.1
105.03442	2.7
107.01421	1.1
108.02182	3.2
109.02960	3.8
111.00870	0.8
111.04475	1.1
113.02479	1.6
116.92898	1.1
119.03509	0.7
121.02959	1.3
123.00867	1.9
124.01695	0.8
125.02444	55.6
126.02766	1.7
133.02966	1.7
135.04475	1.0
137.02454	2.8
139.04024	3.2
145.02916	0.7
149.02483	0.7
151.00357	0.9
151.04018	0.8
152.01140	0.8
161.02432	26.1
162.02779	1.3
167.03484	1.7
168.00607	0.6
169.01414	100.0
170.01793	2.6
173.04544	0.9
175.03986	1.1
177.01917	14.3
179.03467	1.1
185.51514	0.6
189.01924	6.4
190.02536	1.0
191.03453	0.8
193.01411	2.0
204.20770	0.7
216.00662	1.0
217.01419	12.1
218.01688	0.9
218.06407	0.7
219.02893	0.8
231.02917	2.0
238.55643	0.8
244.03513	1.0
257.04538	1.1
258.05234	1.0
259.06146	2.4
271.06281	0.8
284.03333	1.1
285.04056	1.5
286.04626	1.7
299.05756	1.1
301.03668	1.3
301.07156	23.5
305.06662	0.9
313.07117	1.6
321.04044	1.2
341.06705	7.1
357.06198	3.3
371.07706	1.1
445.09381	1.8
458.92889	0.8
463.10345	15.5
464.10416	1.7
481.11328	19.0
482.11807	2.1
507.09396	2.0
536.31506	1.9
537.32397	1.1
633.12665	4.5
668.35370	2.1
669.22437	3.9
669.34033	2.9
670.22955	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65107	0.3
57.03462	0.6
57.64579	0.3
59.01371	2.0
61.98821	1.2
69.03453	1.8
69.29257	2.2
69.29666	0.9
71.01392	1.0
72.99323	0.4
75.00871	0.5
81.03472	0.7
83.01410	0.5
85.02940	0.6
89.02463	0.4
95.01383	1.0
96.96000	1.3
97.02965	1.4
98.19949	0.8
99.00903	0.5
101.02462	0.7
105.01954	0.3
105.03457	1.0
107.01389	1.2
108.02162	1.1
109.02963	2.1
111.00925	0.4
111.04539	0.5
113.02424	0.6
113.42591	0.3
119.05026	0.4
123.00890	1.4
123.04506	0.6
124.01653	1.2
125.02446	52.4
126.02767	1.5
133.02953	0.8
137.02431	0.9
139.04002	1.4
145.03014	0.6
149.02455	0.6
151.00391	0.8
161.02438	7.8
165.01932	0.4
166.99817	0.9
167.03473	2.0
168.00702	0.8
169.01419	100.0
170.01764	3.5
175.03931	0.6
177.01895	6.3
178.02396	0.4
189.01945	3.2
190.63719	0.4
193.01379	3.3
194.99323	0.4
216.00597	0.4
217.01410	5.1
218.01723	0.5
231.02951	0.6
241.05057	0.4
243.02980	0.7
244.03700	0.7
246.38583	0.4
258.05280	0.4
259.06149	2.7
269.04340	0.6
271.02441	1.2
273.07877	0.4
285.03934	0.6
298.04581	0.4
300.02649	2.0
301.03690	0.8
301.07153	10.3
302.07523	0.9
305.06281	0.4
313.06812	0.6
319.04492	0.9
341.06561	2.5
357.06097	3.4
371.07516	0.5
463.10266	5.3
464.10699	0.9
481.11450	9.1
482.11688	0.7
507.09161	2.4
536.31451	1.3
625.11768	1.3
633.12085	2.9
634.12634	0.6
668.36737	0.6
669.23438	1.2
669.36304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31926	0.7
56.47438	0.7
61.98831	100.0
71.01373	0.7
75.02107	0.6
78.95901	0.8
84.37518	0.7
99.44308	0.8
109.31510	0.7
171.10287	12.0
172.10643	1.6
238.47574	0.7
277.21722	7.8
278.22104	2.4
359.89108	0.8
376.43213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.9
62.68254	3.2
67.01910	3.4
68.99813	4.9
69.51851	22.0
71.01381	11.3
72.99296	3.6
73.02943	8.5
73.52081	3.1
75.23705	3.5
78.71896	3.0
83.01394	6.2
85.02964	7.4
87.00877	6.6
91.13355	3.4
95.01374	7.0
96.96004	14.6
98.19859	4.4
107.01382	9.4
111.00868	7.0
113.02438	6.7
123.00885	14.8
124.01653	9.4
125.02454	86.2
126.02846	5.6
128.03636	3.2
137.02440	3.8
139.00394	3.4
140.01160	3.9
143.24023	4.0
151.00381	11.5
166.99797	3.4
167.03535	4.1
168.00587	9.5
169.01425	85.6
177.01941	7.6
206.26607	3.0
243.03160	3.3
282.31186	3.4
313.05594	11.9
350.93759	3.5
453.10028	16.2
491.94208	3.5
507.21085	4.2
597.35590	3.3
605.11407	100.0
606.11700	20.0
667.18976	4.1
669.19818	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	667.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.3
59.01380	16.5
61.98825	25.4
65.00305	3.0
65.61266	3.0
67.01860	2.8
69.17519	10.4
69.17945	17.4
71.01395	12.1
71.33060	2.4
72.99274	2.9
73.02927	3.2
75.00856	4.7
83.01368	3.6
85.02930	4.1
87.00844	4.5
88.98795	4.0
89.02421	5.8
95.01372	8.1
96.92473	2.5
96.95994	9.9
97.02885	2.9
99.00831	2.6
101.02429	7.6
102.79120	2.6
107.01347	11.2
111.00880	13.5
113.02431	6.1
116.93703	2.3
119.04960	2.7
123.00896	20.9
123.04519	2.6
124.01660	3.3
125.02435	60.5
127.00392	3.0
132.36534	2.5
136.98750	8.1
137.02406	4.2
139.00354	15.4
140.01143	16.7
145.02928	8.2
150.06816	3.5
151.00314	8.5
151.03947	3.9
153.01869	3.3
154.46436	3.2
163.03941	5.6
166.99770	3.6
167.03500	2.9
168.00623	30.0
169.01418	60.1
170.01640	2.4
177.01930	3.0
179.10791	4.2
185.11731	3.8
211.02356	4.4
211.82602	2.5
219.76335	2.3
271.04449	3.1
289.07111	2.8
313.05594	21.1
353.23486	5.2
373.25919	4.6
442.24591	2.4
453.15311	2.7
462.19061	2.9
487.23074	10.8
505.24570	51.5
505.31757	6.8
506.24399	6.0
545.73712	3.2
557.28680	2.3
624.92664	2.6
667.29382	100.0
668.29730	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	667.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97903	0.7
59.01377	38.8
61.98813	1.1
67.01865	0.7
71.01378	2.9
73.02926	1.0
75.00876	1.5
85.02937	1.5
87.00854	0.8
93.03487	1.1
96.96014	2.1
98.20711	1.4
99.08151	15.6
101.02441	2.4
113.02443	2.1
119.05006	1.3
123.04494	2.5
125.02444	14.4
127.07635	10.0
135.03035	0.8
145.08702	100.0
146.09026	3.3
150.03021	0.8
161.02428	2.7
162.02751	1.1
167.03459	7.8
169.01428	11.8
170.01762	2.1
177.01945	1.5
187.09760	47.3
188.10086	2.4
205.81851	1.0
224.74275	0.8
229.05193	1.0
266.01035	0.8
271.06119	1.8
272.06409	1.0
273.07648	13.4
274.08069	1.0
282.15973	0.8
374.06860	0.9
434.09735	0.9
435.12921	1.7
535.31415	2.0
549.29688	1.6
667.21350	3.5
667.31946	3.8
668.34430	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.8
57.05170	4.2
59.01372	36.9
59.51197	3.2
60.33136	3.3
61.98824	15.0
63.08825	3.2
64.04549	3.3
64.61511	3.5
69.03444	5.7
71.01379	13.1
71.52535	5.4
72.99305	8.5
75.00867	9.6
81.03477	4.2
85.02946	14.1
87.00886	10.0
89.02431	9.2
94.02965	7.3
95.01395	8.5
96.96005	15.3
99.00880	6.2
101.02443	6.0
101.30527	3.3
107.01420	12.7
109.02937	7.1
111.00906	3.5
113.02445	15.1
115.00308	3.8
123.00902	18.2
125.02444	71.5
126.02763	4.5
139.00333	7.5
140.01186	6.9
150.03281	4.4
151.00381	13.9
151.53352	3.2
153.14909	3.5
165.03999	8.5
168.00639	10.1
169.01421	95.2
170.01740	7.7
175.02400	4.6
177.01979	4.9
211.02563	5.8
225.14935	3.1
238.16219	3.3
243.91499	3.5
249.06139	8.1
267.07266	10.8
301.03049	3.6
306.97119	3.5
313.05679	4.5
316.02176	5.8
362.77286	4.8
398.25162	4.0
451.12311	34.1
452.12842	5.1
499.17831	3.7
515.17596	7.4
517.19464	6.2
518.19318	22.6
519.20459	8.2
603.13489	100.0
604.13855	15.4
605.25763	3.7
666.23853	7.5
667.18170	34.7
667.28528	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	666.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24541	0.3
55.01862	0.3
57.03445	0.9
59.01379	2.0
61.98831	4.8
69.03445	1.8
71.01385	1.3
71.53721	0.5
71.54094	0.4
72.99332	0.3
73.02966	0.8
78.04037	0.3
79.01903	0.4
81.03473	0.7
83.01396	0.9
83.05003	0.3
85.02968	1.1
89.02466	0.6
93.03462	0.7
95.01399	1.0
95.04996	0.4
96.96024	0.8
97.02954	1.4
99.04515	0.3
101.02458	0.9
105.03477	0.8
107.01391	0.7
108.02188	0.5
109.02964	2.3
111.04532	0.4
113.02452	1.0
116.88461	0.3
119.05036	0.3
121.02986	0.6
123.00885	1.2
124.01662	0.6
125.02446	58.5
126.02791	5.4
133.02980	0.4
137.02444	1.3
139.00299	0.5
139.03996	1.6
145.02911	0.5
149.02441	0.4
151.00412	0.5
158.56061	0.3
161.02449	6.7
161.06090	0.4
162.02863	0.6
163.03983	0.4
165.01949	0.9
166.99881	0.7
167.03491	1.9
168.00580	0.6
169.01422	100.0
170.01767	8.4
171.01923	0.7
177.01932	5.2
177.05490	0.5
179.03477	0.4
184.23286	0.3
189.01939	2.7
190.02446	0.6
193.01372	3.4
194.01787	0.5
201.11414	0.3
216.00684	0.6
217.01422	4.5
219.02979	0.3
219.06488	0.5
229.05084	2.5
231.02879	0.7
241.04961	0.4
243.06779	0.5
259.05981	0.6
260.06406	0.4
267.06863	0.4
269.04504	0.9
271.06143	6.1
272.06656	0.3
283.06107	0.8
295.06140	0.4
305.06696	2.0
306.06958	1.7
311.05554	1.4
312.05823	0.3
319.04663	1.2
321.03986	0.3
333.09814	0.8
334.10104	1.2
357.06125	3.0
358.06564	0.4
398.32797	0.3
433.09238	3.3
434.09851	0.3
451.10312	6.3
452.10370	0.6
477.08408	2.0
481.11404	0.8
482.11261	1.6
497.53583	0.3
513.13837	0.3
514.14362	0.7
533.29706	1.4
534.30536	0.5
535.30859	0.5
603.11255	2.7
604.11578	0.5
665.29364	1.3
666.30524	0.9
667.19958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01380	3.6
59.27745	0.3
61.98831	5.8
65.00323	0.4
68.99838	0.3
69.03457	1.8
69.18228	3.3
69.18634	1.1
71.01392	1.9
71.74007	0.3
72.99309	0.7
73.02943	0.7
75.00878	0.8
78.95932	0.4
79.01871	0.4
81.03459	0.9
82.70734	0.3
83.01398	1.3
85.02960	1.9
85.48342	0.3
86.37009	0.4
86.60204	0.3
87.00902	0.4
89.02462	1.2
93.03463	1.0
95.01392	1.1
95.05035	0.5
96.96004	0.9
97.02973	0.9
99.00876	0.7
101.02435	1.3
105.03475	0.6
107.01373	0.9
108.02167	0.6
109.02962	1.9
111.04510	0.4
113.02453	1.5
116.92921	0.4
119.04993	0.8
123.00843	1.9
124.01708	1.2
125.02451	53.1
126.02787	4.0
133.02924	0.7
137.02472	1.2
139.00410	0.4
139.03992	1.5
145.02943	0.6
149.02466	0.7
151.00290	0.4
152.01129	1.1
161.02452	5.0
161.06064	0.4
162.02802	0.5
163.04034	0.7
165.01900	0.7
166.99838	0.7
167.03474	1.7
168.00699	0.6
169.01427	100.0
170.01764	8.0
171.01881	0.8
177.01936	5.3
177.05513	0.4
178.02309	0.7
179.03540	0.4
189.01955	2.7
190.02426	0.4
192.04237	0.4
193.01399	2.9
195.06654	0.4
217.01476	3.0
218.01784	0.5
229.05003	2.2
255.02872	0.4
259.05975	0.6
269.04568	0.7
271.06137	5.6
283.06177	0.7
305.06680	1.8
306.07007	1.0
311.05682	2.1
319.04517	1.0
333.09583	0.6
334.10248	0.5
357.06171	3.2
358.06448	0.6
371.24329	0.7
433.09290	3.7
451.10336	5.9
452.10583	0.7
477.08273	1.9
482.11591	0.9
489.10919	0.4
490.10852	1.0
514.13751	0.7
533.29633	2.3
534.29742	1.2
535.31732	1.7
603.11462	2.3
604.11267	0.4
634.27545	0.4
665.29578	2.2
666.29297	1.6
667.20581	1.3
667.36255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	7.5
65.07491	1.7
69.03445	1.6
71.01380	3.5
71.32175	3.5
71.46364	1.7
72.99289	1.6
75.00868	2.8
82.02977	5.0
85.02927	2.7
85.54948	1.7
87.00867	2.5
94.02985	67.2
94.06625	1.9
95.03270	1.7
95.05023	2.5
96.04546	5.3
96.95996	3.1
105.05794	2.4
108.04546	5.3
110.06115	12.0
113.02438	4.2
113.09654	1.6
119.37516	1.7
120.08192	61.4
121.05330	1.8
121.08496	2.9
122.06128	23.7
123.00826	2.1
125.02457	17.4
134.06158	2.5
136.03946	1.9
137.04834	2.6
138.04556	2.3
138.05609	33.9
144.04572	11.3
150.05576	2.0
151.00380	1.7
152.07147	3.1
160.04099	1.7
164.07175	4.0
165.01935	1.7
166.07365	1.7
167.03577	1.7
169.01419	15.9
173.04750	2.0
174.05582	8.5
177.01781	2.1
188.03554	2.6
203.05913	11.1
215.11853	5.1
223.08762	4.8
225.13977	2.4
236.09521	4.7
237.10320	7.2
238.10959	3.3
239.11850	2.5
249.10242	5.1
250.07460	2.6
250.11107	4.0
251.11876	41.7
252.12466	6.2
253.09883	2.4
254.10791	1.8
261.12393	3.6
263.08167	7.1
263.11832	6.8
264.08975	7.8
264.12277	1.9
265.09747	3.9
265.13397	10.2
266.10547	2.9
266.13446	1.9
267.07321	3.4
268.08182	2.0
276.08984	7.3
277.09760	40.6
278.10504	10.1
279.11417	9.5
281.09308	4.4
281.12701	2.4
282.10071	4.4
283.10724	5.2
291.11417	47.3
292.12125	56.6
293.12875	43.7
294.13419	6.6
295.10843	3.3
296.07977	1.8
303.13437	3.8
310.09454	1.8
313.11728	2.7
315.04971	8.0
319.10709	2.6
324.11212	11.2
325.11877	4.9
335.10373	16.8
336.11160	18.7
337.11819	12.9
343.13043	5.8
345.15088	1.7
346.15518	5.0
358.15591	2.3
360.17133	5.4
372.17139	9.7
374.14819	4.7
374.18774	5.9
386.14786	2.4
388.16522	6.5
390.18179	6.6
402.17996	5.2
403.18536	1.9
406.17560	3.6
414.18359	11.9
415.18939	3.2
418.17737	11.4
432.19299	12.9
436.18597	3.8
446.16754	2.5
447.17896	3.5
450.20047	4.0
458.17035	6.6
459.18018	12.1
469.22668	3.3
476.18222	31.4
477.18900	20.0
478.19925	9.5
490.19650	11.7
496.21243	2.2
508.20871	100.0
509.20944	12.3
511.23605	5.5
529.24829	9.0
553.24683	4.4
555.22443	7.5
556.22815	2.3
571.25842	10.7
573.23462	35.3
574.23883	5.5
585.23840	2.7
587.25305	11.1
589.26685	2.0
597.23334	7.5
603.24677	3.5
605.26202	66.9
606.26373	14.8
615.24561	43.9
616.24707	7.2
629.26465	9.2
633.25598	79.4
634.26202	15.3
647.27313	39.5
648.27441	5.7
665.28607	42.9
666.28375	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	22.8
59.01380	40.6
71.01377	17.0
71.52078	6.1
75.00882	3.3
76.90057	2.9
85.02941	11.8
89.02444	8.2
96.95989	10.7
101.02417	8.3
109.06593	14.2
111.04473	7.5
113.02450	6.5
119.03519	6.7
121.03013	3.0
125.02452	21.0
127.94764	3.4
135.08139	16.7
137.02455	4.8
137.09688	10.6
138.06825	5.2
149.09686	3.3
153.09204	7.3
154.38000	3.1
163.11327	9.1
165.23267	3.4
167.10730	7.8
169.01468	19.4
177.01903	5.3
177.09190	24.7
183.94649	3.2
193.12332	100.0
209.03018	9.4
209.06613	8.5
211.13414	35.2
235.13342	24.2
253.14522	20.3
255.12387	3.6
297.13385	9.3
301.41150	3.4
321.06253	5.2
323.13489	46.0
354.14606	6.2
361.04004	5.3
361.07898	4.2
361.69385	3.4
460.18686	3.6
513.09692	3.3
526.65668	3.8
666.22815	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	665.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.4
59.01391	11.7
61.98825	6.6
67.01891	2.2
69.21019	17.9
71.01378	8.4
73.02960	3.3
73.87189	1.6
80.36211	1.8
82.02998	2.4
85.02960	3.8
87.00881	2.8
89.02419	3.4
94.02988	21.0
95.01369	2.4
96.96002	6.6
98.19872	4.1
99.00884	15.1
101.02469	4.3
107.01373	5.6
110.06151	3.4
111.00855	2.6
113.02416	5.5
119.66467	1.9
120.08186	16.7
121.03041	1.9
121.05328	1.9
122.03716	2.2
122.06081	4.4
123.00874	10.3
124.01757	2.2
125.02455	40.1
126.02778	2.2
136.98857	2.0
138.05595	10.1
139.00386	5.4
139.03931	1.9
140.01181	2.1
144.04515	3.8
150.03252	4.0
150.05583	2.0
151.00343	3.6
161.02393	3.3
164.07251	1.8
167.03546	1.7
168.00604	5.0
169.01422	46.2
174.19067	2.0
183.02704	2.2
190.56795	2.0
203.05855	4.8
211.02502	21.7
215.11674	2.3
236.09776	1.9
251.11887	8.9
263.12064	2.6
264.08841	2.2
265.13623	2.1
271.04578	23.2
272.05005	2.1
273.14923	6.0
276.09048	2.9
277.09781	12.7
278.10559	3.0
291.11392	13.1
292.12067	14.1
293.12869	11.6
295.10779	2.1
297.14987	2.0
324.11270	3.1
335.10300	3.5
336.11179	5.7
337.12051	3.6
372.17203	3.1
414.18503	2.5
418.17719	5.1
432.19171	4.9
453.21335	18.2
454.21460	2.0
458.17062	3.4
459.17712	2.8
475.17233	2.2
476.18152	9.4
477.19504	4.2
478.19415	2.0
508.20892	31.4
509.21442	4.6
513.19910	2.8
529.24390	2.6
553.24127	2.1
555.22382	2.8
573.23541	12.5
574.23572	2.0
603.14838	2.7
603.24280	5.1
605.26416	23.0
606.25677	5.6
615.24359	12.0
616.24725	1.9
617.21912	2.1
629.21985	6.4
633.17065	2.7
633.25800	26.6
647.27588	11.7
665.24554	100.0
666.24701	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	665.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58261	0.8
57.03434	1.3
58.44742	0.9
59.01383	13.3
61.98833	3.9
67.01898	2.0
68.44718	0.8
68.79862	1.1
69.03466	1.9
70.42918	0.8
71.01377	8.6
71.56293	1.3
72.99291	1.6
73.02962	1.5
75.00865	2.2
79.01913	1.2
83.01400	1.6
85.02968	3.4
87.00893	1.4
89.02465	3.6
95.01378	2.2
96.96000	2.2
97.02965	1.2
99.00887	15.6
100.69326	0.9
101.02446	3.5
107.01380	5.2
109.02985	2.2
111.00898	3.7
113.02464	3.8
114.98589	0.9
117.35531	1.1
119.03522	1.0
120.08267	0.9
121.02941	1.8
122.03741	1.4
123.00912	10.1
124.01691	1.6
125.02452	40.7
126.02811	1.9
136.98813	1.1
137.02481	2.2
138.03236	3.3
139.00397	3.9
139.04001	2.6
140.01151	3.0
141.01907	1.3
143.03520	1.3
145.02940	1.1
150.03227	4.8
151.00339	4.6
151.04016	1.9
153.11937	1.0
157.27911	0.9
161.02452	3.3
165.01933	2.0
167.03510	1.6
168.00664	6.6
169.01428	46.3
170.01743	2.6
173.36786	0.9
177.01945	3.5
211.00684	1.8
211.02510	21.3
217.01370	1.5
271.04602	22.3
272.04852	1.4
273.15021	5.2
291.16113	1.1
297.15070	2.3
300.02667	1.5
301.14035	1.0
352.97421	0.8
380.12213	1.0
453.21307	22.2
454.21793	2.9
465.21085	2.1
466.21707	1.4
477.21335	3.0
505.21008	1.2
513.13190	2.2
513.20038	5.3
603.24774	2.4
605.22540	9.6
606.22705	1.7
617.22803	1.7
629.22510	5.1
647.23975	4.0
665.24530	100.0
666.24896	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	664.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47113	0.3
61.98831	100.0
68.25164	0.3
68.44666	0.3
69.15620	2.2
69.16042	1.2
75.29678	0.3
81.77478	0.3
91.44843	0.3
114.53020	0.3
125.02436	1.5
137.02490	0.5
144.97664	0.3
167.03476	0.7
169.01418	0.7
303.45563	0.3
305.06741	0.5
414.82135	0.3
495.16351	0.4
503.14703	0.3
551.19019	0.4
552.19702	0.7
627.21558	1.0
628.20923	2.2
629.21423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1874
Annotation	Dicerandrol A
Peak:m/z	Relative Intensity
55.01844	0.6
59.01366	3.2
63.34895	0.6
67.01894	0.9
69.03439	0.6
69.80486	2.9
71.01373	2.1
72.99303	0.7
73.02939	0.8
81.03439	0.9
83.01386	1.4
85.02929	1.2
87.00871	0.9
89.02471	0.7
95.01370	3.4
96.95992	1.2
97.02924	1.9
99.00885	0.6
101.02421	0.7
102.91986	0.7
107.01395	16.9
107.02131	1.1
109.02943	1.3
110.70026	0.6
111.00868	3.3
113.02431	1.5
123.00889	6.8
124.01643	4.7
125.02445	50.2
126.02817	1.9
127.00399	1.7
136.98802	2.7
137.02446	0.7
139.00385	7.1
139.04037	4.4
140.01166	7.1
151.00302	2.2
153.01881	1.6
161.02451	0.6
166.99814	1.1
168.00644	13.1
169.01418	45.5
170.01678	1.2
181.01440	1.5
183.02972	11.0
233.29942	0.6
239.05525	2.2
261.85876	0.6
287.02087	0.6
359.11148	2.2
361.18826	1.0
373.25922	1.1
375.26651	0.7
391.06558	1.0
449.96921	0.7
481.15082	0.7
495.16357	0.7
498.15256	2.3
499.15948	1.3
513.17767	10.2
514.18378	1.1
650.16534	0.7
665.18768	100.0
665.37122	2.7
666.19073	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	663.339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	13.1
59.01379	4.0
60.53089	0.4
61.38808	0.4
61.98833	3.1
62.31748	0.4
63.31686	0.4
69.03476	0.7
71.01380	2.0
71.56048	0.6
73.02953	0.7
75.00902	0.8
81.03462	1.7
82.61007	0.4
83.01401	3.3
85.02961	1.5
87.00927	0.4
88.98793	0.5
89.02464	0.6
93.03483	0.9
95.01381	0.8
95.05016	2.6
96.04542	0.6
96.96003	1.4
97.02981	0.7
99.00921	0.5
101.02429	0.5
105.03468	4.5
107.01389	0.9
109.02966	1.4
111.00882	0.8
113.02472	1.0
113.09695	0.5
119.05010	1.1
121.02983	0.8
122.06123	0.8
123.00916	1.0
123.08170	0.8
124.01728	0.5
125.02450	80.6
126.02789	2.7
129.25867	0.5
130.63779	0.5
133.02982	1.2
137.02455	5.2
139.04034	0.9
145.03033	0.7
145.06622	0.4
148.41219	0.4
149.02478	1.1
151.04027	0.8
157.12292	0.8
161.02446	34.2
161.36942	0.4
162.02916	1.9
163.04002	0.8
165.01915	1.2
166.02699	1.0
167.03499	1.3
169.01430	9.1
170.01779	0.7
175.04008	0.5
177.01953	1.4
177.05542	3.8
181.04846	0.4
183.04483	0.6
185.02463	0.6
185.11827	0.9
190.05077	0.5
199.03879	0.5
201.01917	0.5
201.05641	1.2
203.03416	0.6
211.02435	0.4
219.06616	0.8
221.04494	0.5
224.57977	0.4
227.03682	0.6
243.10274	0.7
256.56970	0.5
267.07477	0.5
269.04523	5.3
283.10849	2.1
284.11401	0.5
287.05627	5.6
305.06592	2.5
309.08591	0.6
327.09991	0.7
329.23410	1.0
331.11737	0.5
357.26523	1.7
373.25861	1.7
374.26190	0.6
375.27499	100.0
376.27820	9.6
457.24673	0.7
493.15747	0.6
497.31155	0.8
525.30609	0.8
600.24097	0.6
631.24200	1.4
663.25897	2.2
663.36517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.6
63.73499	1.2
71.01382	1.4
71.51299	2.1
72.45711	1.1
72.99330	1.1
94.02979	3.3
94.06606	1.9
95.35651	1.3
99.08173	1.4
106.54900	1.3
108.04523	4.0
109.03021	1.2
110.06090	5.1
120.08212	2.8
121.05276	1.4
122.06113	11.3
122.62920	1.1
123.00978	1.3
124.04053	3.5
127.07632	2.3
136.04027	4.3
137.02492	1.2
137.04767	2.7
138.05605	5.6
144.04492	1.8
145.07681	1.7
145.08713	22.8
147.05649	3.5
150.05611	5.4
161.03580	1.8
161.04817	3.0
162.05573	2.6
169.01422	2.2
174.05579	4.9
175.05138	2.7
177.01961	1.3
186.12825	1.4
187.06335	1.4
187.09799	8.0
201.10345	18.0
203.05865	3.2
211.08740	1.7
213.10356	10.4
215.11916	2.0
217.01456	2.6
227.11896	3.6
229.09805	22.0
229.13309	7.1
237.10385	1.9
239.11838	10.6
243.11401	1.9
245.13029	2.4
247.10693	3.1
254.90843	1.5
255.11362	4.8
257.12961	5.4
267.11478	3.5
271.10800	1.6
273.01282	1.1
273.12415	5.7
283.10754	6.5
287.10440	1.2
289.11786	6.1
291.11209	1.4
301.11923	27.0
302.12161	2.4
319.12976	100.0
320.13361	7.8
325.11880	1.6
327.13513	5.4
330.12521	1.9
333.82910	1.2
342.12573	2.3
343.13049	5.0
346.15524	2.3
371.12741	1.5
372.13535	3.3
377.13669	2.2
384.17535	2.0
386.15274	6.2
387.15799	1.8
388.16827	2.8
390.14642	1.8
391.16052	1.1
400.16913	1.9
403.15054	3.6
404.16132	10.1
405.16745	4.5
406.17792	1.9
414.14569	2.6
416.16183	2.3
418.13577	1.5
419.14581	2.7
432.15781	4.5
437.15887	4.2
446.17181	3.8
473.16342	2.1
511.12451	2.0
519.26385	2.5
527.23132	7.3
539.22876	2.5
545.24017	19.4
546.24518	3.0
551.22961	4.6
557.23840	2.7
569.24054	17.0
587.25049	61.7
588.25208	13.0
590.23926	4.2
601.23077	2.0
613.23071	10.7
614.23749	1.8
619.27338	1.5
631.24060	78.9
632.24615	13.6
645.25677	5.5
646.26001	2.0
663.26697	50.5
664.26904	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	663.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03435	3.2
59.01369	3.9
68.99798	0.7
69.03463	4.8
70.61317	1.4
70.61681	1.6
71.01376	9.2
71.74879	0.7
73.02947	14.5
83.01369	2.1
85.02948	26.3
85.03465	1.6
87.00874	100.0
95.01376	4.2
96.95993	0.7
97.02952	17.9
99.00862	1.1
103.04008	11.4
113.02448	7.4
115.00371	10.0
115.03998	1.4
118.12376	0.7
129.01947	1.9
139.00319	0.9
147.86179	0.9
147.87485	0.8
157.01418	9.0
175.02467	80.0
176.02795	2.4
217.03505	16.8
270.76938	0.9
303.07190	43.6
304.07663	2.4
321.08249	23.5
322.08743	1.2
663.20087	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.9
58.64808	1.0
59.01369	4.0
63.50850	0.8
69.03448	4.7
71.01386	9.6
71.53843	1.0
72.99299	1.1
73.02948	12.7
78.95898	1.6
83.01399	2.1
85.02949	28.1
87.00876	100.0
88.01186	1.3
95.01382	4.2
96.96034	1.0
97.02950	18.6
101.02463	1.0
101.53958	0.9
103.04007	12.2
111.00842	1.5
112.22668	1.0
113.02447	8.0
115.00372	10.0
115.03992	0.9
129.01991	2.0
145.01387	1.0
157.01408	9.7
173.04558	1.0
175.02472	76.5
176.02911	1.6
217.03490	20.3
303.07196	42.3
304.07547	2.6
321.08286	28.3
678.49731	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34270	0.7
56.07907	0.7
59.01384	4.3
67.01885	0.9
68.99803	1.0
69.03444	1.7
70.48441	0.7
71.01375	2.9
71.54925	0.7
72.99295	0.9
74.53548	0.7
75.98105	0.7
79.01892	1.4
81.03457	0.9
83.01363	1.1
85.02939	1.8
87.00872	1.1
89.02443	1.5
91.46178	0.7
93.77655	0.6
95.01365	2.0
96.95983	1.2
97.02949	1.4
101.02450	2.2
102.88210	0.8
104.23681	0.8
107.01387	11.8
109.02900	0.8
111.00889	4.2
113.02427	1.8
122.03726	1.5
123.00897	11.1
124.01690	3.4
125.02451	51.9
126.02786	1.9
127.00339	1.9
136.98808	2.1
139.00391	5.6
139.03926	0.8
140.01160	5.3
141.01910	1.7
151.00374	7.9
153.01939	1.3
154.99817	0.9
165.05556	2.0
166.99831	1.4
168.00635	7.2
169.01427	61.1
170.01767	2.2
177.30635	0.6
179.03436	0.9
179.07169	0.8
181.01367	1.0
181.05077	1.1
183.02939	2.8
193.01289	1.1
193.04971	0.8
197.08232	1.1
207.03067	0.9
208.92383	0.7
211.02470	4.8
225.03960	1.5
237.03928	0.9
253.03630	1.2
263.29214	0.7
271.02106	1.0
271.04831	3.5
313.05676	3.2
316.02252	5.0
317.02933	2.3
319.12955	1.0
450.36401	0.8
463.08749	3.4
511.14499	21.2
512.14752	2.9
597.31750	0.8
663.15637	100.0
664.16071	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	663.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
61.93021	0.4
65.00334	0.4
67.01904	0.5
69.03465	2.2
69.18172	3.6
71.01403	0.4
72.72266	0.3
75.00843	0.4
75.50774	0.3
76.59100	0.4
79.01894	0.7
79.50967	0.4
81.03471	0.9
83.01401	0.8
95.01394	0.8
95.05031	0.4
96.96010	0.5
97.02947	1.6
98.20615	0.6
99.00853	0.4
105.03456	1.0
107.01405	0.5
109.02947	3.4
111.04504	0.8
123.00877	2.6
124.01640	1.4
125.02447	59.6
126.02803	1.4
133.02959	1.2
137.02434	0.7
138.03239	1.3
139.00380	0.3
139.04015	2.3
140.84100	0.4
145.02982	0.3
149.02475	0.8
151.33691	0.3
153.05569	0.6
157.69157	0.3
161.02440	10.5
165.01958	0.9
166.99849	0.6
167.03413	1.7
168.00696	0.4
169.01424	100.0
170.01749	3.1
175.03862	0.4
177.01926	9.0
178.02344	0.4
189.01933	5.0
190.02655	0.9
191.03401	0.5
193.01422	4.6
194.01842	0.3
199.21704	0.4
203.03471	0.8
215.03610	0.4
216.00658	1.2
217.01407	8.0
218.01817	0.6
219.03004	0.9
229.05098	0.8
229.09856	0.5
231.03008	1.4
233.04343	0.4
257.04517	0.7
259.02502	0.9
266.05862	0.4
269.04602	0.6
269.86966	0.3
273.12439	0.6
274.04749	0.7
283.02567	0.4
284.31842	0.5
285.04083	0.6
287.05429	0.8
288.06235	0.4
289.07114	2.2
289.09943	0.3
297.04059	0.7
301.03516	1.3
301.06857	0.5
316.06088	0.5
317.11432	0.7
319.04700	1.0
319.12787	0.8
321.03967	0.8
331.08234	10.9
332.08569	1.3
335.12415	1.8
339.04922	0.6
343.08276	1.2
357.06131	4.8
358.06540	0.7
371.07730	5.8
372.08090	0.4
385.09329	0.5
464.11243	0.3
493.11450	3.1
511.12442	13.3
512.12860	1.7
537.10254	2.3
662.27179	0.6
663.17365	1.1
663.28033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.1
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.2
59.01369	8.9
61.98814	2.1
69.25830	16.5
71.01392	6.0
71.54803	1.6
72.55039	2.1
72.99283	2.5
73.02982	1.8
75.00876	2.2
85.02948	4.6
89.02465	1.9
93.03495	2.0
95.01373	2.3
96.96008	2.2
101.02483	2.4
107.01380	11.4
111.00886	3.0
113.02431	5.0
121.10257	1.7
123.00895	7.5
124.01658	4.6
125.02451	72.4
126.02792	9.9
131.70055	1.6
137.02420	3.6
137.09694	1.9
139.00397	4.6
139.11264	2.6
140.01199	2.3
151.00354	9.3
151.03981	2.2
155.03487	5.5
163.03944	2.3
165.01888	2.7
167.03482	2.6
168.00671	8.2
169.01422	100.0
170.01749	14.3
173.04504	4.4
183.02997	36.4
183.10246	2.6
184.03310	13.5
193.01434	2.0
211.02461	8.1
212.02782	3.6
227.03506	3.0
235.11777	2.0
255.02969	7.8
259.02399	2.0
271.02338	6.7
271.04797	3.6
284.03293	13.1
285.04062	23.1
287.01956	4.8
313.05698	12.1
314.05878	2.2
316.02173	16.6
317.02811	3.3
319.13135	2.3
326.05798	2.5
335.04266	4.9
336.04285	2.8
423.05698	2.3
447.09360	2.5
483.08051	2.8
484.08356	8.4
509.16455	7.7
510.17386	15.4
511.18069	2.8
599.10382	91.2
600.10608	13.9
662.14038	40.8
662.23376	3.1
663.14954	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	662.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32960	0.8
52.01141	0.9
59.01377	5.5
60.86808	0.8
61.98820	1.3
62.94164	0.9
67.01871	1.1
69.03442	2.0
71.01382	1.9
73.02914	1.2
76.08120	1.0
81.03442	1.6
85.02953	2.1
93.03442	0.9
95.01373	1.8
95.05068	1.3
96.95993	4.0
97.02934	2.1
101.02493	1.3
105.03425	1.7
107.01413	2.3
109.02929	5.5
113.02437	2.4
123.00851	2.9
124.01671	2.3
125.02444	63.5
126.02853	1.0
133.02884	1.2
137.02438	3.3
138.03169	1.2
139.03992	2.8
151.00340	3.3
161.02434	10.0
165.01909	2.9
166.99840	1.8
167.03476	4.2
169.01422	100.0
177.01912	11.6
178.99829	1.6
189.01895	6.5
193.01402	6.0
195.06580	2.0
216.00746	1.2
217.01431	10.4
225.07616	1.1
231.02885	1.4
285.04102	1.1
289.07159	2.4
301.03571	7.4
305.06580	1.7
331.08231	10.1
343.08044	1.6
357.06128	6.6
371.07681	9.9
493.11142	4.5
499.35388	2.6
511.12433	18.4
537.10156	2.9
662.17883	1.5
663.18182	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	661.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03435	1.1
57.49570	0.8
58.00587	2.0
59.01380	48.4
59.01682	2.5
61.98821	3.2
69.03449	3.6
71.01382	44.7
71.54130	1.2
72.99311	4.4
73.02955	9.1
75.00864	1.7
78.95888	1.4
81.03449	2.3
83.01398	4.2
85.02950	10.2
87.00880	12.7
89.02441	39.9
93.03448	1.0
95.00432	0.9
95.01373	2.8
97.02953	6.7
99.00876	2.6
101.02447	37.1
110.80857	0.8
111.04488	1.3
113.01710	1.3
113.02451	19.4
119.03505	12.6
121.02960	1.3
124.01663	1.6
125.02449	17.2
125.50712	0.9
128.17108	0.8
131.03500	2.2
133.05066	2.5
137.02426	1.2
137.84529	0.9
140.06207	0.9
143.03506	7.3
149.02330	1.2
149.04510	1.3
161.04539	7.2
167.03500	2.0
169.01445	1.9
179.05630	8.7
185.04556	1.7
221.06639	3.3
230.20000	1.0
235.08224	17.3
237.45607	0.9
253.09195	4.3
254.07347	1.0
263.07764	1.4
263.20145	100.0
264.20499	8.3
287.07697	3.4
305.08798	4.3
323.09964	1.9
379.12601	1.3
397.13504	87.4
398.13834	8.5
415.14563	39.8
416.14694	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	661.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73540	0.3
54.67028	0.3
55.01877	1.4
57.03442	1.0
58.00589	1.8
59.01378	45.2
60.01701	0.5
61.98823	0.6
64.43276	0.4
68.99837	0.4
69.03461	3.0
70.77968	0.6
71.01380	43.1
72.01714	0.4
72.99303	3.6
73.02942	7.1
74.18777	0.3
75.00884	1.2
78.00014	0.3
78.95901	0.4
81.03445	1.7
83.01386	4.6
85.02952	9.6
86.00132	0.3
87.00879	11.5
87.04514	0.6
89.02441	40.1
90.02788	0.5
91.04015	0.8
93.03475	0.5
95.01394	2.5
95.04979	0.4
97.02949	7.2
98.46391	0.3
99.00886	2.3
99.04534	0.7
101.02444	36.2
103.00355	0.4
103.04000	0.5
109.02980	0.6
111.00887	0.8
111.04538	1.0
112.01654	0.4
113.02448	17.6
114.02757	0.4
115.04008	1.2
119.03502	12.8
121.02979	0.9
123.00892	0.6
123.04541	0.6
124.01650	0.7
125.02451	14.4
126.02769	0.4
127.03987	0.5
127.07639	0.4
131.03474	2.0
133.05048	1.4
137.02431	0.4
139.04004	1.1
141.01956	1.0
143.03491	7.7
149.04541	1.4
155.03471	0.3
159.58096	0.3
161.04547	8.8
167.03517	0.9
169.01375	0.5
169.05112	0.6
171.02980	0.5
179.05614	8.3
185.04556	0.9
199.06192	0.7
203.05571	0.5
217.07057	1.6
219.21111	0.8
221.06639	3.4
235.08211	16.4
236.08591	0.5
245.06660	0.9
245.19157	0.4
253.09259	4.2
263.07736	2.3
263.20135	100.0
264.20502	7.5
277.09360	1.4
277.21710	0.8
287.07748	4.0
305.08777	4.2
323.09769	1.8
361.11276	0.6
379.12396	1.5
397.13483	83.5
398.13815	5.5
415.14542	37.7
416.14865	3.2
602.53894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24515	0.3
57.03450	11.9
58.03785	0.3
59.01383	1.0
61.98828	1.1
65.90849	0.3
69.03471	0.4
69.73943	1.1
69.74352	0.7
71.01382	0.7
73.02944	0.8
81.03457	1.5
83.01395	2.5
85.02966	0.6
87.04535	0.4
93.03464	0.6
95.01389	0.5
95.05038	1.6
95.21310	0.3
96.96042	0.3
97.02967	0.4
105.03469	4.1
109.02968	1.1
119.05048	0.3
121.10243	0.7
125.02448	64.0
125.09669	0.4
126.02782	2.2
133.02937	1.4
137.02454	3.6
139.03961	0.7
139.11282	0.3
141.12852	0.3
149.02437	0.7
157.12277	0.7
161.02448	26.5
162.02910	1.3
165.01904	0.9
166.02757	0.6
167.03505	0.9
169.01428	1.0
169.12422	0.6
175.03963	0.5
177.01979	0.4
177.05568	2.7
179.03557	0.5
183.04509	0.4
185.11790	1.8
197.05911	0.4
201.01918	0.3
201.05574	1.0
203.03511	0.5
213.11270	0.3
215.12845	3.6
219.06683	0.9
225.05565	0.7
227.03557	0.7
228.04469	0.3
229.01375	0.6
243.06496	0.5
252.93642	0.4
269.04495	4.0
270.04901	0.4
284.90289	0.3
287.05618	4.5
305.06653	2.9
313.23807	0.9
325.23770	0.5
341.23340	0.8
343.24921	4.8
355.24936	1.9
371.24527	0.8
373.25931	100.0
374.26263	9.1
495.29373	0.5
523.29114	0.8
661.33130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76505	1.3
54.32471	1.3
54.70090	1.3
57.03456	3.5
59.01142	1.7
59.01380	18.9
59.76152	1.3
61.39972	1.3
61.98818	4.4
64.71609	1.4
67.87894	1.4
71.01378	7.2
72.85747	1.5
72.99310	2.5
73.02943	1.9
75.00871	5.6
81.03443	1.6
83.01367	2.9
83.54076	1.5
84.84760	1.7
85.02943	7.8
87.00880	2.9
89.02432	1.9
94.06620	2.2
96.96025	3.8
99.00869	1.7
101.02448	2.6
102.90617	1.5
105.03515	1.5
106.06605	2.1
107.03819	2.0
108.04565	1.7
109.02963	1.7
110.06114	8.5
113.02475	7.2
114.16000	1.4
120.08170	1.8
122.06119	36.9
124.01662	1.9
125.02443	24.3
134.06122	9.4
136.07675	2.6
137.02422	1.9
144.04539	2.7
146.06036	1.8
152.07176	1.8
160.06349	4.8
160.07620	1.9
161.02524	7.3
161.04800	2.1
162.05513	2.0
169.01457	7.0
174.05603	10.2
177.01973	1.9
180.06654	4.1
184.50803	1.5
185.29997	1.3
186.05710	1.9
188.07129	3.4
203.05711	3.2
203.54010	1.7
213.10310	22.5
215.11815	3.1
223.08669	2.3
225.10316	2.2
226.11073	2.7
232.76059	1.4
236.09424	1.8
237.10220	4.1
238.11151	2.1
239.11888	20.5
241.13428	17.8
242.13875	1.7
249.10184	2.8
251.08124	1.8
251.11885	6.2
252.09195	1.9
252.12503	1.6
253.09767	1.8
257.17551	2.2
263.08133	3.2
263.11816	2.7
264.09045	8.2
265.09799	9.9
266.10446	1.7
267.11417	4.6
276.08844	3.4
277.09872	3.5
278.10416	2.6
279.11337	17.0
280.12027	3.2
281.09250	2.5
281.12820	2.3
282.13788	1.5
283.10800	5.2
285.12448	60.8
286.12753	4.0
287.05515	3.1
289.09644	1.9
290.10751	1.5
291.07993	1.9
291.11450	8.3
292.08521	15.0
293.09235	10.3
293.12943	9.6
301.11951	3.4
305.06363	2.1
305.09445	1.9
306.09998	4.4
307.10907	43.2
308.11606	17.4
309.12039	2.2
311.10303	5.2
312.11298	1.7
313.12244	1.6
323.13705	2.2
325.11890	1.9
335.10605	1.5
340.10764	6.9
340.14294	1.5
341.11606	1.8
343.12799	3.9
350.09073	14.3
351.09814	35.8
352.10349	6.2
356.13928	4.9
357.14914	1.5
365.11356	2.6
370.15634	9.4
371.16089	2.7
372.17044	2.3
373.25922	30.0
382.12173	1.7
383.12598	2.5
384.13254	4.2
384.17563	1.7
387.16147	1.7
397.14117	2.0
398.14981	9.9
399.15515	1.7
403.14978	2.5
412.16617	12.6
413.17447	9.4
416.16000	2.8
418.17737	2.2
430.17587	9.1
431.17865	2.4
447.17749	2.8
448.18622	6.2
456.15829	2.0
457.16541	2.7
462.20255	4.6
474.16364	4.8
491.16934	2.9
492.17743	16.8
493.23001	2.7
506.19318	33.9
507.19516	4.2
511.23309	5.9
512.23828	2.7
520.20380	3.3
523.23883	2.4
524.20398	5.5
535.23438	18.1
536.23578	4.1
538.21912	60.1
539.22272	7.5
553.24579	55.3
554.24994	8.3
556.22876	2.3
567.26654	2.3
579.22174	5.1
585.27515	9.2
597.23492	49.9
598.23523	7.6
611.25232	8.7
612.25336	1.9
617.28149	22.1
618.28473	4.2
629.26166	100.0
630.26459	18.3
661.28821	34.2
662.28754	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	661.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
57.03449	8.8
59.01377	36.6
61.98835	5.9
70.98286	2.3
71.01380	22.2
72.99317	5.9
73.02944	6.0
75.00870	25.9
75.47854	0.8
81.03439	1.3
83.01384	4.2
84.02163	1.0
85.02949	25.3
87.00872	7.2
87.68587	1.0
88.98808	1.3
89.02435	5.5
95.01402	3.5
95.05025	2.2
96.96014	5.2
97.02935	1.0
99.00877	9.3
101.02448	5.1
105.03474	1.9
106.06645	1.1
107.01411	1.3
109.02967	1.4
110.06102	2.9
111.00861	1.3
113.01701	1.8
113.02449	24.3
115.00371	3.2
119.03545	1.8
122.06126	16.5
123.00935	1.7
125.02443	38.4
126.02782	1.4
128.34100	1.1
129.01958	1.4
133.02910	1.5
134.06134	3.1
136.07751	1.0
137.02454	3.3
139.00426	1.4
139.03983	1.2
149.02388	1.4
151.00386	1.3
160.06418	1.9
161.02440	18.8
161.04683	1.3
166.16278	1.1
167.03497	1.7
168.00673	1.2
169.01384	7.2
171.10306	1.1
173.04559	1.5
174.05585	3.0
175.02464	3.4
177.01938	2.3
180.06638	1.5
185.11845	1.4
186.05693	1.1
188.07152	2.2
203.05743	1.3
213.10275	8.2
223.08847	1.2
225.10318	1.1
226.11128	1.2
231.19412	1.0
235.08623	1.0
237.10236	2.0
239.11862	8.9
241.13496	6.9
251.11943	3.1
257.17569	5.8
257.19998	1.0
263.08362	1.0
263.11981	2.4
264.09058	5.2
265.09821	4.2
267.11356	2.1
269.04498	3.4
269.09094	1.1
277.09698	2.2
278.10446	1.2
279.08075	1.3
279.11371	6.9
281.09351	1.2
281.13068	1.5
283.10889	4.0
285.12466	24.9
286.13028	1.0
287.05496	2.3
291.08292	1.2
291.11407	5.5
292.08563	7.5
293.09235	4.0
293.12939	3.0
301.12009	1.4
306.09998	2.1
307.10861	19.0
308.11606	5.3
311.10275	1.1
321.91403	1.0
323.10028	1.0
325.11905	1.4
331.08151	1.2
340.10696	3.4
343.13348	1.6
343.24924	1.8
350.08990	5.1
351.05920	1.5
351.09866	15.2
352.10379	2.4
354.15930	1.3
356.14127	1.5
359.12762	1.0
368.17673	1.0
370.15637	4.0
371.16367	1.4
372.17224	1.6
373.25900	50.0
374.26208	4.2
383.12665	1.3
384.13470	2.8
385.00641	1.0
389.25302	2.8
398.15182	6.0
403.15329	1.5
404.15918	1.6
412.16528	4.8
413.17477	5.0
430.17715	4.4
447.18353	1.3
448.18588	2.9
462.20255	1.7
474.16818	2.8
491.17810	1.9
492.17621	6.5
506.19217	11.2
507.19321	1.1
511.23642	2.2
520.20996	1.3
524.20392	2.1
535.23456	8.4
536.24518	1.2
538.21906	27.7
539.22095	3.5
551.98865	1.0
553.24518	25.0
554.24878	4.8
579.22791	1.7
585.27423	3.5
597.23566	20.9
598.24261	2.5
611.25287	3.9
617.28101	100.0
618.28412	16.2
629.26129	40.8
630.26471	7.5
643.27222	1.5
661.18445	1.8
661.28705	13.9
662.28271	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	661.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
59.01379	4.8
61.98833	0.6
65.00318	0.4
67.01896	0.8
68.99814	0.4
69.03455	0.9
71.01384	3.0
72.99314	0.6
75.00869	0.6
79.01879	1.0
81.03457	0.9
82.40572	0.4
83.01392	0.8
85.02924	1.9
86.70383	0.4
87.00867	1.2
89.02451	1.5
91.43840	0.3
93.03522	0.4
95.01388	1.9
96.90351	0.3
96.96025	1.2
97.02930	1.2
99.00885	0.5
101.02428	1.9
107.01386	8.6
109.02938	0.8
111.00896	2.4
113.02450	2.2
119.03419	0.6
119.05019	0.4
121.02943	0.5
123.00883	11.0
124.01730	2.0
125.02450	42.2
126.02808	1.3
127.00386	0.9
131.35124	0.3
136.05298	1.2
136.98779	0.9
137.02464	0.8
139.00371	4.9
139.04103	0.4
140.01158	3.5
141.01913	0.8
149.02422	0.8
151.00368	8.6
151.04013	0.6
152.00978	0.4
153.01938	0.8
154.99840	0.6
161.02377	0.6
161.04506	0.6
163.04030	0.5
165.01884	0.5
165.09155	0.8
166.99818	0.6
167.03510	1.1
168.00632	4.4
169.01422	53.4
170.01782	1.5
177.01906	0.7
177.09229	0.4
179.03476	0.9
181.01505	0.6
181.05035	0.9
189.01732	0.4
191.03711	0.4
191.05594	0.5
193.01465	0.6
193.05125	0.6
195.10268	1.1
204.04233	0.4
207.02956	0.6
211.02435	2.7
237.04004	0.8
247.13344	0.5
249.06226	0.5
253.03572	0.6
271.04626	2.4
295.04480	1.1
313.05728	3.9
407.51688	0.5
436.42300	0.4
491.15454	2.3
497.34686	1.1
498.35434	2.7
499.35229	1.1
509.16583	21.0
510.16812	2.8
539.05176	0.4
563.66180	0.5
599.10474	0.4
661.17694	100.0
662.18079	19.2
662.29486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01734	0.8
61.98840	4.6
63.32787	0.6
71.09232	0.8
71.09569	0.7
78.95925	1.6
132.82387	0.6
152.99648	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
59.01372	2.0
61.98811	0.5
71.01389	1.3
71.07111	0.5
71.07459	0.9
73.02930	0.5
96.96013	1.4
101.02435	0.5
107.01405	0.6
111.00893	1.5
111.04573	0.4
113.02416	0.6
116.92812	0.5
119.08708	0.7
123.00874	0.8
124.01683	1.4
125.02432	4.3
126.02785	0.8
127.00430	0.5
136.98814	1.1
137.09720	3.7
137.52209	0.5
139.00377	1.6
140.01161	1.5
155.03531	0.7
168.00600	4.6
169.01410	6.2
170.01692	0.7
173.04648	0.9
177.12807	0.8
183.02979	100.0
184.03349	4.2
221.11859	0.8
239.12888	10.5
281.13950	3.8
282.14398	0.8
335.04059	15.4
336.04446	1.7
509.16595	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	659.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.52282	16.7
78.95897	67.0
79.95688	12.8
80.96555	15.8
85.93410	9.5
96.34637	8.8
112.98736	9.6
113.91439	10.7
125.02438	57.1
137.02428	14.2
152.99579	34.9
167.03505	13.9
169.01393	36.6
171.00647	10.9
199.13235	17.5
201.81706	11.5
255.23291	18.0
255.36661	12.5
277.21637	19.0
295.22824	13.6
379.90030	12.8
399.05292	12.0
431.21896	15.7
518.03729	11.5
518.71820	11.2
529.80353	11.6
577.26740	30.9
659.33429	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	659.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01721	1.3
61.98828	3.6
68.48440	0.5
71.53221	0.8
78.95911	4.9
79.58376	0.6
82.23813	0.7
96.96928	0.7
152.99625	2.2
188.32620	0.6
272.03879	0.7
279.23410	1.6
301.79166	0.8
465.00623	0.7
659.35974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15502	0.6
57.03197	0.8
57.03448	10.8
58.53672	0.5
59.01376	6.0
61.98822	5.8
69.03437	0.6
69.72941	2.8
71.01373	3.2
73.02941	1.4
75.00867	2.0
76.90611	0.6
78.95936	0.8
81.03421	1.1
83.01380	3.4
83.05042	0.8
84.10898	0.5
85.02954	2.0
87.00858	1.0
89.02420	1.3
93.03469	1.0
95.01372	1.2
95.05005	2.5
96.95995	2.5
97.02944	1.0
97.06578	1.1
97.72968	0.5
98.19939	0.7
101.02448	1.4
105.03442	3.7
109.02932	0.9
111.00929	0.5
113.02457	1.3
116.92856	0.8
119.03529	0.7
121.02935	1.4
123.00858	1.6
123.08141	1.1
124.01633	1.1
125.02446	69.5
126.02763	2.0
127.04048	1.2
133.02913	0.9
135.02985	2.1
135.04453	0.7
136.05309	0.7
137.02449	5.5
139.03967	2.0
139.11269	1.4
149.02483	1.2
149.06110	1.0
150.06793	2.0
151.03973	0.8
151.07294	0.7
152.01205	0.7
155.10812	0.6
161.02446	28.2
162.02937	1.3
163.07610	0.8
163.11235	0.6
164.01080	0.5
165.01875	1.6
165.09230	0.8
166.02686	1.1
167.03442	1.3
168.00623	0.5
169.01410	8.8
171.10286	1.0
175.04048	1.4
177.01904	1.5
177.05589	2.9
179.03488	1.0
179.10747	0.7
185.11824	5.0
199.03876	1.0
201.05547	1.5
205.12277	2.1
209.11787	1.9
213.11343	1.0
214.12068	1.5
219.06747	0.9
225.05568	0.9
227.03506	1.3
229.01370	0.7
229.94936	0.6
243.06664	0.8
243.15948	1.6
269.04492	3.5
285.04053	0.6
287.05569	4.2
305.06601	3.4
311.22232	0.6
341.23187	5.7
346.28519	0.6
353.23380	1.3
371.24344	100.0
372.24725	9.0
493.28680	0.6
495.36737	0.9
496.37625	4.2
497.37317	2.5
659.24207	0.9
659.36957	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	659.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15502	0.6
57.03197	0.8
57.03448	10.8
58.53672	0.5
59.01376	6.0
61.98822	5.8
69.03437	0.6
69.72941	2.8
71.01373	3.2
73.02941	1.4
75.00867	2.0
76.90611	0.6
78.95936	0.8
81.03421	1.1
83.01380	3.4
83.05042	0.8
84.10898	0.5
85.02954	2.0
87.00858	1.0
89.02420	1.3
93.03469	1.0
95.01372	1.2
95.05005	2.5
96.95995	2.5
97.02944	1.0
97.06578	1.1
97.72968	0.5
98.19939	0.7
101.02448	1.4
105.03442	3.7
109.02932	0.9
111.00929	0.5
113.02457	1.3
116.92856	0.8
119.03529	0.7
121.02935	1.4
123.00858	1.6
123.08141	1.1
124.01633	1.1
125.02446	69.5
126.02763	2.0
127.04048	1.2
133.02913	0.9
135.02985	2.1
135.04453	0.7
136.05309	0.7
137.02449	5.5
139.03967	2.0
139.11269	1.4
149.02483	1.2
149.06110	1.0
150.06793	2.0
151.03973	0.8
151.07294	0.7
152.01205	0.7
155.10812	0.6
161.02446	28.2
162.02937	1.3
163.07610	0.8
163.11235	0.6
164.01080	0.5
165.01875	1.6
165.09230	0.8
166.02686	1.1
167.03442	1.3
168.00623	0.5
169.01410	8.8
171.10286	1.0
175.04048	1.4
177.01904	1.5
177.05589	2.9
179.03488	1.0
179.10747	0.7
185.11824	5.0
199.03876	1.0
201.05547	1.5
205.12277	2.1
209.11787	1.9
213.11343	1.0
214.12068	1.5
219.06747	0.9
225.05568	0.9
227.03506	1.3
229.01370	0.7
229.94936	0.6
243.06664	0.8
243.15948	1.6
269.04492	3.5
285.04053	0.6
287.05569	4.2
305.06601	3.4
311.22232	0.6
341.23187	5.7
346.28519	0.6
353.23380	1.3
371.24344	100.0
372.24725	9.0
493.28680	0.6
495.36737	0.9
496.37625	4.2
497.37317	2.5
659.24207	0.9
659.36957	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	659.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31936	0.3
56.45511	0.4
58.00562	0.5
59.01378	9.8
61.98821	0.6
69.03455	0.6
71.01384	5.2
81.03455	0.7
83.01408	2.0
85.02958	2.3
85.03381	0.4
85.31564	0.4
85.55536	0.3
89.02444	3.8
93.03457	1.8
95.01393	2.5
95.05023	0.9
97.02962	3.0
98.20718	0.8
101.02448	3.0
107.05038	0.7
108.02161	1.0
109.02957	10.0
110.03207	0.4
111.04536	2.2
113.02430	1.6
119.03492	1.2
121.02964	2.8
123.00886	4.2
123.04527	0.8
124.01669	7.4
125.02451	18.1
131.05020	0.5
133.06606	0.7
135.04495	0.9
136.01627	1.4
136.05296	4.0
137.02448	18.2
138.03235	19.1
139.04034	9.5
147.04546	0.9
147.08231	0.3
148.05295	0.7
149.02408	1.1
149.06039	1.6
150.03256	2.1
150.04205	0.4
150.06714	0.4
151.04018	1.9
155.03497	0.7
159.04567	1.7
161.02467	2.3
162.03188	0.8
163.00320	0.9
163.03993	1.0
163.99890	0.5
164.01157	6.3
164.04816	0.5
165.01923	24.7
165.09218	4.2
166.02507	1.3
167.03497	6.2
169.01372	1.9
170.02203	2.4
173.06126	0.5
175.04018	4.0
176.04823	1.0
177.01944	4.4
177.05553	4.7
178.02754	2.1
179.03500	4.3
180.04106	0.5
187.75691	0.4
189.01811	0.5
189.05508	0.5
190.02626	0.4
191.03455	1.3
193.05028	1.2
199.03932	0.4
201.05469	0.6
203.03502	4.4
204.04311	2.5
205.05034	1.3
217.05000	1.4
218.05791	1.7
219.06602	7.7
221.04556	8.6
229.05002	0.4
229.21362	0.5
242.05879	0.4
243.06581	0.5
245.04529	0.9
247.02382	1.3
249.29230	0.4
260.06946	0.9
263.05527	1.0
292.21497	0.4
299.16595	0.5
304.05862	1.0
311.16510	0.5
313.05621	0.4
339.15933	1.3
353.17438	0.4
435.21667	1.9
479.22748	4.0
488.31628	0.4
491.22861	3.8
493.24387	0.6
496.34549	0.5
497.34814	10.0
498.35217	1.0
519.22455	3.8
521.24072	0.9
533.23840	3.1
534.24579	0.6
547.33099	0.4
615.28040	3.3
616.28607	0.7
622.17889	0.4
659.27069	100.0
660.27405	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	659.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31936	0.3
56.45511	0.4
58.00562	0.5
59.01378	9.8
61.98821	0.6
69.03455	0.6
71.01384	5.2
81.03455	0.7
83.01408	2.0
85.02958	2.3
85.03381	0.4
85.31564	0.4
85.55536	0.3
89.02444	3.8
93.03457	1.8
95.01393	2.5
95.05023	0.9
97.02962	3.0
98.20718	0.8
101.02448	3.0
107.05038	0.7
108.02161	1.0
109.02957	10.0
110.03207	0.4
111.04536	2.2
113.02430	1.6
119.03492	1.2
121.02964	2.8
123.00886	4.2
123.04527	0.8
124.01669	7.4
125.02451	18.1
131.05020	0.5
133.06606	0.7
135.04495	0.9
136.01627	1.4
136.05296	4.0
137.02448	18.2
138.03235	19.1
139.04034	9.5
147.04546	0.9
147.08231	0.3
148.05295	0.7
149.02408	1.1
149.06039	1.6
150.03256	2.1
150.04205	0.4
150.06714	0.4
151.04018	1.9
155.03497	0.7
159.04567	1.7
161.02467	2.3
162.03188	0.8
163.00320	0.9
163.03993	1.0
163.99890	0.5
164.01157	6.3
164.04816	0.5
165.01923	24.7
165.09218	4.2
166.02507	1.3
167.03497	6.2
169.01372	1.9
170.02203	2.4
173.06126	0.5
175.04018	4.0
176.04823	1.0
177.01944	4.4
177.05553	4.7
178.02754	2.1
179.03500	4.3
180.04106	0.5
187.75691	0.4
189.01811	0.5
189.05508	0.5
190.02626	0.4
191.03455	1.3
193.05028	1.2
199.03932	0.4
201.05469	0.6
203.03502	4.4
204.04311	2.5
205.05034	1.3
217.05000	1.4
218.05791	1.7
219.06602	7.7
221.04556	8.6
229.05002	0.4
229.21362	0.5
242.05879	0.4
243.06581	0.5
245.04529	0.9
247.02382	1.3
249.29230	0.4
260.06946	0.9
263.05527	1.0
292.21497	0.4
299.16595	0.5
304.05862	1.0
311.16510	0.5
313.05621	0.4
339.15933	1.3
353.17438	0.4
435.21667	1.9
479.22748	4.0
488.31628	0.4
491.22861	3.8
493.24387	0.6
496.34549	0.5
497.34814	10.0
498.35217	1.0
519.22455	3.8
521.24072	0.9
533.23840	3.1
534.24579	0.6
547.33099	0.4
615.28040	3.3
616.28607	0.7
622.17889	0.4
659.27069	100.0
660.27405	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	659.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03611	0.5
52.86579	0.4
53.84702	0.5
55.23453	0.5
57.03436	1.7
59.01387	2.6
69.49955	3.5
71.01382	2.3
72.99272	0.5
77.09093	0.4
83.01379	0.9
85.02928	1.3
87.00910	0.4
95.01392	1.2
97.02973	0.6
101.02435	1.7
105.88126	0.4
107.01368	2.2
109.06593	0.7
111.00844	1.1
111.39513	0.5
113.02447	1.2
123.00883	8.7
124.01730	0.5
125.02444	13.2
126.02740	0.7
127.00358	0.8
135.08160	0.8
135.35219	0.5
136.98811	0.9
137.02492	0.5
138.06866	3.4
139.00374	2.8
140.01137	1.3
141.01923	1.2
151.00356	7.8
153.01994	0.7
153.09216	8.2
154.09532	0.5
160.27560	0.5
165.01871	0.6
167.03476	1.9
168.00586	2.5
169.01427	14.5
170.01805	0.5
177.01921	1.7
193.12299	1.2
211.02434	0.6
211.13318	2.7
255.12360	11.3
271.04596	0.8
313.05597	1.5
339.82034	0.5
403.12433	100.0
404.12766	8.4
654.38757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.8
57.48284	1.2
58.00592	1.2
59.01376	17.7
61.98829	8.0
66.82181	1.1
68.99792	1.2
69.44778	1.6
69.45181	7.0
71.01374	9.2
73.02937	1.9
75.00858	1.7
83.01384	4.5
85.02933	6.4
85.94219	1.3
87.00867	2.0
88.98824	2.0
89.02428	5.0
93.03442	2.5
95.01403	4.4
96.96003	6.0
97.02958	2.2
99.00853	2.2
100.48014	1.3
101.02441	5.2
107.01369	1.9
108.02193	2.4
109.02947	12.6
110.97595	3.3
111.00850	1.4
111.04521	2.8
113.02439	4.8
114.05601	1.1
116.92854	1.7
119.03502	2.0
121.02941	4.4
121.06602	1.3
122.03779	1.1
123.00891	4.5
123.04497	2.2
124.01709	7.2
125.02448	27.4
135.04523	2.4
136.05290	24.5
137.02457	15.9
138.03239	19.5
139.04044	7.9
149.06067	5.5
150.03275	1.6
150.06856	1.2
151.00388	2.2
151.03993	2.4
159.04572	1.3
161.02448	4.6
163.04030	1.3
163.07639	1.5
164.01114	6.0
164.08421	2.4
165.01950	20.4
165.09204	30.6
166.09518	1.0
167.03479	6.2
168.00589	1.6
169.01437	16.1
170.02098	2.8
175.03987	3.4
177.01909	5.6
177.05568	4.0
178.02625	2.7
179.03488	2.7
187.90309	1.1
191.03603	1.4
193.05121	1.2
203.03476	4.7
204.04248	1.6
205.05138	1.7
205.12439	1.0
211.02415	2.1
217.05173	1.7
218.05788	1.5
219.06587	6.5
221.04504	7.8
249.06047	1.3
339.16092	2.6
345.12564	1.2
361.79755	1.2
397.95303	1.4
453.15625	1.6
479.22580	2.8
483.07507	1.5
491.22647	3.1
495.33362	2.0
496.33804	4.1
497.34799	65.9
498.35385	5.3
507.28067	5.3
519.22406	3.3
533.24365	2.9
615.27631	4.6
641.25696	2.5
648.36511	1.2
659.27289	100.0
659.39386	4.1
660.27606	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	659.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36633	0.5
57.03458	1.1
59.01377	1.4
59.11646	0.5
61.98842	0.6
67.01877	0.6
69.03468	1.5
71.01388	1.6
71.52502	0.6
72.99288	0.5
74.52917	0.6
79.01880	0.8
81.03471	0.9
83.01385	0.9
85.02953	1.5
95.01373	0.9
96.96004	0.6
97.02963	1.6
101.02448	0.8
107.01394	5.2
109.02974	0.8
111.00899	2.8
113.02456	1.2
121.03024	0.5
123.00868	3.0
124.01667	2.3
125.02444	42.1
126.02783	1.1
127.00385	0.7
134.03749	5.6
136.98750	1.6
137.02438	1.4
137.09705	2.2
139.00371	3.7
140.01151	3.7
143.03552	1.0
149.06100	1.3
151.00343	2.7
153.01981	0.7
161.02446	0.7
163.11215	3.0
168.00652	7.7
169.01419	45.9
170.01758	1.6
178.02716	2.7
179.03481	0.8
183.02974	100.0
184.03250	3.5
191.03380	0.5
193.05035	5.3
201.09239	1.0
203.03375	0.5
211.02467	1.6
217.12312	6.6
235.13396	3.8
245.42349	0.5
271.04529	0.9
295.04517	1.7
313.05615	6.4
327.12506	0.5
335.04050	17.2
336.04395	1.6
368.61365	0.5
465.06784	3.8
477.17816	0.7
507.11539	4.7
619.97717	0.5
658.34552	0.9
659.12408	45.6
660.12860	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	659.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
71.01392	1.9
71.54843	1.5
78.78139	0.9
79.01862	1.1
85.02518	1.0
85.02945	5.7
87.00908	1.5
93.03461	8.5
107.01404	5.9
108.02174	3.5
109.02962	2.8
111.00920	1.2
111.04526	2.0
121.02998	0.8
123.00832	1.3
125.02442	50.4
126.02793	1.7
137.02431	2.8
142.87805	1.0
151.03857	1.0
152.01143	3.2
153.01880	1.7
155.03491	2.1
169.01421	100.0
170.01762	3.8
173.04543	23.0
177.01949	1.4
191.05612	30.0
192.06020	1.1
195.12308	1.0
195.13901	6.1
211.02397	0.9
315.07153	6.6
316.07443	1.4
323.84311	1.2
343.06674	83.1
344.07172	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	659.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62667	0.5
57.03460	1.2
59.01378	2.9
68.89565	0.5
69.03459	2.5
69.44949	2.6
69.45363	1.0
71.01391	3.7
72.99316	0.8
73.02956	1.5
75.66220	0.6
79.01917	1.0
81.03468	0.7
83.01397	1.2
85.02962	3.0
87.00879	2.1
89.02455	1.8
95.01400	2.0
97.02964	2.1
97.06607	0.7
99.00889	1.2
101.02433	2.7
107.00707	0.9
107.01396	11.1
109.02912	1.0
109.06609	0.5
111.00883	2.3
113.02459	2.2
119.04937	0.5
121.02927	0.8
123.00883	12.8
124.01682	2.6
125.02449	55.4
126.02771	1.4
136.98792	0.9
137.02472	0.7
139.00391	5.7
140.01144	3.1
141.01950	1.7
149.02487	0.7
151.00366	7.2
151.05141	0.5
153.01964	1.7
161.04543	2.0
163.03955	1.1
167.03473	2.8
168.00653	4.8
169.01422	68.8
170.01775	2.3
175.04071	0.6
177.01924	2.7
181.01428	0.9
181.05040	0.6
191.05627	4.1
193.01538	0.7
193.05225	0.7
193.07089	1.3
193.12300	0.9
195.13911	2.0
197.91573	0.5
211.02444	5.1
237.03926	0.8
253.03587	0.8
257.14029	0.9
271.04575	8.4
295.04602	1.5
300.86816	0.5
313.05673	5.6
329.67892	0.6
489.12665	1.9
507.13519	21.1
508.13892	2.3
629.60675	0.6
659.14606	100.0
660.14886	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	659.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89975	1.2
59.01386	2.8
61.98837	2.1
62.86013	1.2
67.01923	1.2
69.03468	1.5
71.01385	4.3
71.53600	1.4
72.99304	2.6
85.02947	1.8
95.01359	2.9
96.95997	2.8
97.02924	3.0
99.00870	2.5
101.02454	1.6
107.01388	10.4
109.02958	2.3
111.00861	2.1
113.02448	3.6
123.00901	8.1
124.01662	4.0
125.02451	91.8
126.02782	2.4
134.03726	10.4
135.04419	1.7
136.98798	1.7
137.02466	3.1
137.09804	1.4
139.00340	4.0
140.01144	2.9
143.03484	1.6
149.06041	2.1
150.03122	1.6
151.00360	4.9
151.03986	1.7
155.18155	1.4
163.11256	1.5
167.03444	1.8
168.00642	7.9
169.01427	93.6
170.01735	2.6
178.02681	7.0
181.01384	1.4
183.02985	47.1
184.03221	1.3
193.01358	1.8
193.03568	1.5
193.05025	8.5
211.02463	2.4
217.12300	4.1
219.53854	1.4
235.13268	1.2
254.19270	1.4
273.62936	1.2
295.04593	2.1
298.02008	1.4
313.05698	15.2
335.04111	9.3
351.94427	1.5
358.23938	1.5
465.06464	7.7
472.58173	1.6
479.61151	1.6
495.75854	1.4
507.11581	11.4
655.78717	1.5
658.33856	5.3
659.12445	100.0
659.34033	5.3
660.12817	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	658.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03105	2.2
59.01363	2.7
71.55416	3.7
75.00883	2.7
76.18368	2.5
85.02940	2.9
87.61876	2.1
90.49159	2.1
96.96008	6.0
107.38573	2.4
109.76437	2.0
113.02386	2.4
124.01628	2.3
125.02386	12.4
136.01659	2.5
137.02455	2.8
151.00352	6.8
169.01427	14.0
177.73698	2.2
178.99850	5.7
189.21266	2.6
214.02660	6.1
242.02196	3.8
259.02518	7.0
270.01578	6.9
271.02393	39.0
271.04901	3.5
272.02679	5.1
287.01984	24.9
312.52820	2.2
316.02213	100.0
317.02725	13.2
555.56799	2.8
595.12964	98.5
595.22491	5.2
596.13391	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	657.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03604	1.0
59.01220	2.9
59.01569	2.2
60.39184	0.5
61.98652	2.7
61.99014	2.3
67.04837	0.5
71.01169	1.5
71.01592	1.8
72.99461	0.7
83.01163	0.5
83.01598	0.8
83.05228	0.6
85.02701	0.6
85.03121	0.8
87.01080	0.6
95.01019	1.0
95.01604	1.1
96.95609	1.1
96.96243	1.5
99.01097	0.6
99.04706	0.7
101.02664	1.0
107.00964	1.2
107.01657	1.8
109.03159	1.0
111.00411	0.7
111.01120	1.3
113.01973	1.0
113.02705	1.3
121.03402	0.5
121.06837	0.7
123.00227	1.3
123.01192	5.7
124.01927	0.8
125.01725	2.3
125.02748	11.0
126.03020	0.7
129.76135	0.5
135.04774	0.6
135.08395	1.1
136.05531	1.2
136.99103	0.6
137.02748	1.4
137.06328	0.9
137.09961	0.6
139.00713	2.6
139.04199	0.8
140.01477	2.0
141.02156	0.7
141.13159	0.7
148.05646	1.7
149.06419	4.7
150.05240	1.8
150.07201	47.7
151.00713	4.2
151.04262	0.8
151.07791	1.7
153.02155	0.7
155.00208	0.5
161.02754	1.5
163.07999	8.0
163.11482	0.7
164.07253	0.9
164.08754	8.0
165.09427	1.0
167.03802	0.8
168.00919	1.2
169.00179	0.9
169.01770	9.8
171.09241	0.6
171.10507	1.0
171.31332	0.6
176.08673	1.0
178.10338	2.8
179.09387	2.6
179.11136	24.1
180.11475	1.6
209.10097	0.7
209.12196	9.9
210.12456	1.2
211.13754	6.3
227.13094	1.0
253.09583	0.8
289.07501	0.8
313.05908	0.6
369.23007	1.1
462.33249	1.0
470.89746	0.6
477.35828	1.0
480.34583	10.7
481.35229	1.7
493.30182	1.0
494.36197	9.2
495.36960	100.0
496.37274	12.9
627.33960	1.3
657.34583	44.4
658.24792	0.7
658.35107	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	657.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88532	0.7
57.03424	1.0
59.01379	6.4
61.98835	14.2
67.89434	0.8
69.22379	7.1
71.01400	3.6
78.95898	1.2
79.95709	1.0
83.04998	1.1
85.02946	2.5
87.00900	0.8
89.02451	1.2
95.01392	0.8
96.95994	1.6
98.19881	1.2
99.04549	0.8
101.02435	1.5
106.06624	1.5
107.01365	0.8
108.04549	1.5
109.02969	1.6
109.06614	1.2
111.04515	2.7
113.02442	2.4
121.06598	2.7
122.03737	1.1
123.00901	1.1
125.02437	10.4
135.04565	2.0
135.08150	1.1
136.05296	44.8
136.07625	3.3
137.02400	2.0
137.05846	0.7
139.04010	1.2
139.11243	1.0
147.08160	2.0
148.05304	1.7
149.06104	7.4
150.05695	0.9
150.06857	21.1
151.00339	1.1
151.07445	1.1
161.02412	4.0
161.04729	0.8
162.02818	1.0
162.06805	1.2
163.07629	8.9
164.04819	1.0
164.08452	3.9
165.09204	55.5
166.09518	1.7
167.03505	0.9
169.01421	6.3
169.12215	1.0
170.01796	0.8
177.01945	1.1
178.05066	1.0
178.09964	1.6
179.10770	5.4
183.66547	0.8
185.11787	1.3
209.11844	8.2
211.13388	7.6
216.28946	0.8
227.12849	1.0
237.10326	1.6
251.11711	1.3
253.09326	1.5
257.12906	9.2
263.07935	0.9
264.09033	1.9
279.11423	7.4
297.12408	1.1
311.22348	1.7
325.22849	1.1
327.21704	1.5
327.25259	1.0
329.23294	29.2
330.23657	2.5
369.22803	2.4
375.27362	1.2
436.18640	3.9
477.32071	8.0
478.32840	1.2
480.34482	3.5
494.32321	3.1
494.37308	1.4
495.33258	30.7
495.36816	19.0
496.33569	3.0
496.38486	1.4
509.34915	1.6
537.33929	1.3
563.23297	6.6
567.66473	0.8
581.24103	10.1
582.24103	1.2
607.22113	1.8
625.23151	4.4
626.23352	1.0
639.24646	1.0
657.26465	5.1
657.38568	100.0
658.25897	1.8
658.38867	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	657.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85802	1.3
54.58688	1.4
57.03452	2.9
59.01379	10.3
61.98817	7.1
69.19537	2.9
69.19949	10.8
71.01377	7.8
72.99294	1.8
80.87438	1.4
81.03476	1.5
82.46220	1.8
83.01351	1.8
83.05057	1.3
85.02931	3.6
86.31022	1.4
87.26006	1.4
89.02434	2.8
94.98532	1.3
95.01375	2.9
96.96021	2.5
101.02427	4.0
107.01399	6.7
109.02958	2.4
111.00845	2.8
113.02436	3.3
123.00894	14.7
125.02455	37.5
127.00359	1.8
132.49344	1.6
136.05295	2.9
139.00339	6.2
139.04047	1.7
139.46452	1.4
140.01117	4.5
150.06847	13.9
151.00369	6.9
151.04007	2.1
151.07207	1.3
161.02417	5.7
162.24834	1.7
163.07603	5.8
164.08333	3.1
168.00624	4.0
169.01425	31.6
177.04018	2.1
179.03499	1.8
179.10715	7.1
181.23251	1.4
209.11833	18.2
210.12109	3.4
211.13451	13.7
227.12914	3.5
251.16432	3.1
253.09103	2.8
271.04477	1.7
295.15405	4.0
313.05585	1.7
323.18585	4.3
325.24033	1.6
346.89621	1.5
357.26419	2.8
369.22714	3.2
470.38022	1.8
480.34689	3.6
493.35263	2.2
494.35718	4.5
495.37167	20.6
496.37515	1.5
499.58005	1.4
550.09009	1.8
627.34180	1.9
657.34808	100.0
658.35266	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	657.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.3
59.01375	6.0
61.98825	9.6
69.03429	1.1
69.06427	0.7
71.01378	5.0
72.14855	0.7
72.99291	1.8
75.00850	1.2
78.95901	4.9
81.03397	0.7
85.02946	3.7
87.00866	1.4
89.02432	2.1
93.03422	1.4
95.01362	1.2
96.36417	0.8
96.95973	3.0
97.02912	1.3
97.06598	1.1
99.00905	1.9
101.02425	2.4
105.01888	1.1
108.02177	49.6
109.02993	9.6
111.04519	1.0
113.02412	2.3
116.92849	1.7
119.05053	1.0
121.02937	1.1
121.06586	1.9
122.03738	4.2
123.00832	1.9
123.04520	2.6
125.02451	8.6
135.04570	1.4
136.05298	21.3
137.02394	2.1
137.06105	4.0
139.03976	1.4
147.08148	1.0
148.05229	0.9
149.02391	0.9
149.06081	13.9
150.06854	5.1
151.00391	1.0
151.03989	1.6
151.07629	1.9
152.01149	89.8
152.99541	2.8
153.01904	4.6
154.02226	0.7
161.02382	1.8
161.04584	0.9
162.06758	1.3
163.04004	5.1
163.07597	1.9
164.08368	2.8
165.01939	1.5
165.09203	28.7
165.12766	3.0
166.09544	1.3
167.03477	1.8
169.01404	5.4
171.10231	3.4
177.01881	2.2
179.03456	1.1
183.13910	14.9
191.10773	4.8
193.12267	1.0
203.02856	0.7
207.10152	1.9
209.11761	2.8
211.13367	1.1
227.12856	4.5
241.01105	1.3
287.14948	1.4
293.21268	1.3
315.07025	0.9
323.18259	0.9
337.19965	3.2
341.23404	1.0
366.20303	1.9
369.22351	1.3
403.11914	0.9
419.85919	0.7
429.10358	7.4
437.28909	1.8
447.11487	8.3
477.32132	1.1
494.32144	2.3
495.20624	2.4
495.33185	100.0
496.33545	8.0
499.25537	0.9
518.58484	0.8
613.24756	2.6
639.22638	1.9
657.23706	84.5
658.23975	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	656.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06652	3.0
57.08038	3.0
59.01382	5.7
61.98829	100.0
109.14019	3.7
121.02979	21.0
125.02457	11.4
137.02473	4.9
167.03516	4.4
169.01424	7.1
207.10271	7.6
209.04527	17.0
209.11868	7.2
211.13335	17.9
213.64975	3.7
221.20377	3.3
225.11346	3.8
245.22377	3.5
593.12976	13.9
655.33429	6.3
656.34332	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	655.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58566	0.9
55.01854	1.0
57.03451	1.2
59.01377	8.4
61.98824	14.7
65.00340	0.9
67.01871	1.2
69.03438	1.0
70.76535	2.2
71.01386	4.6
73.02924	1.8
83.01365	1.4
83.05006	1.9
85.02940	2.5
85.74427	0.9
87.00849	1.1
88.98816	1.1
89.02438	2.0
91.21800	1.0
95.01382	1.6
96.95995	1.7
97.02961	1.4
97.06596	1.0
99.04536	1.0
101.02451	2.3
106.06575	1.2
107.01360	4.0
108.02111	1.1
108.04518	3.2
109.02996	1.7
111.00874	2.2
113.02413	1.9
121.02966	1.1
123.00883	10.1
125.02451	19.6
127.00367	1.1
135.08136	1.5
136.05284	2.9
136.07674	2.3
137.02373	2.1
137.06029	1.6
139.00357	3.2
140.01122	2.6
149.06058	4.6
150.06859	46.9
151.00395	6.6
151.04033	1.0
151.07478	1.6
152.01202	0.9
153.01913	1.5
160.03960	1.1
161.02457	2.4
163.07642	10.9
164.08437	6.9
165.09161	1.1
167.03511	1.0
169.01425	18.0
170.01698	1.3
171.10190	1.9
178.09955	2.3
179.10767	24.6
207.10159	1.5
209.11809	31.5
210.12184	3.3
211.13307	1.7
225.11249	1.3
227.12875	1.4
246.08089	1.0
249.10078	0.9
251.08499	1.0
251.11880	1.3
252.09029	2.3
253.09319	2.6
254.37759	1.0
257.12955	6.7
267.11465	1.4
277.09726	1.3
293.09241	1.2
295.10861	9.1
306.17889	1.3
321.08664	3.6
321.20612	1.9
335.22061	1.4
339.09793	1.7
364.22397	2.5
367.21210	1.7
401.23050	1.5
417.74680	1.0
419.25287	1.1
435.30725	1.3
436.18689	4.1
478.33020	4.7
492.34744	7.1
493.35434	100.0
494.35678	13.9
579.22400	9.4
580.22864	3.9
623.21442	10.3
624.21722	3.3
637.32269	2.8
655.24060	5.3
655.33264	62.9
656.33417	10.1
669.09332	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72909	1.0
57.03426	1.7
59.01379	10.2
61.98826	10.4
67.01875	1.6
69.03452	1.5
69.26132	8.6
71.01375	7.0
71.05041	1.1
72.99285	1.2
73.02929	2.2
79.01872	1.2
83.01371	1.1
83.05003	3.5
85.02937	2.5
87.00852	2.3
88.03739	1.1
88.98795	1.4
89.02444	2.3
93.23396	1.0
95.01367	2.9
96.95999	1.0
98.20705	1.8
99.00840	1.1
99.04503	2.1
101.02425	3.3
106.06625	1.7
107.01363	4.7
108.04523	1.9
109.02930	2.5
109.06608	1.0
110.00074	1.0
111.00876	2.5
113.02423	2.6
121.02942	1.1
123.00877	15.1
125.01525	1.2
125.02438	21.0
126.02747	1.7
132.04500	0.9
136.05258	3.6
136.07639	2.9
137.02409	1.2
137.06114	1.5
139.00401	5.2
139.03960	0.9
140.01129	3.4
148.05302	1.0
149.06024	4.0
150.06857	46.9
151.00346	7.8
151.07312	1.8
152.01175	0.9
153.01944	1.7
153.05493	0.9
158.66190	1.0
160.04024	1.3
161.02412	1.4
163.07625	10.3
163.11275	1.4
164.08362	6.3
165.01913	0.9
165.09093	1.5
167.03531	1.1
168.00615	2.6
169.01419	19.4
171.10254	2.2
175.04042	0.9
177.01825	1.1
178.09935	2.7
179.10776	27.5
180.11176	1.2
182.12453	0.9
202.05031	1.0
207.10179	1.6
208.10106	1.0
209.11812	40.0
210.12128	1.5
211.13254	2.2
227.12830	2.2
238.66280	1.0
251.08214	1.1
252.08731	1.6
253.09529	2.3
257.12903	5.7
267.11276	1.2
277.09897	1.2
288.50790	0.9
293.09317	1.3
295.10864	8.9
306.18134	1.1
320.19727	1.5
321.08688	4.0
339.09753	2.0
364.22543	1.9
367.21268	1.8
401.23102	1.3
419.24301	1.2
436.18637	3.7
478.32779	7.0
492.34732	5.4
493.35400	100.0
494.35803	11.4
579.22363	9.9
580.22595	1.4
623.21527	9.4
624.21210	2.2
625.32098	2.0
637.32123	3.3
655.24707	4.4
655.33203	72.2
656.33765	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	655.333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98830	83.2
67.83035	4.4
69.87292	19.9
71.64746	3.9
96.99301	5.3
97.02937	6.4
97.95205	4.6
115.22257	4.2
117.27142	4.1
125.02429	5.1
141.01703	60.1
142.05043	8.4
211.13344	8.5
257.04904	4.3
277.21762	4.2
340.11261	4.2
391.19568	4.6
492.04337	4.7
524.20880	4.8
682.23273	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	655.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.9
59.01383	43.7
61.98826	20.0
63.20344	4.1
69.03458	12.5
70.90823	11.6
71.01375	29.3
72.30111	3.9
72.99326	4.5
73.02962	10.1
81.65945	4.3
83.01385	5.8
83.05032	11.1
85.02962	16.2
87.00871	11.7
89.02444	15.5
93.03461	7.2
95.05018	15.8
97.02940	7.9
97.06573	5.4
101.02438	18.2
109.06590	20.0
111.74366	4.3
113.02425	13.2
113.47250	4.1
116.42829	4.6
119.03455	8.2
123.04528	5.5
123.08128	5.5
125.02442	28.5
125.09705	5.1
137.06071	13.4
137.09720	5.5
149.09741	10.3
157.08693	4.4
163.11322	13.4
165.05560	10.4
169.01419	19.1
171.10251	100.0
174.69855	4.6
183.10216	15.2
183.13850	5.9
185.11754	5.0
203.14368	13.9
207.10255	44.6
209.11803	80.8
211.13379	60.7
219.14003	4.3
225.11281	28.0
229.12277	5.3
229.14604	7.4
235.08177	17.0
237.14970	8.4
247.13402	45.1
253.09303	27.0
253.14476	9.4
265.14468	26.7
339.23300	7.7
357.24316	8.4
373.23520	8.5
383.22275	14.1
391.24930	16.6
401.23300	28.6
409.26147	8.5
419.24466	24.6
435.27365	13.4
437.25082	7.5
443.19125	7.6
461.20316	7.8
595.38123	8.4
609.32257	5.6
613.39746	6.0
619.31390	16.8
627.33667	21.9
637.32233	47.2
655.32013	55.9
655.41547	16.7
656.33276	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	655.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56394	0.7
57.03438	0.9
59.01371	4.7
61.98832	7.0
65.00307	0.8
68.99565	2.2
69.16801	2.5
69.17226	4.7
71.01370	2.5
73.02904	0.7
77.53687	0.7
78.95883	0.8
85.02931	1.0
89.02444	1.1
95.05014	0.8
101.02454	1.3
107.01396	1.0
109.02959	5.6
112.98555	1.3
113.02456	1.5
116.92847	0.9
123.00856	1.9
124.01675	1.4
125.02459	8.5
125.09728	1.0
127.16402	0.7
137.01457	1.1
137.02454	21.4
137.05998	0.8
139.00412	0.9
145.02943	1.9
148.05327	1.2
150.06889	3.3
151.00423	1.1
161.02464	1.5
162.03270	0.7
163.00366	2.9
163.04016	1.8
163.07668	1.5
164.01164	1.8
165.01903	2.5
168.00670	1.0
169.01447	5.7
171.10228	3.4
177.01982	5.3
179.10831	1.1
189.01947	27.9
190.02425	2.2
190.99825	1.3
191.03500	0.8
203.03458	0.8
205.01416	1.7
207.10194	0.9
209.11749	1.6
211.13348	2.3
217.01355	2.5
217.12178	0.8
225.11288	1.4
241.04996	0.8
247.13373	1.9
265.14276	0.9
269.04236	0.8
271.06128	0.9
281.04587	1.3
297.04095	1.3
299.05426	0.8
309.04050	2.0
314.04105	0.7
315.05035	1.9
327.05188	3.3
327.12479	1.1
328.06058	0.8
329.02921	1.8
341.03101	1.0
342.03510	1.6
343.04437	3.9
343.15298	2.3
344.05273	5.2
345.05692	0.8
355.04599	42.8
356.04938	3.9
371.14709	0.9
383.22189	0.8
401.23141	1.2
434.07095	0.8
463.17661	1.2
492.33609	1.1
493.15155	2.9
493.35110	3.0
508.17349	35.6
509.18048	21.9
510.18274	2.5
579.22131	1.0
595.38446	1.4
637.32031	2.5
655.23883	100.0
655.33490	10.7
656.13916	1.3
656.24261	17.0
656.32605	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84397	1.1
59.01375	8.4
61.98830	15.4
67.01887	1.6
69.03433	1.6
71.01380	6.0
71.55006	1.2
71.55378	1.4
75.36907	1.3
83.01394	2.1
85.02954	3.0
87.00890	2.0
89.02444	2.7
91.28242	1.4
95.01373	2.3
96.95997	2.4
101.02438	2.9
107.01389	12.0
109.06584	1.3
111.00885	4.2
113.02423	1.8
121.00474	1.4
123.00891	12.2
124.01641	2.3
124.78982	1.3
125.02446	42.4
131.39287	1.2
136.05315	1.5
137.02496	1.8
137.06113	2.7
139.00357	5.1
140.01134	3.2
141.01874	1.3
149.06070	1.6
150.06876	11.7
151.00427	7.3
163.07590	4.3
165.05534	1.2
167.03528	1.5
168.00607	5.1
169.01424	49.0
170.01787	2.0
171.10202	7.2
177.01833	1.6
179.03416	1.2
179.10786	6.3
187.88889	1.2
207.10312	2.2
209.11852	4.3
211.02451	4.3
211.13370	5.1
225.11305	2.6
230.54189	1.7
235.08333	1.4
247.13338	5.4
265.14365	1.3
271.04474	5.3
312.10370	1.2
313.05643	2.5
383.22208	1.7
401.23328	2.4
478.32938	1.6
492.34106	3.6
493.35626	26.7
503.19193	29.0
504.19876	2.4
637.32257	6.0
655.20325	100.0
655.32666	8.4
656.20660	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	653.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10539	0.4
52.67460	0.4
57.01801	0.4
58.59179	0.4
61.98828	100.0
125.02462	1.5
142.93460	0.5
168.96600	0.4
169.01341	0.5
230.00766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1153
Annotation	Gossypetin 3-glucuronide-8-glucoside
Peak:m/z	Relative Intensity
53.48342	0.9
55.63496	0.9
59.01373	4.7
61.21767	0.9
63.02399	2.0
65.00320	2.4
69.37763	6.2
71.01389	7.0
73.02947	2.1
73.61272	1.0
74.74993	1.1
75.00872	3.0
78.80299	0.9
79.72738	0.9
83.01376	2.6
85.02953	3.2
87.00866	1.1
95.01384	1.1
96.96008	2.7
99.00866	1.9
107.01393	5.9
109.02943	3.3
113.02463	5.0
121.02988	1.4
125.02428	3.2
137.01476	1.2
137.02449	17.4
143.67178	1.0
151.00368	32.1
163.00420	2.3
164.01205	1.8
164.02579	1.0
165.01958	1.0
169.01410	3.5
175.02489	1.2
178.99855	24.7
186.38536	1.0
192.00652	2.1
193.01350	1.2
193.99983	1.1
199.91824	0.9
227.03458	1.5
235.49367	1.0
249.06184	1.6
271.02399	2.8
279.80551	0.9
299.01984	2.2
316.02231	5.9
317.03021	100.0
318.03372	8.0
437.26324	1.0
479.08301	18.0
480.08737	1.9
493.06256	25.7
493.19363	2.7
494.06506	2.2
537.21826	1.2
579.17596	2.2
602.06635	1.1
623.16498	1.1
655.11340	15.3
655.32849	7.1
656.11816	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	653.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
57.03441	1.3
58.00591	1.8
59.01379	39.8
61.98833	4.1
68.66378	0.7
69.03444	1.9
71.01383	37.2
72.01749	0.8
72.99298	3.0
73.02944	7.7
75.00873	0.8
78.95879	1.2
81.03465	1.2
83.01381	4.5
85.02948	8.2
86.00136	0.9
87.00874	10.4
89.02442	35.2
92.22274	0.8
95.01376	3.0
97.02946	6.5
97.55291	0.8
99.00869	2.6
101.02442	34.6
109.02950	1.1
111.00901	1.0
111.04505	1.0
113.02448	15.8
115.04028	1.0
119.03503	10.6
121.02937	1.0
125.02438	14.7
131.03500	1.5
133.05080	1.3
143.03529	7.0
152.99591	0.9
161.04547	7.3
167.03423	1.1
169.01387	1.2
179.05606	6.9
215.49409	0.8
217.07146	1.1
221.06625	3.6
232.85426	0.8
235.08243	14.1
253.09236	4.7
255.23288	100.0
256.23615	8.3
263.07639	1.4
287.07794	4.0
305.08850	4.3
323.09863	3.0
379.12634	0.9
396.46707	0.9
397.13492	93.4
398.13773	5.4
415.14554	34.8
416.14813	2.5
416.49316	0.9
653.15393	0.9
653.25787	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	0.3
62.96388	0.6
70.40060	0.7
78.95904	100.0
139.64362	0.3
149.00095	5.4
151.00021	0.2
152.99611	1.0
158.92624	0.3
160.50418	0.2
165.43565	0.2
179.01151	0.4
199.09831	0.3
205.15970	2.3
255.23184	1.2
285.12637	4.0
339.13562	0.3
355.16779	2.5
361.33411	0.2
377.71198	0.3
385.17798	1.2
417.12604	0.4
447.13446	4.9
448.13879	0.5
563.34180	0.3
653.30090	49.6
654.30426	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	653.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
57.00939	0.6
57.03457	0.8
58.00584	1.3
58.71345	0.6
59.01381	38.5
61.98844	3.2
69.03455	1.9
71.01383	34.6
72.99303	2.9
73.02950	5.5
75.00877	1.2
81.03446	1.2
81.71697	0.6
83.01383	4.6
85.02958	8.2
86.53253	0.6
87.00877	8.0
89.02448	33.4
90.40163	0.6
91.03997	0.9
95.01385	2.5
97.02956	7.1
99.00872	2.9
101.02447	26.8
111.00883	0.7
111.04499	1.1
113.02457	13.0
119.03510	10.4
121.02882	0.7
123.00853	0.7
124.01640	1.0
125.02450	13.0
131.03494	1.9
133.05061	1.2
136.07785	0.6
139.04022	0.9
143.03520	7.0
161.04539	6.8
179.05618	7.1
217.07091	1.1
221.06700	2.5
229.31598	0.8
235.08218	15.1
253.09332	3.3
255.23296	100.0
256.23605	6.8
263.07733	2.3
277.09253	0.8
287.07733	3.2
305.08725	4.8
323.09912	1.7
379.12335	1.3
390.65619	0.6
397.13507	82.9
398.13806	8.0
415.14557	30.2
416.14938	2.0
443.75116	0.7
486.99625	0.7
557.12860	0.7
594.44653	0.7
653.26483	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.4
61.98827	4.0
65.00326	0.4
67.01900	0.8
69.03468	1.0
70.69444	0.9
71.01389	3.6
72.99333	0.8
73.02956	0.7
75.00864	1.0
79.01903	1.0
81.03476	0.4
83.01389	1.2
85.02960	1.7
87.00894	1.3
89.02465	1.3
93.03461	0.6
95.01374	2.6
96.52479	0.3
96.96005	0.7
97.02966	1.1
99.38654	0.4
101.02444	2.2
107.01395	9.5
109.02933	0.4
110.00053	0.4
111.00884	3.3
113.02460	1.7
119.05010	0.5
123.00883	11.5
124.01723	2.2
125.02446	43.4
126.02789	1.3
127.00364	0.6
136.05305	0.8
136.98834	2.0
137.02455	1.4
139.00357	5.3
140.01202	4.1
141.01920	1.6
141.09210	1.5
143.03522	0.4
145.02963	0.4
150.06894	0.4
151.00363	9.2
151.03961	0.5
153.01900	0.9
162.64058	0.4
163.03966	0.7
165.09242	0.7
166.99852	0.9
167.03499	1.0
168.00652	6.8
169.01422	55.2
170.01804	1.6
175.04079	0.4
177.01883	0.7
179.03473	0.7
181.01393	0.9
193.01390	0.8
193.05127	0.4
209.04599	0.6
211.02464	1.9
237.03973	0.8
253.03467	0.7
271.04593	1.8
285.04092	0.5
295.04694	1.2
313.05637	3.2
448.78394	0.4
483.18900	1.6
491.30087	2.4
501.19714	18.3
502.20313	2.4
653.20831	100.0
654.21155	14.0
654.30786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50219	0.8
56.26716	1.0
57.03444	2.2
59.01384	9.8
60.99281	1.0
61.98840	2.2
66.78830	0.8
66.91512	0.8
67.01891	2.5
69.03452	1.9
69.76365	5.2
70.34909	0.9
71.01379	7.1
72.99296	1.7
73.02945	2.3
75.00858	1.8
81.03468	1.0
83.01362	1.5
85.02954	6.4
87.00871	2.0
87.04536	1.3
88.98826	1.6
89.02446	2.5
93.03422	1.3
94.24191	1.0
95.01382	4.2
96.96017	2.8
97.02909	1.0
99.00879	1.8
101.02419	2.9
107.01380	11.1
110.33682	1.0
111.00877	4.0
113.02457	6.9
123.00885	14.2
123.04542	1.4
124.01620	3.0
125.02444	50.9
125.09717	1.1
126.02772	1.2
127.00356	1.1
130.08736	1.3
136.98766	1.7
137.02440	2.7
139.00403	6.6
140.01152	3.4
141.01959	1.5
151.00366	7.3
161.02505	1.5
163.03993	1.3
167.03377	1.4
168.00613	5.8
169.01424	60.9
170.01711	2.3
171.10178	2.4
173.04546	1.1
181.04980	1.1
201.11292	2.8
211.02448	3.1
215.12849	3.0
233.42096	0.9
259.83096	1.1
271.04562	4.0
277.30551	1.0
309.61484	0.9
313.05490	4.0
371.24347	1.7
389.25461	12.9
390.25897	1.4
457.17230	2.8
465.13727	1.3
465.19885	1.2
483.18616	1.7
501.19687	16.7
502.20026	3.4
535.30676	1.3
609.18768	3.1
617.14789	2.8
653.20758	100.0
653.33313	31.2
654.20660	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	653.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01144	0.5
59.01379	5.5
67.01881	1.0
69.03458	1.1
71.01372	3.9
72.99294	1.4
73.02944	6.1
75.00861	1.1
81.03439	0.7
83.01389	1.1
85.02964	3.0
85.69497	0.6
87.00845	1.0
89.02425	0.7
95.01382	2.4
96.96011	0.9
97.02926	1.3
99.00859	1.5
101.02419	1.2
103.00411	0.7
107.01390	8.7
107.65131	0.5
108.02172	0.7
111.00875	3.0
113.02457	3.5
116.92857	1.5
123.00894	9.5
124.01665	2.9
125.02441	41.4
126.02755	1.4
127.00288	1.4
128.05023	0.7
131.03786	1.2
134.03740	1.4
135.04453	0.6
136.98788	1.0
137.49104	0.7
139.00389	5.1
140.01167	3.9
141.01886	0.9
144.04521	2.2
146.06093	1.8
151.00357	7.3
153.01945	0.8
160.04031	2.1
163.03978	0.9
165.01913	0.7
168.00648	6.6
169.01418	46.7
170.01738	1.6
175.03955	0.8
177.01828	0.9
178.02608	0.9
190.05081	2.2
193.01378	0.8
193.05086	1.8
211.02460	4.0
219.05287	1.0
230.02669	0.6
241.80760	0.6
249.06107	1.5
249.08600	0.8
253.03453	0.7
271.04623	2.5
295.04816	0.8
300.12619	0.6
313.05582	3.6
389.25562	1.8
414.78271	0.6
438.71304	0.6
483.07623	0.8
483.18604	1.4
501.19775	26.3
502.20206	1.9
550.17670	0.7
609.21790	3.8
635.21484	0.6
653.20782	100.0
653.32263	8.2
654.21075	16.7
654.32086	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	653.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.5
57.03452	0.5
59.01379	4.4
59.24086	0.5
61.98837	2.6
65.00327	0.4
67.01868	1.1
69.03473	1.0
69.48682	3.1
71.01379	3.6
72.99309	0.8
73.02940	0.7
79.01894	1.4
81.03455	0.5
83.01376	1.0
85.02947	2.1
87.00877	1.2
89.02487	0.5
95.01389	2.4
96.95999	1.7
97.02955	1.7
99.00870	0.8
101.02439	1.6
107.01395	10.0
107.91319	0.4
109.02962	0.6
111.00881	3.5
113.02456	1.7
119.05033	0.7
123.00891	12.3
124.01629	1.9
125.02451	43.5
126.02768	1.5
127.00358	1.2
128.93529	0.5
135.04590	0.5
136.98793	1.6
137.02406	1.0
139.00375	5.2
139.04037	0.9
140.01175	3.8
141.01936	0.5
141.09213	1.7
151.00383	10.2
153.01941	1.0
161.02492	0.6
163.03923	0.5
166.99835	0.5
167.03499	0.5
168.00659	6.8
169.01431	55.4
170.01804	2.1
179.03479	0.7
181.01424	0.8
181.05084	0.8
184.08376	0.4
193.04996	0.6
207.02936	0.4
209.04633	0.5
211.02448	2.3
237.04041	0.7
253.03517	0.4
264.62854	0.5
271.04584	1.8
295.04532	1.2
297.06308	0.5
313.05759	3.6
483.18826	1.3
484.98474	0.5
491.29654	0.5
501.19739	18.6
502.20508	2.0
534.66302	0.5
609.18182	0.5
653.20837	100.0
654.21222	12.9
661.34564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31034	0.8
54.62348	0.8
59.01379	4.4
67.01877	1.5
69.03450	1.1
69.38343	5.4
69.38744	2.2
71.01375	3.1
79.81993	0.8
81.01260	1.0
85.02959	5.1
89.02432	1.3
93.03455	10.0
94.78606	0.9
96.95990	1.1
97.02916	1.3
107.01389	6.0
111.00851	1.1
111.04501	2.6
113.02454	1.2
125.02446	43.0
126.02752	1.2
137.02426	4.4
139.04008	1.1
155.03523	2.4
169.01419	100.0
170.01718	2.9
173.04532	24.1
177.01878	1.9
191.05609	25.7
195.13870	2.8
225.62021	0.9
261.40616	0.9
271.56436	0.8
309.11844	3.5
310.12027	1.1
311.07550	1.1
315.07401	1.2
343.06677	84.9
344.06961	5.7
345.38184	1.0
430.27042	0.9
433.13071	1.1
436.22949	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.0
57.45645	1.2
59.01379	16.3
63.46384	1.4
68.78266	1.4
69.20383	5.1
69.20809	9.4
71.01376	12.5
72.99289	4.2
73.02917	3.8
75.00871	6.6
76.44034	1.4
83.01389	1.6
85.02936	10.2
87.00834	4.1
87.51083	1.4
89.02415	5.6
91.87299	1.5
95.01376	2.6
97.02909	2.8
99.00866	3.3
101.02451	2.9
107.01334	5.6
108.02178	56.5
109.03013	10.4
111.00779	1.3
113.02441	10.2
117.01884	1.6
119.04964	1.4
121.02978	9.1
122.06079	2.1
123.00909	7.3
123.04485	1.4
125.01656	2.2
125.02451	28.3
132.04544	2.6
134.03741	2.0
139.00427	2.6
149.02452	21.5
150.03163	5.9
150.05556	3.2
151.00291	2.8
151.03993	2.0
152.01158	100.0
153.01781	4.5
154.57259	1.4
160.03917	2.6
161.04634	1.8
163.03970	5.0
164.04793	12.4
165.01820	4.7
165.05470	1.5
167.03386	3.3
168.00647	2.3
169.00014	1.8
169.01428	36.0
170.01741	1.5
176.03520	1.6
177.01744	1.5
177.04013	3.7
184.07686	2.2
190.02599	3.0
190.05078	1.8
191.03406	4.2
209.04549	12.5
211.02434	3.6
223.06226	6.7
225.14992	1.7
226.07359	1.9
227.08147	4.4
229.09726	4.4
239.08086	3.0
239.11792	4.3
240.10252	1.5
241.09827	7.7
249.06157	1.8
252.05286	2.1
253.06107	3.3
253.09715	4.1
254.03148	5.9
255.07802	3.4
255.11299	3.9
257.12927	2.1
266.06754	2.6
267.07578	12.5
271.04575	2.7
281.09259	9.2
283.10880	36.5
284.10983	2.9
309.05417	2.0
309.08795	22.3
317.03345	1.5
327.09729	6.3
341.11282	1.8
392.46173	1.3
429.10440	15.0
447.11429	34.4
448.11676	2.9
489.19058	1.8
497.16599	2.8
501.19891	7.9
533.18262	7.0
559.15399	2.0
577.08093	2.0
577.16705	33.7
578.16559	2.8
609.18823	2.9
621.15723	51.3
622.16272	8.9
653.17493	90.2
653.30939	2.9
654.17841	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	653.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
59.01378	12.1
62.76051	1.1
63.88472	1.0
69.23978	1.5
69.24380	9.5
71.01379	10.2
72.99325	3.2
73.02946	3.9
75.00870	5.4
83.01377	4.8
85.02935	8.2
87.00880	4.7
89.02437	2.3
95.01398	2.5
96.96006	1.7
99.00877	5.2
101.02431	1.1
113.02460	9.4
122.06129	4.3
124.07718	1.3
125.02471	5.6
127.00372	6.2
132.04543	4.6
139.00331	1.2
150.05589	1.1
157.01369	1.3
160.04015	2.1
165.04149	1.6
169.01375	6.4
176.03470	1.0
186.09251	2.1
187.08701	1.9
189.00398	11.3
190.05099	2.9
197.04761	1.3
198.09164	1.2
210.09250	1.5
211.02580	1.1
211.05109	2.0
211.08711	1.8
212.05742	2.2
212.10820	1.5
213.06731	1.8
215.11870	2.3
224.07275	1.3
224.09509	2.0
225.06706	1.4
226.07426	2.8
227.08197	8.1
229.09763	5.9
237.10345	1.1
239.04515	1.4
239.08246	4.5
239.11913	3.6
240.10429	2.2
241.09853	12.7
241.46992	1.0
249.06262	3.2
250.07454	2.0
252.05408	1.5
253.06125	3.6
253.09885	7.8
254.03230	6.5
255.07726	4.4
255.11401	3.2
257.12921	4.2
265.09833	4.3
266.06979	3.2
267.07574	15.4
268.08307	2.9
271.04770	1.3
281.09357	11.3
283.10876	43.4
284.11200	3.2
287.02039	1.6
301.11932	3.1
309.08865	23.7
310.09152	1.7
316.02194	5.3
327.09839	7.5
353.07684	1.8
413.36026	1.1
456.82181	1.1
463.08771	2.5
489.18686	2.2
501.19556	3.5
505.19452	1.9
533.17737	8.5
559.15302	3.0
577.16760	33.3
578.16638	5.2
603.14673	1.6
609.19373	2.8
609.31055	2.5
610.19775	1.5
621.15717	100.0
622.15857	12.6
653.19904	12.9
653.30371	3.7
654.20386	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	653.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11309	1.5
54.47980	1.5
55.18169	1.4
55.66647	1.9
57.03457	1.8
59.01377	12.6
61.41713	1.4
61.76564	1.4
61.98813	1.9
69.36357	13.9
71.01376	15.1
72.99290	4.1
73.02920	4.4
75.00861	4.0
85.02970	7.7
87.00854	2.7
89.02436	3.3
89.41711	1.4
91.70769	2.0
93.03411	1.8
95.01344	5.1
96.95996	3.7
97.02905	1.8
99.00867	5.7
101.02417	2.9
107.01338	6.4
108.02178	61.9
109.02975	13.4
111.00838	2.1
113.02444	10.3
116.92812	1.8
121.02913	9.2
122.06087	3.3
123.00835	5.1
124.07631	1.8
125.02438	32.4
132.04472	3.9
135.04518	1.8
139.00267	2.8
140.01021	1.8
148.07849	1.3
149.02448	23.6
150.03172	4.1
151.00285	3.9
152.01152	100.0
153.01671	6.4
163.03902	5.9
164.04797	14.8
165.01822	4.6
165.05428	1.6
167.03441	2.3
168.00525	3.1
169.01433	49.7
175.02325	1.7
177.01752	2.8
177.03992	4.2
190.02708	2.0
191.03412	5.3
194.02110	3.8
209.04512	10.1
211.02402	2.8
212.10710	1.5
215.11948	1.6
218.70747	1.4
223.06175	7.0
224.09274	1.6
226.07257	1.7
227.08099	4.2
229.09741	4.2
239.08089	3.5
239.11850	2.8
240.10222	1.8
241.09796	7.8
249.05930	1.7
253.06157	2.5
253.09612	3.6
254.03137	4.9
255.07607	3.2
255.11229	1.7
257.12869	2.5
261.88608	1.6
266.06671	1.9
267.07489	11.4
271.04453	2.7
281.09207	7.6
283.08047	1.8
283.10898	31.3
306.07019	1.8
309.08759	17.2
327.09604	4.5
329.15982	2.0
401.13373	1.9
429.10358	16.2
447.11426	38.4
448.11441	4.1
481.05853	2.2
497.16336	6.1
501.19980	10.0
522.15057	2.2
533.17346	5.0
577.16699	33.5
578.16791	3.4
609.18500	2.6
621.15717	58.2
622.15546	6.6
653.17725	98.4
654.18073	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	652.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95190	0.4
61.98832	100.0
69.52583	2.3
78.95912	6.7
81.03463	2.9
83.01391	1.6
95.05012	0.5
95.10114	0.4
97.02958	0.4
107.44163	0.4
122.37574	0.4
123.04530	24.2
124.04864	0.8
125.02445	3.3
139.03967	0.5
149.02490	0.6
151.00374	1.1
151.04021	0.6
163.03976	0.6
166.02750	0.5
167.03499	70.0
168.03844	1.7
169.14583	0.4
175.00305	0.6
180.04208	0.6
181.05057	1.8
191.03497	17.0
192.03885	0.5
209.04546	6.0
221.04539	2.1
236.46700	0.4
252.10434	0.5
276.51944	0.4
301.94485	0.5
436.01981	0.5
440.47223	0.4
537.14124	0.4
571.29388	0.5
589.30194	20.0
590.30511	2.6
653.30133	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	651.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82871	3.8
61.98824	5.3
71.48628	3.5
75.44267	3.4
78.46975	3.4
78.95907	100.0
80.98407	3.1
85.45272	3.3
96.96987	9.2
106.30697	3.3
130.29863	3.5
152.99591	52.0
209.11816	23.9
223.13330	9.0
227.12888	4.6
255.23322	77.3
256.23627	4.6
277.21585	9.8
363.12018	7.3
391.22787	18.2
395.14813	4.7
409.23526	9.0
500.84598	3.9
619.36053	40.9
620.35638	4.8
651.39392	17.1
652.37683	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	651.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.3
58.00581	2.1
59.01382	32.1
61.98804	2.0
69.03460	2.3
71.01381	32.2
71.54065	0.8
72.99328	1.9
73.02954	4.9
81.03458	1.4
83.01398	2.7
85.02957	6.8
87.00872	8.2
89.02444	31.8
90.33636	0.8
95.01376	3.3
97.02959	6.0
99.00880	2.0
101.02437	26.8
109.02931	1.0
111.04485	1.1
113.02456	12.7
119.03510	9.8
121.02874	0.9
125.02444	12.6
127.03949	0.9
133.05046	1.3
135.16112	0.8
139.04062	0.9
143.03499	4.9
149.04498	1.6
161.04520	7.8
179.05644	7.4
179.16101	0.9
209.11830	1.0
221.06676	2.2
235.08199	14.8
253.09311	4.3
253.21710	100.0
254.22055	6.8
263.07980	1.1
277.09311	1.3
287.07669	2.9
305.08823	2.7
323.09662	2.1
397.13483	73.4
398.13718	6.5
402.57736	0.9
415.14557	29.8
416.15152	1.9
464.16696	1.1
499.36905	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51222	1.0
57.03447	8.2
59.01384	4.7
61.53921	0.9
61.98824	1.2
67.01897	1.3
69.03448	1.6
69.96930	1.1
71.01383	2.8
71.55491	1.6
72.99302	1.1
73.02938	1.6
74.02471	1.6
83.01392	5.2
84.25565	1.0
85.02939	1.9
95.01379	2.3
95.05000	1.4
96.96002	11.9
97.02961	1.8
99.00862	1.2
105.03455	2.7
107.01398	1.1
107.04992	1.4
108.02152	2.7
109.02952	8.0
111.04533	2.1
113.02439	2.1
114.25623	1.0
119.05025	3.3
121.02934	1.6
123.00905	5.3
123.04502	3.3
124.01646	2.2
125.02445	100.0
126.02782	3.0
133.02911	2.5
134.03755	11.0
135.04478	2.5
137.02440	21.3
138.03242	1.4
139.04001	6.8
145.06607	1.5
147.04573	1.3
148.05269	2.6
149.02425	1.5
149.06097	6.9
150.82108	1.0
151.04025	7.1
159.04518	3.8
161.02452	22.3
161.06097	1.1
162.03233	1.4
163.03993	4.6
163.07674	2.7
164.01155	3.0
165.01947	10.2
166.34230	1.2
167.03502	11.6
168.00566	1.1
168.99976	1.9
169.01421	31.8
170.01804	1.6
173.06082	9.3
174.06837	1.2
175.04015	8.1
175.07672	1.1
176.04750	1.5
177.01920	3.9
177.05574	16.0
178.02689	1.4
179.03500	6.6
189.01884	1.6
189.05571	4.2
191.03549	1.8
191.07164	6.0
193.01424	3.8
193.05042	3.9
201.05583	4.5
203.03514	8.8
204.04192	1.1
205.01436	2.1
205.05133	1.7
211.02432	2.3
215.07092	2.5
216.04387	1.1
216.07811	3.2
217.01355	2.9
217.05031	2.8
218.05801	1.5
219.06635	7.4
221.04536	6.6
225.05424	1.3
227.03488	7.1
229.01331	3.4
231.10252	3.4
233.08159	12.5
243.06744	2.3
245.04622	5.5
245.09331	2.7
259.06100	2.8
260.06824	1.1
261.07764	2.4
263.05588	1.8
269.04544	2.9
275.09238	2.8
287.05667	4.8
295.06070	3.9
301.07144	1.7
305.06647	35.9
306.06955	3.4
319.08188	27.1
319.12000	1.3
331.08215	13.3
338.11035	1.0
341.06586	2.4
357.06070	3.5
399.69754	1.0
419.11002	2.0
437.12253	3.9
439.10577	2.4
463.10132	8.6
464.10565	1.9
481.11420	26.5
482.11600	4.3
499.12402	71.8
500.12744	8.0
619.12854	1.2
651.14221	9.1
651.25494	1.1
652.15448	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	649.23
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62223	0.5
59.01387	2.8
59.95034	0.5
61.98827	3.2
63.12405	0.6
67.01885	0.9
69.03465	1.1
70.62883	1.6
81.03473	0.7
83.01399	1.3
85.02952	0.6
88.98816	0.6
89.02442	0.8
95.01388	1.0
97.02948	1.1
97.83295	0.6
105.03474	1.0
107.01379	1.4
109.02921	1.2
113.02443	0.9
123.00886	2.2
124.01671	6.8
125.02450	55.8
126.02773	1.8
137.02472	2.6
138.03236	1.9
139.00374	0.5
139.04053	1.3
140.01108	0.5
151.00357	0.8
151.04019	0.6
161.02461	4.7
164.01103	0.6
164.04898	0.6
165.01920	2.3
166.99825	0.7
167.03485	1.0
168.00726	0.7
169.01425	100.0
170.01796	4.4
171.10260	0.8
175.04068	0.7
177.01904	1.1
177.81567	0.5
193.01427	2.4
209.11870	1.3
219.06610	0.7
221.04440	0.6
249.18565	0.7
313.05789	0.8
317.17572	8.5
329.17719	1.3
386.55002	0.6
451.17426	0.6
461.19974	1.3
479.20856	2.2
497.21753	10.6
498.22287	1.4
523.19580	1.6
628.20673	0.6
649.20526	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	649.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
58.17987	0.2
59.01368	0.8
61.98822	0.3
64.36649	0.2
67.01879	0.4
69.03454	1.7
71.01385	0.5
72.62285	0.2
73.02959	0.3
75.00853	0.3
79.01900	0.5
81.03463	1.0
83.01392	0.4
83.05048	0.3
85.02945	0.4
87.05855	0.2
93.03436	0.2
95.01405	0.7
95.05033	0.5
96.96011	0.6
97.02957	1.8
97.06570	0.5
105.03465	0.7
107.01382	0.7
109.02955	1.2
112.36440	0.2
113.02476	0.5
121.02923	0.3
123.00906	1.4
124.01662	5.8
125.02446	58.8
126.02762	1.4
136.01704	0.3
137.02435	1.5
138.03235	1.5
139.04024	1.2
145.02956	0.2
146.05765	0.2
149.02428	0.7
151.04016	0.6
160.01599	0.3
161.02440	4.6
163.04004	0.4
164.01207	0.3
164.04852	0.6
165.01939	2.0
166.99800	0.6
167.03485	1.1
169.01421	100.0
170.01762	2.8
170.65952	0.2
175.03954	0.5
177.01961	0.6
177.05606	0.9
178.02715	0.3
179.03456	0.4
193.01436	2.5
201.05469	0.2
203.03503	0.5
204.04160	0.2
219.06660	0.9
221.04593	0.5
224.04758	0.3
227.03442	0.3
242.05843	0.3
245.04584	0.2
247.02391	0.3
249.18509	0.5
273.35233	0.2
286.04721	0.3
315.01645	0.3
317.17557	9.2
318.18011	0.8
319.04633	0.4
329.17493	1.2
355.91644	0.2
357.17050	0.6
371.18484	0.2
461.19531	1.2
479.20853	2.3
497.21817	10.2
498.22208	1.1
523.19684	1.3
649.21790	2.9
649.29834	0.4
650.22717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.3
59.01378	1.1
67.01897	0.6
69.03454	1.7
71.57778	0.3
77.39679	0.2
79.01900	0.5
81.03469	0.9
83.01388	0.5
87.95206	0.3
89.02456	0.3
95.01392	0.8
95.05043	0.6
96.96019	0.3
97.02953	1.7
97.06595	0.6
98.19860	0.6
99.00876	0.2
105.03439	0.6
107.01382	0.9
109.02944	1.2
111.00925	0.2
121.02965	0.3
122.03733	0.3
123.00865	1.2
124.01657	5.8
125.02443	55.8
126.02783	1.6
132.93925	0.3
136.01611	0.3
137.02464	1.3
138.03259	1.2
139.04013	1.4
149.02332	0.5
151.04048	0.8
161.02449	5.0
163.04028	0.5
164.01149	0.4
164.04747	0.5
165.01904	2.5
166.99759	0.5
167.03539	1.2
168.00735	0.3
169.01414	100.0
170.01738	3.4
177.01932	0.5
177.05571	0.5
178.02763	0.3
179.03397	0.4
193.01376	2.4
203.03517	0.3
204.04221	0.3
205.01227	0.3
219.06607	0.9
221.04518	1.0
227.03453	0.3
229.60440	0.3
245.04533	0.3
249.18541	0.6
286.04660	0.4
317.17569	9.7
318.17978	0.7
319.04633	0.5
329.17572	1.5
357.17056	1.0
453.22617	0.4
461.19684	1.1
479.20734	2.2
497.21771	10.0
498.21954	1.1
523.19934	1.6
649.21863	2.6
650.22675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40118	1.1
57.03444	9.9
59.01386	3.8
62.80155	1.2
69.54472	6.9
71.01402	1.4
73.02944	1.1
83.05021	4.2
85.02937	7.6
85.06612	2.4
93.62675	1.1
96.96000	2.4
98.20676	2.5
99.04523	1.2
99.08143	2.1
110.69955	1.2
111.04513	1.4
123.08134	1.4
125.02450	9.6
135.08081	1.1
137.09758	2.2
139.11293	1.2
145.97174	1.3
149.09695	2.3
151.11301	2.8
155.10756	2.7
163.11272	2.8
165.12831	1.6
167.03401	1.6
169.01431	7.3
169.12347	8.7
170.01787	2.5
191.05579	4.5
193.12341	1.9
195.13899	100.0
196.14229	6.6
213.15005	5.0
235.56628	1.3
237.14809	1.2
255.16022	12.1
257.14041	1.5
299.15057	10.0
305.06729	3.2
327.75296	1.2
343.06641	1.8
457.13718	1.2
495.08136	1.5
496.08566	1.5
497.08649	6.2
629.28693	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	649.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66917	0.4
55.01882	0.9
57.03436	0.9
59.01378	5.2
61.98805	0.5
63.58874	0.5
65.00323	0.5
67.01900	1.6
68.99847	0.5
69.03449	2.3
69.29383	1.8
69.29811	1.9
71.01381	7.2
71.71253	0.4
72.99323	1.5
73.02955	1.3
73.69759	0.4
75.00871	6.3
79.01910	1.0
81.03456	0.7
83.01408	1.3
85.02934	4.7
87.00890	2.1
89.02444	2.2
95.01389	3.4
96.96014	1.2
97.02959	3.3
98.19996	1.0
99.00882	1.9
101.02434	3.3
107.01395	10.5
110.00096	0.5
111.00903	4.0
113.02431	3.8
121.10184	0.5
123.00889	11.6
124.01658	2.8
125.02446	61.9
126.02802	1.6
127.00382	1.0
129.01941	1.5
136.98825	1.5
137.02487	1.1
138.03210	0.5
139.00356	5.4
139.03894	0.4
139.11243	0.4
140.01161	6.7
141.01933	1.6
149.02510	0.6
151.00365	5.6
153.01955	1.0
159.03012	2.0
161.02434	0.9
165.01962	1.3
166.02708	0.4
166.99866	2.1
167.03529	0.8
168.00641	10.2
169.01419	83.6
170.01718	2.5
177.04042	11.7
179.03471	0.5
181.01433	0.8
183.02869	0.8
190.99794	0.7
193.01427	0.8
203.75838	0.5
209.00972	2.1
211.02455	6.6
223.02553	0.7
241.03738	0.6
267.07239	1.2
271.04587	1.8
297.06088	1.5
311.04120	4.5
312.04596	0.8
313.05615	4.4
315.01532	1.1
329.05087	6.6
345.15570	1.7
357.05783	0.5
380.10123	0.5
453.17709	1.0
465.06857	1.3
479.15381	1.8
481.06174	11.0
482.06378	0.6
497.16705	16.6
498.17053	2.1
515.64111	0.6
517.19275	3.3
605.20660	1.4
649.17657	100.0
650.17981	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.7
60.50954	1.6
61.98813	2.2
67.01866	1.7
69.03444	2.9
69.29508	13.6
71.01379	13.2
72.99287	2.3
73.02921	1.8
75.00861	5.8
85.02958	9.8
87.00853	3.1
89.02422	4.7
93.03442	2.2
95.01366	6.4
95.65287	1.6
96.96011	8.4
97.96895	1.5
99.00866	2.5
99.18839	1.4
101.02409	5.4
101.36306	1.5
107.01389	10.4
109.02931	2.7
111.00883	4.9
113.02444	7.4
119.03454	1.6
123.00880	12.6
124.01648	4.5
125.02446	77.4
127.00327	2.6
137.02420	1.8
139.00343	7.0
140.01122	5.4
151.00345	7.0
152.05814	1.7
159.02954	1.9
166.99828	2.3
167.03419	1.8
168.00662	11.3
169.01425	100.0
170.01756	4.1
177.01888	2.8
177.04034	10.8
189.02042	1.9
193.01324	1.7
211.02446	6.4
271.04520	2.1
281.08755	3.2
311.03961	3.8
313.05585	3.6
329.05032	7.0
345.15393	2.1
453.17661	2.1
479.15564	5.0
481.06470	9.3
497.16547	20.9
531.20581	6.3
602.64941	1.7
615.60748	1.6
649.17548	96.4
650.17804	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	649.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	1.0
59.01363	2.2
69.03444	1.6
70.29131	2.3
71.01385	4.4
71.65776	0.9
75.00867	2.0
81.03452	1.5
85.02936	2.9
95.01357	2.4
97.02938	2.3
99.00797	1.1
101.02393	1.7
107.01383	9.3
110.00112	0.8
111.00869	1.6
113.02420	1.3
114.20627	0.7
121.10188	0.9
123.00892	7.6
124.01628	1.5
125.02444	68.5
126.02745	2.6
127.00333	0.9
129.01921	1.8
136.98772	1.8
137.02396	1.2
139.00372	2.9
140.01170	1.9
141.01913	0.9
151.00349	3.2
159.15515	0.8
164.77371	0.9
166.99751	0.9
168.00647	5.9
169.01416	96.2
170.01718	2.8
177.04062	6.3
211.02440	2.9
237.04199	0.9
262.95865	0.8
307.39249	1.0
311.04166	1.4
313.05701	1.1
329.05072	5.6
345.15469	1.2
453.17462	1.1
481.06213	5.9
497.16632	13.7
498.16629	1.1
570.74872	0.9
584.72498	0.9
649.17700	100.0
650.18030	15.7
663.98071	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29699	0.8
56.48166	0.7
57.03424	0.8
58.02540	0.8
59.01363	2.0
62.08948	0.7
62.28382	0.7
67.01891	0.9
69.03463	1.7
70.30985	1.0
70.31342	2.6
71.01399	3.8
72.99308	1.0
73.02965	0.8
75.00867	1.9
77.84413	0.8
79.01897	1.4
80.73534	0.7
81.03444	1.2
85.02923	2.5
94.00101	0.7
95.01399	1.7
97.02946	3.2
99.00848	0.9
101.02461	2.0
107.01390	10.8
111.00894	1.6
113.02457	1.7
113.94294	0.8
123.00902	7.1
124.01640	2.4
125.02448	72.9
126.02792	1.6
127.09479	1.0
129.01932	1.1
136.98793	1.2
139.00336	3.5
140.01146	2.7
151.00323	3.3
166.99834	0.8
168.00656	4.8
169.01424	93.0
170.01743	3.3
177.04019	5.6
197.42104	1.1
211.02425	1.8
237.03854	0.7
267.88266	0.8
271.04636	0.9
311.03860	0.9
313.05603	1.2
329.05011	5.7
345.15591	1.0
453.18054	1.6
481.06097	6.8
497.16626	13.4
498.16574	1.3
623.23889	0.9
649.17700	100.0
650.18042	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	647.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44276	1.3
51.44521	1.4
52.53830	1.3
55.02119	1.2
57.03440	7.4
59.01374	8.4
67.01873	1.6
69.66463	6.8
69.66893	3.0
71.01373	4.0
73.02913	1.7
76.46408	1.4
83.40541	1.3
85.02946	5.2
85.25762	1.3
87.00870	1.9
93.03466	7.2
107.01392	7.1
107.20493	1.6
109.02916	1.6
109.06570	4.0
111.00917	2.1
111.04548	6.3
119.05031	2.4
123.00851	2.1
125.02454	43.7
135.08157	4.8
137.02437	4.9
137.09714	4.1
139.07672	1.3
140.01259	1.6
151.00352	2.8
153.09187	1.8
155.03494	7.5
155.10757	3.0
158.71442	1.2
163.04030	1.7
163.11363	1.8
165.05583	1.5
167.03653	1.6
167.10762	2.5
169.01434	100.0
170.01752	4.2
173.04546	18.0
177.09128	5.7
179.03403	1.4
191.05614	47.0
192.05994	1.6
193.12335	23.7
211.13385	9.2
232.62479	1.3
235.13368	7.0
253.14357	3.9
255.17329	1.6
257.13867	6.2
297.13351	3.3
305.06464	2.0
313.05576	2.9
325.05569	10.0
334.18347	1.5
343.06671	36.3
344.06857	1.9
389.10983	2.0
485.08313	1.9
495.07712	82.0
496.07983	11.0
647.15509	15.4
648.15814	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	647.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18454	0.6
57.03418	0.8
59.01376	3.6
66.37285	0.6
67.01876	1.4
67.27482	0.5
69.03444	1.8
69.51973	3.6
69.52377	1.0
69.53876	0.7
71.01379	3.8
73.02903	0.7
75.00847	1.0
81.03434	1.0
83.01390	1.1
85.02955	2.4
87.00876	1.8
88.98790	0.9
89.00069	0.6
89.02396	0.9
95.01391	1.8
96.95992	2.9
97.02950	1.6
99.00878	1.1
101.02425	2.7
107.01376	9.0
109.02927	0.8
111.00863	2.5
113.02432	2.9
121.02957	1.1
122.03725	2.6
123.00879	9.1
124.01646	2.3
125.02443	68.1
126.02771	1.4
135.04543	1.4
136.98796	0.8
137.02405	1.7
139.00343	3.9
140.01147	2.9
141.02071	0.6
143.03523	0.7
149.04562	0.9
151.00369	6.2
154.99864	1.0
157.55061	0.7
161.02463	0.9
166.99893	1.2
168.00583	5.6
169.01418	81.3
170.01736	2.1
174.01704	2.1
175.03856	0.7
181.08698	33.1
182.09010	0.8
191.03439	0.9
191.05649	0.8
193.01369	1.1
193.05058	1.3
211.02440	0.9
215.03448	0.9
237.03963	1.7
253.03508	1.6
253.05836	0.7
295.04556	2.5
313.05658	15.0
314.06088	1.3
405.04129	0.7
446.52890	0.7
465.06430	2.1
477.13718	1.9
495.08112	1.3
495.14954	11.7
647.16083	100.0
648.16394	15.8
648.26746	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17951	0.7
57.03445	1.2
59.01374	5.9
61.98825	9.8
65.00314	1.0
67.01895	1.5
69.03448	3.3
69.18410	3.8
69.18846	4.8
71.01379	5.1
73.02932	1.5
81.03457	2.2
83.01398	1.7
85.02959	2.5
88.98811	1.1
89.02403	1.9
93.03436	1.1
95.01382	3.7
95.05036	1.0
96.96011	4.1
97.02935	2.4
101.02448	2.2
107.01380	3.9
108.02195	2.3
109.02962	14.4
111.00893	1.6
113.02458	3.1
113.46098	0.8
119.03529	0.9
119.05015	0.9
121.02945	1.5
123.00883	12.6
123.04533	11.7
124.01667	2.8
125.02447	67.4
126.02705	1.0
127.11304	1.5
130.08752	1.3
133.02963	4.6
135.04509	1.7
137.02426	4.4
138.03207	8.6
139.00400	1.1
139.03989	1.2
140.01187	1.2
145.02979	7.8
147.04494	2.2
149.02417	3.3
151.00311	1.9
151.03987	7.0
153.05594	3.9
159.04466	1.9
161.02443	2.8
163.03964	1.0
165.01932	4.2
166.99878	4.5
167.03490	1.8
168.00616	2.8
169.01422	100.0
170.01811	2.8
171.10205	1.7
176.01118	2.2
177.01932	40.4
178.02263	0.8
179.03494	1.2
180.04295	1.5
181.05022	1.8
187.04018	2.8
188.04703	1.3
189.01929	37.1
190.02692	9.0
191.02007	1.0
191.03491	6.2
191.05489	1.9
193.01385	6.7
195.06714	4.9
196.07315	1.3
201.01869	1.7
201.09528	1.8
201.11330	25.5
203.03476	4.7
205.05055	2.8
209.11813	19.3
211.02585	1.3
211.09619	1.3
213.05602	1.1
216.00681	5.9
217.01405	28.0
218.01982	1.8
219.02963	11.7
225.07671	2.0
227.12843	2.6
229.05046	1.0
229.08337	0.9
231.02960	10.1
243.02945	1.5
253.05325	1.3
253.09235	4.6
269.04318	1.2
271.06076	3.2
275.05551	1.4
281.04565	2.7
285.04190	1.1
289.07117	4.6
297.07739	1.0
303.05042	1.9
319.12997	1.4
322.04791	2.2
323.05588	13.1
324.05893	1.7
331.08292	10.2
337.07089	4.8
341.06650	59.0
342.06955	3.4
343.08176	4.9
355.08310	7.0
359.24472	1.0
371.07764	6.2
386.63016	0.9
435.16003	1.1
477.11725	9.3
495.12988	84.8
496.13141	11.5
497.10837	1.1
529.25006	1.0
537.10071	2.6
599.25861	1.5
615.24310	1.4
647.12500	4.1
647.28662	2.0
648.32104	1.1
662.79865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.3
59.01377	5.6
60.74667	0.6
61.98828	6.5
67.01882	0.8
67.54196	0.6
68.77231	0.6
69.03465	2.3
69.18161	2.3
69.18581	5.3
71.01395	2.8
72.99309	1.4
73.02943	1.5
75.00884	0.8
79.01907	0.9
81.03451	1.7
83.01395	1.7
85.02943	2.4
89.02450	1.1
93.03446	0.7
95.01402	3.9
95.05042	1.3
96.96021	1.9
97.02959	2.3
99.00871	0.8
101.02457	1.1
107.01411	2.3
108.93465	0.6
109.02956	14.5
111.00878	1.0
113.02448	1.5
119.05064	0.7
121.02971	1.3
123.00894	10.6
123.04530	11.2
124.01642	3.0
124.04839	0.8
125.02452	68.7
126.02811	2.1
130.08833	0.7
133.02942	5.0
135.04520	1.3
137.02454	3.2
138.03255	9.6
139.00443	0.9
139.03983	1.9
140.01221	0.8
145.02956	8.8
147.04558	2.9
149.02495	3.5
149.04028	0.6
150.03163	1.1
151.00360	2.0
151.04018	5.7
153.01926	1.1
153.05598	4.4
159.04524	2.4
161.02455	3.0
162.03108	0.9
163.00322	0.9
163.03970	1.1
165.01915	1.8
166.99866	5.0
167.03517	1.8
168.00674	0.9
169.01428	100.0
170.01807	3.8
175.04027	1.5
176.01163	1.8
176.04674	0.9
177.01929	43.9
178.02275	2.2
181.05055	1.6
187.03999	2.8
188.04729	0.8
189.01935	37.1
190.02708	13.0
191.03487	9.7
191.05215	1.2
193.01422	5.5
195.06577	1.3
201.01964	2.7
201.11327	2.9
203.03459	4.3
205.05005	3.1
209.11847	1.4
216.00594	5.8
217.01402	35.9
218.02022	3.8
219.03001	13.6
220.03421	1.1
231.03009	10.4
231.06577	1.5
232.06967	1.3
245.04723	0.9
246.26982	0.7
253.05188	1.0
256.03793	0.8
259.06076	0.7
271.06073	2.6
274.08148	0.8
275.05692	1.7
281.04565	2.0
285.04068	1.2
289.07211	3.7
297.04446	0.8
297.07709	2.2
301.03622	1.5
301.06998	1.0
303.13297	0.8
305.06757	1.5
306.06955	0.7
317.06714	1.8
318.06973	1.7
319.07257	1.3
319.12772	3.6
321.04114	0.9
322.04816	2.3
323.05573	18.6
324.05969	1.3
331.08206	7.3
337.07266	8.2
341.06631	54.5
342.06998	5.0
343.08456	3.7
355.08163	5.2
359.24615	1.2
371.07709	7.5
477.11884	13.3
478.12289	1.1
484.36172	1.4
493.11832	1.4
495.12967	99.4
496.13336	12.6
497.10468	1.0
529.24304	1.0
537.10352	3.5
571.25653	2.8
615.24652	2.4
647.12335	6.3
647.28064	2.5
648.14233	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35528	0.8
58.39545	0.7
59.01367	2.3
61.98807	0.8
63.52719	0.8
69.03439	1.3
69.20533	4.3
69.20958	4.1
71.01370	2.0
72.90788	1.1
73.02942	1.0
75.00886	0.7
79.01917	0.9
81.03458	1.5
83.01386	1.4
85.02961	2.6
87.00869	1.7
88.98794	5.1
93.03475	1.7
94.85718	0.9
95.01403	2.2
96.95988	1.3
97.02965	1.6
100.72952	0.8
101.02458	1.6
107.01387	8.1
111.00869	2.6
113.02463	2.3
113.93726	0.9
119.05019	16.8
121.02953	14.3
123.00898	8.8
124.01643	2.7
125.02446	82.6
126.02786	2.3
127.00346	3.4
136.98790	1.9
137.02390	1.9
139.00406	5.1
140.01131	3.1
141.01935	0.9
151.00356	7.9
151.80997	0.9
153.01880	1.8
160.98755	0.8
161.02548	1.1
163.03987	3.1
165.01888	1.1
166.99841	1.7
168.00629	5.1
169.01421	96.4
170.01727	3.3
179.03503	1.3
181.01405	1.2
189.00430	3.2
191.05598	2.3
193.01407	1.5
211.02412	1.0
253.03534	1.3
295.04547	2.2
310.97906	0.9
313.02219	1.6
313.05655	24.4
314.05969	1.9
343.06671	2.2
379.86880	0.9
417.08231	1.0
433.11414	3.1
435.09283	4.5
459.09497	1.2
465.06754	1.5
477.10522	4.3
495.12384	10.1
496.10867	0.9
502.51077	1.1
557.22357	6.2
585.12445	1.1
587.10199	7.4
588.10785	1.1
629.11707	7.8
647.12482	100.0
648.12842	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	647.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58932	0.9
57.01349	0.9
57.03443	1.2
59.01371	9.4
61.98824	1.1
69.03438	2.2
69.51744	3.6
69.52148	2.5
71.01385	4.7
72.99265	1.1
75.00863	2.9
79.01867	1.5
81.03424	1.8
83.01399	1.6
85.02943	4.3
87.00892	2.0
89.02428	1.3
93.03412	1.2
95.01373	2.2
96.95999	13.4
97.02935	2.0
99.00887	2.2
101.02431	2.6
107.00850	0.8
107.01402	9.5
107.05020	1.3
109.02937	3.3
109.06541	1.8
111.00877	2.7
113.02432	3.5
119.05015	2.2
120.43495	0.8
121.02929	3.9
123.00897	8.6
123.04501	1.3
124.01611	2.9
125.02445	74.7
126.02802	1.4
135.04507	4.8
137.02455	1.6
137.06079	11.7
139.00323	3.3
140.01106	3.2
151.00360	6.0
152.01050	1.4
163.03932	1.0
165.01932	1.2
167.03384	1.5
168.00630	6.5
169.01422	89.3
170.01738	3.1
171.10199	1.1
177.01926	2.0
179.03545	1.1
181.05063	33.3
186.78162	1.0
191.05630	1.7
193.01480	1.2
211.02475	2.4
217.12219	1.1
223.06042	1.6
228.28860	0.9
237.04105	1.4
259.46899	1.0
272.02859	1.5
287.02045	1.1
295.04453	1.6
313.05661	16.8
315.01248	1.1
316.02231	3.8
317.02606	2.3
333.05289	2.0
343.06741	1.0
343.10638	1.2
427.14307	1.0
433.92322	0.9
465.06619	2.4
491.17139	1.5
495.11676	17.8
496.11566	1.5
567.26007	1.4
609.14423	1.6
647.12463	100.0
647.21808	4.8
648.12695	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	647.089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
65.89964	0.8
69.03463	1.4
70.97063	1.9
71.01378	1.2
74.48222	0.8
81.83332	0.7
83.05002	1.1
85.02950	2.1
87.00875	2.2
92.84335	0.7
93.03470	8.0
95.01393	1.0
96.56432	0.8
98.19814	0.8
107.01384	7.2
109.02921	1.0
111.00869	1.1
111.04509	5.3
119.04980	1.2
121.02993	0.8
123.00850	1.9
125.02444	47.6
137.02449	6.1
139.00345	1.6
141.36943	0.7
151.00307	1.0
155.03514	8.3
167.03578	1.2
168.00656	1.2
169.01416	100.0
170.01750	2.9
173.04546	20.8
173.06035	1.2
174.04861	1.2
191.05598	23.3
192.06030	1.1
193.01378	1.2
201.05508	1.5
245.04402	1.3
295.71344	0.7
313.05719	1.7
325.05630	10.4
333.02554	1.1
343.06662	17.2
472.12469	0.8
472.20270	0.7
495.07767	99.4
496.08084	10.5
637.80115	0.8
647.12341	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	647.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.7
59.01383	0.7
62.47396	0.6
64.00903	0.6
67.01897	1.1
69.03468	1.6
70.05624	1.8
71.01387	1.5
71.85768	0.6
74.50455	0.6
79.01904	1.0
81.03457	0.8
83.01393	0.7
83.05018	1.1
85.02954	2.1
87.00874	2.3
89.02460	0.6
93.03457	9.1
99.04530	0.7
107.01382	6.5
109.02979	0.8
111.00920	0.9
111.04499	5.0
119.05003	1.2
123.00900	2.4
124.01698	1.0
125.02447	43.7
126.02828	0.6
127.03992	0.9
137.02426	6.1
140.01180	0.6
151.00352	2.1
155.03508	7.2
168.00635	1.5
169.01421	89.8
170.01750	2.5
173.04547	17.7
174.04840	0.8
191.05606	36.8
192.05884	1.3
193.01422	0.6
201.05579	0.9
211.02573	0.8
227.03340	0.7
243.02908	0.6
245.04498	2.0
271.02155	0.9
313.05582	2.3
325.05643	9.8
326.05960	0.7
343.06674	21.7
344.07080	1.3
345.79736	0.6
465.06891	1.4
466.07050	0.8
477.06622	1.1
495.07761	100.0
496.08154	10.6
569.09930	0.7
647.12207	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	647.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.3
59.01372	0.6
68.69645	0.3
70.94650	0.6
71.01382	0.6
73.02958	0.3
78.93060	0.3
85.02950	4.2
87.00879	1.1
88.98796	0.4
93.03453	2.2
96.95996	0.4
107.01389	2.0
109.03021	0.4
111.00912	0.4
111.04518	1.1
118.33578	0.2
123.00887	0.8
125.02448	10.9
126.02672	0.3
127.00394	0.3
127.04015	1.6
137.02460	0.7
139.00414	0.4
145.56830	0.3
147.87381	0.3
151.00368	0.3
152.01190	0.4
155.03481	0.6
168.00603	0.4
169.01421	24.1
170.01768	0.7
171.03023	0.5
173.04568	2.7
174.87184	0.3
187.55870	0.3
191.05605	100.0
192.05954	3.2
243.02879	0.3
264.40039	0.2
291.48730	0.3
293.50125	0.3
300.25095	0.3
313.05661	0.5
325.05756	1.6
343.06674	41.0
344.07104	2.3
427.61456	0.3
495.07739	31.0
496.08173	3.5
557.22076	0.4
647.12079	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	646.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46211	1.7
50.61346	1.4
51.98740	1.8
59.01383	7.7
61.98825	5.0
69.41305	1.9
70.73379	5.3
71.01392	3.7
85.02991	2.8
95.01434	2.3
96.96008	5.2
97.02985	2.3
97.92010	1.6
101.02482	1.9
107.01392	4.9
107.47808	1.9
109.02946	3.5
113.02439	2.4
121.78247	1.6
123.00903	5.8
123.04555	2.2
124.01663	2.6
125.02445	45.5
125.03322	3.5
136.05254	1.8
138.03136	2.0
140.01131	2.0
149.02451	2.1
151.00395	5.5
151.04024	4.5
157.01530	2.1
163.00383	2.9
166.99796	2.4
167.03433	2.2
168.00706	2.7
169.01419	73.7
170.01834	2.3
177.01909	7.9
180.11314	1.7
185.06009	2.7
187.04062	3.8
189.01874	8.1
193.01437	3.3
213.05553	2.9
217.01395	5.4
227.03551	1.8
229.05099	8.8
241.05188	2.6
257.04486	5.9
285.04031	100.0
286.04456	5.0
289.07129	3.5
296.69373	1.9
297.06119	12.3
331.08344	3.1
341.06699	17.9
343.08044	1.6
477.12064	3.3
483.36142	4.1
495.12875	20.8
502.14023	1.8
583.10889	60.2
584.11737	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	645.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28617	0.6
52.40015	0.5
57.03449	13.3
59.01379	2.6
61.98831	5.9
69.42709	0.5
71.01384	1.5
81.03454	1.5
83.01392	3.8
85.02952	0.6
89.02448	0.8
93.03487	0.9
95.01370	1.0
95.05038	2.3
96.96008	2.2
97.02885	0.6
101.02433	0.6
105.03464	6.0
106.06754	0.7
107.01368	0.7
109.02940	1.0
111.04549	0.7
113.02444	0.7
123.00903	0.9
125.02448	100.0
126.02750	2.3
133.02936	2.0
137.02438	5.4
138.03099	0.7
139.04050	1.3
161.02444	43.3
162.02811	1.3
165.01933	0.8
167.03539	0.6
169.01379	3.0
173.06139	0.7
175.03954	0.7
177.01988	0.9
177.05588	3.0
183.04579	0.7
185.11888	1.4
199.09862	1.0
199.13365	1.1
201.05585	1.8
209.11813	2.1
219.06590	1.0
225.05623	1.3
227.03471	1.2
243.06697	1.1
269.04507	4.0
287.05600	8.0
305.06631	2.4
327.25378	5.0
339.25394	1.4
357.26443	77.8
358.26810	7.8
483.35825	0.8
507.29678	1.6
645.32202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39873	0.8
57.03454	5.3
59.01368	3.8
61.98816	4.0
69.03449	1.0
69.51169	2.0
69.51577	4.3
71.01371	3.5
72.99314	1.3
73.02947	1.2
83.01381	1.9
85.02959	2.2
85.96570	0.9
87.00837	1.2
95.01409	2.5
96.95988	3.0
97.02938	1.3
98.20660	1.3
99.00874	1.7
101.02436	2.6
103.99940	0.8
107.01385	8.2
109.02974	1.4
111.00877	2.8
113.02423	4.2
121.02965	10.7
122.83795	0.8
123.00885	8.1
123.91541	0.9
124.01633	2.3
125.02446	57.7
126.02763	1.9
127.00368	1.1
136.98807	1.0
137.02394	3.0
139.00365	5.0
140.01129	3.3
141.01904	0.9
143.03371	1.0
148.07668	0.8
151.00388	7.2
153.01912	1.1
165.01912	3.6
165.05507	0.9
166.99805	1.0
167.03479	1.1
168.00636	6.1
169.01427	76.3
170.01706	2.1
177.05473	1.9
178.99712	1.5
179.03517	1.5
179.07129	16.4
180.04283	2.1
193.05077	0.9
195.06610	2.1
211.02400	1.6
225.07684	1.9
225.51663	1.1
237.03943	1.6
253.03372	1.0
271.02402	3.7
287.01874	1.1
294.81699	0.8
295.04614	2.1
300.02795	6.6
301.03552	2.6
304.04941	0.8
307.04834	1.1
313.05737	11.8
316.02213	1.3
317.02997	1.0
317.77554	0.9
419.16949	2.1
465.06888	3.3
475.12704	1.1
493.13504	13.7
548.67090	0.9
583.10883	8.1
597.23468	2.2
609.18024	1.8
645.14526	100.0
646.14801	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	645.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
59.01372	2.2
67.63897	0.9
71.01376	3.3
71.55866	1.3
73.02924	2.8
85.02950	2.7
87.00827	1.5
89.02450	1.3
95.01393	1.4
96.96008	2.1
97.02941	2.0
101.02436	2.1
106.34045	1.0
107.01399	8.8
108.90607	1.1
111.00864	2.5
113.02435	2.2
116.92838	2.3
119.05019	1.6
123.00883	8.5
124.01676	2.5
125.02448	79.8
126.02766	3.0
130.47906	0.9
136.98749	1.5
137.02464	1.6
139.00351	5.4
140.01146	2.2
143.03589	1.2
151.00404	7.2
151.03935	1.3
163.04019	1.2
165.01865	1.6
166.99861	2.1
168.00629	9.1
169.01422	100.0
170.01730	2.7
179.03355	1.1
181.01357	1.2
193.01376	5.1
211.02495	20.6
216.62341	1.1
241.03407	2.6
253.03525	1.9
260.56589	1.0
271.04590	17.1
287.07675	1.2
299.01987	1.3
312.21967	1.1
313.05637	10.4
316.40839	1.1
331.06613	8.4
355.06842	1.4
373.07770	20.3
389.10880	2.6
423.05536	5.4
433.09952	1.6
439.08707	8.0
465.06967	1.9
483.07770	28.2
484.08112	2.7
493.11993	3.8
525.08929	9.2
526.08594	1.9
567.10077	2.2
585.10840	28.6
586.11224	3.6
645.13062	74.8
646.13293	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	645.1092
Annotation	3-O-(E)-Caffeoyl-1,4-di-O-galloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
50.55678	0.7
51.07692	0.7
52.39052	0.7
52.80301	0.9
57.76990	0.7
58.79089	0.8
59.01365	1.1
65.00343	0.7
67.01899	0.9
69.03442	2.2
71.01363	3.4
71.18804	1.5
73.02938	1.0
79.01886	1.0
81.03450	0.8
85.02934	1.3
93.03430	0.8
95.01359	2.1
97.02939	2.3
101.02425	1.8
107.01387	10.9
109.02943	0.9
111.00861	2.4
113.02413	1.6
122.78506	0.8
123.00866	10.5
123.04515	1.3
124.01630	2.3
125.02447	82.9
126.02756	3.1
134.03729	3.4
135.04523	65.4
136.04800	2.3
136.98788	1.6
137.02391	2.4
139.00346	3.6
140.01108	3.5
141.01910	0.9
149.02385	1.6
151.00377	7.9
153.01874	0.8
161.02397	0.8
166.99854	1.6
167.03441	2.0
168.00655	6.1
169.01421	97.6
170.01735	3.1
173.04546	1.3
177.01831	0.8
178.99881	1.9
179.03499	44.7
180.03812	0.9
193.01353	1.3
193.05045	2.1
211.02426	1.5
221.06570	0.8
225.56720	1.0
237.04099	1.6
271.02313	1.2
278.72110	0.8
287.01926	1.0
295.04434	3.8
297.06345	0.9
313.05652	20.5
314.05847	1.0
317.03006	5.0
331.04462	1.8
405.04404	2.0
431.10120	0.9
432.14832	0.8
449.10788	3.0
465.00281	1.4
465.06573	10.1
470.25882	0.9
475.08624	2.7
493.10315	12.3
494.09897	1.5
601.11951	24.5
602.12445	3.3
645.10944	100.0
646.11346	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	645.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03436	1.7
59.01384	7.6
61.98823	1.2
65.00316	2.0
67.01874	1.1
69.34094	4.3
69.34503	1.4
71.01382	18.3
72.99294	1.5
73.02950	0.8
75.00868	1.2
83.01392	2.2
83.05000	0.7
85.02953	13.2
87.00871	4.8
88.98814	1.4
93.03464	1.9
95.01413	5.3
96.96010	2.9
97.02929	1.0
99.00881	3.4
101.02449	0.9
103.00372	3.3
107.01389	6.8
108.02171	1.1
109.02943	3.0
111.00881	2.6
111.04503	1.3
113.02451	18.8
115.00356	3.6
121.02956	0.9
123.00890	7.3
123.04508	2.5
124.01665	1.6
125.02451	31.3
129.01926	1.4
135.04462	1.3
137.02452	8.9
139.00388	4.9
139.03912	1.1
140.01128	0.9
149.02365	0.9
151.00381	16.3
151.03995	1.0
155.03499	2.2
157.47423	0.8
161.02478	1.0
164.01146	1.0
165.01968	2.8
167.03519	8.4
168.00600	2.4
169.01431	41.8
170.01770	1.6
173.04509	3.2
175.02507	7.4
177.01863	0.8
178.99844	7.1
179.03505	3.1
183.02948	1.5
183.16068	0.8
191.97473	0.8
193.01378	2.1
193.03551	1.3
203.03407	0.9
207.02956	2.5
209.00864	1.5
211.02425	2.2
214.02670	1.4
227.03458	0.9
242.02643	0.8
271.02429	3.6
272.75085	0.8
287.01938	3.5
299.01944	1.6
315.01257	0.8
316.02237	6.9
317.03012	25.9
318.03244	1.8
325.05707	1.9
327.03568	100.0
328.03867	5.9
475.04947	7.4
476.05859	1.0
493.10464	15.0
494.10580	1.7
555.20905	2.7
593.50891	0.9
619.73047	0.9
645.07379	15.0
645.20679	2.8
646.07666	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01375	2.6
61.98832	4.8
65.95401	0.2
68.99818	0.2
69.03477	0.4
70.81063	0.2
71.01389	1.9
71.53824	0.3
72.99316	0.9
73.02954	0.9
75.00864	0.4
78.95904	0.5
80.96479	0.3
83.01402	0.5
83.05048	0.3
85.02962	1.4
87.00880	0.3
88.98808	0.7
89.02448	1.0
89.52126	0.2
93.03455	0.3
95.01399	0.3
96.96021	1.7
97.02955	0.3
99.00885	0.3
99.04545	0.6
101.02450	1.1
107.01382	0.5
107.05006	0.2
109.02985	0.3
113.02461	1.5
116.92872	0.4
119.03561	0.3
121.02929	0.3
121.06573	1.3
121.48758	0.2
122.03754	1.5
123.00894	0.6
123.04536	0.8
124.01584	0.2
125.02454	3.3
135.04523	3.1
135.08119	0.3
136.05302	44.3
137.02457	0.9
137.05925	1.2
139.00429	0.3
141.01752	0.2
147.08119	0.6
148.05324	0.4
149.02525	0.3
149.06091	7.2
150.06880	2.3
151.00369	0.5
151.03967	0.4
151.07635	0.8
152.99620	0.3
161.02420	0.4
162.06888	2.9
163.07574	0.8
164.08414	4.6
165.01917	0.6
165.09203	20.9
166.09566	1.1
169.01425	2.5
171.02992	0.2
177.01967	0.2
179.07164	0.7
189.04054	0.8
195.06531	0.2
197.11789	0.2
197.85718	0.2
198.55592	0.2
207.10123	0.3
238.92758	0.2
249.06230	0.3
267.07169	0.3
280.04556	0.2
301.03561	1.2
448.31927	1.0
463.34503	1.6
466.33002	4.9
467.33414	0.5
479.33792	0.7
480.34656	3.1
481.35333	100.0
482.35690	12.4
491.15787	0.3
491.28894	0.5
522.92285	0.2
630.77277	0.2
642.77875	0.5
643.27844	4.8
643.40161	2.4
644.27380	0.7
644.39618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01379	1.6
59.84241	0.2
61.98823	2.4
64.56558	0.3
65.10448	0.3
69.44707	1.9
71.01380	1.0
73.02954	0.5
78.95897	0.4
80.96514	0.4
85.02946	0.7
89.02441	0.3
96.96009	1.2
99.04523	0.6
101.02438	0.4
107.05038	0.3
109.02950	0.5
113.02473	0.5
121.02963	0.6
121.06630	1.4
122.03747	1.0
123.04531	0.8
123.08076	0.3
125.02468	2.1
135.04547	2.6
135.08183	0.3
136.05301	43.2
137.02510	0.5
137.05634	1.4
137.09752	0.3
138.03299	0.4
141.12843	0.5
147.08092	0.6
148.05321	0.6
149.06081	5.2
150.06870	3.1
151.07646	0.8
161.02438	0.4
162.06885	1.7
163.07677	0.5
164.08395	4.1
165.09204	35.5
166.09538	1.8
167.03481	0.7
169.01430	1.4
169.68118	0.3
179.07164	0.5
197.11818	0.9
209.11769	1.0
261.18561	0.5
289.07227	0.6
308.27014	0.3
337.20065	0.4
371.24564	0.3
448.31754	0.5
463.34329	2.1
463.40302	0.4
466.32935	2.2
479.34048	0.9
480.34448	1.8
481.35333	100.0
482.35703	13.2
643.30017	0.4
643.40021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06780	0.4
57.03440	0.8
59.01385	3.8
61.98835	4.0
71.01377	2.7
71.55830	0.5
72.99323	0.4
73.02933	1.1
75.00868	1.4
80.96471	0.5
83.05004	0.4
85.02943	2.1
86.31620	0.5
87.00853	0.5
89.02442	0.9
90.98588	0.9
96.96011	0.9
99.04514	1.3
99.35434	0.4
101.02424	1.5
107.05015	0.4
107.21213	0.4
109.02972	0.5
112.98739	0.4
113.02450	1.9
119.03494	0.6
120.41293	0.5
121.02959	0.7
121.06579	1.2
122.03729	1.4
123.00906	1.1
123.04517	1.4
125.02449	3.4
135.04564	3.1
136.05302	46.8
137.02431	1.5
137.05753	1.8
139.14034	0.4
147.08095	0.8
148.05286	0.6
149.06068	9.3
150.06880	3.7
151.07616	1.2
161.02382	0.5
161.04568	0.4
162.06879	3.0
163.07637	0.8
164.08412	4.3
165.01933	3.3
165.09212	25.6
166.09537	1.7
168.00562	0.9
169.01367	2.4
179.03511	0.9
179.07201	0.7
180.04277	2.0
183.13931	0.6
195.06612	1.4
208.47188	0.4
210.05344	0.5
225.07683	1.6
267.44415	0.5
293.17566	1.6
349.18698	1.0
373.25839	0.7
392.67569	0.5
448.32211	0.6
463.34305	1.8
466.32861	4.2
467.32785	0.6
479.33771	1.5
480.34460	6.5
481.35324	100.0
482.35687	13.5
595.21381	0.9
625.36029	0.7
642.78644	0.9
643.29578	1.4
643.40308	4.2
644.30859	0.8
644.40936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99384	0.2
55.81918	0.1
57.03446	0.4
59.01376	2.1
61.98829	3.3
69.03448	0.2
69.18999	1.0
69.19427	0.7
69.38391	0.2
69.98838	0.2
71.01386	1.7
71.05022	0.5
72.99313	0.3
73.02960	0.4
75.00864	0.4
83.01375	0.3
83.04965	0.2
85.02955	0.9
87.00883	0.4
88.97128	0.1
88.98805	0.5
89.02437	0.8
95.01388	0.2
96.96021	0.6
97.02945	0.3
98.20637	0.4
99.00864	0.2
99.04527	0.8
101.02454	0.6
105.22727	0.2
107.01408	0.2
107.05053	0.4
108.02197	0.2
109.02925	0.3
111.04530	0.4
113.02443	0.8
121.02939	0.7
121.06615	1.3
122.03754	1.3
123.00901	0.5
123.04510	0.7
123.08176	0.2
124.01648	0.2
125.02447	2.6
126.02747	0.2
134.03671	0.2
135.04527	3.1
135.08188	0.4
136.05299	48.9
137.02438	1.3
137.05748	1.5
146.55377	0.2
147.08163	0.8
148.05313	0.3
148.06473	0.2
149.02457	0.3
149.06071	7.2
150.03214	0.6
150.06873	2.8
151.00337	0.4
151.03958	0.5
151.07629	0.7
154.91383	0.2
161.02460	0.4
161.06113	0.2
162.06866	2.5
163.04066	0.2
163.07651	0.6
164.01163	0.2
164.08415	5.1
165.01947	3.2
165.09201	28.4
166.02679	0.4
166.09515	1.1
167.03572	0.2
169.01390	1.8
174.85767	0.2
177.01956	0.2
179.03510	1.0
179.07167	0.8
180.04272	1.6
181.05054	0.9
194.05832	0.2
195.06624	2.2
196.06839	0.2
207.10260	0.2
209.61031	0.2
210.05247	0.3
211.02333	0.2
225.07632	1.6
285.04010	0.2
288.30554	0.2
316.02130	0.4
317.02859	0.2
329.17603	0.2
337.65057	0.2
373.26047	0.5
417.15482	0.6
448.31946	0.9
452.18784	0.2
461.32730	0.2
463.34381	1.3
464.35260	0.2
466.32892	4.4
467.33255	0.6
479.33893	0.9
480.34534	1.9
481.35315	100.0
482.35663	12.0
595.21686	1.2
596.22260	0.3
642.78400	0.2
643.28015	1.2
643.38873	1.7
643.79022	0.3
644.28143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65807	0.7
59.01372	5.2
61.98828	7.9
67.01889	1.5
69.03437	0.6
70.01656	2.7
71.01386	3.9
72.99298	0.7
73.02929	1.7
85.02961	1.8
87.00919	0.7
88.98819	1.4
89.02442	1.9
93.03418	0.8
95.01416	1.1
96.96051	1.5
101.02461	1.4
109.02928	4.6
113.02441	1.6
121.02955	1.4
121.06585	1.1
122.03711	0.9
123.00864	2.3
123.04527	1.4
124.01635	0.9
125.02448	5.7
135.04532	2.2
136.01666	2.3
136.05302	23.3
137.02446	26.1
138.02843	1.0
139.00404	0.8
139.04041	1.1
149.02448	1.2
149.06110	5.7
150.03230	2.4
150.06905	1.4
151.00377	5.4
151.04005	4.1
152.01134	1.3
152.04701	1.0
159.04532	1.0
161.02415	0.7
162.06804	1.6
163.04065	1.2
163.07617	0.8
164.01192	2.2
164.08427	1.7
165.01929	100.0
165.05524	3.7
165.09203	11.7
166.02705	14.7
167.03433	2.8
169.01408	2.2
175.02559	0.8
175.04031	1.9
176.04686	0.8
177.01945	1.4
177.05635	1.3
179.03491	22.9
180.04279	51.0
181.05072	19.1
184.03668	0.9
187.04036	1.9
193.04994	1.1
194.05841	3.3
195.02919	2.6
195.06624	70.8
196.07076	3.2
205.05048	5.2
210.05310	10.9
216.49071	0.8
220.07422	2.1
221.08018	1.1
225.07678	47.7
226.08008	2.5
235.09918	1.2
301.03485	1.3
327.08502	1.0
339.08527	0.9
346.49756	0.7
359.11475	2.3
372.12216	1.2
373.25995	2.3
387.11243	1.1
387.14792	5.8
402.13278	1.6
403.14001	2.3
416.14404	1.1
417.15533	26.9
418.15900	2.5
466.32779	0.9
480.34769	3.3
481.35339	51.6
482.35596	3.3
491.28366	1.1
496.13806	1.0
565.18726	3.1
580.19421	1.3
595.21826	37.9
596.22150	5.7
643.20685	2.8
643.29333	2.0
643.39410	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33635	0.9
55.01864	2.7
57.03443	6.8
59.01378	10.5
61.71223	0.9
63.43603	0.9
69.03467	6.6
70.38922	3.3
71.01382	17.2
72.99317	1.5
73.02940	14.5
78.95889	1.3
81.03474	2.2
83.01370	4.9
85.02951	64.4
85.78340	1.0
87.00878	100.0
88.01208	2.0
88.51245	1.0
91.56203	0.9
95.01392	10.9
97.02954	26.2
99.00871	1.4
101.02436	2.2
103.04022	9.9
109.02961	1.7
111.00877	2.0
113.02452	38.4
115.00375	11.3
115.04017	2.8
117.76796	0.9
125.02413	1.9
129.01941	2.0
131.03506	1.3
139.00356	1.9
145.05032	1.1
157.01407	9.5
166.14282	1.0
173.04581	2.5
175.02472	75.8
176.02846	1.0
217.03517	25.7
233.06497	1.0
303.03729	1.6
303.07193	31.3
304.07687	1.7
321.08209	11.6
345.53537	0.9
437.09097	1.1
479.10486	11.0
480.11041	1.4
497.11536	2.7
539.12537	18.8
540.12854	2.2
625.16370	12.6
626.16406	1.6
643.17255	38.3
644.17889	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	642.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.3
61.68736	0.7
61.98818	3.0
69.18877	7.2
71.01391	1.5
83.76336	0.7
85.02927	1.4
98.20589	1.4
107.01395	1.3
107.96659	0.7
108.02158	0.8
113.02471	1.3
125.02448	1.9
136.98996	0.6
148.01653	1.5
151.00381	3.4
163.00375	1.2
169.01424	1.5
174.74823	0.6
178.99844	2.4
195.42969	0.8
196.13081	0.8
199.03954	0.7
202.94157	0.7
215.69890	0.7
226.02756	1.2
227.03461	1.6
243.03001	8.3
254.02171	2.0
255.02966	19.9
256.03400	2.0
271.02460	44.8
272.03043	4.3
299.01981	2.0
300.02734	100.0
301.03247	11.4
397.00043	0.8
579.13525	90.0
580.13861	11.5
641.32648	3.9
642.33588	2.9
643.12726	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84617	2.0
55.01875	2.0
55.23234	2.0
55.82876	2.2
57.03443	7.0
59.01380	9.4
59.87009	2.0
61.27330	2.2
67.01880	2.2
67.55786	2.4
69.03458	6.6
69.83720	9.0
69.84135	4.4
71.01382	12.7
73.02953	16.5
83.01367	4.5
85.02448	3.7
85.02953	59.3
87.00873	100.0
95.01382	7.2
97.02957	26.1
98.20589	3.0
99.62080	2.1
103.04015	11.8
111.00923	2.1
113.01688	4.3
113.02450	50.0
115.00377	12.2
129.01990	2.2
157.01431	8.4
173.04521	3.8
175.02470	80.6
176.02852	2.7
193.34618	2.3
217.03505	25.5
303.07193	32.4
321.08218	13.4
358.50415	2.3
479.10547	13.2
539.12421	19.7
625.16150	18.7
626.16040	4.6
643.17316	43.3
644.17194	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	642.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	11.6
61.98829	10.3
71.01365	4.5
71.45010	2.3
71.52669	4.2
72.99318	3.5
85.02967	2.4
87.00866	3.2
88.98786	13.3
96.95994	2.1
107.01392	9.3
111.00879	3.6
113.02458	3.8
114.52229	2.6
123.00887	11.3
125.02451	41.9
126.02679	2.9
140.01135	4.6
140.07156	13.1
151.00354	6.9
168.00589	5.1
169.01419	57.3
191.11928	2.5
211.02567	3.0
271.04483	3.0
313.05661	12.5
454.13562	26.4
539.02740	3.8
606.04889	6.0
606.14587	100.0
607.14850	11.8
641.34979	2.8
642.22144	3.1
642.33868	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	641.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.6
59.01379	6.0
59.29284	1.0
61.98832	25.7
69.29510	9.4
69.90353	0.9
71.01386	4.6
73.02962	1.5
76.81876	1.0
78.95907	5.2
88.53342	0.9
88.98816	1.1
89.02434	1.1
93.03448	1.5
96.96009	11.1
96.96951	4.3
98.20673	1.6
99.04527	1.4
101.02418	1.6
107.01387	1.1
113.02449	1.7
119.43498	0.9
121.02949	2.1
121.06564	2.2
122.03737	1.9
123.00912	1.2
123.04488	1.0
125.02442	16.7
135.04515	3.6
136.05296	74.7
137.02417	2.3
137.05745	2.4
147.08173	2.0
148.05228	1.6
149.06084	12.0
150.06854	6.4
151.00398	1.1
151.07613	1.4
152.99530	4.6
161.02437	2.9
162.06837	3.7
163.07620	3.2
164.08444	9.3
165.09200	48.8
166.09436	2.9
167.03490	1.1
169.01428	9.9
170.01701	1.1
179.07095	1.3
183.01154	1.2
196.96509	1.1
207.10303	1.3
211.13339	2.3
241.01279	2.3
287.73291	1.1
303.19556	1.3
306.18396	4.8
321.20688	54.7
322.20996	3.6
350.20987	3.9
396.11349	1.1
446.30273	2.6
461.32724	42.0
461.39240	2.4
462.33356	5.9
477.32104	1.6
478.32706	4.4
479.33728	100.0
480.34052	13.1
489.21539	2.0
578.39319	1.0
579.23834	1.4
623.23767	1.2
641.22687	1.4
641.30243	1.7
641.39020	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	641.3908
Annotation	brassinolide-23-O-glucoside
Peak:m/z	Relative Intensity
54.46304	0.6
57.03445	1.7
59.01370	4.7
61.98826	15.9
69.96320	0.7
71.01369	2.1
71.53495	0.8
73.02961	1.3
74.38446	0.6
75.00875	0.6
78.65565	0.8
78.95907	2.3
81.03484	0.7
83.01376	1.0
83.05018	0.7
85.02960	0.9
88.98835	0.7
93.03468	1.2
95.01395	0.9
96.96009	4.4
96.96955	1.1
99.04527	0.9
101.02457	1.5
107.01356	0.9
111.04536	0.8
113.02409	1.2
121.02925	1.5
121.06618	2.2
122.03732	0.8
123.00813	0.8
123.04538	1.0
125.02444	9.6
135.04539	2.1
136.05293	50.0
137.02460	1.2
137.05974	2.2
147.08150	0.7
148.05272	1.0
149.06082	9.3
150.06874	3.6
151.00389	0.8
151.04012	1.3
151.07613	1.1
152.99588	2.6
161.02449	2.0
162.06834	2.0
163.07680	1.0
164.08405	5.2
165.09198	35.3
166.09563	1.6
169.01451	5.8
183.01265	1.5
207.10185	0.7
209.11899	0.8
211.13428	1.6
225.30722	0.6
241.01181	0.8
288.17310	0.6
306.18427	2.9
321.20682	19.3
321.24518	0.9
322.20920	1.3
350.20981	5.5
392.67981	0.9
413.68033	0.6
446.29831	0.7
458.73776	0.7
461.32779	10.9
462.33337	1.8
477.32419	1.3
478.32895	2.6
479.33771	100.0
480.34045	13.4
489.21912	3.4
490.22479	0.9
641.24170	2.9
641.38000	1.9
641.64124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3907
Annotation	brassinolide-23-O-glucoside
Peak:m/z	Relative Intensity
50.50227	0.4
57.03265	0.9
57.03571	2.0
59.01171	1.7
59.01509	3.8
59.59472	0.5
59.64897	0.5
61.98601	6.2
61.98964	15.5
71.01105	0.9
71.01540	2.7
71.55886	0.6
73.03069	1.1
75.00990	0.9
78.96034	0.5
79.95914	0.5
80.96685	1.5
83.01514	0.8
83.05132	0.5
83.47845	0.5
84.13602	0.5
85.03117	1.8
85.06810	0.4
87.00533	0.4
87.01031	1.0
88.98936	0.5
89.02617	1.6
93.03586	0.8
96.95599	0.6
96.96152	1.1
99.04694	1.4
101.02647	1.6
107.01524	0.7
107.05170	0.6
109.03144	0.8
111.04659	0.5
113.01932	0.5
113.02645	1.4
116.93066	1.5
121.03120	0.7
121.05966	0.5
121.06818	1.6
122.03949	1.8
123.01080	1.6
123.04761	1.4
125.01650	1.3
125.02660	12.5
126.01771	0.4
126.02947	0.8
130.08955	9.1
131.09300	4.1
132.09503	1.5
133.09659	0.6
135.04749	3.7
135.08351	0.6
136.03835	1.4
136.05524	48.5
137.02663	1.6
137.06203	1.6
137.09920	0.5
140.01346	0.5
147.08298	1.0
149.02667	0.5
149.05025	0.5
149.06306	7.6
150.06870	4.4
151.00528	1.1
151.04198	0.7
151.07773	1.2
152.99843	0.7
161.02487	3.4
162.06892	2.3
163.07811	1.2
164.08670	4.9
165.07953	1.6
165.09200	27.9
166.09749	0.8
167.03696	0.8
168.00829	1.0
169.01434	5.6
170.01964	0.5
175.02649	0.5
177.02106	1.1
179.03650	0.7
179.07326	0.7
191.05962	0.5
211.02676	0.7
241.20328	0.5
249.06244	0.5
267.07391	0.5
287.05737	0.9
321.20996	1.3
353.23541	1.5
371.25150	0.7
421.29684	2.8
446.30280	0.7
449.32803	2.9
459.11676	0.7
461.32809	5.5
464.31534	3.1
465.31750	0.7
477.31580	0.6
478.32925	1.9
479.33783	100.0
480.34116	12.5
487.27472	1.6
488.27634	1.7
489.28003	3.5
510.19669	1.4
523.14429	1.1
578.22894	0.8
606.47119	0.5
641.28589	21.6
641.38544	1.2
642.29248	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	641.354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.5
61.98827	2.0
70.67504	0.7
70.67851	1.1
71.01383	1.5
78.95895	0.9
81.58931	0.5
85.03004	0.6
86.81953	0.6
87.00825	0.6
89.02435	1.5
93.08947	0.5
94.41806	0.5
96.65551	0.5
101.02436	1.6
106.03947	0.5
110.78795	0.6
113.02442	0.6
125.02448	1.0
137.06067	1.0
139.04004	0.8
153.29634	0.6
161.04535	0.6
165.05553	1.3
165.12814	1.1
174.28075	0.5
183.13895	6.2
184.14304	0.6
193.12331	1.6
211.13379	100.0
212.13744	4.0
235.08145	1.3
253.09265	4.7
387.25537	1.1
405.26254	0.9
406.27359	0.6
447.22308	5.0
448.22610	0.5
479.33731	1.1
623.34161	1.9
644.06830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12062	0.4
51.17875	0.4
59.01377	1.7
61.98816	1.4
69.23311	3.7
71.01384	1.4
77.78619	0.4
89.02444	1.9
101.02446	2.3
113.02448	0.5
125.02441	0.9
126.51548	0.4
150.06821	1.2
161.04514	0.9
169.01492	0.6
171.10429	0.5
176.68365	0.4
183.13902	7.2
193.12312	1.7
211.13385	100.0
212.13713	5.1
235.08168	1.9
253.09288	3.5
387.25336	1.4
393.28769	0.5
405.26447	1.1
429.21323	1.0
447.22449	4.9
479.37558	1.8
623.34265	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	641.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.5
57.95233	1.0
59.01377	18.8
68.99815	2.6
69.03440	2.1
69.67437	6.8
71.01382	19.9
72.99299	8.3
73.02937	3.1
73.80639	1.0
74.21870	1.0
75.00872	17.4
81.03467	1.5
83.01385	1.6
85.02949	18.5
87.00865	7.2
89.02439	4.9
93.03452	2.1
95.01403	5.2
97.02952	1.2
98.19923	2.1
99.00883	12.1
101.02433	1.4
103.00330	2.7
107.01380	1.2
109.02930	1.4
111.00862	3.0
111.04482	1.0
113.02455	20.7
117.01943	3.1
119.05054	2.5
121.02939	5.5
122.03703	2.8
123.00864	2.0
123.04524	3.2
125.02439	11.0
129.01939	2.1
132.02194	1.0
133.02979	1.9
134.03719	1.9
134.73155	0.9
135.04509	4.3
136.05305	11.3
137.02437	1.1
137.06087	1.6
139.11270	1.9
143.03505	1.5
146.03674	1.2
149.02451	9.2
149.06131	1.8
150.03230	32.4
151.00368	1.1
151.03996	6.5
151.07629	1.5
155.03564	1.5
157.01369	1.5
163.03973	2.7
164.04779	3.5
165.05574	19.4
169.01434	12.7
175.02483	3.3
178.10394	1.1
181.05054	3.0
183.10291	2.2
195.06631	22.1
227.37570	1.1
231.05072	1.8
249.06097	20.3
252.06467	1.0
267.07159	11.6
283.09732	2.4
286.32327	1.2
308.73877	1.1
311.09207	5.4
316.02084	1.6
325.10931	1.8
337.65073	1.1
343.11835	22.1
391.13712	1.4
425.11115	1.6
444.12775	8.8
445.13583	1.3
465.17426	1.2
479.08206	3.0
489.10336	4.0
493.19101	12.0
593.18835	2.7
605.11151	3.8
623.19781	7.2
624.20190	1.5
641.20953	100.0
642.21393	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	641.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84243	0.5
57.03442	1.5
59.01379	16.4
61.98850	0.8
67.01884	2.1
69.03455	2.4
69.82924	1.1
69.83334	2.2
71.01382	14.5
72.01730	0.7
72.99316	1.1
73.02956	2.5
75.00849	0.9
79.01916	0.6
81.03471	1.9
83.01392	1.8
83.05041	3.4
85.02961	5.5
87.00876	2.5
88.98828	1.1
89.02448	13.5
93.03452	14.3
93.20623	0.7
95.01356	0.9
97.02937	1.6
99.00883	0.6
101.02461	2.8
107.01386	12.4
107.49113	0.6
109.02927	0.7
111.00888	2.4
111.04529	15.3
113.02467	2.5
119.05008	0.9
121.10236	2.7
123.00893	3.4
124.01627	1.5
125.02445	73.8
126.02761	1.8
127.04013	2.3
129.01945	1.5
129.82150	0.5
131.03549	4.0
137.02441	8.8
139.00412	1.3
140.01198	0.6
149.04544	1.1
151.00372	2.4
154.99910	0.7
155.03500	25.8
156.03844	1.3
163.04008	1.6
165.02042	0.6
165.09212	1.7
167.10722	1.0
168.00623	2.6
169.01418	100.0
170.01764	3.5
173.04538	29.3
174.04871	1.1
177.01945	0.9
191.05605	2.9
193.01407	1.5
211.02502	0.8
219.06808	0.7
245.04576	1.5
283.04626	2.5
287.14917	0.8
307.04587	2.2
315.14420	11.6
325.05630	24.7
326.06036	1.2
343.06613	4.1
391.27118	0.7
467.15488	7.4
468.15762	1.4
471.18765	11.7
472.18793	1.1
489.10550	6.1
489.19803	8.6
490.10458	0.9
605.10547	0.8
623.19659	0.9
641.20831	86.2
642.21252	12.9
642.31555	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99804	0.8
57.03442	1.7
57.42064	0.8
58.00595	1.6
59.01384	15.9
67.01891	1.0
67.77354	0.8
69.03465	1.9
71.01380	12.0
73.02937	2.4
81.03445	2.3
83.01366	1.9
83.05029	2.9
85.02940	5.5
87.00868	3.1
89.02448	11.9
93.03460	15.4
93.78105	0.9
97.02946	1.2
101.02449	2.9
104.06594	0.8
107.01396	10.6
109.02978	1.4
111.00873	2.1
111.04522	16.8
113.02460	2.4
119.05038	2.1
121.10225	2.7
123.00915	1.7
125.02452	74.4
126.02779	1.5
127.04037	1.8
131.03522	4.0
137.02452	10.9
139.00345	1.4
142.76221	0.9
149.04582	1.3
149.72491	0.8
155.03517	27.9
163.03976	3.3
165.09253	2.0
167.10803	1.5
168.00641	0.9
169.01434	100.0
170.01779	3.6
173.04552	30.6
191.05597	3.3
193.01299	1.1
201.05417	1.4
245.04485	1.2
307.04544	1.8
315.14438	11.3
321.85028	1.0
325.05627	25.1
325.11334	1.0
326.05893	1.2
337.09305	0.9
343.06830	3.9
471.18826	12.9
472.18817	1.3
489.10486	9.3
489.19775	9.2
490.10648	1.6
493.17883	1.1
641.20911	89.1
642.21320	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	641.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.7
59.01379	14.3
61.98827	5.6
68.99805	1.5
69.03432	1.6
71.01377	13.0
72.43184	1.1
72.99311	4.6
73.02939	4.0
73.99612	1.2
74.60224	1.3
75.00875	6.7
81.03448	1.2
83.01381	2.5
84.55195	1.1
85.02945	9.9
87.00851	3.0
88.98801	5.5
89.02431	3.7
93.03472	2.2
94.80460	1.2
95.01374	3.8
96.95991	5.2
97.02940	2.5
98.95589	2.2
99.00870	3.4
101.02440	5.4
107.01390	9.7
109.02953	2.1
111.00883	4.5
111.04556	1.3
113.02447	8.3
115.00393	1.8
115.21040	1.3
116.92856	3.5
118.92673	1.4
119.05012	2.3
123.00890	9.3
124.01687	3.8
125.02450	79.0
126.02775	2.7
133.49129	1.1
137.02425	3.5
139.00392	6.5
140.01135	3.3
141.01860	1.5
149.02391	2.1
151.00385	12.0
152.01151	3.1
161.02429	1.9
163.03961	2.3
167.03465	3.0
168.00606	12.1
169.01428	100.0
170.01825	2.6
173.04614	5.8
177.01820	1.5
178.99858	6.5
179.03407	1.3
181.01369	1.7
191.05492	3.8
193.01488	7.1
196.15523	1.2
201.05377	1.4
201.11263	1.7
203.05370	1.1
211.02460	33.1
241.03464	3.0
249.06050	1.7
253.03406	2.2
271.02283	2.1
271.04626	20.8
306.97745	1.4
313.05594	4.6
315.01437	1.9
316.02350	1.9
325.05606	2.3
331.06546	3.6
390.25827	3.9
391.26871	8.5
404.86972	1.1
405.04678	1.4
423.05344	5.8
443.15433	1.8
463.06659	4.9
465.26761	3.4
471.15329	1.4
477.06573	2.2
483.07648	5.6
489.09726	3.7
489.15900	15.0
495.07883	6.4
551.13226	1.8
592.90588	1.3
609.12274	3.4
640.32672	18.5
641.17200	97.7
641.33331	32.3
642.17920	11.9
642.33997	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	641.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	15.8
59.38981	3.5
61.98806	3.7
71.01385	11.1
71.55447	5.2
75.00850	5.0
85.02952	11.0
88.98791	6.4
89.02443	10.7
96.96020	4.5
101.02453	4.1
107.01401	11.4
111.00855	10.7
111.04501	7.5
113.02445	10.5
119.05016	6.9
123.00871	14.8
124.01646	15.4
125.02441	94.6
137.02394	7.1
138.40292	3.8
139.00325	6.7
140.01086	4.5
151.00349	10.5
155.03491	13.4
163.04028	10.8
167.03496	7.5
167.50142	3.6
168.00598	8.0
169.01421	100.0
170.01779	4.8
173.04518	10.3
325.05487	12.7
453.10266	14.8
467.15405	7.1
471.17816	4.1
489.10254	31.7
605.11456	89.5
606.11987	12.2
640.33771	5.0
641.20599	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.3
61.98843	0.9
65.00315	1.5
69.37585	6.0
71.01376	2.8
71.47307	0.6
72.99297	0.7
73.02962	1.2
75.00867	2.4
75.90887	0.6
85.02941	3.4
87.00868	1.8
89.02460	0.7
93.03446	0.9
95.01385	0.9
107.01379	3.5
108.02154	0.8
109.02940	1.8
113.02470	3.6
123.00912	0.8
124.01634	1.9
125.02461	5.5
135.34128	0.6
137.02458	6.0
138.51776	0.7
150.03212	2.5
151.00363	12.8
152.01073	1.9
163.00349	0.9
163.04028	1.3
164.01140	1.3
165.05569	1.9
167.03580	1.0
167.27669	0.6
169.01433	6.1
173.04485	1.4
178.99829	10.8
181.12361	0.7
188.06732	0.7
190.99875	0.7
193.01372	1.2
195.06677	1.4
203.03535	1.2
214.02698	3.8
227.03568	1.0
242.02150	3.6
243.02846	2.2
243.12250	0.7
249.06200	2.8
259.02463	4.1
267.07294	1.5
270.01746	4.5
271.02460	24.5
272.02731	1.4
287.01929	14.3
288.02530	2.0
315.01434	2.1
316.02225	71.5
317.02966	49.3
318.03479	3.7
343.11731	1.7
444.13052	0.9
479.08270	100.0
480.08536	9.7
489.10355	3.6
493.19287	5.0
595.04431	0.9
641.12689	2.1
641.21967	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	640.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23515	0.2
56.98010	0.2
57.03439	0.4
57.91721	0.2
59.01384	1.9
61.98829	100.0
71.01389	1.0
72.99310	0.3
73.02962	0.5
75.00885	0.3
78.95903	0.4
79.95741	0.2
80.96526	0.7
81.03454	0.2
83.01407	0.4
85.02969	0.5
88.98817	0.7
89.02463	0.6
93.03502	0.3
95.01398	0.2
96.96017	0.9
97.02980	0.3
99.00895	0.5
99.04550	0.4
101.02458	0.5
107.01451	0.2
107.05047	0.4
109.02972	0.3
111.04514	0.2
113.02465	0.7
116.92866	0.8
119.05029	0.5
121.03007	0.3
122.03764	0.6
122.61607	0.2
123.00900	0.2
123.04525	0.3
125.02444	2.6
126.02790	0.3
135.04561	0.5
136.05298	2.9
137.02458	0.7
149.06107	0.9
150.06947	0.3
151.00378	0.5
151.07657	0.7
152.01228	0.2
161.02464	0.6
162.02800	0.3
164.08437	0.3
165.09232	1.5
167.03603	0.2
169.01439	1.8
170.01913	0.3
175.03938	0.2
177.01917	0.4
191.03479	0.3
225.00734	0.3
227.76294	0.2
229.08806	0.4
271.06131	0.5
272.06570	0.3
273.07755	0.4
327.21976	0.2
382.56717	0.2
420.13113	0.2
435.13104	0.7
478.32898	0.8
479.23111	0.3
479.33923	5.1
488.22583	0.4
551.24902	0.4
640.25024	0.8
641.18579	0.3
641.26923	1.7
641.36670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.0
59.01366	3.3
61.98830	98.6
67.01868	0.9
69.03442	2.8
69.86508	2.6
69.86916	1.5
69.89623	0.8
71.01389	1.9
73.02949	0.9
76.70526	0.8
81.47340	0.8
83.01342	0.9
83.05033	2.1
85.02954	1.1
87.00893	1.9
88.98829	1.0
93.03456	6.9
98.19896	1.0
99.04523	4.2
107.01393	7.9
109.02956	1.0
111.04525	8.9
112.63892	0.9
123.00880	2.4
125.02450	57.0
126.02779	1.5
127.03985	1.7
130.08733	11.0
131.09045	2.6
136.05298	6.0
137.02435	5.3
139.00377	1.1
149.06091	2.2
151.00327	1.2
155.03502	16.6
161.02441	1.0
165.09154	3.6
168.00754	1.4
169.01424	88.0
170.01744	3.6
173.04556	17.2
191.05562	1.4
216.78496	0.9
245.04422	1.3
251.16502	37.1
252.16922	1.6
292.20798	1.0
325.05637	11.3
326.05972	1.1
343.06573	1.1
407.20795	2.7
425.21851	4.4
449.32672	3.6
461.32639	2.9
477.31659	1.3
478.32666	1.1
479.33719	6.6
487.26978	1.8
488.27704	3.3
577.22858	100.0
578.23175	17.8
589.91296	1.0
639.28174	2.3
640.19513	1.1
640.28833	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	639.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
58.00555	0.6
59.01379	7.5
61.98835	2.9
62.57054	0.6
67.01839	1.6
68.99777	1.4
69.03418	1.7
69.62095	2.8
71.01382	6.4
72.99277	1.3
73.02911	1.1
74.02427	2.1
75.00832	1.2
77.68357	0.5
83.01351	1.5
85.01080	0.5
85.02953	10.4
86.00097	0.8
87.00885	2.8
87.04481	1.1
88.98785	0.8
89.02419	1.2
90.82698	0.5
91.03948	0.6
95.01388	2.8
95.04914	0.5
96.95945	1.5
97.02905	1.0
97.06567	1.0
98.19937	0.7
99.00835	1.3
101.02396	0.9
109.06559	0.7
111.00840	2.4
113.02445	8.1
116.92828	0.6
121.02875	0.5
121.29449	0.5
123.08122	1.4
124.01627	0.6
125.02435	8.2
129.01901	0.8
135.08084	0.6
139.00348	1.3
139.04016	0.8
139.11263	1.1
141.12834	0.9
151.00287	0.7
153.09187	0.9
157.01447	0.6
157.12254	2.0
161.02328	1.1
167.03496	1.2
168.00487	0.9
169.01418	12.7
169.12265	1.0
172.75037	0.6
177.01900	1.4
183.02974	8.9
185.00812	0.6
185.11867	4.1
215.12822	2.5
220.34117	0.5
249.05920	0.5
263.07724	4.1
271.06094	0.9
274.34830	0.6
311.22330	0.8
327.21710	1.0
327.25302	1.4
329.23340	7.0
335.04044	2.9
335.16974	1.2
355.25009	0.8
357.26419	3.8
358.26669	0.7
373.25891	3.8
375.27496	85.0
376.27808	7.0
433.09439	0.9
451.10367	1.1
462.26581	0.9
463.27374	1.4
487.17978	1.3
587.31622	0.6
595.33807	0.8
607.33362	1.5
639.19086	3.4
639.36084	100.0
640.36401	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	639.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.6
59.01379	30.5
61.98827	43.2
69.24742	17.5
71.01394	23.3
72.99324	3.4
73.02941	3.8
76.13130	1.7
78.95919	7.5
81.03478	3.2
83.01392	4.2
83.05022	6.4
85.02959	8.0
85.06639	1.9
87.00890	7.9
89.02444	8.6
97.02916	2.9
97.06571	3.7
97.45345	2.0
98.94893	1.9
101.02436	15.9
111.08163	5.2
113.02474	9.5
119.05042	2.2
123.08159	1.9
125.02462	8.5
125.09715	15.1
131.03534	1.9
135.04532	3.1
136.05296	27.3
145.05048	3.5
149.06075	11.1
150.06863	9.5
152.99625	5.3
161.04584	5.2
163.07669	8.2
163.11221	1.8
164.08479	5.0
165.09262	9.1
167.03548	2.6
169.01491	5.1
171.10265	61.3
171.11671	3.6
172.10619	3.1
179.05600	2.1
185.11848	2.1
201.44635	1.8
203.52641	1.7
205.15894	2.9
207.13972	3.9
209.11833	15.1
211.13380	24.1
215.14439	8.0
221.15582	2.7
231.13927	7.2
233.15465	45.9
233.17723	3.1
234.15785	3.7
235.08209	8.5
235.13440	3.1
249.14938	42.7
250.15347	2.6
251.16650	2.3
253.09355	7.2
314.68848	2.1
331.26547	4.5
341.24902	4.8
359.26190	3.7
367.22882	4.9
375.25513	5.0
385.23730	30.2
393.26303	2.3
403.24887	49.4
404.25314	3.4
421.25815	16.7
452.84085	2.0
462.29428	2.5
476.31647	2.8
477.31589	60.1
478.32629	7.8
485.24380	6.3
611.34998	3.9
621.32739	100.0
622.32794	12.9
639.34161	60.8
640.34583	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	639.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12247	0.7
57.03423	3.1
59.01377	23.6
59.81445	0.8
61.98808	3.5
62.73325	0.7
68.99806	1.1
69.03455	1.9
69.18353	7.9
71.01387	11.5
72.26147	0.8
72.99294	3.7
73.02949	1.8
74.02476	0.7
75.00870	8.5
76.72344	1.0
77.58762	0.9
83.01402	1.3
85.02945	12.0
85.68618	0.7
87.00877	4.0
89.02431	2.4
95.01366	3.4
96.95988	3.1
97.06547	1.5
99.00879	6.8
101.02426	1.5
107.01361	0.9
108.09190	0.9
108.74081	0.7
109.02972	0.7
109.06590	1.1
111.00873	1.3
113.02451	11.3
115.00340	1.7
116.92776	0.7
117.01909	0.9
123.00869	0.7
123.08159	1.4
125.02437	6.3
129.01950	1.1
135.08197	0.9
136.05251	1.4
139.00359	1.3
139.11232	0.8
141.01956	0.9
147.02946	0.9
157.12309	1.6
161.02461	0.8
163.03932	1.0
169.01421	9.1
169.12320	1.3
175.02408	1.7
177.01865	1.3
183.03026	3.7
185.11787	3.1
189.04005	1.0
211.02489	0.8
215.12779	1.7
234.42104	0.7
249.06131	5.9
263.07587	1.5
267.07059	0.8
271.06223	0.9
311.22119	2.5
318.60806	0.8
327.21802	1.6
327.25226	6.5
329.23303	39.3
330.23694	3.7
335.03909	2.2
345.05460	0.7
357.26270	1.7
373.25671	1.8
375.27493	26.6
376.27637	1.3
389.25296	1.8
463.28568	1.8
477.31891	2.4
536.81610	0.8
579.30261	2.1
621.30920	1.0
639.32361	100.0
640.32794	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	639.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.4
59.01379	12.4
61.98818	1.1
68.99821	1.1
69.30257	1.6
69.30663	4.8
71.01388	10.7
72.99316	4.6
73.02931	3.6
75.00882	9.2
83.01406	1.0
85.02943	11.6
87.00891	3.5
87.04498	1.5
88.98788	1.7
89.02428	2.9
93.03423	0.7
95.01379	2.9
97.06565	1.5
99.00886	6.5
103.00358	1.3
111.00936	0.7
113.02449	11.9
115.00385	1.4
117.01923	1.8
123.08142	1.1
125.02430	3.3
125.09756	1.9
137.09747	1.4
139.11307	1.0
140.01089	1.0
153.09273	0.9
169.01408	2.9
171.10248	2.9
175.02640	1.0
185.11783	1.2
201.11267	4.2
212.04251	0.7
215.12877	8.7
216.13036	0.8
242.05992	1.0
248.53531	0.7
249.06165	8.7
267.07062	1.1
341.23175	0.9
353.23529	1.1
359.24313	1.1
371.24344	3.2
389.25479	23.1
390.25778	1.4
391.27103	0.8
451.18359	1.4
621.31378	1.2
639.32294	100.0
640.32648	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	639.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29977	0.6
55.01876	0.8
57.03436	2.4
58.00590	0.8
59.01375	11.9
60.99305	0.8
61.28862	0.6
61.98818	2.5
67.01894	1.2
68.99806	0.8
69.03456	1.0
69.33848	2.8
69.34273	2.4
72.99292	4.4
73.02924	2.2
75.00867	10.3
77.84363	0.7
83.01400	0.8
85.02950	12.5
87.00866	4.6
87.04484	3.2
88.98792	4.6
89.02438	2.8
95.01382	3.1
96.96008	10.4
98.20598	1.5
99.00875	7.0
99.92573	3.7
103.00386	1.4
111.00826	1.0
111.56483	0.7
113.02458	11.2
115.00391	0.9
116.92858	38.7
117.01944	0.7
117.92856	2.1
123.00872	1.5
125.02442	5.0
125.09672	1.2
137.06128	0.9
137.09691	1.0
139.11253	1.0
150.03221	0.7
152.28571	0.6
169.01436	7.0
171.10294	1.1
173.04555	0.8
175.02478	1.1
183.13892	1.5
185.11789	5.3
189.02158	0.7
201.11360	1.8
239.88670	0.6
240.04935	0.7
243.15953	5.6
246.82785	0.7
249.06088	6.1
251.29343	0.7
255.16063	1.2
267.07205	0.7
268.23242	0.7
343.11893	0.7
359.24371	2.3
371.24445	5.3
375.27267	0.8
389.25439	27.7
390.25766	2.2
477.19650	1.6
535.31226	0.9
595.33002	1.4
621.31348	1.3
639.32324	100.0
640.32782	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	639.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21048	1.7
57.03443	3.4
59.01377	37.6
61.32314	2.0
61.98834	4.5
71.01379	24.7
71.53840	2.5
72.99297	2.2
85.02934	4.1
89.02442	24.6
89.41617	1.8
90.83430	2.0
96.96014	4.5
101.02433	17.5
109.02935	2.6
109.80576	2.4
113.02436	10.1
119.03518	12.6
125.02464	22.8
139.23860	2.0
169.01424	7.3
175.03960	2.1
177.01930	8.7
203.08217	3.6
243.02950	2.8
244.27011	2.1
303.05255	2.9
323.13467	100.0
324.13623	5.5
393.02417	2.2
611.41302	2.1
639.15173	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	639.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81561	0.9
55.01869	1.6
55.16544	1.0
56.38794	0.9
57.03447	3.7
59.01378	16.4
68.99809	1.9
69.03468	1.7
69.39669	7.3
71.01382	20.0
72.99317	4.9
73.02958	2.1
75.00875	17.2
81.03448	1.0
83.01413	1.2
85.02950	17.8
87.00861	5.9
89.02450	5.9
91.03997	1.4
94.05296	0.9
95.01362	5.0
97.02965	1.1
98.19837	1.9
99.00876	24.9
101.02417	1.8
103.00359	2.0
109.02966	2.5
111.00864	1.5
111.08154	2.5
113.02448	21.0
115.00368	1.0
116.92860	9.0
117.01913	1.8
125.02442	3.5
129.01917	2.3
139.00342	1.1
157.01430	3.1
165.11412	1.3
165.12839	26.0
166.13191	1.4
167.93648	1.1
169.01427	4.2
175.02516	2.0
177.42456	1.1
181.12231	1.1
183.13887	60.9
184.14244	3.3
189.04033	1.8
209.11815	3.2
217.90282	1.0
227.12854	10.6
231.05089	1.3
249.06152	17.8
267.07187	23.0
301.16599	2.5
301.20154	1.1
350.29700	1.1
389.25436	2.8
395.48953	1.1
410.78769	1.1
415.19720	9.5
459.18735	36.7
460.19238	3.1
477.19757	100.0
478.20090	11.5
501.19897	1.4
519.20740	3.8
599.53656	1.1
639.24274	29.2
639.32916	8.2
640.25330	4.0
640.34344	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.8
59.01374	18.1
68.99831	1.8
69.44945	9.9
71.01391	19.3
72.99313	6.5
75.00872	17.1
79.50332	1.6
83.01363	2.3
85.02957	18.1
87.00875	5.6
89.02451	5.2
91.72369	1.5
93.03438	1.8
95.01382	4.4
96.96001	5.4
99.00871	10.1
101.02435	1.2
107.01393	2.4
109.02986	1.6
113.02455	20.7
115.00355	1.3
117.01944	1.5
121.02943	7.0
122.03727	5.4
123.00897	3.1
123.04535	3.0
125.02435	8.2
129.01936	2.6
133.02966	4.2
134.03748	25.0
135.04509	4.1
137.02405	2.9
147.04488	1.3
149.02484	7.4
149.06110	6.5
150.03247	21.7
151.00339	5.7
151.04015	10.1
151.41827	1.4
157.01419	2.4
160.01685	5.5
161.02492	3.6
164.04787	3.1
165.05554	20.5
169.01424	10.1
175.02541	2.3
175.03992	8.1
177.01926	1.6
178.02724	4.8
178.99895	2.9
179.03474	1.7
180.04224	2.4
181.05106	7.9
188.13106	1.3
193.05052	18.5
195.06577	4.5
197.51443	1.8
209.77837	1.4
231.05283	1.8
239.07910	1.3
249.06133	24.0
249.10173	2.1
250.06288	1.9
253.07260	1.7
253.09731	1.5
267.06870	7.9
269.12866	1.8
279.07651	1.8
280.08359	2.3
282.08963	2.9
293.09216	3.6
295.10855	12.6
301.03519	5.3
317.02966	3.1
321.08755	4.5
341.10107	4.9
381.12073	3.8
425.10645	2.2
442.11252	6.5
443.11899	8.1
457.14340	2.9
463.08942	4.0
491.17676	4.1
493.05774	2.6
501.18445	2.4
519.20398	2.1
545.17523	7.3
589.16760	14.2
590.16858	3.3
607.17590	11.8
621.18781	5.4
639.19348	100.0
640.19812	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	639.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
59.01373	2.8
61.98830	11.1
62.07740	0.2
63.50850	0.2
67.01892	0.3
69.03451	0.6
71.01387	1.5
71.55880	0.3
72.99315	0.7
73.02939	0.5
74.02469	0.4
75.00891	0.5
82.10061	0.2
82.34291	0.2
83.01404	0.4
85.02957	0.9
86.02322	0.2
87.00893	0.6
88.98792	0.5
89.02434	0.4
95.01396	0.8
96.96011	1.7
97.02945	0.4
99.00870	0.7
99.92609	0.3
101.02459	0.4
107.01390	0.5
110.00088	0.2
111.00864	1.7
113.02459	1.3
116.92857	2.1
119.05055	0.3
121.02968	0.2
123.00899	1.0
123.08213	0.3
124.01614	1.0
125.02441	4.5
126.02758	0.5
127.00386	0.5
135.04504	0.2
136.05240	0.2
136.98810	0.8
137.02403	0.4
139.00403	1.2
140.01189	1.9
151.00351	0.8
155.10844	0.3
161.02437	0.9
163.03993	0.4
165.05515	0.2
167.03471	0.4
168.00626	4.7
169.01431	5.6
170.01741	0.3
177.01964	0.7
177.05431	0.2
183.02980	100.0
184.03302	3.2
185.00922	0.4
211.02481	0.2
222.57301	0.2
258.61008	0.2
267.06982	0.2
271.06418	0.2
303.01501	0.5
313.51962	0.2
327.25229	0.3
329.23294	0.4
335.04071	44.8
336.04385	3.0
369.15387	0.3
373.26050	0.5
374.26224	0.5
375.27573	1.2
433.09161	0.3
455.02374	0.4
462.27200	0.5
477.32312	0.3
486.20679	0.3
487.05206	0.7
559.28064	0.3
638.20728	0.4
638.35168	1.0
639.20288	1.8
639.33588	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	638.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.3
59.01379	15.1
61.98821	11.5
63.25618	1.0
71.01385	8.5
73.02948	2.4
83.01385	1.3
85.02937	3.0
87.00880	1.9
88.98773	1.4
89.02430	4.0
95.01379	2.3
96.95997	3.2
100.99262	1.1
101.02428	5.6
107.01384	3.0
113.02459	3.7
116.47835	1.1
116.92873	3.2
119.03540	1.3
123.00870	8.3
125.02456	21.4
127.91711	1.1
130.08748	96.6
131.09084	2.5
136.05324	2.1
137.02438	1.6
139.00406	2.3
140.01199	1.9
149.06073	1.0
150.61966	1.2
151.00375	4.6
167.03497	1.6
168.00571	1.6
169.01436	17.0
180.74316	1.2
184.37584	1.0
211.02528	1.9
221.49963	1.1
227.12796	1.7
271.04321	1.6
280.59711	1.0
306.20691	2.4
476.31311	2.1
477.32153	2.8
486.27066	40.6
487.27319	3.5
507.18869	5.6
525.19971	2.2
638.28149	100.0
639.28247	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	638.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.3
59.01104	2.3
59.01380	33.5
60.61127	2.0
61.98830	41.4
63.27342	2.0
63.78244	1.8
70.65584	4.2
70.65919	3.1
71.01381	12.1
72.99300	2.0
73.02943	5.1
74.86369	1.7
75.00863	3.5
78.95904	5.4
81.03478	2.4
85.02949	8.6
88.98811	3.9
89.02444	6.9
93.03444	2.0
95.01389	3.6
96.96018	4.8
97.02979	2.0
99.00852	2.4
99.04492	2.1
101.02439	7.3
107.01387	5.4
113.02428	5.3
116.92850	11.3
117.92886	2.9
123.00901	11.2
125.02449	36.3
130.08737	100.0
131.09071	3.4
136.05305	6.4
137.02457	3.0
139.00366	4.7
149.06049	5.2
151.00352	8.8
152.99582	2.1
161.02426	4.6
164.82738	2.1
165.09180	4.8
168.00591	4.3
169.01427	26.0
177.01852	2.2
209.11812	2.2
218.82628	2.2
227.12943	4.9
252.52507	1.9
289.11932	2.5
476.30911	5.2
477.32407	11.6
486.27142	33.4
487.21445	2.3
487.27704	3.6
507.18652	6.9
638.28192	93.1
639.27856	7.4
639.34094	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	637.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.8
58.00620	1.4
58.56641	0.7
59.01383	10.3
61.98833	3.3
67.01899	2.0
68.35687	0.9
68.99834	1.9
69.03459	2.3
70.09106	1.6
70.09509	1.7
71.01395	10.2
71.69867	0.8
72.19413	0.8
72.99318	1.6
73.02948	2.7
73.03326	1.0
75.00883	3.1
81.03448	0.9
81.33710	0.9
83.01395	1.1
83.05029	1.0
85.02944	12.1
87.00902	3.7
87.04517	1.4
89.02473	2.7
95.01425	2.0
96.96033	2.0
97.06621	1.0
99.00937	1.8
99.04546	1.2
101.02458	1.0
107.01408	1.5
111.00890	2.2
113.02446	10.6
121.10258	1.4
123.08213	1.0
125.02449	6.4
125.09718	1.5
129.01859	1.0
139.00372	2.4
139.11327	2.6
141.12935	1.3
151.00493	1.5
157.12489	1.0
169.01416	5.4
169.04947	0.9
169.12376	1.4
171.40851	0.8
185.11789	5.0
215.12872	10.9
215.14671	1.2
243.15977	1.5
249.06308	1.9
263.07745	4.3
313.23987	1.4
325.24045	2.9
327.21783	5.0
343.24915	13.5
355.24973	4.4
371.24472	1.9
373.25925	70.7
374.26187	5.0
485.20285	2.4
605.31781	2.9
621.97125	0.9
630.39642	0.9
637.21057	2.9
637.34479	100.0
638.34729	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	637.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.8
58.00620	1.4
58.56641	0.7
59.01383	10.3
61.98833	3.3
67.01899	2.0
68.35687	0.9
68.99834	1.9
69.03459	2.3
70.09106	1.6
70.09509	1.7
71.01395	10.2
71.69867	0.8
72.19413	0.8
72.99318	1.6
73.02948	2.7
73.03326	1.0
75.00883	3.1
81.03448	0.9
81.33710	0.9
83.01395	1.1
83.05029	1.0
85.02944	12.1
87.00902	3.7
87.04517	1.4
89.02473	2.7
95.01425	2.0
96.96033	2.0
97.06621	1.0
99.00937	1.8
99.04546	1.2
101.02458	1.0
107.01408	1.5
111.00890	2.2
113.02446	10.6
121.10258	1.4
123.08213	1.0
125.02449	6.4
125.09718	1.5
129.01859	1.0
139.00372	2.4
139.11327	2.6
141.12935	1.3
151.00493	1.5
157.12489	1.0
169.01416	5.4
169.04947	0.9
169.12376	1.4
171.40851	0.8
185.11789	5.0
215.12872	10.9
215.14671	1.2
243.15977	1.5
249.06308	1.9
263.07745	4.3
313.23987	1.4
325.24045	2.9
327.21783	5.0
343.24915	13.5
355.24973	4.4
371.24472	1.9
373.25925	70.7
374.26187	5.0
485.20285	2.4
605.31781	2.9
621.97125	0.9
630.39642	0.9
637.21057	2.9
637.34479	100.0
638.34729	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	637.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.7
57.03445	2.5
58.00614	0.7
59.01380	13.9
59.01684	0.7
61.98834	4.0
67.01901	2.1
68.99822	1.7
69.03475	2.2
71.01379	9.9
71.52709	0.7
72.99330	1.6
73.02957	1.9
75.00866	4.2
83.01410	2.1
83.05042	0.7
85.02950	12.2
87.00883	4.4
87.04535	1.1
88.98840	1.1
89.02480	1.6
90.63767	0.5
91.04032	1.0
95.01385	3.3
96.96028	2.0
97.02982	0.6
97.06628	1.2
99.00878	2.9
101.02428	1.3
107.01448	1.0
109.02982	0.8
111.00916	2.4
113.02449	9.8
114.22544	0.5
115.00372	0.8
116.92846	0.7
118.08547	0.5
119.05029	0.7
121.10236	1.1
123.00909	1.0
123.08171	0.7
125.02447	6.4
125.03177	0.6
125.09727	1.1
129.01981	1.6
139.00407	1.8
139.11324	2.9
141.12938	0.9
151.00418	0.9
155.10774	0.7
157.01483	0.8
157.12355	2.6
161.02458	0.9
168.00706	1.0
169.01404	7.0
169.02583	0.5
169.12393	1.2
170.01814	0.6
185.11870	6.2
186.12163	0.8
189.04111	1.1
205.07211	0.6
213.11349	0.8
214.12224	0.6
215.12860	12.8
216.13287	0.5
243.16000	0.8
249.06085	3.0
263.07672	4.7
291.19687	1.3
309.20883	1.1
313.24005	2.1
317.03040	0.6
325.23831	4.6
327.21771	11.3
328.22357	0.8
341.23581	0.8
343.24863	12.9
344.25330	0.6
355.24887	4.2
371.24582	1.9
373.25916	61.4
374.26251	4.6
387.24118	1.1
461.28110	0.7
485.19809	3.4
486.20389	0.7
575.31122	1.0
577.29059	1.6
605.32178	2.3
619.30164	1.0
637.21082	4.0
637.34247	100.0
638.21112	1.2
638.34595	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.8
59.01380	100.0
67.01865	1.6
68.99821	3.2
69.03471	2.7
69.40976	10.0
71.01376	19.4
72.99326	3.2
73.02950	5.6
75.00884	3.7
76.79124	1.4
85.02952	19.8
87.00879	7.4
87.81352	1.3
89.02421	6.4
90.38737	1.5
91.04014	2.8
91.29340	1.3
95.01402	4.9
95.04996	1.2
96.96034	3.9
97.06592	2.0
99.00883	2.5
99.04491	2.5
101.02457	3.3
103.00390	2.6
111.00896	3.2
113.02443	22.0
113.06060	1.5
123.00901	2.0
124.92559	1.5
125.02456	7.3
139.00435	2.8
142.71727	1.3
151.00356	2.2
156.53746	1.2
157.01433	1.7
157.08727	2.5
169.01393	7.9
180.62032	1.7
185.11774	1.6
201.11403	2.7
205.07217	4.1
207.13870	7.0
209.11906	2.2
225.14935	10.6
231.05275	1.4
243.15906	1.6
249.06177	5.6
263.07733	16.5
267.07227	2.3
269.14044	1.5
281.08786	7.7
298.68173	1.3
313.05698	1.6
323.09778	7.9
327.21930	1.8
329.16080	2.0
369.22656	1.6
387.24002	4.0
389.25415	5.5
392.12344	1.5
433.93954	1.6
457.20950	2.0
471.22235	6.9
485.17212	1.5
489.23355	41.5
490.23941	6.1
533.22369	25.1
533.29987	2.2
534.22931	3.3
551.23627	2.5
575.23663	1.8
593.24237	34.9
593.32037	5.0
594.25116	5.9
637.20959	2.3
637.31006	48.0
638.31134	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	637.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.6
59.04861	0.6
59.54557	0.5
59.88198	0.5
61.98829	5.3
65.67479	0.6
67.01893	0.8
67.32664	0.5
69.03441	1.8
71.01382	3.3
71.05013	0.9
72.99298	1.4
73.02966	0.7
78.95926	0.6
79.01904	0.6
81.03447	0.6
83.01389	1.0
85.02965	1.3
87.00881	1.3
88.04339	0.5
88.98799	1.8
89.02453	1.3
95.01372	2.3
96.95985	0.7
97.02949	1.7
101.02414	1.9
103.43224	0.6
106.00576	0.7
107.01389	10.4
107.98671	0.5
110.00119	0.6
111.00851	3.3
113.02454	1.9
116.92842	1.0
121.02956	0.8
123.00887	11.5
124.01644	2.3
125.02448	44.6
126.02813	1.1
127.00426	0.6
127.11304	0.6
133.42247	0.6
136.05287	0.8
136.98782	1.4
137.02419	1.6
139.00381	5.2
140.01190	3.4
141.01788	0.8
149.06018	0.7
151.00366	7.9
153.01906	0.9
168.00636	7.9
169.01424	57.5
170.01718	1.6
184.04092	0.6
193.01498	0.6
209.11850	1.7
211.02452	9.9
212.02901	0.7
222.83516	0.6
271.04550	10.9
283.16162	0.7
285.03967	1.4
313.05621	2.4
423.05695	0.9
463.53284	0.7
475.30649	1.6
483.07523	1.3
485.20203	17.1
486.20416	1.9
637.21375	100.0
638.21631	15.2
638.31952	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60781	0.8
61.07523	1.1
61.98831	100.0
64.51513	0.8
71.53776	1.0
75.46557	0.9
78.33894	0.9
78.95898	2.2
99.31219	1.0
108.97346	0.8
114.20764	1.0
116.74310	0.8
119.39387	0.9
124.01841	1.1
150.43526	0.8
162.45813	0.8
180.70163	0.9
182.54655	0.9
292.16193	1.0
565.06720	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.3
60.26820	0.7
62.77425	0.8
63.78189	0.7
67.01900	0.8
67.73771	0.7
69.03457	1.3
71.01399	1.5
73.02950	0.8
75.00839	1.0
79.01911	1.3
81.03492	1.1
85.02953	3.0
95.01398	2.1
96.96054	1.1
97.02939	2.0
101.02486	1.7
107.01388	10.8
109.03007	0.9
111.00887	1.8
113.72416	0.8
123.00877	8.8
124.01695	1.9
125.02450	76.1
126.02772	2.6
127.00368	0.8
133.91080	0.8
136.98801	0.7
137.02483	0.7
139.00356	3.5
139.03929	0.7
140.01161	2.1
141.01953	1.4
144.83281	0.8
151.00400	6.8
151.04080	1.5
163.03961	1.3
163.06119	3.0
166.99867	1.0
167.03558	0.8
168.00638	4.6
169.01428	100.0
170.01723	4.4
171.01836	1.5
177.02007	0.8
211.02556	1.0
225.04100	0.9
297.06128	4.4
315.07208	22.5
316.07394	1.7
333.08154	1.2
467.08286	34.6
467.15045	1.7
468.08548	2.8
485.09094	7.1
500.04538	0.8
601.13995	1.0
637.10425	67.9
638.10748	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	636.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
65.54600	0.6
71.54907	0.9
78.95906	1.7
79.92626	0.6
152.99716	0.9
159.73154	0.7
171.10213	0.7
276.89597	0.8
284.42722	0.8
330.45316	0.7
363.13046	0.8
400.14246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64712	0.6
57.03456	0.7
59.01385	11.9
61.98830	8.5
67.01901	2.2
68.99575	2.1
69.03456	0.9
69.32745	4.8
69.94286	0.6
71.01384	7.9
72.99319	2.6
73.02965	1.9
75.00872	1.3
79.01902	1.6
82.45307	0.6
83.01410	2.1
85.02951	4.5
87.00878	1.5
89.02473	2.6
95.01385	4.1
96.95998	4.9
97.03002	1.8
99.00884	1.5
101.02426	3.9
107.01387	8.0
111.00883	2.9
112.98628	2.4
113.02460	3.3
113.93710	0.6
116.92903	2.7
119.03554	0.8
120.01261	0.9
121.02930	1.0
123.00890	21.2
124.01683	1.8
125.02445	34.7
126.02779	3.4
127.00425	1.7
128.07172	3.5
136.98849	2.7
137.02469	1.5
139.00388	8.4
140.01160	5.3
141.01997	2.9
151.00374	13.4
151.01552	1.0
151.04005	0.9
152.00787	0.7
153.01964	1.4
165.05540	0.9
166.29294	0.5
167.03502	0.9
168.00626	4.3
169.01421	41.4
170.01772	3.6
177.01942	1.3
177.94048	0.7
179.03548	1.1
181.05045	0.7
191.03598	0.7
196.05919	0.7
211.02443	6.6
211.03990	0.6
241.85103	0.6
271.04544	4.9
301.03534	0.7
313.05676	1.6
317.03247	1.8
357.27078	0.7
375.27432	4.4
376.28052	3.4
483.18649	1.3
484.19324	3.8
484.25952	1.8
485.20139	3.8
507.18390	4.0
523.21869	7.1
548.24982	3.6
592.27985	0.9
627.62671	0.8
635.36780	0.9
636.27216	100.0
637.20947	7.3
637.29620	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	635.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
63.11060	1.9
70.57217	2.0
70.64060	6.6
71.01393	2.6
89.02449	2.5
106.56361	2.1
109.67073	2.2
178.87740	2.0
191.52644	2.0
364.40015	2.2
567.45746	2.3
609.52515	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	636.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51342	1.7
59.01379	13.4
61.86010	1.5
61.98829	8.8
63.94969	1.3
67.01868	2.8
69.03437	3.0
71.01387	10.8
71.15762	1.8
71.16103	1.8
72.99314	2.9
73.02927	4.0
75.00866	4.5
76.14133	1.3
81.03429	1.8
83.01391	2.7
85.02966	8.7
87.00877	2.2
88.98817	2.0
89.02419	2.0
95.01377	4.2
95.04997	1.7
96.96016	7.3
97.02924	3.1
99.00845	2.7
101.02423	3.7
107.01395	15.4
109.02939	1.6
111.00880	5.5
113.02399	6.9
115.33400	1.2
121.02978	1.5
123.00887	12.8
124.01633	1.9
125.02443	75.1
126.02779	13.9
129.01967	1.9
137.02458	3.1
139.00333	5.6
140.01135	4.7
149.02348	1.5
151.00381	10.1
152.00848	1.7
153.01981	1.8
158.59717	1.1
161.02487	2.7
165.01888	1.4
167.03473	2.3
168.00644	7.2
169.01427	100.0
170.01733	20.3
171.10178	1.7
177.02029	2.7
177.03993	3.9
211.02498	2.7
249.06169	2.0
257.17749	2.3
313.05521	2.6
329.05246	4.1
330.05298	2.1
373.26044	3.1
375.27405	1.6
389.25470	2.4
421.11319	16.0
449.61566	1.4
481.06418	3.1
482.06519	4.4
483.18506	6.8
484.12582	2.6
484.19028	15.2
493.47495	1.4
573.12341	46.9
573.21259	2.4
574.13123	7.1
635.19672	9.0
635.29620	4.2
636.20062	84.6
636.28925	3.9
637.19086	14.4
637.32440	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	635.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99305	16.6
61.37563	1.7
61.98820	6.0
68.99562	2.0
70.07075	6.8
73.29370	1.4
76.40864	1.4
84.63605	1.3
88.98804	100.0
89.02435	9.4
98.20548	2.0
112.98588	2.4
125.02425	3.2
169.01428	5.2
225.32184	1.4
258.01566	1.5
286.76852	1.4
294.72119	1.4
338.80051	1.5
342.42111	1.6
397.17715	1.8
635.08966	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	635.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99305	16.6
61.37563	1.7
61.98820	6.0
68.99562	2.0
70.07075	6.8
73.29370	1.4
76.40864	1.4
84.63605	1.3
88.98804	100.0
89.02435	9.4
98.20548	2.0
112.98588	2.4
125.02425	3.2
169.01428	5.2
225.32184	1.4
258.01566	1.5
286.76852	1.4
294.72119	1.4
338.80051	1.5
342.42111	1.6
397.17715	1.8
635.08966	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	635.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
59.01374	3.7
60.99308	15.9
61.98828	6.9
71.01363	1.5
71.53205	1.2
71.58016	0.9
78.36462	1.0
83.08425	0.9
85.02962	1.4
88.00392	2.1
88.98808	100.0
89.02454	13.3
96.96003	1.9
101.02429	1.5
119.62553	0.9
121.33518	1.0
123.00883	1.6
125.01607	1.4
125.02447	9.9
137.02423	2.0
141.24335	0.9
147.08429	1.0
167.03595	1.2
169.01422	10.4
177.01999	1.1
212.89513	1.1
226.79732	1.1
289.07266	1.3
472.42429	1.0
519.84106	1.0
609.49854	1.2
611.29889	1.0
619.65070	1.1
635.30817	5.0
636.31500	1.2
661.09149	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68562	0.5
58.45613	0.5
59.01373	1.8
59.60808	0.5
60.47071	0.6
61.98810	0.6
62.71818	0.6
67.01883	0.8
69.03465	0.7
70.97559	1.1
70.97906	0.7
71.01383	2.8
73.02934	1.0
79.01891	0.8
81.03441	1.0
81.87341	0.5
83.01396	0.9
85.02954	1.2
95.01377	2.1
97.02967	1.2
97.15623	0.7
99.00918	0.6
101.02440	1.8
107.01387	10.5
110.00064	0.7
111.00862	2.6
113.02433	1.3
123.00888	10.9
124.01643	2.0
125.02447	32.8
126.02782	0.9
127.00324	1.3
136.98779	1.7
139.00369	5.6
140.01152	3.8
141.01935	1.2
151.00377	7.8
153.01898	1.0
167.26006	0.5
168.00671	5.4
169.01430	41.8
170.01729	1.8
179.03445	0.6
181.01401	1.0
181.05057	0.8
193.01460	0.6
211.02519	1.1
252.95085	0.5
313.05634	2.0
465.17609	1.0
483.18692	39.5
484.18805	3.7
635.19757	100.0
636.20099	13.4
636.30542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50242	0.5
53.18044	0.4
55.01886	0.7
57.03451	2.9
59.01380	6.6
61.98834	3.5
65.00314	0.5
67.01877	1.7
68.99815	1.0
69.03440	2.2
71.01382	6.3
72.99302	1.5
73.02928	1.8
75.00860	1.4
79.01884	1.3
81.03423	0.8
83.01386	1.8
83.04980	0.5
85.02946	4.4
87.00874	2.4
87.04507	0.8
88.98797	1.0
89.02423	1.6
93.03471	0.6
95.01401	3.3
96.96022	2.8
97.02943	1.8
98.19938	1.4
99.00861	1.2
101.02428	2.8
107.01388	9.7
109.02944	0.7
111.00879	3.5
111.04497	0.6
111.08172	1.0
113.02464	3.5
116.92841	1.0
123.00894	12.7
123.08171	0.7
124.01642	2.1
125.02454	45.7
125.09681	0.9
126.02764	1.8
127.00400	1.2
136.98785	1.9
137.02428	1.6
139.00375	5.1
139.04004	0.7
139.11293	0.7
140.01195	5.4
141.01892	1.0
149.02473	0.6
151.00378	8.8
151.30533	0.5
153.01862	0.8
153.09224	0.8
161.02399	1.2
163.03954	0.9
166.99786	0.9
167.03519	0.7
168.00636	7.8
169.01427	54.2
170.01682	1.5
171.10300	0.9
177.01924	1.2
177.04016	0.6
179.03496	0.7
181.01385	0.6
181.05045	0.8
183.03041	0.6
187.03938	0.4
193.01460	0.6
209.04451	0.7
211.02385	0.8
217.14445	0.7
225.12981	0.5
243.16029	0.6
249.06131	0.8
253.03482	0.8
263.07770	1.3
271.04578	0.7
281.12439	0.9
288.45587	0.6
295.04657	0.6
313.05685	2.8
320.26846	0.6
329.04996	0.6
353.23523	0.6
371.24371	12.0
372.24695	0.9
387.24210	0.5
416.79630	0.6
465.17450	1.6
483.18689	31.9
484.18964	3.1
515.28308	0.5
572.18365	1.5
572.26947	0.7
591.29968	0.7
635.19672	100.0
635.32251	18.2
636.19476	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	635.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86549	0.9
57.03441	1.3
59.01375	8.7
61.98814	3.2
62.42955	0.9
67.01897	1.8
69.03446	2.7
71.01382	5.4
72.99301	1.8
73.02947	7.2
74.46239	0.8
75.00851	1.7
76.21521	0.9
78.52862	0.9
81.03471	1.2
83.01362	2.3
85.02941	4.5
88.91172	0.9
88.98783	1.1
89.02417	2.2
94.01718	1.0
95.01368	3.4
96.96026	6.9
97.02938	2.1
98.19829	2.2
99.00904	1.6
101.02446	2.8
107.01389	9.2
108.02181	1.0
110.00072	1.2
111.00867	6.0
113.02446	4.3
119.03506	1.3
123.00900	12.9
124.01632	3.4
125.02442	60.4
126.02789	2.5
127.00398	2.1
127.02945	1.3
136.98808	2.9
137.02406	1.5
138.03246	1.0
139.00371	6.6
140.01170	7.4
141.01942	1.4
149.02420	1.2
151.00360	9.0
154.99864	1.1
161.02428	5.5
162.02841	1.8
167.03519	2.0
168.00658	12.3
169.01418	67.9
170.01773	7.5
171.01913	3.0
177.01932	3.5
177.04015	4.2
189.01906	1.2
193.01483	1.2
211.02403	1.2
217.01317	1.4
218.01730	1.5
228.99745	1.1
243.03145	1.0
263.07779	1.2
301.07199	1.9
302.07480	3.0
303.07596	1.6
313.05591	2.2
329.05124	2.9
359.06833	1.3
371.24466	1.6
373.25790	1.2
465.11099	1.5
465.17291	1.7
482.11920	1.9
483.12189	3.1
483.18680	48.1
484.18976	3.9
591.29993	1.4
635.19812	100.0
635.30969	8.8
636.19965	14.8
636.29102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.7
59.01381	5.8
60.54121	1.0
61.98827	3.2
65.00310	1.1
67.01881	1.3
69.03445	3.2
69.61193	5.9
71.01366	6.3
72.99298	2.1
73.02939	1.8
75.00861	3.0
75.13109	1.3
79.95854	1.1
83.01382	2.2
85.02945	5.2
87.00869	2.0
87.31872	1.0
89.02412	1.1
93.03465	1.8
93.48815	1.2
95.01369	1.5
96.96001	4.1
97.02921	1.8
99.00909	3.0
101.02427	2.6
107.01390	9.2
108.02206	1.7
109.02973	1.9
110.00087	1.4
111.00868	7.5
111.04512	2.0
113.02431	2.4
119.05014	4.2
123.00871	9.9
124.01671	4.7
125.02444	69.3
126.02802	6.1
126.69859	1.2
127.00329	3.3
127.02915	1.5
129.02002	1.2
136.98770	4.0
137.02441	2.0
139.00375	8.7
140.01155	11.8
145.03009	1.2
151.00352	4.6
152.01180	2.4
155.03455	3.3
161.02443	2.7
163.04033	6.6
167.03479	2.0
168.00642	17.0
169.01425	100.0
170.01747	11.6
171.01865	4.3
173.04510	4.0
173.05908	1.0
177.01901	2.8
177.04071	8.5
178.02296	1.3
185.11763	1.4
189.01929	1.6
191.05536	1.7
193.01379	2.1
198.57648	1.0
211.02475	2.2
217.01302	1.3
218.01535	1.2
261.14966	1.4
301.06726	1.6
305.13846	4.6
313.05716	1.8
319.08105	1.4
325.05496	3.2
329.05173	7.9
471.09140	1.5
481.05838	1.5
483.12299	3.5
483.18665	53.3
484.19095	5.1
489.10434	13.0
490.10706	1.9
526.36047	1.2
574.56232	1.3
591.29895	2.0
635.19733	96.5
635.28772	5.1
636.20148	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	635.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.3
59.01369	3.1
65.03964	1.7
65.41279	1.0
67.01875	1.7
69.03427	1.3
69.45624	2.7
69.46026	6.4
71.01397	1.7
81.03435	1.5
83.01382	4.0
83.05029	1.1
85.02959	1.6
92.65610	1.2
93.03415	1.5
96.96053	1.0
101.02409	1.2
107.01371	2.4
107.05010	7.0
109.02966	9.3
111.00866	1.4
121.02924	2.0
123.00858	3.7
123.04514	1.7
124.01668	2.8
125.02444	84.1
126.02776	2.4
127.35385	1.3
133.02922	3.2
137.02438	31.9
139.00395	3.0
139.04030	2.8
139.74226	1.1
140.01131	1.8
140.41147	1.1
149.02434	1.7
151.00311	2.0
151.02861	2.1
151.04005	29.8
153.01923	1.4
163.03851	1.6
165.01941	6.5
167.03484	5.8
168.00642	5.3
169.01421	29.0
170.01857	1.2
177.01921	32.2
177.42519	1.0
178.02309	2.1
182.02112	2.2
183.02960	3.7
187.07875	1.1
189.05579	2.3
191.03444	2.5
193.01321	2.0
195.02980	13.0
207.06673	6.5
211.02452	18.8
217.05032	2.5
231.06776	1.8
233.04593	2.3
235.06151	2.3
241.03505	1.4
257.04489	2.6
259.06128	2.9
271.04584	21.4
272.04855	1.4
275.05597	5.0
303.05084	24.0
304.05496	2.6
305.06561	1.8
313.05673	4.0
327.65216	1.0
331.06686	2.6
345.08231	32.0
346.08578	1.5
357.08206	12.6
465.06741	3.0
483.07651	7.4
483.11780	7.0
497.09207	11.0
509.09384	16.1
591.13910	1.5
635.12531	100.0
636.12946	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.1
65.59789	0.7
67.01878	1.2
69.03445	2.4
69.52788	1.2
69.53101	5.0
71.01373	4.2
79.01902	1.2
80.55672	0.6
83.01383	1.3
85.02944	2.1
89.02428	3.0
95.01366	2.1
97.02931	2.8
98.20564	1.3
99.00885	0.7
101.02436	2.6
106.91135	0.7
107.01387	8.7
109.02898	0.8
111.00842	0.9
113.02431	2.7
119.03511	1.1
123.00907	7.5
124.01659	2.7
125.02445	80.6
126.02802	2.2
137.02441	2.3
138.03268	0.8
139.00348	2.9
139.04012	16.7
140.01118	2.3
141.01910	0.7
143.03477	2.7
149.02457	0.7
151.00354	4.2
153.01898	1.3
165.01949	1.0
165.05493	0.7
167.03464	2.4
168.00638	6.6
169.01414	100.0
169.05051	24.1
170.01729	2.4
170.05400	0.7
177.01944	1.0
179.03357	0.8
179.05544	0.8
181.01389	1.1
183.02913	0.8
193.01398	2.4
193.04962	1.0
211.02484	7.2
235.02312	0.8
241.03621	1.0
253.03642	1.1
254.42020	0.8
271.04608	3.5
295.04514	3.7
313.02200	1.5
313.05630	20.1
313.09329	1.1
314.06131	1.0
316.02405	0.9
317.02661	1.3
318.02838	1.7
319.03168	1.3
331.10379	1.7
397.73422	0.7
405.04636	0.9
423.05704	1.5
437.86600	0.9
465.06525	16.5
466.07104	1.7
469.29697	0.7
483.07919	10.4
484.08176	2.1
591.09491	1.1
635.11011	61.4
636.11560	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	635.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58460	1.0
56.30728	1.1
57.03451	2.9
59.01382	3.0
65.03961	1.4
66.85695	1.0
67.01933	1.5
69.03481	2.0
69.86346	1.1
71.01378	2.4
71.52763	1.7
71.53119	1.7
71.64909	1.2
81.03485	1.6
83.01389	3.7
85.02951	1.6
93.03476	2.4
95.01428	1.8
96.96037	2.1
104.54243	1.2
107.01392	6.1
107.05031	3.5
109.02949	8.2
111.00917	1.7
113.02452	1.9
121.02985	1.6
123.00868	5.3
123.04622	1.0
124.01678	2.6
125.02446	100.0
126.02830	2.3
127.03962	1.0
133.02991	3.7
137.02449	26.8
139.00348	2.9
139.04022	4.0
140.01193	3.3
149.02467	2.4
151.00374	4.2
151.04001	22.2
151.05121	1.8
163.03947	1.5
165.01950	5.9
167.03490	6.0
168.00627	7.4
168.86456	1.1
169.01433	62.2
170.01781	3.0
177.01936	32.1
181.01503	2.2
182.02200	2.6
183.03000	3.9
185.06151	1.1
189.05605	1.5
191.03604	2.8
193.01485	3.3
195.03023	8.4
207.06624	2.5
211.02484	21.3
212.02742	1.2
217.05125	2.3
219.02870	1.2
235.06100	1.2
236.92818	1.2
257.04462	2.0
259.06226	1.9
261.04239	1.3
271.04581	22.6
275.05743	3.0
303.05063	22.2
313.05573	8.0
331.06778	2.8
345.08252	23.6
346.08496	1.4
357.08261	10.7
423.05850	1.5
465.06622	14.8
483.06967	27.4
484.08392	2.0
497.09308	9.5
509.09436	16.5
510.09717	2.0
591.10358	4.3
635.12531	77.5
636.13000	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	635.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27624	0.6
55.79428	0.7
58.29711	0.6
58.39420	0.6
59.01372	2.5
67.01878	1.4
69.03458	2.7
69.37557	4.5
71.01377	3.1
72.99302	0.8
74.46851	0.6
79.01891	1.2
81.03447	0.7
81.76099	0.7
83.01398	1.3
85.02962	2.5
87.00887	0.7
89.56205	0.6
91.69502	0.6
91.93047	0.7
95.01423	3.2
96.96010	1.0
97.02949	1.9
99.00912	0.7
101.02438	1.6
101.32954	0.6
107.01402	11.4
111.00873	3.8
113.02467	2.5
113.11872	0.7
121.02980	0.8
123.00901	11.9
124.01672	5.3
124.25576	0.7
125.02451	66.9
126.02811	1.5
127.00394	1.9
135.04524	0.8
136.98805	1.8
137.02449	1.3
139.00388	12.2
139.03999	2.0
140.01152	9.0
141.01923	1.4
141.28627	0.7
149.02359	0.8
151.00386	7.3
153.01949	3.5
154.02750	5.5
154.99864	1.0
155.03453	2.2
163.03888	0.6
166.99872	3.4
167.03528	0.7
168.00632	11.0
169.01427	69.9
169.05058	2.3
170.01782	2.2
176.94885	0.6
177.01920	1.6
179.03561	1.6
181.01462	0.8
183.03009	5.8
191.08629	0.7
193.01404	1.5
211.02446	1.2
225.04065	0.6
237.04077	2.3
257.67203	0.7
287.14999	1.0
295.04581	1.1
297.06116	1.3
305.06369	0.7
313.05652	8.1
314.05975	0.7
327.07092	1.5
354.19965	0.7
465.06744	1.5
473.16772	1.3
483.11639	17.3
484.12027	1.5
635.12543	100.0
636.12976	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	635.089
Annotation	Gallotannin
Peak:m/z	Relative Intensity
57.03466	1.2
59.01398	3.5
65.00340	1.0
69.03479	3.0
69.35273	0.6
69.35600	6.6
71.01400	3.4
72.99314	0.9
73.02965	0.8
75.00878	1.0
79.01909	2.0
81.03450	1.3
83.01423	1.9
85.02977	2.1
87.00877	1.5
89.02478	1.0
95.01385	5.3
96.96019	3.1
97.02972	3.2
99.00883	1.6
101.02473	1.8
107.01392	12.4
107.02113	0.9
109.02951	1.6
111.00905	4.0
113.02455	3.4
114.93488	0.8
121.02960	1.3
122.08608	0.8
123.00880	16.5
124.01666	17.8
125.02448	93.8
126.02795	2.7
127.00429	1.2
127.37857	0.8
136.98811	1.8
137.02452	2.7
139.00365	6.8
139.04041	1.0
140.01187	5.3
141.01964	0.9
143.03539	0.8
149.02414	1.0
149.99585	22.1
151.00368	13.3
153.01996	1.1
154.02760	2.1
164.16924	0.8
165.01927	1.4
166.99873	3.0
167.03419	2.4
168.00642	43.9
169.01419	100.0
170.01781	3.4
177.01939	2.8
179.03372	0.8
181.01433	1.3
183.02994	1.3
183.13753	0.8
191.03523	1.0
193.01393	1.7
193.98532	2.1
194.99332	5.4
211.02496	3.0
223.02287	1.0
237.03978	1.9
253.03568	1.2
271.04517	0.9
295.04651	4.5
297.05984	1.6
313.05652	20.3
314.06006	0.8
321.03583	0.9
331.06555	3.9
439.08734	5.1
465.06580	6.2
473.16449	1.1
483.07388	47.8
484.07623	4.5
552.03552	0.9
591.09674	12.0
617.07446	1.7
635.08850	96.1
636.08990	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	635.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14713	1.0
54.00531	1.1
55.80470	1.2
59.01362	2.4
63.63053	1.0
69.03442	2.4
69.20048	11.6
71.01351	4.7
73.02897	1.0
73.93374	1.1
78.37650	1.1
79.01829	1.4
81.03446	1.9
83.01373	1.1
85.02911	2.3
87.00835	1.2
93.10516	1.2
95.01344	1.8
96.95970	2.0
97.02920	2.0
98.20637	2.8
101.02413	3.2
107.01389	9.8
111.00797	3.6
113.02389	1.8
120.39124	0.9
123.00893	11.1
124.01582	4.5
125.02444	81.3
126.02740	3.0
136.98750	2.5
139.00369	5.7
139.03964	1.5
140.01065	4.8
143.03316	1.1
149.02376	1.3
151.00381	7.2
153.01848	1.7
154.02646	1.5
165.01884	2.2
166.99864	1.2
167.03328	2.1
168.00656	11.6
169.01419	100.0
170.01627	4.2
172.93546	1.3
177.01897	2.2
183.02887	2.3
191.03267	1.3
193.01224	3.3
193.43289	1.1
195.06534	1.6
211.02400	11.1
237.03918	2.2
253.03149	1.0
271.04630	6.4
295.04379	2.4
313.05676	18.1
313.66266	1.1
314.05704	1.8
321.05991	1.4
331.06323	3.4
365.43295	1.1
367.45563	1.2
423.05377	1.5
465.06641	13.2
483.06436	14.5
512.24579	1.2
591.09369	2.4
635.09064	66.4
636.09192	9.7
636.39819	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0889
Annotation	1-O,2-O,6-O-Trigalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.21791	0.8
59.01345	2.7
69.03424	1.5
69.41485	6.1
71.01344	3.2
72.99274	0.8
79.01872	0.9
81.03442	0.9
83.01358	1.4
85.02904	2.4
95.01361	1.9
96.95985	1.7
97.02943	1.9
99.00783	0.8
101.02391	2.8
107.01382	11.3
111.00826	2.7
113.02402	1.9
115.96093	0.9
118.26400	0.9
121.57221	0.9
123.00887	7.7
124.01582	3.8
125.02444	83.6
126.02682	3.0
127.00294	0.9
136.98694	1.5
137.02402	1.5
139.00349	4.9
139.03920	0.9
140.01213	4.9
141.01826	1.3
143.03358	1.0
149.02376	1.1
149.99495	1.3
151.00371	7.3
151.03870	1.2
153.01826	1.3
155.03398	1.3
163.03853	0.9
165.01825	1.7
166.99744	2.6
167.03406	2.4
168.00653	11.2
169.01422	100.0
170.01588	1.9
177.01907	1.9
179.03336	1.0
179.05484	1.3
191.03415	1.3
193.01277	3.8
195.06610	0.9
211.02507	9.2
237.03886	1.4
241.03363	1.5
271.04614	4.5
295.04422	1.8
297.05917	1.3
313.02286	1.2
313.05618	21.7
314.05740	1.6
326.04260	0.9
331.06482	3.6
405.04462	1.4
465.00702	1.3
465.06577	13.3
483.06656	14.4
484.07120	1.1
591.09406	2.3
635.08893	68.9
636.09265	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	633.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
64.99127	1.8
71.01386	2.8
72.76710	1.6
78.76279	1.5
89.02434	3.1
98.97388	1.9
103.44149	1.5
113.02441	2.0
229.03688	1.6
371.92358	1.9
452.39020	1.8
482.81680	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0883
Annotation	Gallotannin
Peak:m/z	Relative Intensity
52.61042	0.5
59.01377	1.7
61.49060	0.6
65.00334	0.6
67.01901	0.6
69.03461	2.5
70.31583	1.9
71.01386	2.9
72.41032	0.5
73.02942	0.6
79.01893	0.9
81.03470	1.3
85.02955	1.6
89.02443	1.4
94.38502	0.5
94.69526	0.5
95.01401	1.8
97.02956	2.3
101.02448	2.5
107.01389	9.7
108.97870	0.5
109.02969	0.7
111.00883	2.4
113.02450	1.5
119.03519	0.7
121.02900	0.6
123.00891	6.6
124.01691	2.3
125.02445	87.0
126.02783	2.7
136.98811	0.8
137.02460	1.7
139.00360	3.0
139.04021	4.0
140.01166	2.6
141.01945	1.0
143.03476	3.3
151.00345	4.7
151.03966	0.6
153.01944	0.9
163.04074	0.8
165.01884	1.2
166.99841	1.1
167.03493	0.6
168.00645	5.3
169.01424	100.0
169.05025	4.9
170.01775	3.1
177.01822	0.5
181.01410	1.2
182.01929	0.5
191.03496	0.7
193.01474	3.0
211.02486	7.4
212.85042	0.6
223.02449	0.6
235.02484	0.6
237.04124	0.9
241.03619	1.3
253.03462	1.3
271.04559	4.4
295.04636	2.6
313.05655	21.9
313.09326	1.2
314.05817	1.2
405.04138	0.6
423.05545	2.2
465.06723	25.6
466.06870	1.8
483.07443	14.7
484.07977	1.3
589.66455	0.6
635.08789	66.3
636.09113	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	633.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
60.99306	17.3
61.98832	3.6
71.01396	1.0
71.11694	1.3
77.33984	0.7
88.00413	1.6
88.98805	100.0
89.02444	10.2
125.02481	4.4
137.02496	0.7
155.31334	0.8
167.03429	0.9
169.01407	4.1
177.01901	1.0
205.58987	0.7
224.52031	0.8
275.14627	0.8
313.05811	0.8
317.03061	1.2
372.68121	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.0
57.03450	6.2
58.00579	1.4
59.01104	1.6
59.01380	23.0
61.98825	7.3
62.63871	1.0
68.99812	1.7
69.03461	2.6
71.01004	1.8
71.01382	24.2
72.99300	5.8
73.02954	8.9
75.00874	27.5
77.17190	0.9
81.03466	1.0
83.01402	6.8
85.02957	22.1
87.00868	7.4
89.02436	4.3
93.03432	1.7
95.01383	3.1
96.96016	3.8
97.02924	2.4
99.00901	9.3
101.02460	5.3
103.00288	1.1
107.01406	2.4
109.02939	1.7
111.00843	1.6
113.02450	25.4
115.00348	3.1
117.01929	2.4
121.02979	1.5
123.00882	3.4
124.01654	1.6
125.02452	24.9
126.02792	2.4
129.01956	1.7
131.03488	5.3
137.02417	3.5
139.03949	1.7
143.90053	1.0
149.02477	1.1
151.00348	4.4
152.00752	1.1
163.00308	1.2
165.01930	1.4
167.03474	11.4
169.01428	14.7
170.01813	1.6
173.04538	6.9
175.02434	2.5
175.03870	1.2
177.01944	6.9
178.99931	1.2
191.03519	1.5
198.68097	1.1
205.01616	1.1
211.02362	1.9
243.02817	1.5
270.43362	1.0
271.02246	1.7
272.02789	1.3
273.02975	1.6
288.02158	1.2
303.05161	1.4
305.06705	3.0
313.05658	2.1
316.02173	4.3
317.02716	6.5
318.02988	6.4
319.03473	2.0
423.05777	2.0
435.86227	1.1
465.06958	1.8
479.22867	2.7
479.77560	1.2
481.08722	5.3
517.18878	3.2
589.24988	100.0
590.25507	13.8
633.10114	9.8
633.26978	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	633.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	3.0
59.01375	14.5
69.03436	2.1
70.85824	2.6
71.01382	17.1
72.99308	5.7
73.02939	9.0
75.00874	17.4
81.03451	2.6
83.01393	5.0
84.13474	1.3
85.02950	17.2
87.00875	4.3
89.02430	1.7
95.01407	2.6
97.02975	2.8
99.00876	5.6
101.02448	4.5
103.00401	1.9
105.03474	2.3
107.01416	1.6
108.02133	2.6
109.02953	2.8
113.02449	16.8
123.00876	1.6
123.04587	1.4
125.02444	67.6
131.03523	2.6
137.02477	1.3
139.04039	3.4
161.02448	22.0
162.02838	1.4
167.03484	3.0
169.01424	100.0
170.01762	3.8
173.04535	3.1
175.02559	3.2
175.04004	2.1
177.01894	12.2
189.01903	7.4
191.03410	1.4
193.01512	3.2
193.03537	7.7
217.01407	10.1
235.04573	6.3
241.04788	2.2
243.03033	1.6
257.04471	1.6
259.06116	4.0
285.04614	1.5
301.07175	18.1
305.06500	1.7
341.06625	7.9
357.06009	5.1
456.30417	1.3
463.10492	3.0
481.11414	17.4
482.11804	3.1
507.09515	2.4
589.24969	68.1
590.25372	9.9
633.18451	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	633.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03440	3.8
59.01377	17.9
67.20102	1.0
68.99809	1.4
69.03460	3.1
69.34094	9.9
71.01379	25.8
72.99306	6.6
73.02934	10.5
75.00872	21.4
78.63233	1.1
81.03429	1.6
83.01394	4.6
85.02951	22.8
87.00870	7.1
89.02439	5.1
95.01399	3.2
95.05005	1.6
97.02945	4.0
99.00884	8.8
101.02410	6.2
103.00372	1.7
105.03459	3.5
108.02179	2.8
109.02943	5.5
111.04501	2.4
113.02448	25.2
115.00375	2.6
117.01969	1.6
123.00867	1.3
123.04482	1.0
125.02446	65.1
126.02761	1.6
131.03496	5.2
133.02975	1.6
137.02411	1.9
139.03966	4.3
149.02451	1.5
161.02438	36.7
162.02733	2.6
167.03468	1.9
169.01419	93.7
170.01790	2.8
173.04568	7.5
175.02458	5.2
175.03888	1.5
177.01927	19.6
189.01926	9.9
191.05688	1.2
193.01431	3.4
193.03502	12.0
216.00664	1.5
217.01405	18.6
231.03119	1.4
235.04477	7.8
257.04575	2.3
258.05264	3.0
259.06009	4.0
287.05426	1.2
297.04092	2.1
301.07153	30.5
302.07443	2.9
305.06464	1.8
313.07239	1.9
321.04099	1.9
322.04178	1.3
341.06635	9.5
357.06049	8.1
379.08737	3.0
397.09891	1.9
454.52618	1.2
463.10251	9.3
481.11346	27.0
482.11713	4.0
507.09009	1.7
522.93323	1.2
547.23828	1.4
589.24976	100.0
590.25366	12.4
633.18665	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.125
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	1.4
69.35162	4.9
71.01376	0.7
77.98304	0.7
81.03461	1.9
83.01381	1.3
93.94378	0.6
95.01410	1.4
95.05044	1.4
97.02939	1.2
105.03458	3.2
107.01403	3.2
108.02152	3.4
109.02965	3.6
110.23257	0.6
111.04494	1.0
111.38113	0.7
123.00891	2.5
123.04524	10.8
124.01676	1.4
125.02445	69.3
126.02773	2.0
133.02979	1.8
137.02435	1.5
139.00345	1.0
139.03995	2.8
147.04567	0.7
147.84294	0.6
151.00386	2.0
161.02437	28.2
162.02777	1.7
162.28958	0.6
167.03484	22.3
168.00665	1.1
168.03886	0.7
169.01418	100.0
170.01781	2.9
175.03981	1.2
177.01929	15.5
178.02448	0.7
189.01927	9.4
191.03500	1.6
193.01454	3.1
201.02007	0.8
203.03539	1.2
211.02425	1.3
216.00594	1.6
217.01402	14.3
219.02995	0.9
221.04562	0.7
231.02962	1.7
233.04425	1.2
257.04584	1.8
258.05377	2.0
259.06061	2.5
271.05869	0.7
283.02435	0.7
284.03268	1.1
285.03918	0.8
286.04761	1.6
297.03955	1.1
298.04874	0.8
301.07162	26.6
302.07602	2.1
305.06689	0.6
313.05386	5.5
321.03958	2.8
326.04141	1.4
339.04889	1.6
341.06668	8.7
342.07117	0.7
347.50403	0.6
355.08154	1.0
357.06027	5.0
371.07687	1.8
388.61948	0.6
404.65326	0.6
419.10025	0.6
445.09399	1.2
446.96594	0.6
463.10205	8.7
465.06512	3.8
481.11304	19.9
482.11526	2.6
507.09183	2.8
544.57422	0.6
558.17615	0.6
633.10895	29.1
634.11115	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	633.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.1
61.98832	1.7
67.01886	0.6
69.03450	1.8
71.01377	0.8
72.40398	0.4
79.01891	0.7
79.95811	0.4
81.03457	1.3
83.01402	0.9
85.02935	0.9
89.03943	0.5
95.01374	1.0
95.05035	1.6
96.96005	7.1
96.96968	0.7
97.02952	2.1
101.02451	0.7
105.03459	4.0
107.01411	1.1
108.02193	2.7
109.02968	5.8
111.04549	1.2
111.76926	0.4
113.02444	1.1
119.23077	0.4
121.02951	0.9
122.50288	0.4
123.00893	1.7
123.04539	1.2
124.01697	1.2
125.02444	64.9
126.02778	1.7
131.58398	0.5
133.02985	2.4
137.02429	2.7
139.03989	3.4
140.01210	0.5
145.02950	0.6
149.02455	1.0
151.00421	0.8
151.03966	0.5
160.01604	0.7
161.02440	36.4
162.02777	1.8
163.03912	0.5
165.01955	0.7
165.07108	0.4
166.02780	0.6
166.99820	0.4
167.03459	2.6
168.00626	1.3
169.01419	100.0
170.01738	2.5
172.05304	0.4
175.04027	1.5
177.01921	20.9
178.02307	1.0
179.03558	0.6
184.24461	0.4
189.01907	11.8
190.02499	0.6
191.03497	1.0
193.01410	5.3
198.06767	0.5
201.02031	0.7
203.03531	1.1
204.04024	0.4
211.02489	1.2
213.05463	0.5
214.06436	0.5
216.00635	2.0
216.04129	0.7
217.01393	15.9
218.01750	1.2
219.02914	1.5
231.02963	2.8
241.05008	1.5
243.02995	1.6
244.03680	0.9
251.03410	0.5
256.03735	0.6
257.04501	1.7
257.08047	0.5
258.05267	2.2
259.06113	3.3
280.03680	0.4
283.02707	0.5
284.03296	1.2
285.04031	2.6
286.04703	1.3
287.05365	0.9
297.04047	1.1
299.05579	0.8
301.07153	30.7
302.07501	2.3
305.06714	0.9
313.07214	2.6
317.02454	0.4
321.04108	2.6
339.05115	1.3
341.06610	10.3
342.06842	0.7
357.06149	7.1
371.07703	1.0
426.11386	0.5
445.08957	2.0
462.98865	0.4
463.10339	10.3
464.10483	0.8
473.04706	0.4
481.11401	25.3
482.11649	3.1
507.09155	3.7
553.16064	0.5
569.26154	0.8
570.26349	1.4
577.55499	0.5
633.11523	1.2
633.25891	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80450	0.6
57.03452	1.7
59.01376	5.7
61.98827	1.1
69.03466	2.1
71.01377	5.9
72.99309	0.8
73.02957	1.4
75.00880	2.2
79.01901	0.8
81.03470	4.5
83.01398	4.4
85.02958	3.1
87.00854	1.5
88.98846	0.9
89.02454	2.1
95.01394	2.4
96.96010	6.9
97.02965	2.7
98.20606	1.2
99.00913	1.5
99.04520	0.8
101.02452	2.6
107.01389	8.7
109.02953	1.1
111.00888	2.2
111.04509	0.8
112.47077	0.6
113.02460	3.0
115.06309	0.6
121.02965	1.2
123.00893	6.7
123.04530	17.8
123.68364	0.7
124.01673	3.0
125.02452	86.4
126.02809	1.9
135.03040	0.7
136.98854	0.6
137.02432	3.4
139.00381	2.8
139.04007	1.3
140.01152	2.0
143.03488	2.1
149.02481	1.3
151.00372	5.2
154.29814	0.7
161.02406	1.2
165.01907	1.7
167.03502	41.7
168.00647	3.4
168.03795	1.6
169.01430	94.2
170.01791	2.7
177.01926	2.4
178.99838	0.9
179.03535	1.9
191.03502	1.4
193.01428	2.0
193.05090	0.6
207.02924	0.8
209.04582	1.0
211.02455	3.6
221.04556	1.0
233.04675	0.9
237.04012	0.9
241.03587	1.0
243.02933	0.8
245.56967	0.6
253.03441	1.0
271.04636	1.8
295.04547	3.2
305.06793	1.5
311.73935	0.6
313.05643	25.1
314.06088	1.1
316.02206	0.9
317.02826	1.0
319.08231	0.8
325.55853	0.6
345.06113	2.3
423.05777	0.9
439.08948	0.7
463.09082	0.9
465.06699	12.9
466.06854	0.9
479.22791	0.8
481.09683	13.1
536.53888	0.8
589.25189	3.6
591.09937	1.2
633.10919	100.0
633.27777	3.2
634.11218	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	633.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13013	2.5
57.03439	10.8
59.01389	5.5
63.02399	4.7
65.00337	4.8
71.01380	4.8
75.92524	2.3
83.01372	4.8
85.02949	2.8
96.96019	5.1
107.01385	16.6
109.02940	6.0
113.02485	2.8
115.00389	4.2
121.02944	4.2
123.00886	17.2
124.01647	7.6
125.02453	100.0
126.02748	3.1
137.02444	18.0
139.00397	2.8
139.04037	9.1
147.00862	3.6
149.02426	7.9
150.03227	3.5
151.00400	32.7
152.01134	7.9
153.01944	9.1
155.03484	3.8
159.04471	4.8
163.00360	7.9
164.01073	3.5
165.01933	29.5
166.02737	3.8
167.03488	25.8
168.00667	3.7
169.01433	60.1
173.02440	2.4
175.00331	7.0
175.02513	6.0
175.03906	4.5
176.01205	3.5
177.01898	16.9
178.99861	30.8
187.03978	6.4
189.01874	3.1
190.02718	5.0
191.03500	19.5
192.00629	3.4
193.01408	89.0
205.04982	7.8
209.04456	4.5
211.02429	15.4
211.04196	4.1
213.05617	2.9
215.03473	9.0
217.01280	2.9
227.03551	6.0
229.05040	3.9
229.52402	2.5
231.02921	3.0
232.03754	6.6
233.04518	27.3
235.02452	2.7
239.03500	3.6
243.02849	2.4
248.96951	2.5
255.03012	11.7
256.03577	6.4
257.04532	14.0
271.04562	22.0
274.04800	3.4
275.05588	32.9
283.02496	71.6
284.02884	3.2
300.02731	9.5
301.00198	4.1
301.03491	41.4
313.05667	19.2
319.04456	7.7
327.07544	2.9
331.06644	6.9
353.08652	5.1
355.06604	5.9
395.09897	4.2
419.09732	6.8
437.10645	15.3
463.08850	48.4
464.09180	5.3
475.31314	2.7
479.08295	7.3
481.10178	20.6
505.09766	13.1
507.07767	36.6
508.08160	2.9
521.80347	2.7
547.10760	4.1
571.10657	11.7
589.11987	9.4
615.09894	67.9
616.10010	7.5
633.10870	58.7
633.20953	4.7
634.11328	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	633.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	12.2
59.01378	4.8
61.98837	3.4
65.00323	5.2
66.53230	2.2
69.48807	7.2
69.49217	12.1
71.01377	3.9
81.03456	3.7
83.01395	7.2
86.67860	2.4
87.00854	2.7
87.42538	2.6
95.01385	3.8
96.95989	3.1
99.77992	2.2
103.21113	2.5
107.01388	15.6
109.02946	7.2
111.57431	2.7
115.00327	2.3
121.02958	2.9
123.00875	16.9
124.01667	8.0
125.02446	100.0
126.02795	2.9
135.04518	2.7
137.02452	17.5
139.04010	10.1
147.00874	3.8
149.02441	11.3
151.00372	29.4
151.03954	3.9
152.01118	7.8
153.01920	9.6
155.03465	3.7
159.04529	4.8
161.02448	3.5
163.00357	9.2
163.03995	4.0
164.01167	4.0
165.01923	28.0
166.02393	3.1
166.99919	2.6
167.03487	30.1
168.00578	9.3
169.01428	67.3
175.00336	8.0
175.02486	3.9
176.01146	6.1
177.00565	2.7
177.01863	15.3
178.99879	27.9
183.04576	4.0
187.04016	4.6
190.02580	6.1
191.03526	21.8
192.00601	4.9
193.01404	87.1
194.01892	2.7
201.05585	2.5
205.05049	7.8
211.02390	16.4
211.04102	2.3
214.02632	3.9
215.03418	11.4
217.01357	3.8
227.03563	4.8
229.05075	3.2
231.03036	4.4
232.03671	5.8
233.04565	23.4
234.01746	2.4
235.02469	5.4
255.03027	9.7
256.03854	5.7
257.04666	11.7
271.04526	26.9
274.04776	2.9
275.05603	25.7
283.02472	74.1
284.02832	5.6
300.02731	10.8
301.00104	5.7
301.03491	42.6
313.05643	20.0
319.04660	5.5
331.06683	11.1
353.08594	3.2
355.06638	9.5
393.00961	2.7
419.09979	7.8
437.10663	16.5
463.08795	44.6
464.09164	6.4
465.06992	3.4
479.08185	5.2
481.10193	20.8
505.09799	16.2
507.07864	36.5
571.11456	11.9
589.12024	12.9
615.09839	60.2
616.10089	7.8
633.10797	58.4
633.20947	3.3
634.11566	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	633.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.3
59.01369	9.2
63.73393	1.4
69.03415	1.5
71.01376	4.5
72.99303	1.6
73.71304	1.2
75.00865	2.0
79.01859	1.4
81.03450	3.2
83.01372	3.5
85.02924	3.8
87.00874	1.9
89.02425	2.3
96.96023	8.3
97.02966	2.8
101.02427	3.0
107.01389	8.9
109.02962	1.3
111.00853	2.1
113.02415	3.6
115.00365	1.3
121.02951	2.0
123.00879	8.1
123.04526	17.8
124.01628	4.9
125.02444	97.0
126.02750	4.0
132.74695	1.3
135.02925	1.8
137.02469	3.0
139.00339	2.6
139.04030	1.5
140.01083	1.6
143.03476	3.0
149.02409	2.1
151.00352	7.6
161.02412	1.8
165.01889	4.3
167.03477	39.6
168.00597	5.3
168.03789	1.6
169.01421	94.6
170.01715	3.5
177.01923	8.2
178.99847	1.5
179.03516	2.8
179.05484	1.3
180.04143	2.0
191.03355	1.3
193.01363	2.8
195.06654	2.4
209.00882	1.4
211.02448	5.4
225.07669	2.6
241.03462	1.7
271.04504	3.6
282.12320	1.3
295.04364	2.4
305.06512	4.2
313.05679	25.1
314.05917	3.1
316.02362	2.1
317.02750	2.3
319.04291	1.9
341.10803	1.7
463.08658	1.9
464.13797	3.0
464.64200	2.1
465.06656	17.8
466.06888	1.8
479.22467	3.2
481.09540	10.0
481.14813	1.2
487.76920	1.6
557.16351	1.4
589.24768	2.5
591.09589	3.2
631.23840	2.4
633.10815	100.0
634.11011	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	633.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03773	0.4
55.01865	0.6
57.03442	1.5
59.01379	2.2
59.28872	0.4
61.98822	1.1
65.00327	0.9
67.01890	1.2
67.88370	0.4
69.03460	1.4
71.01379	1.7
71.32797	0.6
72.99316	0.7
79.01892	1.1
81.03465	5.4
83.01402	3.2
85.02928	0.7
93.02698	0.6
95.01399	1.9
95.05033	1.6
96.96009	1.1
97.02954	2.9
101.02450	2.0
105.03468	1.8
107.01389	6.1
108.02200	2.0
109.02966	2.8
111.00874	1.6
111.04496	1.1
113.02458	1.0
121.02937	0.6
121.57715	0.5
123.00895	4.9
123.04527	28.7
124.01704	1.4
124.04849	1.1
125.02448	85.7
126.02791	2.5
133.02939	1.0
137.02437	1.6
138.03186	0.6
139.00354	1.9
139.04031	2.0
140.01167	1.6
141.01875	0.6
143.03500	1.6
145.02911	0.7
148.59753	0.5
149.02470	0.8
151.00385	3.7
153.01991	0.7
157.05928	0.5
161.02444	15.2
165.01970	1.0
165.05687	0.5
167.03497	58.5
168.00592	2.9
168.03825	2.0
169.01428	100.0
170.01772	2.1
170.53568	0.5
175.04036	0.8
177.01939	8.7
179.03519	0.9
181.01418	0.9
181.04980	0.5
189.01901	4.1
191.03479	2.1
193.01355	3.0
193.05070	0.8
203.03516	0.7
205.01517	0.5
206.02107	0.6
209.04634	0.9
211.02477	2.3
216.00664	1.1
216.04274	0.6
217.01396	8.2
231.02950	1.0
233.04500	1.1
251.05469	0.6
253.03592	0.8
257.04456	0.8
259.06149	1.7
285.04132	0.8
295.04538	2.1
297.04065	0.8
301.07184	13.9
302.07550	0.9
305.06598	0.8
313.05585	15.6
314.05981	0.8
316.02933	0.6
321.04001	1.2
339.05261	0.8
341.06570	4.6
357.06244	2.6
421.06296	0.6
423.05832	0.7
426.27921	0.6
427.01395	0.5
463.10104	4.7
464.10162	0.7
465.06714	7.4
466.07001	0.9
469.98010	0.5
481.11133	16.4
482.11377	1.2
507.09082	1.4
551.13953	0.6
571.18555	0.7
632.29565	0.5
633.10944	88.9
634.11224	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	633.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79603	0.5
57.03455	1.3
59.01382	1.8
61.98821	0.6
65.00333	0.9
67.01891	0.9
68.99837	0.5
69.03450	2.4
69.40910	2.3
69.41326	1.0
71.01382	2.1
73.02991	0.7
75.00909	0.6
76.94020	0.4
79.01907	0.7
81.03468	4.3
83.01399	2.7
85.02936	1.2
87.00900	0.7
95.01391	1.9
95.05054	1.6
96.96013	1.5
97.02962	2.4
98.19883	0.9
101.02449	1.4
105.03472	1.6
107.01398	6.5
108.02197	1.9
109.02937	3.3
111.00887	0.9
111.04557	0.7
113.02477	1.8
119.46497	0.5
121.02966	0.7
123.00896	4.2
123.04526	25.1
124.01659	1.5
125.02448	80.2
126.02789	1.6
133.02968	1.3
135.02991	0.5
137.02461	1.9
138.03218	0.5
139.00374	1.7
139.03993	2.4
140.01134	1.3
142.25148	0.5
143.03523	0.9
145.02946	0.7
149.02425	1.0
151.00394	3.4
161.02448	18.2
165.01938	1.5
166.02626	0.8
167.03496	54.8
168.00658	2.7
168.03883	1.2
169.01427	100.0
170.01791	3.4
175.04053	1.1
177.01926	10.9
179.03490	1.1
181.01474	0.6
189.01933	6.1
190.02646	0.6
191.03514	1.6
193.01407	2.6
193.05019	0.6
203.03516	1.1
205.04932	0.4
207.02972	0.6
209.04610	1.4
211.02489	2.0
216.00720	0.9
216.99419	0.7
217.01404	7.3
219.02983	1.1
221.04565	0.7
231.02968	1.4
233.04555	1.3
237.04216	0.8
243.02820	0.8
257.04541	1.4
258.05475	0.6
259.06097	2.0
269.04361	0.6
284.79691	0.5
285.04007	0.6
295.04562	2.1
297.03827	0.9
301.07147	14.5
302.07516	1.3
305.06808	0.7
313.05576	13.3
314.06155	0.7
316.49969	0.5
318.03519	0.5
321.03961	1.3
339.05045	0.8
341.06689	4.7
357.06055	3.0
369.21634	0.6
445.09418	0.9
456.46381	0.5
463.10312	5.1
465.06821	7.3
466.06595	0.7
481.11133	15.3
482.11560	1.7
507.09091	1.9
571.18011	1.0
591.09735	0.8
633.10938	80.0
634.11322	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	631.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84343	3.0
57.03442	4.3
59.01370	21.5
61.98829	21.0
63.02384	3.7
65.00288	3.3
69.16193	19.5
69.16621	12.1
71.01391	14.2
72.99310	3.6
73.02956	4.6
82.90714	3.2
83.01375	8.9
85.02948	9.0
87.00864	3.7
88.98796	6.6
89.02460	3.4
91.58022	2.9
95.01351	5.3
96.95998	13.5
97.02967	3.9
99.53502	2.8
101.02433	9.6
105.05821	3.8
107.01383	13.1
109.02913	9.5
110.06089	3.7
111.00848	5.3
113.02435	5.0
115.03993	11.1
120.08195	35.4
121.05298	4.6
122.06104	49.2
123.00876	8.8
124.01665	4.2
125.02437	39.4
126.02814	3.6
137.02423	18.5
144.04532	6.5
151.00368	44.9
161.02428	4.6
162.05479	3.2
165.01945	3.2
167.03479	5.5
169.01418	32.4
170.01694	4.9
171.10184	3.8
174.05444	3.4
178.99846	32.4
185.11830	7.5
192.00691	3.1
203.05815	6.1
236.09538	4.0
237.10355	6.7
243.02875	4.0
251.11949	19.5
263.11838	5.8
264.08978	5.9
265.13391	6.6
268.08508	4.6
271.02319	21.3
277.09827	26.2
278.10590	10.0
279.11398	5.5
287.02026	11.6
291.11380	23.4
292.12094	24.1
293.12897	20.8
308.44089	3.0
313.05688	5.7
316.02216	49.1
317.02951	100.0
318.03369	10.0
324.11105	9.1
335.10544	7.0
336.11172	7.8
337.11905	6.4
353.23032	4.1
360.17181	5.5
371.24374	53.6
372.17163	6.5
390.18097	4.9
402.17957	5.4
414.18246	14.1
415.18787	4.7
418.18124	5.8
432.19241	9.8
436.18381	3.3
459.17776	4.6
476.18295	25.0
477.18826	13.1
479.08392	16.1
490.19540	7.6
508.14078	5.5
508.20938	58.8
509.20670	6.6
537.25183	8.0
542.39764	3.7
555.26312	19.2
556.25378	3.2
568.24658	6.2
569.25250	10.1
581.23975	13.5
595.15802	3.2
599.25110	65.8
599.34271	2.4
600.24945	9.2
613.26569	7.9
631.09485	41.2
631.26208	29.3
631.33746	26.5
632.10144	7.4
632.34247	5.8
640.29651	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	631.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49499	3.3
59.01389	3.6
61.98818	8.2
71.55300	6.0
73.02957	4.6
73.78593	2.9
75.00867	12.0
88.23419	3.2
99.00863	6.7
99.92586	12.2
101.02560	4.0
102.23126	3.4
103.86154	3.9
116.03511	3.8
116.07140	7.8
116.92855	100.0
116.97243	7.5
117.01924	13.9
117.05563	9.6
125.02438	9.2
127.97436	3.7
130.26332	3.2
137.02408	3.9
140.52966	3.4
144.77376	3.2
151.00345	10.4
157.43500	2.9
159.40492	3.4
178.99820	5.6
271.02463	5.1
277.21686	3.7
287.01956	6.8
316.02264	17.1
317.03030	36.7
374.96234	3.5
479.08603	8.1
480.68958	3.9
631.09448	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	631.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45167	1.3
55.01867	1.7
57.03440	6.3
59.01374	16.3
61.98841	8.6
65.00288	1.4
69.03449	3.1
70.95066	3.1
71.01383	25.5
71.04709	1.3
71.05025	11.6
72.99305	10.5
73.02937	5.3
73.96752	1.6
75.00873	32.4
83.01372	6.0
85.02956	29.9
85.25463	1.3
87.00885	7.8
89.02428	2.9
92.97956	1.5
93.03444	2.7
95.01380	4.2
96.96021	8.6
97.02962	2.1
97.13115	1.4
99.00866	13.1
101.02426	5.4
107.01400	8.8
109.02945	5.6
111.00862	2.6
113.02454	27.6
115.00370	2.8
121.02974	9.9
123.00841	6.0
123.04555	2.3
124.01704	1.8
125.02446	45.3
134.03751	16.1
137.02472	9.7
139.00388	3.5
147.00937	2.0
149.09692	2.5
151.00352	19.8
157.01381	2.1
161.02386	2.9
161.04475	1.9
163.03949	1.7
164.13423	1.5
165.01857	2.5
166.05089	20.2
167.03459	6.9
168.00606	3.7
169.01418	41.5
175.02446	5.4
175.03925	2.0
175.07564	1.5
177.01923	2.5
177.09177	2.8
178.99879	13.5
190.99832	1.6
192.28722	1.5
199.03888	2.0
213.07684	2.4
214.02618	1.8
221.08162	42.8
222.08534	2.6
242.02306	2.2
251.11292	2.8
271.02380	8.6
287.01852	2.5
313.05588	6.7
316.02206	18.3
317.02975	40.7
318.03363	2.7
409.13388	8.2
413.30270	1.7
436.24298	1.6
453.68216	1.6
465.06543	2.3
479.08298	6.8
480.10992	2.6
569.26172	3.4
631.09839	15.6
631.22339	100.0
631.32788	14.2
632.12305	43.6
632.22711	14.0
641.20166	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	631.1669
Annotation	Galloylpaeoniflorin
Peak:m/z	Relative Intensity
59.01379	6.0
61.98829	3.8
63.02402	1.8
65.00341	1.6
67.01892	1.5
69.40771	6.4
71.01382	4.2
72.99316	1.6
73.02961	1.3
75.00877	1.4
77.60355	0.8
79.01894	1.5
81.03470	0.9
83.01411	2.1
84.52227	0.7
85.02963	2.5
87.00898	1.8
88.98824	2.2
89.02433	1.2
95.01404	2.3
96.96011	6.9
96.96945	1.0
97.02967	2.5
98.19894	1.7
99.00883	1.7
101.02450	2.5
107.01392	14.4
109.02980	2.7
110.45323	0.7
111.00886	4.1
113.02464	3.2
123.00893	13.9
124.01691	2.2
125.02450	50.8
126.02808	1.1
127.00424	0.8
136.98830	2.0
137.02452	7.5
139.00385	7.4
140.01169	5.3
141.01912	1.8
149.02463	0.8
150.03241	1.6
151.00368	26.4
151.03998	1.5
153.01933	1.0
161.02446	1.8
163.03960	0.9
165.01971	1.6
165.05602	2.0
165.09250	3.6
168.00627	7.8
169.01430	54.3
170.01788	1.8
177.01985	1.2
177.54588	0.7
178.99844	9.8
179.03505	2.9
181.05144	1.4
193.01505	1.5
194.05769	1.6
195.06638	1.4
209.08273	1.8
211.02455	1.1
216.18379	0.9
243.02988	1.2
259.02350	1.1
271.02359	4.9
287.02069	1.9
313.05640	4.6
316.02225	8.5
317.03000	28.1
317.06573	1.4
318.03348	2.3
331.04547	1.5
333.05511	1.0
461.14749	1.2
479.08524	4.2
479.15472	33.4
480.16199	2.5
541.22931	1.8
568.24969	1.2
587.20221	0.9
631.17023	100.0
632.08398	1.2
632.17175	13.6
632.25891	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.2
65.00317	2.6
71.01386	9.0
71.55817	2.3
79.95746	3.5
83.01411	3.4
85.02961	1.6
86.20973	1.5
87.00878	4.8
96.96014	17.1
101.02457	2.0
107.01396	5.6
111.00877	2.4
115.00386	12.4
123.00863	9.1
124.01646	1.9
125.02439	35.1
135.76654	1.6
137.02443	3.7
139.00371	3.9
140.01164	3.1
151.00356	16.8
152.01094	1.9
164.01158	2.4
165.05545	1.9
168.00667	3.4
169.01407	45.9
175.02455	32.1
177.01967	2.4
178.99850	4.9
214.02701	2.3
242.02293	3.3
243.27341	1.8
259.02649	3.3
270.01788	2.3
271.02411	20.7
287.01993	10.5
299.01926	1.9
313.05603	4.5
316.02219	59.9
317.02841	19.2
318.03271	2.1
327.03555	19.3
340.05438	14.3
340.55676	5.7
341.05325	1.9
389.10907	36.8
470.84039	1.7
479.03897	6.3
479.08331	17.5
541.11957	100.0
542.12518	8.9
545.34186	2.2
581.11639	1.9
631.09247	43.8
631.18976	3.8
632.09631	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	631.0943
Annotation	Myricetin 3-(6''-galloylgalactoside)
Peak:m/z	Relative Intensity
57.03440	1.7
59.01380	11.4
61.98840	7.8
63.02385	2.9
65.00325	4.1
67.01893	1.4
68.99790	0.9
69.03442	1.9
69.29402	6.8
69.29813	2.4
71.01390	8.4
72.99297	3.2
73.02930	1.3
75.00866	3.4
79.01895	1.7
81.03436	2.0
81.57612	0.9
83.01381	5.4
85.02955	7.0
87.00858	3.0
88.98807	3.2
89.02443	3.3
91.26112	0.9
95.01382	4.4
96.96011	10.8
96.96951	1.1
97.02934	1.9
98.19843	1.8
99.00862	2.2
99.76804	0.9
101.02444	3.7
107.01390	20.8
109.02972	5.7
109.03569	1.1
111.00900	6.5
113.02465	5.2
116.27962	0.8
119.05012	1.0
121.02942	4.5
123.00880	19.4
124.01689	4.4
125.02449	72.3
126.02784	2.1
127.00371	1.7
136.98779	3.1
137.02443	20.1
139.00398	7.5
139.04065	1.0
140.01160	6.0
141.01904	1.7
143.03491	1.0
149.02481	1.3
150.03114	1.0
151.00371	52.5
151.04005	3.2
152.00894	1.5
153.01860	1.3
156.94753	0.9
161.02438	1.8
163.00378	1.6
164.01210	1.3
165.01939	3.5
165.05478	1.2
165.09219	5.1
166.99820	1.5
167.03473	1.6
168.00642	8.0
169.01425	67.4
170.01735	2.7
177.01909	3.3
178.99867	30.5
179.03426	1.8
181.01437	1.2
181.04988	1.8
191.03511	1.0
192.00621	3.1
193.01358	2.6
195.06526	1.3
205.12234	1.1
211.02527	1.6
214.02646	1.3
227.03523	1.3
249.06007	1.9
255.02954	2.0
256.03436	1.0
259.02386	1.6
267.07156	1.3
270.01617	1.0
271.02484	9.3
272.02753	1.4
285.03638	1.0
287.01996	4.8
289.03244	1.2
300.02774	2.2
301.03156	1.1
302.02994	1.2
313.05655	13.3
314.05948	1.2
315.01666	1.2
315.05011	1.4
316.02234	18.3
317.03000	96.8
318.03229	6.3
331.04355	1.0
332.04901	1.1
333.04938	2.2
461.14160	1.1
479.08301	11.1
479.15512	42.6
479.71494	1.1
480.15988	3.3
491.08337	1.6
541.23077	1.4
568.11951	2.8
587.19623	4.0
601.00116	1.0
631.08984	30.3
631.16681	100.0
632.09216	5.8
632.18250	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	631.0939
Annotation	Myricetin 3-(6''-galloylgalactoside)
Peak:m/z	Relative Intensity
52.87278	1.1
55.21527	1.3
57.36496	1.2
59.01384	1.3
61.58085	1.1
65.00319	2.7
71.01392	1.5
73.02951	1.5
83.01401	1.6
96.96023	2.0
100.61833	1.2
107.01375	5.0
109.03012	2.0
113.02457	1.7
120.45435	1.4
123.00854	3.5
124.01674	3.0
125.02447	12.9
137.02422	4.8
139.00385	1.3
140.01147	1.9
151.00349	16.1
163.00385	3.3
164.01141	2.5
168.00560	2.2
169.01422	19.8
178.99854	15.3
190.99805	1.7
191.84732	1.4
192.00600	1.6
203.03497	1.5
204.04219	1.7
214.02716	7.2
229.37540	1.3
242.02249	5.1
243.02988	2.8
244.03557	1.3
259.02411	9.4
270.01724	6.9
271.02478	39.5
272.02750	2.7
287.01993	21.2
288.02625	3.3
313.05655	8.2
316.02228	97.0
317.02887	30.9
479.08258	14.1
507.04239	1.3
631.09424	100.0
631.26288	4.2
632.10046	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	631.094
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51299	0.4
63.02392	2.7
65.00323	4.6
70.30354	1.0
81.03471	0.6
83.01394	3.1
89.02520	0.5
95.47253	0.4
107.01392	9.3
109.02956	7.3
115.00322	0.7
123.00890	0.9
124.01653	0.7
125.02448	4.8
135.00876	0.6
137.02441	18.6
139.00398	0.6
151.00366	36.9
152.00764	0.9
163.00366	1.8
164.01118	1.2
165.01944	2.3
169.01411	4.5
178.99854	24.2
180.00194	1.0
190.99854	1.0
192.00650	1.8
193.01408	1.8
199.03883	0.6
203.03485	0.5
203.08209	0.7
214.02760	0.6
225.47971	0.4
227.03548	1.3
242.02289	0.7
243.02963	1.4
245.09254	0.6
259.02545	0.7
270.01706	1.3
270.99597	0.8
271.02426	6.7
287.01917	3.2
289.03790	0.5
299.01862	1.5
313.05609	1.6
316.02258	13.5
317.03006	100.0
318.03430	5.8
333.02451	1.3
423.75983	0.5
479.08331	14.9
480.08432	1.2
569.14532	0.6
601.15735	1.1
631.09430	18.9
632.10065	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	631.094
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.1
71.14336	2.1
72.65392	0.8
77.83947	0.8
78.95080	0.8
82.90652	0.8
83.01396	0.9
92.15390	0.8
96.96076	0.8
107.01390	3.6
109.02924	1.3
123.00890	1.5
124.01649	1.8
125.02471	6.1
133.89839	0.9
137.02452	2.9
151.00371	9.8
163.00378	1.8
164.01201	1.5
169.01445	6.2
178.99855	9.1
185.02354	0.9
193.29265	0.8
203.03465	1.1
214.02731	6.8
225.46878	1.0
227.03528	1.5
231.03061	0.9
242.02121	4.7
243.03027	2.1
256.69650	1.0
259.02402	5.3
270.01761	7.1
271.02472	34.7
271.05392	1.8
272.02829	2.6
287.01971	19.9
288.02628	2.9
299.02106	4.1
316.02234	100.0
317.02881	24.5
318.03384	1.1
361.70078	0.9
369.47809	1.0
397.22293	0.9
407.65186	0.9
456.97189	1.0
459.75369	0.9
479.08307	34.4
480.08594	3.7
631.09399	82.1
632.09601	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	630.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60484	3.2
57.03448	27.4
59.01375	28.4
61.11979	3.5
69.81513	19.3
85.02942	9.1
108.41791	3.0
109.06599	15.9
109.40203	3.4
111.04517	5.7
115.00379	5.3
123.00840	5.9
125.02451	33.6
135.08173	22.7
136.73376	3.8
137.09703	14.0
148.96190	3.6
149.09738	4.7
151.00365	7.0
153.09215	4.5
159.76740	3.6
161.21701	3.9
163.04037	3.7
163.11229	8.1
167.10747	12.4
169.01404	29.7
175.02460	6.5
177.01939	8.3
177.09203	29.2
191.10791	8.9
193.12331	100.0
194.12643	5.3
211.13403	35.9
217.12259	4.6
231.17537	3.2
235.13368	20.9
253.14452	15.9
253.16853	3.5
288.08835	5.2
327.03110	4.2
349.60486	4.0
378.32358	3.5
479.14172	5.2
497.41626	3.6
614.16119	3.6
630.14264	6.1
631.15515	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.3
61.98833	7.1
63.57425	0.9
64.66467	0.8
65.00295	0.8
68.03786	0.7
71.01382	2.3
71.55871	1.0
72.99301	0.9
82.95403	1.5
83.04982	0.8
92.05047	1.1
94.02962	0.9
94.06591	1.1
96.96016	2.0
97.02961	0.8
101.02451	1.1
106.06628	1.1
110.06114	6.5
113.02441	1.1
120.04523	1.1
120.08159	3.4
121.05309	3.1
122.06122	26.7
123.00821	0.9
124.20368	0.7
125.02442	6.9
130.06613	2.0
134.06134	9.3
137.02399	1.3
140.78342	0.9
144.04536	2.8
151.00362	1.1
151.07611	1.1
159.05684	1.0
160.04100	0.9
160.06421	8.6
161.04810	1.9
162.05623	1.1
167.03444	1.0
169.01398	3.6
173.04570	1.1
174.01636	1.7
174.05571	10.3
175.02574	1.0
187.06383	0.9
197.07249	1.2
198.12883	1.3
203.05865	3.6
203.11903	1.7
211.02367	0.9
211.08763	1.3
213.10333	41.1
214.10625	2.0
215.11909	1.8
223.08745	1.8
225.10321	2.6
226.11044	3.3
227.11720	1.3
235.08606	1.1
236.09479	1.3
237.10402	1.7
239.11896	23.1
240.12094	1.6
241.13457	22.2
242.13649	1.0
251.11797	5.0
263.08032	0.8
271.10974	1.1
277.09836	1.3
281.09238	2.2
283.10806	5.3
285.12436	100.0
286.12769	7.6
287.01617	1.7
293.13013	9.3
293.21167	1.4
301.11847	4.8
311.10272	2.4
312.10983	1.0
313.11908	1.0
315.01404	2.3
325.11823	1.4
327.10266	0.9
328.10815	3.1
329.15268	1.6
330.16156	2.6
340.10928	1.4
341.11499	2.5
342.12268	1.6
342.15973	1.8
343.13089	6.6
344.17599	3.1
345.18344	2.0
354.12292	1.2
354.16064	3.1
355.13089	2.1
356.14056	11.0
357.14523	2.4
368.17563	3.0
369.14578	2.7
370.15573	17.2
371.16541	4.1
372.17026	7.6
373.10294	0.8
380.14041	1.1
381.15082	0.9
382.11938	2.6
382.44061	0.8
383.12555	1.7
384.13351	3.5
384.17648	1.7
397.14255	2.2
398.15070	16.6
399.15543	2.0
403.15363	8.3
412.16583	10.5
413.17307	6.6
416.15994	1.2
428.16055	1.3
477.06525	1.0
481.22568	1.7
485.25525	3.5
493.22543	6.7
511.23532	14.7
512.23822	2.0
523.23602	6.4
535.15503	1.7
535.23474	28.7
536.23492	3.1
538.21613	1.2
553.24554	71.6
554.24811	10.1
556.23096	5.1
567.22711	2.6
579.22595	7.2
580.23090	1.4
585.26917	1.8
597.23529	78.6
598.23840	9.8
611.25446	4.1
612.25604	1.2
629.09790	1.2
629.26050	27.8
629.38135	1.7
630.26263	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	629.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.4
57.94032	0.6
59.01382	5.1
61.98835	5.9
66.47883	0.6
69.03445	1.0
69.69594	3.9
69.92722	0.6
71.01375	2.3
72.99295	0.8
77.08391	0.7
81.03434	1.1
83.01384	1.2
85.02940	2.3
87.00884	1.0
88.98803	1.8
89.02437	1.3
93.03508	0.8
95.01388	1.4
96.96023	5.1
97.02975	1.5
101.02453	1.8
105.92809	0.9
107.01386	2.4
109.02959	5.2
111.00876	1.2
112.98685	1.0
113.02455	2.4
119.05036	1.0
121.02942	1.4
122.03716	1.5
123.00872	2.1
123.04533	2.2
124.01668	1.4
125.02451	16.5
126.02775	0.9
135.04451	1.2
137.02432	8.1
138.02814	0.6
139.00365	2.7
139.04019	2.4
140.01129	1.5
145.02959	2.4
147.04521	2.4
148.05249	0.7
149.02455	2.4
151.00357	3.1
151.03999	5.1
151.07658	2.0
152.04808	1.5
153.01927	1.7
153.05536	0.7
154.02547	0.7
156.59369	0.8
161.02434	2.1
161.05965	1.3
162.02945	0.7
163.04002	4.4
164.01122	0.9
165.01907	3.1
166.02730	1.2
167.03511	2.4
167.39427	0.6
168.00641	1.7
169.01421	14.3
173.02370	1.0
174.03255	3.1
175.03989	16.5
176.04790	3.8
177.01955	1.3
177.05573	3.0
179.03496	2.9
180.04262	9.1
188.04762	4.9
189.05553	7.1
190.06343	19.7
191.03471	2.3
191.07111	13.9
192.04311	1.1
193.05032	9.3
194.05852	7.6
195.06451	0.9
198.05310	1.3
203.07196	2.3
205.08678	18.6
206.05772	0.8
207.06607	7.8
208.07388	8.6
209.11803	1.2
215.07146	4.6
222.08972	1.7
223.09766	1.8
229.05092	1.1
243.12274	1.1
245.08144	1.1
257.08093	1.3
271.02353	1.1
284.10178	0.7
287.02106	1.3
289.07095	3.6
290.07480	1.0
301.07147	10.9
302.07468	1.1
313.05670	1.4
315.01352	2.2
316.02322	0.9
331.04526	1.6
359.11060	1.1
367.45959	0.8
374.13501	3.6
375.14377	1.3
389.16037	100.0
390.16345	7.8
403.17389	3.4
419.16882	4.1
466.31641	1.0
467.33585	3.5
477.14038	1.6
599.25061	3.8
629.15076	8.2
629.26324	2.4
629.32977	4.7
629.40723	1.2
630.30286	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
59.01379	33.1
61.27450	0.9
69.20964	9.1
71.01380	18.8
72.99301	1.2
78.23527	0.9
81.03419	1.3
85.02924	4.5
87.00880	1.2
89.02443	25.4
90.41328	1.0
95.01360	1.9
99.00874	1.0
101.02438	12.8
113.02446	8.6
119.03508	9.0
125.02432	6.9
131.03506	1.3
135.34892	0.9
137.02367	1.9
143.03484	1.0
167.03505	1.0
169.01443	2.7
179.03630	1.3
179.05595	1.6
219.06630	1.2
236.20868	0.9
245.99727	0.9
305.06525	3.5
317.52460	1.1
323.13446	100.0
324.13934	5.9
467.11884	1.5
469.48785	1.2
495.07889	1.6
501.17371	1.0
630.14429	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32787	0.7
59.01390	4.1
60.99289	1.6
61.98844	4.7
65.00316	1.0
67.01884	0.8
69.03448	2.9
69.25157	7.1
69.25546	1.9
69.60065	0.6
71.01380	5.7
72.99281	1.0
75.00863	1.3
79.01882	1.1
83.01379	1.3
85.02937	3.0
87.00884	1.4
88.98811	8.8
89.02425	0.8
93.03505	0.9
95.01393	2.3
96.96017	5.5
97.02947	2.8
101.02444	1.8
105.18504	0.8
107.01397	10.5
108.02163	1.3
109.02956	1.6
111.00877	2.6
112.56475	0.7
113.02450	2.0
116.92826	1.4
117.03441	2.8
119.05057	2.2
123.00918	6.1
124.01631	1.7
125.02452	87.9
126.02783	1.7
127.00430	1.4
135.04472	0.8
137.02455	1.4
139.00349	4.4
140.01138	2.9
141.01904	0.8
143.03499	3.0
145.02974	5.2
147.62857	0.8
149.02435	0.8
151.00362	7.5
152.01132	1.2
155.03534	0.8
157.76749	0.9
166.99870	1.2
167.03404	1.7
168.00639	4.7
169.01431	100.0
170.01801	2.5
175.02417	0.8
178.99832	2.3
179.03465	0.8
193.01375	2.0
203.03465	0.9
211.02533	5.1
221.04475	1.1
241.03702	1.0
243.02861	1.0
259.02304	1.1
267.07153	1.0
269.04419	1.2
271.02118	1.2
271.04587	2.8
285.00351	3.3
285.03415	0.8
287.02118	1.9
295.04709	4.1
300.02750	8.1
307.82922	0.8
311.27344	0.8
313.05640	25.2
313.09286	1.2
314.06039	1.3
315.01523	1.6
315.04919	1.1
316.02332	1.7
317.03049	0.9
423.05588	1.4
437.01529	1.1
465.06744	39.2
466.07010	3.7
477.10443	8.0
478.10742	0.9
483.07715	2.7
539.21362	13.9
540.21887	1.3
566.14319	1.2
585.08740	1.5
611.06628	1.2
629.11469	76.6
629.20227	3.1
630.11975	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	629.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16289	0.7
51.39069	0.7
59.01370	1.6
61.98798	0.7
67.01885	1.3
69.03454	1.8
70.32848	0.9
71.01377	2.0
71.53853	1.4
73.02950	0.8
79.01875	1.3
81.03442	1.4
83.01368	1.4
85.02977	1.6
93.03486	0.9
95.01381	2.2
96.96009	2.7
97.02940	2.2
101.02456	1.9
107.01393	9.1
109.57377	0.8
111.00869	2.5
113.02424	2.6
119.05026	28.7
120.05363	1.4
123.00889	9.3
124.01651	2.2
124.06209	0.8
125.02445	74.0
126.02769	2.1
127.00404	0.9
136.98787	1.1
137.02435	1.2
139.00349	5.1
140.01158	3.3
141.01950	0.9
143.03508	0.8
151.00366	6.2
161.02417	1.0
163.04019	13.2
168.00668	5.5
169.01425	83.2
170.01782	2.0
201.46799	1.0
211.02513	1.5
216.04213	0.8
217.11142	0.9
217.13206	0.9
237.04149	1.0
270.83551	0.9
295.04639	1.5
313.05655	17.9
465.06570	6.0
477.10358	18.8
478.10629	1.1
488.96552	0.9
629.11456	100.0
630.11749	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	629.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38482	0.6
59.01381	4.9
61.98825	9.2
63.02393	1.4
65.00327	2.8
67.39165	0.7
69.03449	1.1
70.70782	1.6
70.71144	0.8
71.01393	3.1
73.02966	0.9
83.01379	2.2
85.02940	1.6
85.12936	0.6
88.98779	1.3
89.02456	0.7
95.01415	1.7
96.96009	2.4
99.04544	0.8
101.02444	1.2
106.51132	0.6
107.01388	6.7
111.00874	2.1
113.02438	1.8
123.00874	2.0
123.04478	0.7
124.01664	3.2
125.02454	26.5
126.02758	1.6
127.00406	0.7
135.00903	0.9
136.01659	1.6
137.02370	0.8
139.00371	2.3
139.04001	1.3
140.01123	2.7
151.00362	19.2
151.03975	3.4
152.01118	2.8
161.02466	1.3
163.00354	4.0
164.01164	3.3
165.01991	1.3
167.03491	1.4
168.00653	2.8
169.01428	30.1
170.01762	1.6
175.04001	1.2
177.01973	2.2
178.99854	13.5
193.01427	1.0
195.06543	0.7
197.04517	1.2
199.04181	0.7
201.11293	0.8
203.03459	1.0
209.04546	0.8
214.02763	2.6
215.03429	0.9
227.03310	0.9
231.02914	0.8
242.02214	3.0
243.02902	3.0
255.02855	0.9
259.02496	5.0
260.03296	1.4
270.01587	3.4
271.02451	16.0
272.03021	1.5
275.05511	0.7
287.02005	10.3
288.02600	2.1
297.06085	9.9
298.01138	0.7
300.02768	1.0
301.03439	0.8
303.04974	1.6
315.01596	4.1
315.04654	0.8
316.02225	37.4
317.02576	3.5
330.03741	3.0
331.04568	100.0
332.05029	6.3
341.06641	0.8
358.62012	0.7
455.43506	0.8
477.10303	2.4
629.11456	35.4
629.22668	1.5
629.27252	2.2
630.12006	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	627.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.0
61.98835	6.9
71.01385	0.9
82.95390	1.0
98.20648	1.7
99.04499	1.2
101.02438	0.8
121.06606	0.8
122.03722	1.4
125.02430	1.6
135.04498	3.4
136.05299	45.7
137.05865	1.5
147.08231	0.7
149.06082	7.6
150.06816	3.1
162.06918	3.3
164.08411	6.1
165.09189	15.8
169.01431	1.8
171.10262	1.1
174.70871	0.8
187.88579	0.7
189.08945	0.8
264.80585	0.8
447.35043	1.9
450.33362	6.4
464.35132	3.6
465.35825	100.0
466.36215	10.8
627.26819	0.8
627.38171	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.7
59.01386	7.2
61.37849	1.1
61.98837	15.6
62.47908	1.1
71.01375	3.4
71.05195	1.4
71.54881	1.6
78.95906	46.2
80.91667	4.5
82.95441	1.1
83.87260	1.0
85.02926	2.2
85.34215	1.0
88.98774	2.5
96.96945	8.6
99.08157	1.8
101.02456	1.5
113.02444	1.4
113.09692	1.6
113.46815	1.1
123.00845	2.0
125.02427	9.7
129.09204	4.8
136.05312	9.2
149.98489	1.2
151.07719	2.2
152.99580	47.9
165.09171	3.8
167.03436	2.0
169.01419	15.9
169.12286	2.0
171.10271	2.2
177.01909	2.3
181.12308	5.0
183.13931	1.4
193.12366	1.4
195.14064	1.2
197.11816	6.6
199.13365	5.2
205.53503	1.3
209.11797	3.3
211.13408	10.6
223.00133	3.0
241.01192	21.8
253.09499	1.4
259.02191	2.0
293.21307	6.3
309.20480	1.4
311.22269	28.0
312.22583	2.0
315.01685	1.3
315.04846	5.7
333.05991	1.9
464.34451	1.7
465.36121	12.5
475.29694	1.3
627.27838	100.0
627.37128	8.0
628.28113	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	627.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50380	0.8
55.92380	0.8
61.98820	1.9
70.67066	2.0
70.67415	0.8
75.29802	0.9
78.95905	25.9
79.95740	3.4
96.96008	100.0
96.96961	38.1
125.01538	0.9
125.02426	2.9
130.62888	0.9
136.05304	1.9
152.99565	3.0
161.35588	0.8
165.09189	1.4
195.13855	0.9
209.11870	0.9
223.13390	1.7
293.21191	2.7
351.05914	2.0
379.26801	0.8
465.36005	6.5
539.18811	2.0
622.19397	0.9
627.28931	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88221	0.7
59.01387	3.6
61.21584	0.7
61.98842	6.9
68.08485	0.8
70.82931	1.9
71.01380	2.1
73.02953	1.1
75.00883	0.7
78.95908	3.6
81.27802	0.7
82.03243	0.7
85.02957	1.4
93.03416	0.8
94.11481	0.7
97.02958	0.8
108.62560	0.8
109.02950	2.1
111.00877	0.7
113.02454	1.0
121.02959	1.5
123.00885	4.6
123.04525	1.3
124.01650	2.2
125.02454	6.1
129.09175	0.9
131.05031	1.1
137.02460	11.4
138.03143	1.2
139.00385	1.9
139.04005	5.0
145.02907	0.8
147.04503	0.8
149.02380	1.8
150.03131	0.9
151.00388	23.4
151.03992	2.6
152.01013	1.3
152.04756	2.3
152.99591	3.9
159.04543	1.1
161.02451	1.7
163.04030	1.3
165.01915	0.9
166.02708	72.2
167.03493	4.5
169.01416	2.6
170.01857	0.8
173.02342	1.8
175.03949	3.3
176.04814	1.1
177.01881	5.6
177.05513	2.1
179.03526	1.0
181.05064	84.7
182.05411	2.5
184.03772	0.9
187.03987	2.9
189.05536	1.0
190.02733	0.9
190.06433	1.9
191.03487	3.1
191.07127	1.0
192.04202	2.5
193.05061	1.1
197.11797	0.9
204.04358	0.9
205.05095	5.9
205.08713	1.8
206.05750	3.5
207.06578	1.7
211.13356	1.0
219.06651	2.0
220.07367	3.6
221.08157	8.4
233.08131	0.8
235.09668	1.4
241.01173	1.5
279.03687	0.8
280.92166	0.8
311.05606	0.8
311.22290	1.7
312.06390	0.9
315.04941	1.0
327.08713	1.4
339.08688	2.9
357.09863	2.0
359.11359	2.1
371.15186	1.4
372.12119	7.0
373.12833	1.1
384.65552	0.8
387.10632	10.6
387.14511	46.6
388.15265	4.6
399.14398	3.3
401.16010	2.2
402.13098	7.4
403.13843	1.4
417.15530	100.0
418.15845	8.8
431.16812	1.1
544.04437	0.7
597.23651	3.4
627.27106	11.8
627.37592	4.5
628.28497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
59.01382	7.4
61.98825	10.2
67.01879	0.8
69.03452	1.4
70.98553	1.0
70.98873	1.0
71.01066	0.7
71.01386	7.3
72.99284	3.1
73.02938	1.7
78.95897	1.7
83.01364	2.7
85.02935	5.3
87.00865	1.6
88.98795	1.8
89.02428	2.3
95.01360	2.5
96.96014	5.5
97.02906	1.4
99.00866	1.2
101.02425	2.1
105.01941	1.0
108.02173	59.2
109.02973	13.7
111.00862	1.1
113.02413	3.2
116.92735	1.1
121.02960	1.8
122.03696	1.1
123.00873	3.2
123.04489	1.1
125.02447	13.6
133.02924	1.3
135.04469	1.1
137.02443	9.9
149.02478	1.0
149.05988	1.4
151.00368	1.3
151.03949	2.4
151.07611	1.0
152.01151	100.0
153.01843	5.2
161.02457	5.8
163.03934	3.2
165.01826	1.0
165.12784	3.8
167.03427	2.4
169.01427	8.7
173.04544	1.0
175.03923	1.9
177.01834	2.1
179.03444	2.7
179.05656	0.8
183.12431	1.4
183.13908	18.5
209.11797	1.2
225.00761	1.0
227.12817	4.1
234.16350	0.9
241.07121	3.6
281.04520	1.2
285.00348	0.9
285.06174	1.1
299.05481	3.5
301.03604	1.1
386.94604	1.0
399.09305	11.4
417.10342	15.8
465.15350	2.4
465.31769	2.4
495.19644	1.4
537.22833	1.2
583.24103	4.4
609.21527	2.2
627.22626	84.5
628.22974	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	627.2098
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
53.41188	3.1
53.80598	2.6
54.08826	2.8
70.08980	9.2
70.68912	2.6
116.92848	3.2
169.01422	2.9
188.08644	2.4
254.13786	2.5
274.02768	2.8
298.91733	2.8
312.84271	2.5
452.15091	5.1
481.15302	8.0
495.16837	15.7
508.18021	3.3
551.19366	42.1
552.19727	6.8
595.18207	9.2
627.20923	100.0
627.31134	5.8
628.21277	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	627.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.9
65.02124	0.5
67.01862	0.7
69.03440	1.1
71.01374	3.2
72.99327	0.7
73.02958	1.1
74.53482	0.7
75.00856	0.7
83.01364	0.8
85.02949	1.3
89.02454	1.5
92.16934	0.7
93.03460	0.7
95.01385	1.7
96.77995	0.6
96.96036	0.7
97.02951	1.0
101.02444	3.2
107.01383	7.4
109.02903	0.8
111.00878	2.0
113.02445	2.0
123.00880	7.5
123.04503	0.7
124.01658	2.3
125.02445	56.0
126.02794	1.5
136.98781	1.4
137.02444	1.7
137.79922	0.6
139.00400	3.7
139.03990	1.0
140.01207	3.1
141.01872	0.9
151.00346	4.6
161.08205	1.9
165.01918	1.7
166.99808	0.7
167.03488	2.3
168.00641	10.1
169.01419	77.8
170.01762	2.7
181.01401	2.8
183.02953	2.1
193.01395	6.7
211.02464	30.8
212.02711	1.6
229.69829	0.8
235.02423	1.4
237.04027	0.8
241.03577	1.5
242.69000	0.7
253.03568	2.0
271.04578	20.1
272.04880	1.0
313.05713	5.0
331.06717	3.3
332.77194	0.7
413.14529	1.8
423.05692	5.7
429.13846	1.5
465.06531	0.7
475.14581	15.7
476.14801	1.2
483.07782	5.6
581.14728	1.2
609.14539	1.6
627.15619	100.0
628.15967	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	626.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.5
59.01144	0.6
59.01385	7.6
61.98830	38.4
65.00317	0.7
67.01898	1.5
67.47775	0.6
69.03436	1.3
71.01378	4.2
71.53965	0.8
72.11739	0.6
72.99308	1.4
73.02930	1.0
75.00871	2.0
79.01897	0.8
80.96508	0.7
81.03437	0.9
83.01397	1.3
85.02934	2.4
87.00869	1.2
88.98797	0.9
89.02435	2.5
95.01379	3.0
96.95993	2.0
97.02949	1.8
99.00894	1.2
101.02429	2.9
107.01391	12.7
109.02962	0.8
111.00886	3.5
113.02427	3.5
119.03511	0.8
121.02922	0.7
123.00883	15.1
124.01648	2.6
125.02450	49.8
126.02759	1.8
127.00311	1.5
129.03418	0.6
136.98790	2.6
137.02473	1.0
137.06078	0.7
139.00380	6.3
139.04022	0.9
140.01161	6.2
141.01955	0.8
151.00366	10.3
151.03914	0.8
153.01901	0.9
160.07716	1.5
167.03416	0.8
168.00620	7.8
169.01422	53.2
170.01735	1.7
177.01900	1.4
179.03545	0.8
181.01428	0.9
181.05077	0.7
193.01314	1.0
211.02463	1.9
225.04335	0.6
237.04097	0.7
244.02328	0.6
249.06154	0.9
271.04593	2.2
313.05621	1.1
357.13846	0.8
371.24341	1.0
375.27457	3.1
376.27698	1.2
453.53043	0.7
474.14059	35.5
475.14243	4.7
508.04300	0.7
588.14111	1.0
625.34332	5.6
626.15057	100.0
627.15399	15.9
627.25433	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10582	0.5
59.01372	0.9
61.98831	100.0
69.27273	1.4
69.27671	5.2
75.00877	0.5
107.01405	0.6
113.02494	0.9
125.02464	1.0
151.00423	1.7
169.01466	1.8
207.05263	0.6
227.03510	14.8
228.03876	0.7
230.69312	0.7
255.02991	27.9
256.03735	3.5
283.02463	1.0
284.03256	51.4
285.03839	9.5
410.26291	0.7
563.14050	66.5
564.14386	8.1
625.34888	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.9
59.01137	0.8
59.01376	7.8
61.98820	1.7
65.00304	1.0
68.99751	1.3
69.03465	1.0
71.01384	8.4
71.87080	0.9
72.99294	2.6
75.00871	8.9
83.01373	1.5
85.02957	9.8
87.00866	3.1
88.98814	1.6
89.02441	2.0
95.01371	2.9
96.96018	2.0
99.00883	3.9
101.02425	1.3
103.00340	1.2
113.02453	9.6
115.00423	1.2
117.01910	1.8
123.00786	1.1
125.02453	10.4
126.02737	2.1
137.02415	1.3
139.00333	1.0
151.00348	2.6
153.01926	1.0
161.02437	1.0
165.01854	1.4
169.01421	4.8
171.10254	2.1
175.00317	3.3
175.02602	1.4
176.00732	1.4
177.01915	1.3
178.99814	3.2
180.00214	2.1
181.00307	2.1
183.13864	1.9
185.11772	1.5
191.03447	1.9
193.01401	15.5
194.01707	6.8
195.01881	4.4
215.03619	1.3
225.11438	1.0
249.06206	7.1
250.06398	1.2
286.74344	1.1
301.03513	1.4
303.04050	1.2
319.04541	7.2
320.04904	5.9
321.05130	7.0
329.23444	1.2
357.26334	2.1
373.26068	5.4
374.26172	4.9
375.27286	28.0
376.27704	1.5
471.05701	1.4
472.06042	1.6
473.05600	4.9
607.32587	1.2
625.33966	100.0
626.34607	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	625.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.8
57.09996	0.6
59.01377	9.7
68.99827	1.0
69.03454	1.0
69.32760	4.8
71.01379	10.8
71.99188	0.5
72.99309	3.7
73.02950	1.4
75.00869	10.0
81.48421	0.6
83.01389	0.9
85.02950	11.5
87.00871	3.7
89.02449	4.3
95.01395	3.2
97.02959	0.9
99.00876	5.5
101.02454	1.1
103.00381	2.0
103.27699	0.5
109.06615	0.5
113.02454	10.8
115.00369	0.9
117.01933	1.6
119.03528	1.1
125.02467	1.5
129.01941	0.9
141.12871	0.9
157.01498	0.8
157.12375	1.8
165.12900	2.2
169.01454	1.1
169.12338	1.3
175.02589	1.0
183.13890	14.3
185.11877	2.0
186.20810	0.6
215.12883	1.8
227.12944	1.8
231.05350	0.6
247.37262	0.5
249.06122	8.3
251.20184	0.6
311.22134	0.6
329.23447	2.1
339.25504	0.7
357.26404	3.3
369.34531	0.5
373.25931	1.4
375.27472	50.8
376.27884	3.4
397.13739	0.7
429.18945	0.6
473.84845	0.5
607.33777	1.5
625.27167	7.7
625.34717	100.0
626.25299	0.9
626.34973	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86251	0.6
57.03448	4.4
58.00575	0.6
58.66642	0.5
59.01376	12.8
61.98833	2.6
66.91785	0.6
68.36351	0.6
68.99823	1.0
69.03446	1.4
70.34595	0.7
71.01380	11.0
72.99310	3.7
73.02946	2.3
73.80969	0.6
75.00869	8.8
83.01376	1.1
85.02953	12.5
87.00875	4.0
88.98809	2.2
89.02442	3.7
95.01391	2.7
95.20298	0.6
96.95993	1.9
97.02954	0.8
97.06591	1.2
98.19778	1.2
99.00870	6.9
101.02439	1.6
102.16138	0.6
102.55496	0.6
103.00353	1.2
107.01367	1.6
111.00869	1.0
113.02441	13.7
115.00371	1.6
117.01947	1.6
123.00864	1.4
123.08190	0.8
124.01656	1.2
125.02446	13.1
129.01921	1.4
137.02399	0.7
139.00404	1.7
149.02383	0.8
151.00351	2.5
155.10777	1.5
155.58188	0.6
157.12332	1.1
167.03453	0.9
168.00645	1.4
169.01410	13.4
170.01793	0.7
175.02510	1.1
177.01901	1.3
177.95067	0.6
183.13895	5.5
185.11807	2.7
215.12862	0.7
227.12869	0.8
249.06134	5.3
250.06496	0.8
267.07251	1.4
313.05682	0.9
321.15750	0.9
329.23343	1.6
357.26495	2.9
373.26382	1.0
375.27484	43.7
376.27655	3.9
473.10818	2.3
473.16467	1.3
607.34009	1.0
625.11896	5.0
625.18048	3.9
625.34491	100.0
626.10834	0.9
626.34802	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	625.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
57.03442	2.3
59.01378	22.8
59.85810	0.6
61.50201	0.6
61.98813	0.7
69.03465	1.0
69.20283	4.5
69.20693	1.8
71.01382	17.3
72.99310	1.9
73.02940	2.7
75.00871	3.1
81.03450	0.7
83.01401	2.5
83.05067	0.6
85.02944	6.0
86.65622	0.6
87.00889	4.1
88.98816	1.2
89.02444	11.4
95.01389	2.0
96.96001	0.9
97.02953	2.1
99.00874	2.5
101.02438	11.4
111.08176	1.3
113.02452	9.0
119.03505	2.3
125.02438	5.3
126.01060	0.6
137.02454	0.6
143.03470	1.8
151.00385	0.9
152.01120	1.3
161.04581	1.5
165.12814	9.0
166.08601	0.6
169.01418	1.9
175.02539	0.8
179.05568	1.4
183.13893	74.0
184.14186	3.0
188.15054	0.6
189.65727	0.6
209.11798	1.5
221.06711	1.4
227.12903	10.4
235.08231	1.8
249.06149	2.1
355.13983	1.5
357.26328	0.9
373.25958	1.6
375.27518	15.0
376.27728	1.5
397.13437	5.7
415.14484	3.1
421.98611	0.7
459.78354	0.6
474.25012	0.7
488.35867	0.8
494.96173	0.7
625.26996	100.0
625.34900	19.5
626.26837	12.5
626.35205	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	625.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.5
57.03445	1.6
57.72489	0.3
58.00594	0.7
58.35404	0.2
59.01378	23.4
60.99303	0.4
61.98845	1.3
68.99830	0.5
69.03468	1.0
69.48618	0.7
71.01381	16.9
71.05018	0.3
72.99313	2.3
73.02957	2.8
75.00872	2.6
81.03474	0.9
83.01386	1.9
83.05064	0.3
85.02950	6.1
87.00884	3.4
88.98810	1.7
89.02444	13.0
91.04005	0.4
93.03474	0.5
95.01404	1.8
96.96040	0.8
97.02945	1.8
97.06654	0.3
99.00890	2.4
101.02444	11.5
103.00417	0.3
106.12606	0.3
107.01424	0.3
108.02187	0.7
109.02984	0.5
111.00893	0.5
111.04556	0.6
111.08190	0.7
113.02454	7.2
119.03503	2.6
119.04988	0.4
121.02974	0.5
123.00895	0.6
125.02452	5.0
129.02048	0.3
131.03494	0.4
135.04483	0.3
137.02446	0.4
139.04044	0.3
142.02821	0.3
143.03532	1.3
149.04573	0.5
150.03250	0.3
151.00346	0.5
152.01160	1.6
161.04575	1.8
163.11221	0.3
165.12839	11.3
166.13211	0.3
167.03442	0.3
168.00667	0.3
169.01445	3.1
173.04575	0.3
177.02029	0.5
179.05641	1.3
183.13895	84.2
184.14229	3.2
185.04527	0.5
185.11909	0.3
196.07358	0.4
209.11769	1.1
211.09735	0.5
219.88289	0.3
221.06631	1.1
227.12880	12.3
228.13298	0.4
235.08250	1.6
243.95096	0.3
249.06073	1.1
253.09239	0.5
271.19153	0.4
277.09320	0.4
323.10016	0.3
340.11816	0.3
355.13956	2.5
357.26431	0.5
373.14957	1.0
373.25705	0.5
375.27466	8.1
376.27695	0.7
390.40268	0.3
397.13495	7.0
398.13644	0.7
415.14594	3.5
445.20575	0.4
473.10733	0.3
565.22467	0.5
579.59479	0.3
583.23352	0.3
607.25165	0.8
625.26660	100.0
626.27118	14.0
626.34277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76402	0.8
57.03442	2.4
57.74663	0.9
59.01383	6.9
61.98830	21.4
69.40112	7.3
70.39539	0.9
71.01376	3.9
73.02940	2.2
78.95903	54.0
79.95748	2.8
80.96518	2.2
83.01378	1.3
85.02954	3.0
87.00835	1.1
89.02436	1.7
93.03416	0.9
96.96014	8.5
96.96960	12.2
101.02472	1.7
109.72104	1.1
111.00830	1.4
111.08141	7.2
113.02438	3.0
116.92854	1.1
122.03736	4.2
125.02448	10.8
135.04573	1.3
136.01659	1.6
137.02409	2.2
150.06821	1.8
151.00356	1.6
151.04024	1.2
151.07625	2.8
152.99582	59.6
153.99896	1.0
163.11234	1.3
165.12903	1.1
167.03566	1.6
168.00581	1.0
169.01425	10.5
169.12341	4.4
177.01973	1.7
179.10883	1.1
197.11815	28.3
198.12202	1.5
209.11775	1.5
209.15443	1.3
211.13396	3.6
223.00092	8.9
241.01173	21.3
259.02316	1.7
291.19592	5.6
309.20724	14.8
310.20773	1.3
315.04810	8.7
316.02139	2.3
373.87604	1.0
462.29620	1.2
463.30347	12.9
464.31775	1.5
625.26312	100.0
626.26544	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	625.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.7
58.10372	1.1
59.01370	6.0
61.98825	10.1
64.23756	1.3
69.03460	1.5
69.49557	7.9
69.49967	2.3
71.01376	3.7
78.95901	73.5
85.02937	1.3
87.21349	1.3
96.96029	1.9
96.96953	13.2
98.74986	1.4
111.08132	2.0
125.02432	4.3
135.04485	1.7
136.05316	19.4
137.06096	1.4
149.06081	7.1
150.97964	1.4
152.99583	100.0
160.01666	2.0
164.08440	1.4
165.09201	6.5
165.12872	1.6
167.10718	4.3
169.01414	1.7
171.00601	3.1
175.03996	2.1
179.03564	1.4
179.10770	3.8
179.14403	3.9
195.13860	11.3
197.11789	2.3
205.12390	8.3
209.11896	4.1
223.00089	10.9
223.13374	39.7
224.13667	1.8
241.01166	36.0
259.02185	4.0
291.19623	31.9
292.19925	2.1
309.20523	1.7
315.04898	15.7
333.05872	4.4
448.31674	3.0
462.33109	3.1
463.27261	6.0
463.34219	37.6
464.34473	3.2
477.19467	1.4
539.18976	73.0
540.19293	5.2
607.25140	10.3
616.22852	1.6
625.26227	35.9
625.36224	1.6
626.26447	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	625.2632
Annotation	Hanburinone
Peak:m/z	Relative Intensity
50.00262	1.0
54.47565	1.0
57.56124	1.1
59.01383	3.5
61.98836	5.0
69.03452	1.4
71.01379	1.5
78.95907	48.1
96.96965	8.8
96.97475	0.9
111.08174	6.6
117.88530	1.3
123.00907	1.9
125.02443	6.9
130.84146	1.1
136.60832	1.2
152.99597	46.5
169.01434	4.7
169.12367	4.2
171.00592	1.8
183.13914	1.2
197.11836	27.9
209.11842	1.5
211.13411	4.0
223.00125	4.2
223.49348	1.0
241.01180	19.3
247.20580	1.7
259.02176	1.8
263.20053	1.4
291.19525	6.6
309.20685	17.3
315.04886	7.5
333.05948	2.2
463.33737	1.5
473.20020	1.9
625.26477	100.0
626.26697	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49821	0.7
59.01376	2.7
61.98823	4.7
63.41299	0.8
70.96748	1.9
70.97073	0.9
71.01381	1.1
78.95899	50.8
90.95673	0.9
96.96030	1.0
96.96947	8.1
111.08169	6.1
121.02967	1.0
125.02453	3.2
152.99585	52.6
169.01462	2.4
169.12331	4.9
171.00642	1.3
197.11836	31.7
198.12204	1.5
199.13333	1.9
211.13428	4.0
223.00066	5.8
227.12923	1.3
241.01147	21.4
242.01569	1.4
259.02136	1.0
263.20230	1.2
291.19589	5.5
309.20703	17.3
310.21219	1.4
315.04749	6.2
394.41855	1.0
442.84750	0.8
487.94531	1.2
625.26318	100.0
626.26489	12.8
632.87823	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03439	1.0
59.01381	7.7
61.98830	11.2
65.00322	0.7
67.01887	1.3
68.99817	0.9
69.03461	1.5
71.01385	6.1
72.99306	1.5
73.02942	2.4
75.00864	3.0
76.56129	0.5
78.10769	0.5
79.01904	0.8
80.96523	0.5
81.03455	0.8
83.01380	1.4
85.02953	6.0
86.03252	0.5
87.00886	2.6
88.98805	3.0
89.02434	1.5
91.44754	0.5
95.01393	3.2
96.01714	0.5
96.59898	0.5
96.96017	1.0
97.02938	1.3
98.20706	0.8
99.00896	2.9
99.04436	0.5
101.02443	3.7
102.40400	0.4
107.01394	10.6
109.02938	0.4
110.00099	0.5
111.00888	3.3
111.04486	0.5
113.02446	4.9
114.02769	0.8
123.00882	11.5
124.01662	2.1
125.02446	40.0
126.02782	1.2
127.00358	1.2
129.01804	0.5
129.06546	0.5
131.08896	0.4
136.98810	2.1
137.02428	1.2
139.00371	5.9
139.03978	0.5
140.01184	5.3
141.01904	1.4
145.02968	0.6
151.00368	10.6
151.03958	0.6
152.00854	0.5
153.01923	1.0
153.66525	0.4
154.99919	0.7
163.04030	0.6
165.02002	0.9
167.03430	1.1
168.00635	7.0
169.01427	44.4
170.01776	1.8
175.02469	1.1
175.03889	0.5
177.01967	1.1
179.03508	0.9
181.05081	0.9
185.11766	1.4
186.12175	0.6
193.01439	0.6
193.05032	0.5
211.02463	1.1
215.12910	1.2
216.13066	0.7
249.06238	1.1
250.06470	1.3
259.06021	0.6
269.04593	1.4
313.05569	2.1
344.25153	0.9
345.25598	0.7
356.25104	0.6
373.25919	3.7
374.26303	4.8
375.26627	4.3
405.12933	0.8
433.06912	0.5
455.19223	1.8
473.20276	34.3
474.20636	3.0
577.78558	0.6
624.33160	12.8
625.21265	100.0
625.33264	26.7
626.21661	11.9
626.32452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12865	0.4
54.01307	0.5
59.01385	3.0
65.00314	1.2
69.99432	1.6
71.01382	0.8
72.99304	0.6
75.00859	0.6
82.39417	0.4
83.01373	0.9
85.02934	0.9
93.02136	0.6
107.01393	2.4
109.02949	1.4
113.02441	1.4
118.04249	0.5
124.01636	1.4
125.02437	2.0
137.02440	5.5
139.11278	0.5
141.70396	0.6
150.03250	0.6
151.00381	12.2
152.01068	0.7
163.00386	0.8
164.01129	0.8
169.01379	2.2
178.99838	9.3
192.00677	1.3
193.01303	0.5
203.03445	1.2
209.11868	1.1
214.02766	3.5
227.03491	1.2
227.12947	1.2
231.26167	0.5
242.02185	3.1
243.02971	2.2
259.02481	3.9
263.55899	0.5
270.01724	5.3
271.02460	26.9
272.02740	1.2
279.11908	0.5
287.01974	15.3
287.14975	1.7
288.02448	1.8
315.01443	1.9
316.02228	79.4
317.02951	36.1
318.03375	1.2
435.18124	0.6
463.08807	100.0
464.09183	8.6
479.08261	4.1
480.08536	0.6
493.19528	3.3
529.73602	0.5
586.07751	0.6
597.57422	0.5
625.14209	4.4
625.23431	1.0
626.13849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.1
59.59656	0.3
63.02408	0.5
65.00320	1.0
66.29542	0.3
69.03428	0.3
71.01389	0.9
71.54081	0.3
72.99306	1.1
73.02951	0.5
75.00854	0.9
83.01379	0.9
85.02953	1.4
95.01412	0.3
99.00821	0.4
101.02452	0.4
107.01392	2.8
109.02959	1.7
113.02426	1.2
113.21660	0.3
121.02927	0.5
124.01668	1.2
125.02475	1.6
135.00882	0.5
136.01662	0.5
137.02443	6.1
139.11316	0.6
151.00374	12.4
152.01056	0.8
163.00383	1.3
164.01157	1.3
165.01903	0.5
169.01430	1.6
175.02592	0.4
178.99869	9.7
180.00209	0.4
181.12337	0.4
183.10307	0.4
187.04001	0.5
187.30646	0.3
189.04031	0.4
192.00667	0.7
193.01410	0.6
203.03467	0.7
204.04095	0.4
204.84006	0.3
209.11845	0.7
214.02721	3.9
215.03430	0.4
223.82854	0.3
227.03526	0.7
227.12929	0.5
231.02974	0.4
232.03810	0.5
242.02187	3.9
243.03000	1.9
249.06140	0.9
259.02432	3.6
270.01688	4.3
271.02460	25.9
272.02805	1.4
287.01984	14.3
287.14972	1.0
288.02539	1.3
299.02020	0.6
315.01440	1.7
316.02225	77.8
317.02939	36.9
318.03412	1.9
321.02435	0.4
329.03067	0.3
421.18936	0.4
435.18704	1.1
463.08804	100.0
464.02982	0.6
464.09204	9.2
479.08389	3.3
480.08459	0.5
493.19272	4.6
625.14240	4.6
625.23596	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	625.1408
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
65.00287	1.2
69.29894	6.3
69.30318	2.3
71.01370	1.1
93.07185	0.9
107.01389	1.3
109.02905	1.6
120.10603	0.9
124.01653	3.0
125.02414	3.3
137.02461	1.5
151.00343	9.2
152.01204	1.4
153.01912	2.3
163.00378	1.3
164.01155	2.0
164.33569	1.0
169.01468	4.3
178.99864	8.5
203.03690	1.0
214.02728	6.6
215.03345	0.9
227.03461	1.4
231.02882	1.0
242.02185	6.6
243.02893	3.9
255.79346	1.0
259.02417	7.8
270.01694	6.9
271.02469	43.4
272.02847	2.4
287.01950	26.7
288.02524	3.0
300.02563	1.7
301.03506	3.1
315.01401	1.3
316.02216	99.2
317.02832	17.7
463.08853	3.6
473.13065	1.3
625.14044	100.0
626.14398	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	625.141
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95812	0.5
65.00336	1.2
69.50263	0.6
69.96957	3.3
83.01403	0.9
107.01406	2.0
109.34093	0.6
116.75776	0.6
125.02437	1.8
137.02466	2.6
149.02470	0.8
151.00351	8.0
151.33305	0.7
163.00420	0.7
164.01186	0.9
165.01978	0.9
169.01492	0.9
171.04509	0.9
173.02364	0.7
175.00371	1.3
175.04050	1.0
178.99878	1.9
180.95277	0.6
187.04021	2.0
187.54042	0.5
189.02013	1.1
190.99825	0.8
193.01569	0.6
199.04018	1.6
203.03499	2.3
213.01897	0.9
215.03497	3.0
219.03055	0.6
227.03459	1.1
231.02966	1.9
236.54631	0.6
241.01494	1.7
242.02055	0.9
243.02980	4.7
244.03586	0.8
259.02466	7.0
271.02487	13.0
275.33603	0.6
286.57050	0.6
287.01959	51.5
288.02274	2.8
297.00308	0.7
299.01971	15.8
300.02689	2.8
301.03540	6.6
315.01456	98.7
316.02002	11.9
317.03000	14.8
318.03366	0.9
375.20932	0.6
462.08203	3.7
462.61142	0.7
463.08804	7.4
478.07498	32.7
479.08160	11.0
480.08789	1.0
625.14050	100.0
626.14514	13.7
626.24255	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.4
59.01379	0.9
61.70895	0.4
61.71225	0.5
61.98830	100.0
71.01381	0.8
71.55450	0.8
73.27160	0.5
78.95913	0.5
80.91689	0.8
90.69098	0.4
112.97972	0.5
125.02482	1.9
136.05319	2.1
137.02507	0.5
165.09259	0.8
169.01468	1.3
173.41621	0.5
183.11397	0.4
197.11816	0.8
384.18903	0.5
387.25220	0.5
463.34604	3.4
624.25500	0.7
624.34869	1.6
625.26398	0.7
625.36353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80075	0.6
59.01381	2.6
61.98832	100.0
70.92117	1.0
70.92455	1.5
78.91909	1.1
78.95909	3.6
101.02436	0.7
125.02448	1.8
132.93022	0.7
133.91077	0.7
136.05348	1.4
149.06104	1.0
149.57225	0.8
152.99590	4.9
165.09232	0.8
169.01445	1.6
204.52327	0.7
222.34361	0.7
223.13359	1.0
241.01170	1.6
291.19592	1.7
307.56320	0.7
311.69775	0.8
317.22876	0.8
462.33853	1.3
463.34445	4.1
539.19226	2.7
607.25043	0.9
624.25775	1.7
625.26624	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	624.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27057	0.6
59.01380	2.9
61.98830	100.0
71.01398	2.2
71.56021	1.2
75.83708	0.8
78.91901	2.4
78.95911	2.9
79.95735	5.8
80.96533	2.1
83.01422	0.8
101.02419	1.0
104.30063	0.7
113.02418	1.1
125.02460	5.1
136.05318	4.6
139.32173	0.9
149.06100	1.3
150.06837	1.0
152.99617	2.4
161.02423	1.4
165.09229	1.3
169.01476	1.2
181.98805	0.9
183.08580	0.8
185.73653	0.8
197.11829	1.6
209.11816	2.8
211.02979	0.7
225.00858	1.5
241.01320	0.9
274.03229	0.8
316.73474	0.8
461.32965	1.4
462.33273	1.6
463.34503	8.4
539.18329	1.9
554.71472	0.9
607.23511	0.9
624.25348	3.5
624.35236	1.0
625.25610	2.7
625.35986	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97039	0.7
52.41283	0.7
59.01376	11.1
61.98829	75.0
67.01878	1.2
68.02250	0.8
68.02534	8.5
69.22243	1.9
69.22652	5.1
71.01379	7.9
71.39056	0.8
72.99293	1.3
73.02942	0.9
74.25187	0.7
75.00895	0.8
79.01900	1.2
83.01373	1.7
85.02950	3.3
87.00852	2.1
88.98782	4.5
89.02451	4.0
94.54605	0.9
95.01376	2.8
96.95965	0.7
101.02457	4.0
107.01385	5.1
111.00861	2.9
113.02437	3.5
114.09225	0.7
116.07176	92.8
117.07528	1.4
119.03539	0.8
123.00884	12.9
124.01636	0.8
125.02451	21.9
126.02754	1.1
126.99568	9.6
127.00407	1.3
136.98755	1.0
139.00356	6.4
139.03987	0.8
140.01125	2.2
141.01868	1.6
151.00357	8.9
153.01880	1.4
159.02832	0.7
159.37811	0.7
165.01831	0.9
168.00616	3.7
169.01427	23.3
170.01738	1.5
173.25677	0.8
173.90244	0.9
180.00291	0.7
186.09120	0.9
211.02490	3.2
271.04599	1.4
292.19110	3.2
313.05643	2.1
317.03125	0.8
383.32755	0.7
415.12372	4.0
427.12369	0.8
444.95673	0.8
454.24335	1.0
472.25455	45.4
473.20065	3.3
473.25925	3.2
496.15735	8.5
497.15662	1.0
507.18539	5.7
525.19531	1.3
555.12463	2.3
562.26654	1.3
624.16010	32.6
624.26483	100.0
625.16736	3.2
625.26813	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	623.3432
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
52.60006	1.5
55.01873	2.0
59.01380	19.9
59.64749	1.5
64.24139	1.7
69.03478	2.6
71.01373	17.5
71.53699	3.3
73.02937	6.3
76.81502	1.5
83.01382	3.7
83.33165	1.8
85.02946	5.1
87.00876	8.0
89.02456	11.1
89.85802	1.9
91.03944	2.1
95.01376	3.3
95.05018	2.3
101.02435	15.8
106.27061	1.8
109.06570	2.6
111.08139	2.9
111.62636	1.7
113.02467	7.8
115.14632	1.4
119.03470	2.6
125.02431	3.6
135.08139	3.0
137.09654	2.6
145.05106	7.8
161.04539	4.6
179.05617	2.6
204.33835	1.7
211.13322	2.2
235.08205	14.2
237.14909	2.2
239.16542	2.4
247.13568	1.7
257.72217	1.8
280.85571	1.6
315.26907	3.6
325.25327	6.8
341.24673	6.3
343.26288	6.6
351.23184	2.3
359.25977	13.2
360.26422	2.9
369.24292	16.0
387.25375	62.1
388.25592	7.3
405.26471	52.9
406.26755	5.4
479.30191	2.4
594.84491	1.8
605.33002	1.9
623.34277	100.0
624.34631	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03445	1.9
58.00566	0.4
59.01104	0.6
59.01378	9.5
61.98832	0.5
62.28036	0.4
65.23753	0.4
67.01881	0.8
68.99815	1.0
69.03448	0.7
71.01382	9.8
72.99306	3.9
73.02937	1.4
75.00872	10.0
77.79469	0.4
83.01399	0.8
83.05034	0.4
84.02171	0.4
85.02956	10.7
87.00876	4.2
87.04512	0.6
89.02441	1.6
93.03468	0.7
95.01390	3.4
98.19900	0.6
99.00881	5.4
101.02419	0.7
101.10152	0.4
103.00366	1.2
107.01400	0.4
111.00848	1.0
113.02445	10.4
113.03249	0.5
115.00356	0.8
117.01923	1.2
121.10255	0.8
121.53912	0.4
123.00845	0.5
123.08191	0.6
125.02441	2.7
125.09740	0.6
129.01958	0.6
139.04059	0.4
139.11267	1.0
141.12827	0.6
151.00357	1.0
152.01199	0.4
153.01894	0.4
155.10774	0.6
157.12312	1.3
169.01389	0.9
169.12349	1.0
175.00357	1.3
175.02426	1.2
178.99797	1.1
185.11789	3.3
191.03459	0.8
193.01430	5.0
215.12881	7.1
216.13165	0.5
231.05064	0.4
249.06137	7.4
254.53342	0.4
257.04416	0.4
301.03558	0.5
313.23837	0.8
319.04532	3.0
325.23624	0.9
341.23346	1.1
343.24872	6.4
344.25247	0.7
353.23410	0.4
355.24777	2.4
371.24445	1.2
373.25934	32.5
374.26215	2.3
471.05515	1.3
472.06427	0.4
605.31799	1.4
623.32813	100.0
624.33148	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	623.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61547	0.6
57.03442	3.0
59.01109	0.9
59.01382	12.0
61.98814	2.1
67.01900	0.9
69.03448	0.9
69.20345	7.2
71.01382	10.4
72.99306	3.5
73.02944	2.8
75.00871	9.0
85.02946	9.0
87.00858	4.7
88.24214	0.7
88.98808	2.1
89.02448	2.6
95.01395	1.8
97.06594	3.5
99.00882	4.8
101.02460	1.4
107.01353	0.8
108.34616	0.9
111.00847	1.0
113.02455	10.7
117.01907	0.9
123.00890	1.9
125.02454	5.3
129.01921	1.1
134.05156	0.7
134.49713	0.8
137.09666	0.9
139.11284	0.9
168.00694	1.1
169.01369	5.7
171.10257	2.3
175.02441	1.6
185.11815	2.7
249.06171	7.7
257.17569	11.8
267.07217	1.0
325.23639	1.4
343.24820	4.2
355.24908	3.7
373.25925	23.0
374.26318	1.5
417.21347	2.5
427.74313	0.8
471.18765	1.4
519.32196	0.7
605.31708	3.4
623.20569	3.7
623.32898	100.0
624.33258	16.0
634.68121	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00312	0.5
51.89939	0.4
57.03447	2.2
59.01379	7.6
67.01887	0.5
68.99789	0.9
69.03447	0.8
71.00999	0.7
71.01382	9.0
72.99307	3.0
73.02938	1.5
75.00873	10.1
85.02949	10.9
87.00890	2.7
87.04512	0.5
88.98820	0.6
89.02434	2.1
93.03449	0.5
95.01389	3.0
97.06593	0.6
98.19774	1.1
99.00894	6.0
101.02404	0.8
103.00364	0.8
111.00845	0.8
113.02444	9.5
115.00350	0.9
117.01927	1.9
121.10232	1.2
125.02445	1.4
125.09705	0.5
129.01860	0.6
138.95509	0.5
139.11328	1.0
141.12857	0.7
155.10768	0.5
157.01442	0.5
157.12346	1.2
166.85497	0.5
169.01381	1.3
169.12358	0.9
175.00325	0.7
175.02515	0.8
185.11827	3.3
193.01364	2.6
213.11362	0.6
215.12871	7.2
231.05107	0.5
232.75603	0.5
249.06151	7.3
301.03540	0.5
302.37555	0.5
313.23950	0.8
319.04483	2.3
341.23166	0.8
343.24911	6.1
344.25180	0.5
355.24863	1.8
363.82193	0.4
371.24426	1.3
373.25946	29.7
374.26273	3.2
408.68274	0.5
471.19339	0.5
527.51355	0.5
536.38934	0.5
605.32001	1.5
614.79724	0.6
623.32819	100.0
624.33173	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	623.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.5
59.01373	7.9
61.98830	56.2
64.56230	1.3
69.03439	1.6
70.37546	5.5
71.01366	3.7
73.02969	1.7
73.12036	1.3
74.97064	1.3
75.00871	2.0
78.95901	52.6
81.03437	2.6
83.01397	3.2
83.05044	2.4
85.02930	2.9
93.03445	1.3
96.95996	2.5
96.96938	7.9
97.02919	2.3
97.06599	3.0
101.02457	2.2
107.66702	1.3
113.02450	3.2
121.02906	1.6
123.04578	1.8
125.02450	14.1
125.09682	5.0
135.08151	2.1
136.52769	1.5
137.09711	3.3
138.15250	1.7
149.06075	2.5
151.00441	1.5
151.04031	1.5
152.99576	58.4
161.02441	2.1
163.11263	3.9
167.03523	1.7
169.01436	11.9
170.01840	1.3
178.65572	1.3
181.12358	1.6
185.11794	3.8
191.14386	3.6
193.01353	1.6
206.75861	1.4
207.10265	6.8
209.11809	11.0
223.00172	7.5
225.11296	2.2
241.01201	20.4
244.59868	1.3
245.19070	6.1
271.04440	1.6
289.18112	13.2
295.55118	1.7
307.18961	7.3
315.04892	11.6
361.76178	1.6
387.25302	4.0
405.26309	1.7
461.32672	4.4
623.24707	100.0
623.33807	5.4
624.24762	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	623.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.4
59.01381	7.5
60.44354	1.4
61.98832	72.3
69.03433	2.1
69.40672	10.3
70.01656	1.4
71.01363	5.6
71.51022	1.4
78.95905	62.6
81.03462	2.9
83.01380	5.6
89.02442	2.6
96.96960	8.7
97.02943	3.2
97.06588	3.1
101.02448	2.5
109.02947	1.6
121.03058	2.2
123.00869	1.9
123.04519	3.0
123.08173	2.5
125.02447	18.5
125.09698	4.2
136.05313	4.1
137.02429	3.5
137.09666	2.8
142.02759	2.1
145.03006	1.6
149.06085	3.2
152.99583	62.7
153.99982	2.2
161.02419	4.7
163.11295	6.1
165.12813	2.2
169.01382	5.3
171.10208	2.2
181.12256	3.2
185.11862	5.1
191.10745	1.8
191.14426	3.9
193.01405	3.0
207.10350	7.8
209.11847	16.3
216.36755	1.4
223.00140	7.0
225.11334	2.9
235.08241	2.1
241.01157	25.6
245.19148	6.4
247.13092	2.0
267.09479	1.5
281.73383	1.6
289.18100	14.1
307.19119	10.4
315.04880	11.7
387.25381	6.3
391.48215	1.5
405.26462	4.3
461.32666	9.0
623.24768	100.0
623.34351	12.3
624.25165	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	623.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.3
57.10046	3.5
59.01103	6.1
59.01380	100.0
70.02603	15.1
71.01372	23.4
72.99309	7.6
73.02934	3.2
75.00866	23.5
85.02969	30.6
87.00851	5.6
89.02438	5.2
89.76286	3.2
95.01386	7.6
99.00869	14.2
103.00347	4.3
113.02454	25.7
117.01986	3.7
125.02464	9.8
125.10068	3.6
139.00346	3.8
169.01389	12.7
175.02562	5.0
197.57327	3.6
207.13846	6.5
225.14871	5.0
249.06099	40.5
250.06448	4.0
267.07208	20.3
309.08243	10.6
366.98740	4.4
457.20691	9.8
475.21811	57.7
501.19586	5.9
519.20728	35.4
537.21808	6.7
579.22906	70.3
580.23541	9.5
593.18573	10.2
623.20276	17.0
646.64722	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	623.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.7
59.01381	4.4
61.98820	1.2
62.72578	0.3
69.03468	1.1
69.26913	1.8
69.27344	1.3
71.01393	1.5
71.44152	0.3
72.99326	0.6
75.00856	0.6
79.01895	0.6
81.03467	1.2
83.01408	0.8
85.02956	1.5
87.00849	0.7
88.98799	0.5
95.01402	1.1
97.02949	1.2
99.00890	0.8
101.02476	0.6
105.03524	0.4
107.01390	1.1
108.02207	0.6
109.02963	1.0
111.00887	0.4
111.04511	0.4
113.02438	2.1
123.00898	1.3
124.01630	0.8
125.02448	58.9
126.02802	1.8
127.00384	0.4
136.41753	0.4
137.02432	2.5
139.00453	0.5
139.03995	1.1
151.00345	0.5
152.01126	0.6
161.02429	4.1
165.01944	1.6
166.99854	0.4
167.03528	2.1
168.00681	0.7
169.01425	100.0
170.01750	2.4
173.04572	0.4
175.04082	0.4
177.05496	0.5
179.03505	1.2
183.03021	0.9
193.01416	2.3
201.05655	0.5
203.03506	0.3
204.04102	0.4
211.02426	0.5
219.06696	0.9
221.04575	0.5
227.12819	0.4
267.07172	1.7
269.04660	1.7
287.05566	2.7
287.15103	0.7
305.06671	6.2
309.08167	0.8
319.04749	0.4
325.05753	0.6
331.04572	1.3
335.03983	4.8
457.07751	12.2
458.08002	0.9
471.09180	2.9
471.15387	1.0
519.31616	1.0
623.16803	3.2
623.32294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21118	2.2
55.28261	2.2
61.98832	100.0
67.56799	2.7
92.32034	2.1
287.60315	3.1
339.39938	2.9
381.45560	2.2
470.66287	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	623.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56728	0.7
56.26760	0.6
57.03439	2.9
59.01382	2.1
65.00336	1.0
70.72124	1.2
70.72464	1.0
71.01370	0.9
73.02937	0.6
75.72367	0.6
77.37361	0.6
83.01389	2.5
84.10527	0.6
85.02942	2.2
87.00877	0.8
88.98817	0.6
93.03411	0.7
107.01372	3.0
109.02957	1.5
113.02453	0.7
119.02106	0.7
121.02968	0.8
123.00898	1.8
124.01672	0.9
125.02449	32.7
126.02724	1.0
129.15056	0.6
137.02452	3.8
139.04010	1.9
146.11658	0.6
147.00882	2.7
147.52428	0.7
149.02420	0.8
151.00363	14.4
151.03947	0.7
152.01140	2.5
153.01938	9.7
165.01932	6.3
166.02579	0.7
167.03497	3.7
169.01404	5.5
175.00363	22.1
176.00838	0.9
178.99854	24.3
180.00165	0.8
181.01390	2.7
185.02466	0.7
185.06004	0.8
187.04007	1.1
191.03496	9.1
191.59714	0.8
193.01410	100.0
194.01724	3.3
205.04993	1.4
211.03925	0.8
213.05582	1.2
215.03461	9.7
229.05028	1.5
233.04463	2.0
239.03615	0.9
249.06281	0.7
257.04556	7.3
283.02426	1.9
285.20813	0.7
301.03513	13.5
302.03818	1.2
319.04565	78.0
320.04932	4.2
321.02411	1.9
345.02301	1.3
361.53589	0.6
373.25867	1.9
443.78268	0.8
471.05661	29.0
472.05966	3.8
623.06592	2.8
623.16626	0.6
623.32813	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	622.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
61.98828	100.0
71.01374	1.0
71.47474	0.4
73.02932	0.5
75.00878	3.9
78.95902	0.9
79.95728	0.4
85.02965	0.6
96.96000	0.5
101.02463	0.8
107.05003	0.4
123.00890	0.4
125.02420	1.8
127.36569	0.3
129.99837	0.4
152.99602	0.6
161.02477	0.9
169.01382	1.8
171.10265	0.9
262.81750	0.4
278.41678	0.3
355.92554	0.4
379.95270	0.4
387.25882	0.5
428.75342	0.4
460.31284	0.5
461.32581	0.6
623.25464	2.0
623.35162	0.5
626.79962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94768	3.3
61.98832	100.0
64.02209	2.9
68.76307	2.9
70.28081	10.8
78.70837	3.0
83.45394	2.8
86.97759	3.8
87.41460	3.9
96.39989	3.1
98.19999	3.8
115.74630	3.4
116.65701	3.2
119.40653	3.1
200.99004	3.2
222.04564	3.0
322.69827	3.2
347.71906	3.2
461.18811	9.2
462.19171	12.0
520.19928	4.3
521.20581	10.7
535.22437	5.8
536.22443	15.0
622.26459	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	622.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47115	0.4
59.01385	1.5
61.98832	100.0
71.01406	0.8
71.54267	0.7
72.99290	0.4
75.00880	3.7
76.01228	0.6
78.95916	1.6
85.02132	0.3
96.96012	0.9
101.02456	0.4
125.02384	2.5
136.05293	0.4
151.00349	0.4
152.99614	1.1
169.01445	2.3
171.10303	0.8
177.01997	0.5
213.34309	0.4
289.23788	0.4
304.84985	0.4
315.05118	0.4
358.21466	0.4
449.25378	0.6
460.31622	0.5
461.32727	0.6
623.24445	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	621.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03447	6.0
58.00589	1.2
58.88935	1.0
59.01379	28.8
60.99319	2.2
61.98826	8.0
63.01505	1.0
67.01897	1.3
68.99820	1.8
69.49313	1.2
71.01382	19.4
71.04035	1.9
71.05019	1.4
72.99300	7.2
73.02945	10.0
75.00465	1.3
75.00872	15.8
78.42578	1.0
78.95924	1.0
79.01885	1.1
80.67328	1.1
80.80547	1.1
81.03467	2.7
83.01378	5.8
83.05020	1.8
85.02950	17.8
87.00864	6.6
88.79470	1.0
88.98808	8.2
89.02440	7.8
95.01398	6.0
95.05020	1.3
96.96007	9.5
97.02946	3.1
97.06594	1.7
99.00879	8.4
101.02448	4.7
103.00365	2.0
107.01394	5.9
109.02938	3.9
111.00896	3.1
113.02439	19.4
115.00415	1.2
117.01968	2.9
119.05038	1.7
121.02932	1.4
123.00862	6.8
123.04546	2.2
124.01657	3.2
125.02443	80.4
126.02797	3.5
129.01932	1.4
137.02444	7.5
138.03142	1.1
139.00407	2.4
139.03984	2.0
140.01132	2.2
141.01924	1.2
149.02403	1.4
149.06065	1.0
151.00400	4.7
157.01453	1.4
159.03140	1.1
161.02486	6.0
163.03955	1.2
165.01894	1.6
165.05560	1.3
167.03471	3.4
168.00671	3.5
169.01421	100.0
170.01730	5.2
175.02509	1.8
175.03944	1.9
177.01953	3.2
177.04053	4.3
178.99896	1.1
179.03383	1.6
185.11803	1.7
190.02708	1.3
193.01396	1.9
199.13477	1.2
203.03552	1.3
204.04185	4.8
211.02507	5.2
219.06609	1.4
223.13431	3.1
227.16533	50.5
228.16844	3.0
231.04929	1.4
237.14998	1.4
243.02885	1.2
245.04535	2.5
249.06169	12.2
267.07263	2.5
271.04721	4.1
273.11371	2.3
282.81711	1.1
289.07571	2.1
289.10867	3.8
305.06659	11.3
317.03046	4.6
327.25525	1.5
329.05130	2.1
343.24829	1.2
355.24939	1.5
371.24365	10.2
373.25931	16.6
425.18137	1.3
451.15994	4.1
457.07672	1.6
469.16345	4.7
477.23438	16.3
517.30109	1.8
533.21240	1.4
559.18207	10.9
577.19366	9.0
577.32196	13.8
578.32556	1.6
603.17163	6.6
603.30292	2.9
621.19366	5.0
621.31390	96.4
622.24316	1.1
622.31934	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	621.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36967	2.8
57.03447	6.9
59.01378	59.0
61.98812	3.1
65.98560	2.4
68.99806	6.9
71.01379	45.8
71.52494	3.8
72.01749	2.5
72.99309	11.7
73.02956	8.7
75.00872	36.8
81.03490	3.9
82.95436	2.5
83.01385	5.5
85.02959	43.0
87.00890	19.2
88.98854	3.0
89.02444	16.2
93.03459	3.1
95.01398	9.3
96.96023	24.8
98.95604	12.1
99.00877	20.7
101.02454	10.1
103.00372	5.5
107.01398	7.0
108.02211	3.0
109.02980	7.4
111.00887	9.6
113.02443	54.2
115.00405	5.4
121.02924	4.0
122.19356	2.5
123.00860	8.5
123.04491	3.3
124.01685	3.1
125.02446	64.9
126.02785	3.8
129.01971	5.8
131.28671	2.9
137.02502	9.0
138.97365	2.4
145.02945	3.4
146.03662	3.1
147.04506	3.8
148.05302	2.8
151.00392	8.1
151.04070	2.4
157.01395	2.7
159.04639	2.6
161.02451	7.4
165.01982	4.4
166.02701	11.7
167.03485	3.9
168.00577	4.4
169.01419	64.3
170.01869	5.3
174.03209	6.3
175.02512	7.5
177.01889	2.9
179.03603	2.5
181.05017	15.7
205.05107	3.5
207.13892	2.9
217.04993	3.2
223.07863	4.5
231.05046	3.7
237.05434	3.8
239.07045	3.6
243.02957	3.2
249.06123	40.3
250.06409	3.5
251.07155	5.9
255.03062	3.1
263.07141	5.4
264.07962	4.1
265.05130	4.9
267.07138	100.0
268.07303	4.2
271.02368	7.6
277.05161	2.8
279.06702	14.4
279.10046	3.8
280.07251	6.6
282.08936	9.8
283.09747	3.9
289.07352	5.1
290.09363	2.6
294.05289	5.1
294.09033	7.2
295.06152	5.5
300.02750	15.9
308.07013	4.4
309.07748	8.8
313.05606	3.7
322.08530	5.8
323.05466	6.7
323.09299	13.6
338.07999	10.4
339.08759	4.1
341.10257	11.0
353.10318	45.6
354.11066	3.0
371.11511	2.8
417.15298	14.7
427.13901	3.3
445.15137	3.3
469.15649	3.7
485.13080	9.0
543.15619	3.2
571.14722	4.0
577.19452	4.4
585.15576	4.7
591.17169	42.3
603.17761	61.1
603.26605	4.6
604.17950	6.3
621.18195	89.1
621.29547	6.3
621.32001	6.2
622.18329	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	621.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71240	0.6
55.01862	2.3
59.01385	1.5
69.46385	1.8
69.46793	3.0
71.01386	1.7
71.19364	0.6
75.00874	29.3
89.02467	1.2
96.95967	0.8
107.01380	3.0
111.79629	0.7
120.64799	0.7
120.75273	0.6
123.00893	2.0
125.02455	25.6
126.02804	2.2
129.01956	7.2
137.02428	1.4
146.30405	0.6
147.02989	3.0
149.02466	0.7
151.00320	1.2
165.04044	100.0
166.04405	1.7
167.03435	0.8
169.01421	37.4
170.01779	2.6
177.01939	1.5
177.47566	0.7
193.05180	0.8
195.39445	0.6
237.04004	1.0
290.12445	0.7
299.04086	8.4
317.05127	39.1
318.05557	2.8
451.04761	3.6
469.06189	38.5
470.06561	3.9
546.19141	0.9
621.06848	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	621.073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
59.01369	1.3
59.96180	0.5
63.86164	0.5
69.03432	0.5
69.65749	1.7
69.66152	0.9
71.01370	1.4
72.99325	0.5
75.00868	31.5
78.23845	0.4
85.02931	1.2
89.02435	1.1
98.19884	1.0
101.02431	0.6
107.01394	3.9
117.01942	1.1
123.00887	1.9
124.01649	0.6
125.02445	24.4
126.02770	1.5
126.90095	0.4
129.01941	8.5
137.02444	1.1
139.00388	0.9
147.02972	2.8
151.00369	1.4
165.04036	100.0
166.04398	2.2
168.00595	0.5
169.01414	36.8
170.01781	2.1
177.01964	1.0
234.48994	0.5
237.04102	0.9
276.46252	0.5
299.04111	8.8
317.05127	43.0
318.05518	1.8
421.75867	0.5
451.04825	4.4
469.06168	40.5
470.06540	3.0
531.29913	0.6
585.14752	0.8
590.48834	0.6
612.34644	0.5
621.06610	5.4
621.27075	0.7
622.07452	0.6
638.96161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18845	2.6
61.98830	100.0
69.44702	21.2
70.54755	2.8
78.95906	9.2
90.87223	2.7
98.19884	5.1
104.40774	3.0
470.05844	3.0
516.24213	3.9
637.55737	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	620.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.4
61.98831	7.7
69.20967	0.7
69.90399	2.5
71.01381	2.4
85.02962	1.7
89.02422	1.4
91.12344	0.7
95.01381	1.3
101.02398	1.2
107.01368	3.1
109.02940	0.9
111.00876	1.9
113.02431	1.7
119.05045	1.2
123.00893	8.9
124.01622	0.7
125.02449	36.9
126.02795	3.8
136.98819	1.0
137.02412	1.6
139.00359	4.4
139.04056	0.8
140.01123	2.2
141.01939	1.5
151.00359	6.5
153.01897	0.9
153.05579	1.2
161.02354	1.2
162.02728	0.8
167.03485	2.2
168.00626	5.9
169.01418	45.8
170.01778	8.5
171.01895	1.0
177.01839	0.8
178.44388	0.8
193.01537	0.9
211.02448	11.4
213.61403	0.7
271.04538	11.6
275.44510	0.8
305.06641	2.0
306.07202	1.8
313.05753	1.9
399.40216	0.7
451.10712	0.8
457.07532	1.0
458.08014	1.9
468.12500	2.3
469.10907	1.5
533.06934	0.7
557.22345	100.0
558.22797	12.5
572.75183	0.8
620.13495	13.8
621.13092	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	619.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95673	0.7
53.07464	0.7
59.01379	4.0
60.99308	18.2
61.98853	0.7
69.76229	2.7
69.76649	1.0
71.01376	1.0
73.41400	0.8
87.00858	0.7
87.44798	0.7
88.00396	2.8
88.98809	100.0
89.01917	1.5
89.02442	18.3
89.99158	0.8
101.02457	1.2
125.02444	2.4
169.01379	2.0
197.11806	2.2
253.09340	3.0
296.36002	0.8
323.22281	13.9
444.92062	0.8
578.55688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.4
60.99306	16.0
61.98825	1.7
64.99188	0.7
65.19718	0.7
69.44714	0.7
70.09488	2.5
71.01389	0.9
72.60815	0.6
87.00871	1.2
88.00403	2.0
88.98806	100.0
89.02442	17.2
89.99160	1.1
98.19913	0.9
101.02446	1.1
118.73831	0.7
125.02438	2.2
133.46152	0.7
137.02432	0.7
165.46204	0.7
169.01424	2.8
197.11858	2.9
204.70915	0.7
213.14990	0.7
253.09320	5.0
303.45642	0.8
323.22266	16.2
324.22791	0.8
328.39664	0.8
467.17358	0.8
580.56372	0.8
619.31848	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	619.2561
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.32082	1.0
60.42602	1.0
65.42689	1.1
78.95905	1.1
94.03374	1.1
98.20659	3.0
101.02435	1.1
159.42799	1.4
169.90306	1.0
179.74249	1.1
199.60384	1.2
229.63727	1.6
334.02185	1.1
340.89954	1.3
401.14066	3.2
415.15378	3.5
416.16492	13.2
417.16702	1.7
429.17053	2.0
430.17963	3.1
432.27560	1.2
444.15833	1.3
445.16147	2.0
459.18228	100.0
460.18710	11.7
473.19897	17.2
474.20148	6.0
487.17651	1.8
503.17181	2.6
517.18933	2.0
518.19586	54.5
519.20068	6.4
532.20911	10.3
533.21930	93.0
534.22375	10.7
534.72882	1.3
543.20447	1.5
587.23364	6.5
619.25574	75.8
620.25909	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	619.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	6.8
66.48180	2.0
70.22773	2.0
77.31813	2.2
82.86827	2.1
199.56657	2.4
215.07901	2.3
301.00656	2.0
353.81897	2.4
381.85800	2.3
401.13953	3.0
415.15857	3.3
416.16394	14.4
444.15970	3.0
459.18222	100.0
460.18784	12.7
473.19724	18.1
474.20679	4.3
501.19293	2.4
503.17163	2.9
518.19543	46.1
519.19781	3.8
532.21289	9.1
533.21912	97.3
534.22522	12.6
561.01465	2.4
587.22845	9.0
619.25580	79.4
620.25677	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	619.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.9
59.01377	2.2
61.98820	1.0
65.00348	0.5
67.01892	0.9
69.03454	2.8
69.46496	0.9
69.46902	2.3
71.01393	3.4
72.99308	1.6
75.00874	5.3
79.01895	0.9
81.03468	0.7
83.01391	1.4
85.02955	2.2
85.94153	0.4
86.25609	0.4
87.00896	0.8
89.02409	0.6
93.03468	0.5
95.01376	2.7
97.02953	2.9
99.00887	1.8
101.02464	1.4
107.01391	11.2
109.02979	0.5
110.00126	0.5
111.00869	3.4
113.02458	1.2
121.01526	0.5
123.00888	13.1
124.01682	2.7
125.02446	62.1
126.02802	1.2
127.00404	1.0
129.01932	0.8
136.98825	2.0
137.02443	1.4
138.03238	0.8
139.00388	6.3
139.04019	0.9
140.01166	5.3
141.01932	2.2
149.02518	0.8
150.92821	0.4
151.00365	3.8
153.01939	0.8
159.03059	2.1
163.04066	0.5
165.01944	1.1
166.99849	2.8
167.03378	0.5
168.00629	8.8
169.01422	80.7
170.01767	2.9
175.03955	0.5
177.01837	0.9
177.04045	9.3
179.03426	0.6
181.01442	0.8
190.99803	0.5
193.01445	0.9
193.61458	0.4
207.02885	0.4
209.00983	2.2
211.02466	4.4
222.48004	0.4
222.80074	0.5
223.02466	0.6
227.02071	0.9
257.55429	0.4
267.05048	0.5
271.04672	0.7
295.04489	1.0
311.04083	6.1
312.04709	0.5
313.05719	2.6
318.34207	0.5
329.05133	9.7
330.05539	0.8
438.39203	0.4
465.06552	0.9
467.19211	2.0
481.06219	18.5
482.06622	1.3
619.20276	100.0
620.20569	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	619.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.1
57.17754	0.6
59.01378	2.8
61.98834	4.3
69.03449	2.1
69.18828	6.3
71.01373	3.8
72.99302	2.3
74.91221	0.6
75.00869	2.2
79.01899	0.7
81.03428	0.7
83.01391	0.6
85.02946	3.1
89.02451	1.3
95.01402	1.8
97.02942	2.1
99.00873	1.9
101.02422	1.0
107.01383	12.8
109.02928	1.2
111.00898	3.0
113.02429	1.0
115.88057	0.8
123.00889	7.2
124.01656	1.6
125.02440	70.7
126.02830	1.3
127.00406	0.9
129.01918	1.9
136.83464	0.6
136.98820	1.2
139.00369	5.0
139.56435	0.6
140.01138	2.9
141.01978	1.0
149.02452	0.8
151.00354	5.8
153.01982	0.8
159.02934	1.2
161.02403	0.6
166.49203	0.6
167.03526	0.8
168.00639	6.2
169.01410	90.6
170.01749	2.4
171.10306	0.9
177.01883	0.7
177.02386	0.7
177.04016	7.2
193.01317	0.8
209.11925	0.9
211.02432	1.3
311.03952	1.1
329.05103	6.6
467.19186	14.9
468.19647	1.4
481.06113	7.2
580.26654	0.7
586.83313	0.8
619.20270	100.0
620.20599	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	619.13
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13499	1.0
57.03463	1.5
59.01386	7.0
61.98817	1.7
67.01904	1.6
69.03474	1.4
69.88368	2.8
69.88763	2.0
71.01372	6.6
72.99302	3.5
75.00880	1.8
79.01863	1.4
83.01391	1.1
85.02971	5.4
87.00861	1.5
88.98814	2.3
89.02451	3.0
91.85764	1.1
95.01391	4.7
96.43520	1.1
96.96053	2.6
97.02922	3.3
101.02454	3.1
107.01389	11.5
109.02976	1.9
111.00870	2.9
113.02461	7.3
116.92902	1.2
123.00891	8.6
123.04536	3.2
124.01693	1.5
125.02448	70.2
126.02814	1.7
127.00396	3.0
136.98849	1.4
137.02431	2.4
137.33763	1.1
138.03214	1.8
139.00343	4.4
139.04051	1.6
140.01152	3.2
151.00404	8.2
152.00998	1.2
153.01968	2.7
153.05589	8.9
161.02396	1.4
161.90359	1.1
165.05568	1.5
168.00648	5.9
169.01430	100.0
170.01755	2.8
177.01973	2.7
183.02951	2.2
189.04047	2.0
193.01451	1.9
211.02533	5.2
239.39478	1.1
241.03583	1.4
249.06212	1.2
267.12341	1.3
271.04578	3.4
305.06714	11.7
305.42480	1.2
313.05658	17.2
332.81442	1.0
392.22031	1.2
449.06836	5.4
452.63068	1.1
467.12027	52.2
468.12341	3.5
483.07892	5.0
539.21185	1.3
583.13519	1.8
619.13062	59.9
619.29242	9.0
620.13196	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	619.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.3
65.82527	0.6
67.01878	1.4
68.06602	0.6
69.03427	2.0
70.73413	1.4
70.73758	1.0
71.01370	2.7
72.99310	0.8
73.02915	1.1
79.01883	0.7
81.03439	1.2
83.01372	0.8
85.02940	2.0
87.00829	1.3
89.02432	0.7
93.83544	0.6
95.01373	2.3
96.96014	0.7
97.02942	2.0
98.02424	0.6
101.02422	1.8
107.00709	0.9
107.01392	12.5
108.02242	3.1
109.02956	1.4
111.00880	2.7
113.02434	1.9
121.02953	1.2
123.00886	9.0
123.04524	20.7
124.01690	3.1
125.02447	76.8
126.02785	2.3
127.00413	1.2
136.98793	1.0
137.02493	0.7
139.00346	4.7
140.01160	3.8
143.03569	0.7
151.00380	6.4
151.04048	0.8
151.72258	0.6
152.01199	4.0
153.01927	2.0
153.05577	27.5
165.05626	1.0
166.99719	1.3
167.03502	1.0
168.00644	7.8
169.01422	97.6
170.01762	3.1
179.03502	0.8
181.01418	0.7
193.01363	0.7
193.04980	0.9
193.98560	0.8
194.99367	1.0
211.02464	1.6
223.02475	0.9
237.04065	1.4
253.03561	1.4
271.04779	0.8
273.46329	0.7
295.04663	2.9
297.06042	1.3
306.55771	0.6
313.05630	17.3
314.06061	1.3
405.05414	0.7
423.09360	1.2
445.17047	0.7
449.06955	1.3
465.06656	3.0
467.12286	13.1
468.12579	0.9
556.21344	0.7
575.10522	1.3
584.84052	0.8
601.08942	0.9
619.13129	100.0
620.13422	14.5
637.64874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27526	0.6
67.01881	0.9
69.03448	1.2
70.82726	2.0
71.01385	2.4
72.51369	0.7
83.01376	0.8
95.01421	1.1
97.02962	1.7
101.02434	2.1
107.01390	7.8
108.96033	0.6
111.00878	2.0
113.02460	1.2
121.02981	0.9
123.00892	8.2
123.04531	19.2
124.01656	2.8
125.02443	58.9
126.02792	1.9
136.98822	0.7
139.00383	4.0
140.01157	2.7
141.01930	1.1
151.00372	5.1
153.01964	0.8
153.05568	19.8
166.99847	1.5
168.00677	5.1
169.01421	75.9
170.01758	1.7
193.01334	1.0
236.37045	0.8
237.03894	2.0
253.03577	1.2
265.57861	0.7
295.04630	3.0
313.05673	12.4
449.10883	1.4
465.06497	2.3
467.11935	10.7
553.27002	0.8
619.13031	100.0
620.13342	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	619.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26340	0.4
57.03428	1.7
59.01363	1.2
61.98824	2.7
67.01871	1.0
69.03445	1.2
71.01369	1.6
71.54944	0.7
79.01884	0.8
81.03462	0.8
83.01391	1.1
85.02974	1.2
87.42628	0.4
93.03435	0.5
95.01383	1.9
96.96031	0.9
97.02935	1.3
101.02425	0.7
105.03479	0.6
107.01389	5.0
108.02184	1.0
109.02949	1.9
111.00900	1.1
113.02451	0.7
123.00877	5.0
123.04522	1.2
124.01675	2.1
125.02445	66.2
126.02770	1.6
133.02892	0.5
135.04491	0.6
136.98839	0.5
137.02464	2.5
139.00331	2.2
139.03979	1.6
140.01183	2.4
149.02379	0.7
151.00352	3.9
151.04016	0.7
152.01102	1.2
153.01917	1.5
153.05565	1.8
161.02440	4.6
162.03255	0.4
164.01212	0.4
165.01927	1.2
166.02737	0.5
166.99876	1.3
167.03488	3.9
168.00633	3.8
169.01421	100.0
170.01689	2.4
175.03970	0.7
177.05614	1.1
179.03496	1.0
191.03584	0.5
193.01422	1.6
197.99388	0.5
211.02444	2.9
219.06705	0.9
245.10258	0.5
269.04559	1.0
271.04605	2.5
285.03912	0.5
287.05524	2.5
297.06229	1.0
305.06662	5.7
306.06937	0.7
313.05682	5.5
315.07291	0.7
319.04568	0.6
331.06757	1.9
457.07712	10.9
457.13644	0.9
465.06845	1.6
467.12653	5.1
531.14581	0.5
556.21222	1.2
557.22314	19.3
575.14160	1.4
619.13116	33.4
620.13000	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	619.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43601	0.5
54.56046	0.4
57.03442	2.5
59.01378	1.0
66.30743	0.4
69.03444	2.4
70.67294	1.4
71.01386	0.9
73.85098	0.5
78.90430	0.5
79.01920	0.8
81.03467	1.8
83.01409	1.3
95.01364	1.3
95.05004	0.7
96.96011	1.1
97.02951	1.5
107.01377	1.5
108.02149	0.6
109.02943	2.5
109.27347	0.5
111.00899	0.7
111.04552	0.5
113.02520	0.5
121.02959	0.7
123.00917	3.9
124.01648	2.3
125.02445	87.9
126.02771	2.2
132.02136	0.8
136.78932	0.5
137.02437	8.2
138.03206	1.2
139.00342	0.6
139.04039	3.2
139.05080	0.7
149.02438	2.8
151.00337	1.2
151.04030	1.0
159.04468	0.8
160.01651	1.3
161.02431	6.0
164.01147	1.9
165.01915	5.6
166.02663	0.6
166.99855	0.8
167.03481	11.1
168.00667	1.6
169.01422	100.0
170.01796	2.5
175.03973	1.5
176.04742	0.7
177.01938	2.4
177.05554	1.3
179.03476	3.6
183.04570	0.6
185.06180	0.5
193.01425	10.6
201.05548	1.5
203.03517	0.9
205.01416	1.2
205.05118	0.6
219.06609	3.2
221.04596	1.8
223.27690	0.5
225.05563	1.8
243.06584	1.6
245.04576	0.7
257.04517	1.3
261.07706	2.7
269.04538	4.8
275.05597	1.2
287.05280	2.6
289.07184	1.2
305.06647	10.0
313.05768	0.7
319.04675	2.0
323.85660	0.5
329.08701	0.8
331.04236	5.5
331.06842	9.4
414.44370	0.6
437.10666	1.3
439.35840	0.5
449.10852	3.3
457.07785	7.5
467.12015	17.3
468.12073	1.2
481.10098	4.0
575.13977	0.8
619.12988	18.7
620.12878	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	619.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02297	0.8
54.36334	0.8
59.01386	8.9
61.98789	1.6
67.01884	1.5
69.03444	1.7
69.46331	1.5
69.46748	4.9
69.65704	0.8
69.76189	0.8
71.01377	10.1
72.99300	1.2
73.02915	1.3
75.00841	1.4
79.01875	1.3
81.03430	1.5
83.01389	0.9
84.93580	0.8
85.02911	3.7
85.35037	0.9
87.00819	1.9
89.02453	4.4
95.01384	4.5
96.95934	1.3
97.02893	2.5
101.02479	5.0
101.02972	1.3
107.01389	11.4
108.02182	11.9
109.02973	6.6
111.00830	2.9
113.02438	5.0
116.92808	3.0
119.03432	1.5
123.00893	14.0
123.04454	3.2
124.01616	3.5
125.02446	74.0
126.02690	1.9
127.00335	1.2
135.04550	5.4
136.98749	2.1
137.02400	1.8
139.00346	6.3
140.01135	4.6
141.01855	1.9
143.03452	1.1
149.02353	1.6
150.03191	0.9
151.00375	9.3
152.01154	9.7
153.01932	11.0
153.05496	1.2
155.60918	0.9
163.03926	1.3
165.03975	1.7
165.05370	1.1
166.99776	2.0
167.03458	1.4
168.00668	6.7
169.01424	100.0
170.01631	3.1
177.01846	1.5
179.03462	1.8
193.01270	3.9
203.76082	0.8
211.02454	8.3
223.02362	1.8
241.03387	1.3
253.03377	1.3
267.07169	1.0
271.04337	2.5
295.04388	3.2
297.06186	4.2
297.08926	1.5
313.05615	26.6
314.05698	1.4
315.10684	2.3
458.12476	1.1
465.06723	37.2
466.06677	3.0
467.11322	10.8
575.10187	6.7
576.10492	1.0
619.09644	94.9
620.10181	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	619.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02297	0.8
54.36334	0.8
59.01386	8.9
61.98789	1.6
67.01884	1.5
69.03444	1.7
69.46331	1.5
69.46748	4.9
69.65704	0.8
69.76189	0.8
71.01377	10.1
72.99300	1.2
73.02915	1.3
75.00841	1.4
79.01875	1.3
81.03430	1.5
83.01389	0.9
84.93580	0.8
85.02911	3.7
85.35037	0.9
87.00819	1.9
89.02453	4.4
95.01384	4.5
96.95934	1.3
97.02893	2.5
101.02479	5.0
101.02972	1.3
107.01389	11.4
108.02182	11.9
109.02973	6.6
111.00830	2.9
113.02438	5.0
116.92808	3.0
119.03432	1.5
123.00893	14.0
123.04454	3.2
124.01616	3.5
125.02446	74.0
126.02690	1.9
127.00335	1.2
135.04550	5.4
136.98749	2.1
137.02400	1.8
139.00346	6.3
140.01135	4.6
141.01855	1.9
143.03452	1.1
149.02353	1.6
150.03191	0.9
151.00375	9.3
152.01154	9.7
153.01932	11.0
153.05496	1.2
155.60918	0.9
163.03926	1.3
165.03975	1.7
165.05370	1.1
166.99776	2.0
167.03458	1.4
168.00668	6.7
169.01424	100.0
170.01631	3.1
177.01846	1.5
179.03462	1.8
193.01270	3.9
203.76082	0.8
211.02454	8.3
223.02362	1.8
241.03387	1.3
253.03377	1.3
267.07169	1.0
271.04337	2.5
295.04388	3.2
297.06186	4.2
297.08926	1.5
313.05615	26.6
314.05698	1.4
315.10684	2.3
458.12476	1.1
465.06723	37.2
466.06677	3.0
467.11322	10.8
575.10187	6.7
576.10492	1.0
619.09644	94.9
620.10181	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	618.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09158	0.6
55.01856	0.9
57.03434	1.0
59.01380	7.1
61.98833	5.6
68.99829	0.8
69.03448	2.5
69.46059	1.2
69.46472	3.5
70.18964	0.6
71.01383	5.7
72.99281	1.2
73.02938	2.0
75.00868	1.2
79.01845	0.9
83.01380	1.1
85.02932	3.4
87.00852	1.0
87.13408	0.6
88.98770	0.9
89.02428	0.9
95.01379	2.6
96.96007	8.4
97.02932	2.0
98.19920	1.6
99.00871	1.3
99.04494	0.9
101.02426	2.3
107.00716	0.8
107.01392	9.0
109.02941	1.7
111.00893	1.5
113.02423	3.0
121.02988	0.9
121.87605	0.7
122.03727	5.1
123.00862	7.3
124.01620	2.6
125.02451	75.2
126.02779	2.2
137.02492	3.7
139.00398	3.6
140.01126	2.2
141.01845	0.9
143.03491	2.0
145.02940	0.8
149.02383	0.7
151.00389	5.0
151.04025	0.8
152.03534	47.0
161.02368	1.8
165.01904	3.1
166.02269	0.7
166.99840	1.2
167.03467	1.2
168.00638	3.8
169.01425	85.9
170.01743	2.7
175.03996	0.6
177.01878	1.5
178.99832	0.7
179.03474	1.7
180.04306	1.4
181.08583	1.0
191.03447	0.9
193.01375	1.2
195.06595	2.1
211.02377	1.5
223.02344	0.9
225.07594	1.3
237.04018	0.8
241.03542	1.1
244.07693	0.7
253.03465	1.3
295.04495	2.6
313.05609	19.9
314.05792	1.4
373.25836	1.0
405.04547	0.9
448.08771	1.3
465.06754	11.3
466.10046	7.7
469.21988	0.8
535.33838	0.7
570.23889	0.9
617.28235	2.1
618.10913	100.0
618.27893	2.7
619.11353	11.8
638.59662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90215	0.7
59.01390	4.4
59.01643	0.7
59.02011	0.8
67.01883	0.8
70.87804	0.8
71.01399	4.6
71.01741	0.8
71.52957	1.2
73.02947	0.9
79.01833	0.9
83.01368	1.0
85.02958	1.8
85.69427	1.0
89.02428	1.6
95.01354	1.1
95.36179	0.7
97.02923	1.0
101.02437	2.1
107.01393	7.9
111.00863	2.0
113.02460	1.4
114.31952	0.8
115.86586	0.8
123.00889	7.1
124.01669	2.0
125.02450	42.8
127.00335	1.0
137.02420	1.7
139.00359	3.0
140.01152	1.2
141.01874	1.1
149.02405	0.9
151.00375	4.9
151.06024	1.3
153.01959	1.5
167.03516	0.9
168.00668	4.4
169.01425	56.5
170.01764	2.4
191.03589	1.0
193.01384	1.1
193.05084	0.8
211.02411	6.4
237.04112	1.0
264.61993	0.9
271.04575	8.1
279.83737	0.8
285.04037	1.1
295.04556	1.6
308.56168	0.7
313.05545	6.3
370.88525	0.9
447.11575	2.2
465.06744	1.1
465.12589	13.6
599.10602	1.0
617.13623	100.0
618.13910	11.6
633.57678	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11123	0.7
59.01371	3.3
71.01380	3.8
71.54922	1.3
73.02949	1.5
83.01394	0.9
85.02963	1.5
87.00878	1.8
89.02438	2.7
95.01399	1.0
96.95999	1.3
97.02910	1.4
99.00874	0.8
101.02460	2.3
107.01390	9.8
111.00858	1.6
113.02472	1.6
123.00883	7.1
124.01620	1.4
125.02449	39.2
126.02771	1.2
136.98790	1.6
139.00394	4.1
140.01176	1.7
149.02487	1.0
151.00381	4.7
151.06177	0.9
153.01950	1.0
161.02435	0.8
166.02724	0.8
167.03526	0.8
168.00632	5.0
169.01416	53.8
170.01781	2.0
175.03995	0.7
175.27589	0.7
177.01933	1.1
179.03444	0.7
193.01407	1.7
211.02426	5.7
235.02161	0.8
237.04034	1.1
239.77336	0.8
241.14001	0.8
242.92728	0.8
253.03639	1.0
271.04602	9.0
275.41156	0.8
285.04016	1.6
291.08618	0.7
313.05597	5.1
447.11584	2.3
465.06436	1.6
465.12421	14.6
617.13605	100.0
618.13885	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	617.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05381	0.6
57.03436	0.7
59.01378	5.0
61.98826	5.6
63.99258	0.9
67.01881	1.0
69.03448	1.5
71.01376	3.1
72.99310	0.7
73.02930	0.8
75.00869	2.7
78.95916	0.5
79.01884	0.9
81.03456	1.1
83.01406	1.4
85.02946	3.1
87.00892	0.8
89.02414	0.9
93.03448	0.9
95.01365	2.3
96.96017	5.2
96.96963	0.5
97.02940	2.2
99.00887	1.0
101.02425	1.2
105.03436	0.5
107.01393	2.4
108.02161	4.8
109.02219	0.7
109.02948	12.6
112.98814	0.7
113.02467	3.8
119.04946	0.5
121.02952	1.6
123.00887	4.1
123.04519	10.3
124.01669	1.5
124.04859	0.6
125.02442	59.8
126.02774	1.7
133.02931	1.8
134.03728	1.1
135.00929	0.6
135.04510	1.1
137.02473	2.3
139.00388	1.6
139.04028	0.7
140.01164	0.9
145.02972	2.8
146.03703	0.5
147.04500	1.2
149.02431	1.8
149.06090	0.6
150.03250	1.0
151.00349	2.3
151.03992	9.8
152.04329	0.6
159.04448	1.2
160.01698	1.6
161.02406	1.9
163.04001	0.7
164.01112	0.7
165.01906	1.1
166.99852	3.7
168.00633	2.1
169.01416	100.0
170.01765	3.4
171.10248	1.3
175.03966	2.3
176.01204	0.7
176.04681	0.9
177.01920	18.6
178.02280	0.7
182.62828	0.5
187.04028	3.2
188.04726	1.2
189.01930	16.7
189.03658	1.0
189.05551	0.6
190.02676	5.5
191.03467	2.1
193.01425	13.0
201.05495	0.8
203.03485	1.9
203.07115	0.6
205.01477	0.5
205.05052	0.8
209.11812	0.9
216.00645	3.1
216.04147	0.7
217.01399	14.3
218.02097	1.9
219.02974	4.7
222.01718	1.1
227.07153	0.9
229.08708	1.3
231.02930	4.4
240.04272	0.8
244.03706	1.3
245.08160	0.7
249.05901	0.5
253.05142	1.2
254.05710	0.5
257.04666	0.7
259.06009	4.1
267.06891	0.6
269.07770	0.7
270.05362	1.5
271.06110	4.8
275.05637	1.4
279.06586	0.9
280.03766	0.6
281.04568	4.9
282.05084	1.0
285.04010	0.7
286.05026	1.0
289.07156	2.5
297.04218	0.8
297.07666	3.1
299.05753	0.6
301.03958	0.5
301.07156	11.2
303.05109	4.9
313.07162	4.2
314.07758	0.6
317.03122	0.8
318.03351	0.9
319.03690	1.1
323.05542	4.1
337.06750	0.7
341.06631	50.1
342.07208	3.5
355.08234	3.1
356.08246	0.6
390.57272	0.5
403.11304	0.5
447.10855	4.6
448.11200	0.8
465.11865	50.7
466.12158	5.5
507.09198	3.5
617.12732	4.4
617.28186	8.4
618.13318	0.6
618.29236	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	1.1
57.03425	1.2
59.01111	0.8
59.01385	10.2
61.25876	0.8
61.98823	11.0
65.00320	1.1
67.01882	1.6
69.03445	3.0
69.48391	4.5
69.48798	1.5
71.01382	6.0
72.99310	1.3
73.02942	2.2
75.00861	1.8
79.01861	0.8
81.03403	1.3
81.18991	0.8
83.01376	1.6
83.05010	0.9
85.02942	3.0
85.05719	0.9
87.00866	1.2
89.02444	2.7
89.03959	1.4
89.35698	0.9
93.03478	1.2
95.01394	2.7
95.05019	1.5
96.96027	5.5
97.02927	3.6
99.00882	1.2
101.02430	2.4
107.01382	3.2
108.02186	10.0
109.02957	17.1
111.00868	1.7
113.02412	3.9
117.03474	1.3
119.05003	2.3
121.02899	2.0
123.00874	5.3
123.04523	15.5
123.08124	0.9
124.01639	1.7
125.02449	63.8
126.02776	3.2
133.02971	4.1
135.04475	1.1
137.02438	4.8
139.00400	1.6
139.04008	1.7
140.79544	0.9
145.02959	7.6
147.04535	2.8
149.02425	3.1
150.03177	2.6
150.99307	0.8
151.00395	5.0
151.04010	6.2
159.04517	1.8
160.01575	2.0
161.02441	4.1
163.03970	1.4
164.04803	0.8
165.02000	1.0
165.05568	1.2
166.99818	4.9
167.03508	1.4
168.00606	2.6
169.01422	100.0
170.01765	4.0
171.10275	11.2
175.03946	4.5
176.01169	1.9
177.01929	42.0
178.02229	2.2
178.99826	2.0
181.08694	0.8
187.03993	3.7
188.04745	1.1
189.01932	36.8
190.02647	8.3
191.03482	8.6
193.01431	7.0
195.06607	0.9
201.01883	2.8
203.03554	4.5
209.11845	10.0
216.00624	6.6
217.01402	30.6
218.01981	3.5
219.02933	11.1
227.12837	2.1
230.29059	0.8
231.03008	10.1
232.03523	1.2
233.04527	1.3
241.05026	0.9
245.08147	0.9
249.06104	1.5
251.12932	0.9
253.04980	0.9
258.96890	0.9
259.06046	3.2
267.06964	2.0
271.02942	0.8
271.06158	4.9
275.05328	1.2
278.48007	1.0
281.04471	4.1
285.04016	1.4
287.05743	1.0
289.07098	3.6
297.04117	1.7
297.07654	2.2
301.03906	1.4
301.07162	11.1
303.05154	1.3
313.07144	4.4
317.02960	6.9
318.03360	4.5
319.03442	3.8
322.04822	2.0
323.05597	19.3
324.06027	1.0
337.07217	6.4
341.06644	71.4
342.07022	4.5
355.08261	6.0
447.10837	9.4
448.11093	1.2
463.09747	1.0
465.11871	99.9
466.12250	11.6
491.09802	1.2
507.09390	2.8
554.19238	1.4
590.09821	0.9
617.11035	4.9
617.27979	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	617.1139
Annotation	Taxillusin
Peak:m/z	Relative Intensity
56.59975	1.3
59.01375	7.8
65.00329	1.5
69.03445	2.9
69.32301	11.2
69.79784	1.5
71.01366	4.7
73.02953	1.8
75.00878	1.6
78.98514	1.3
83.01382	2.9
85.02947	5.1
87.00876	2.7
89.02455	2.4
93.03436	2.0
96.95988	7.0
97.02924	3.8
99.00848	2.1
107.01381	13.3
109.02937	2.1
111.00850	2.0
113.02432	5.4
123.00851	5.9
123.04541	2.5
124.01637	2.6
125.02444	92.8
126.02721	2.1
128.88148	1.5
136.98845	1.5
137.02406	4.5
138.02747	1.4
139.00333	4.3
140.01143	3.5
151.00348	12.9
151.03998	4.1
152.00626	1.4
159.23750	1.5
165.01892	2.3
167.03496	3.4
168.00560	4.3
169.01422	100.0
170.01744	4.0
177.01895	2.2
178.99817	3.2
193.01234	1.7
211.02379	1.8
281.08698	1.7
295.04807	1.6
300.12708	1.5
313.05603	12.7
316.02121	1.6
317.02914	13.0
318.03287	8.1
319.03522	8.9
465.10767	15.6
555.15009	2.0
573.29077	3.9
617.11261	86.4
617.25751	8.5
618.11621	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	617.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71103	0.6
57.03436	1.3
59.01385	7.4
61.98830	9.7
65.00333	1.3
67.01891	0.8
68.99810	0.9
69.03457	2.3
71.01382	6.0
71.53803	1.1
72.99302	1.6
73.02947	1.7
75.00875	1.5
79.01885	1.1
81.03451	1.5
83.01390	1.3
83.05032	0.7
85.02953	3.3
88.98784	0.8
89.02413	1.3
91.01895	0.9
93.03499	1.2
95.01375	2.6
95.05041	1.8
96.96008	4.4
97.02966	2.5
97.85397	0.6
99.00915	1.7
99.04514	0.7
101.02438	2.3
107.01392	3.1
107.05006	0.8
108.02193	9.6
108.53050	0.6
109.02953	15.7
111.00949	1.3
112.98843	0.6
113.02444	2.2
113.06139	0.8
113.35139	0.6
116.92879	1.0
118.15310	0.6
119.05042	1.9
121.02947	1.4
123.00906	5.4
123.04523	15.2
124.01684	1.2
125.02448	62.8
126.02767	2.4
133.02957	4.7
135.04550	0.8
137.02429	2.4
139.00366	1.5
139.03983	2.3
140.01122	1.1
145.02954	9.3
147.04533	2.4
148.01656	0.7
149.02478	3.7
150.03203	3.5
151.00363	2.9
151.04005	6.3
159.04469	1.5
160.01672	3.3
161.02501	3.8
161.04622	0.9
161.06050	0.8
165.01884	1.8
165.05574	1.7
166.99826	4.0
167.03482	2.2
168.00571	2.4
169.01424	94.4
170.01733	2.8
171.10275	11.4
175.04027	4.7
176.01183	1.5
177.01926	40.8
178.02318	0.8
178.99872	1.3
187.03996	2.2
189.01927	40.0
190.02650	9.2
191.03465	8.2
193.01425	7.8
195.06717	1.1
201.01913	3.4
203.03467	6.4
209.06146	0.8
209.11800	8.2
211.02441	1.0
211.09772	1.6
213.05522	0.8
216.00642	8.0
217.01416	32.1
218.01949	3.8
218.05714	0.8
219.02979	12.1
227.07057	0.8
227.12938	0.9
229.01457	0.7
229.08658	0.7
231.02960	9.9
231.05098	1.0
232.03694	0.9
233.04430	1.0
243.02962	0.8
244.03490	0.9
249.06134	1.0
253.04971	1.0
259.06110	2.7
267.07141	2.3
271.06329	4.0
273.07578	0.8
275.05658	1.7
277.05219	0.8
281.04510	2.0
285.04059	0.9
289.07217	3.1
297.04034	1.8
297.07770	1.9
299.05563	0.9
301.04013	1.1
301.07199	11.3
303.04910	1.0
313.07230	5.9
317.02957	4.8
318.03284	2.5
319.03680	2.2
322.04773	2.2
323.05594	17.6
324.05887	1.2
337.07056	6.6
341.06656	66.9
342.06958	5.5
355.08170	6.0
373.26175	0.9
447.10733	10.5
448.11325	1.4
461.41409	0.8
465.11893	100.0
466.12219	9.3
467.09958	1.4
491.09860	1.4
496.64182	0.8
507.09268	3.7
517.19226	1.2
569.24152	1.4
573.29114	1.7
599.22046	1.0
617.11224	5.0
617.20563	1.5
617.27850	3.2
619.70905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.115
Annotation	Taxillusin
Peak:m/z	Relative Intensity
51.25444	1.3
57.03444	7.8
59.01357	2.7
61.98811	5.4
62.57569	1.0
65.00307	4.1
67.55132	1.2
68.32035	1.2
69.03436	2.3
69.48037	8.6
71.01366	4.9
81.03471	1.8
83.01357	4.2
85.02924	2.1
86.87595	1.5
95.01378	1.5
96.95973	5.4
97.02949	3.4
101.02381	2.8
107.01398	15.0
109.02939	2.3
111.00866	2.5
111.63375	1.3
113.02424	2.8
121.02950	2.2
123.00880	8.4
123.04502	4.1
124.01624	2.5
125.02448	100.0
126.02756	2.7
127.00360	1.9
133.02946	3.5
135.04491	2.6
136.98730	1.5
137.02432	7.3
139.00308	3.3
139.03970	2.0
140.01105	3.4
147.04512	1.6
149.02422	6.4
150.03146	4.1
151.00365	26.7
151.03972	5.7
152.01106	2.4
153.01939	9.7
161.02443	3.1
163.00412	9.1
163.04094	1.2
164.00847	1.4
165.01843	2.7
165.05547	1.4
166.02611	1.4
167.03412	3.6
168.00609	6.6
169.01421	65.3
170.01770	2.3
171.04468	1.7
174.03148	2.3
175.04015	12.3
176.01062	4.8
177.01920	13.9
178.99838	10.0
181.05113	1.8
189.05511	2.3
191.03336	1.6
193.01366	2.1
199.03955	6.4
201.01869	1.8
202.60004	1.6
211.02463	10.3
213.05473	2.2
214.06010	1.3
217.05167	6.6
218.05312	1.3
229.04909	2.3
241.05115	7.3
243.02824	1.9
257.04483	2.6
259.06198	2.1
267.02927	2.2
271.04532	15.1
271.31647	1.8
275.05408	2.4
284.03079	3.3
285.04053	83.8
286.04321	5.7
303.01813	1.8
303.05142	29.6
303.08691	3.9
313.05661	46.3
314.05688	1.7
331.06387	2.3
439.08707	6.2
447.09396	3.6
451.73801	1.4
464.09167	1.5
465.09521	7.0
477.06363	1.5
491.07944	1.6
493.05908	3.8
555.20837	7.8
581.10742	1.7
599.10223	12.6
600.10260	3.0
617.11273	88.9
618.11780	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	616.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.87436	1.5
77.29281	1.4
78.95893	5.1
93.94302	1.4
106.31757	1.5
149.01218	1.6
152.99652	2.4
197.11859	2.6
200.18890	1.5
208.95438	1.6
229.53081	1.4
245.40878	1.5
255.23294	4.9
404.06415	1.7
553.37262	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	616.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	22.0
61.71856	2.2
61.98829	23.8
63.02396	4.0
65.00322	4.9
67.08903	2.1
69.30975	2.0
71.01377	9.8
71.55718	3.4
72.99313	4.3
73.02941	2.9
75.00893	5.1
79.32831	2.0
79.95733	1.9
80.22855	2.1
83.01369	5.3
85.02935	6.9
88.98814	3.1
89.02463	3.7
93.03445	2.8
95.01398	5.2
96.96010	19.7
97.02956	2.0
99.00862	4.4
101.02431	5.5
107.01377	16.3
109.02943	9.6
111.00844	3.2
113.02450	6.1
116.92857	2.2
117.80904	1.9
122.03805	3.0
123.00890	7.7
123.04482	3.0
125.02448	47.3
126.02795	5.8
135.04559	3.2
137.02461	34.9
138.02780	7.8
139.00336	3.6
140.01205	3.8
141.01808	2.7
149.02454	4.4
150.03175	8.9
151.00362	40.1
151.03755	2.2
152.00682	11.7
161.02463	3.1
163.00362	4.3
164.01010	5.5
165.01930	100.0
165.05550	9.8
166.02245	18.2
166.06227	3.5
168.00636	5.5
169.01437	45.9
170.01764	3.8
177.01929	5.3
178.99876	28.9
179.03468	21.0
180.00183	12.5
180.04283	46.0
181.04686	14.1
187.73933	2.5
193.01213	2.5
194.05827	4.7
195.06622	69.5
196.06963	20.2
210.05304	9.0
211.05580	3.9
225.05466	2.5
225.07648	50.6
226.07991	17.9
271.02454	8.6
272.02768	5.4
287.02029	4.3
287.22269	3.9
288.02200	2.8
301.03552	6.2
302.04062	3.5
313.05704	2.7
316.02103	5.3
317.02982	68.6
318.03354	64.8
319.03510	6.1
328.13098	3.5
330.10986	3.0
345.12994	5.0
359.14935	6.8
360.15237	8.9
371.14978	5.5
372.15332	5.1
401.14407	16.4
437.96729	2.9
464.09253	6.9
535.70844	2.6
553.15454	35.8
554.15619	6.8
567.22498	7.9
568.22650	38.3
615.27008	4.6
616.10266	46.7
616.25513	12.3
617.08685	4.1
617.26990	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	615.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96156	0.5
57.03444	0.6
59.01376	5.6
61.98823	4.2
65.00320	4.8
67.01888	1.4
68.49640	0.5
69.03454	0.6
71.01379	3.0
73.02958	0.6
75.00877	0.7
78.91888	0.6
81.03455	0.5
83.01400	3.0
83.01924	0.5
85.02962	2.3
88.98804	0.7
89.02451	1.5
93.03506	0.8
95.01373	1.2
96.95992	3.8
98.20626	1.2
101.02463	1.4
106.60910	0.4
107.01389	10.2
109.02954	8.7
111.00864	0.8
113.02463	2.2
116.92867	0.8
119.01420	0.7
121.02970	1.4
122.03733	1.0
123.00938	2.5
124.01666	1.4
125.02453	15.7
126.02815	1.0
132.02167	0.6
134.63783	0.5
135.00874	0.7
135.04530	0.7
136.01671	2.2
137.02438	30.5
138.02849	0.6
139.00340	1.2
139.04022	0.5
141.01863	0.6
147.04480	0.6
149.02446	2.3
150.03220	5.8
151.00359	34.2
151.03979	2.0
152.00850	1.1
153.01947	0.5
156.51863	0.5
159.04472	0.5
161.02390	1.6
163.00386	3.3
163.03984	1.1
164.01117	3.1
164.03273	0.5
164.04736	0.8
165.01924	66.5
165.05571	6.7
166.02348	1.9
167.03491	0.6
168.00504	1.1
169.01428	15.7
170.01787	0.7
171.04465	0.7
175.03963	1.1
177.01910	0.6
178.99858	26.1
179.03468	16.3
179.06985	0.6
180.00246	1.0
180.04272	37.1
181.04753	1.2
183.04521	0.7
189.05545	1.1
190.06445	0.5
190.99921	0.8
191.03516	0.7
192.00658	2.3
193.01349	1.1
193.05013	0.7
194.05811	3.2
195.06612	50.5
196.06937	1.7
199.04031	1.1
201.01816	0.6
203.03534	0.7
205.08650	0.9
210.05302	7.4
214.02664	0.7
225.07658	41.5
226.08122	1.5
227.03453	1.8
232.68622	0.5
243.02939	2.1
255.02859	0.8
259.02411	1.1
261.04123	0.9
270.01685	0.8
270.08914	1.1
271.02432	9.5
272.02939	0.8
283.09827	0.8
285.11215	0.9
287.02051	3.0
288.02341	0.6
289.03641	0.7
297.06067	0.8
298.08670	0.7
299.01993	1.5
299.09219	1.8
300.02765	1.9
301.03479	4.2
301.06860	1.2
301.10580	0.6
311.09253	0.6
313.05835	1.1
313.10739	0.9
314.07956	0.9
315.01538	0.5
316.02209	12.1
317.02994	100.0
318.03287	7.1
326.11569	0.7
327.12308	1.6
328.13162	2.6
329.10065	2.6
330.10980	0.9
341.10339	3.2
341.13931	0.9
343.15527	0.6
344.12653	3.5
345.13126	0.9
356.12552	1.8
359.14987	11.9
360.15527	0.6
371.14917	9.0
389.16040	2.5
401.14706	1.6
463.08978	6.3
463.25403	0.8
464.09277	0.9
465.06732	2.2
468.76340	0.5
507.16138	0.6
537.21643	3.8
552.19867	0.6
553.15747	3.7
567.22308	31.7
568.22229	3.8
614.34497	0.8
615.09827	31.3
615.25439	8.5
616.09943	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	615.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01379	4.9
61.98831	3.1
62.39354	0.5
63.02390	1.1
65.00321	2.1
69.03426	0.7
71.01382	3.2
71.52289	0.5
71.52692	0.7
73.02950	2.5
79.95744	0.5
83.01393	2.0
83.02190	0.5
85.02964	1.0
87.00847	0.9
91.68262	0.5
95.01416	0.6
96.96001	6.1
98.27865	0.5
99.00874	1.2
99.71629	0.5
100.01675	0.7
101.02435	2.9
107.01382	3.7
109.02950	1.7
111.00898	3.1
113.02410	1.1
113.99593	8.8
115.00388	3.4
121.02956	1.5
123.00818	0.7
124.01648	1.4
125.02435	5.4
128.01125	1.4
128.73306	0.5
136.01613	0.6
137.02414	2.0
139.00323	1.1
151.00371	14.1
152.01114	1.0
156.00644	10.1
157.01344	0.9
163.00327	1.9
169.01384	4.3
171.21866	0.6
174.00215	1.1
174.01691	19.2
175.02426	1.3
178.87270	0.6
178.99850	9.2
183.03052	0.6
203.03465	0.6
209.81104	0.6
214.02675	2.9
215.03302	0.7
227.03421	0.9
230.44705	0.5
242.02216	3.3
243.02979	2.7
251.13501	0.6
255.02986	3.4
259.02429	4.1
269.04562	1.0
270.01688	4.1
271.02454	26.1
272.02988	1.8
287.01968	20.7
287.16388	1.0
288.02487	2.3
300.02716	12.6
301.03513	26.4
302.03784	2.4
313.05673	1.6
316.02213	64.0
317.02869	15.8
463.08795	100.0
464.09128	11.5
511.21695	2.2
579.13593	2.7
615.09882	4.5
615.27295	3.9
641.03351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78470	0.6
58.30747	0.6
59.01375	0.9
61.98814	0.7
64.65053	0.5
65.00335	0.8
66.91330	0.5
67.01904	1.1
69.03435	1.7
69.30273	2.8
69.30693	2.0
71.01376	2.7
72.84219	0.6
72.99299	0.9
79.01885	1.0
81.03449	0.8
83.01360	1.2
85.02956	1.4
87.00905	0.9
95.01371	2.0
97.02959	1.5
101.02454	1.3
107.01395	11.8
109.02943	1.0
111.00885	2.6
113.02458	1.0
123.00886	9.6
124.01643	3.6
125.02444	68.4
126.02770	1.7
134.03737	8.2
135.04553	1.0
136.98820	1.3
137.02444	3.2
139.00366	3.9
140.01166	4.1
141.01927	1.4
149.06070	3.8
151.00369	11.5
161.02393	0.7
163.00301	0.6
163.03947	0.7
165.01894	0.9
166.99855	1.7
168.00644	6.5
169.01416	73.9
170.01782	2.7
173.70311	0.6
175.04031	0.6
178.99898	3.0
181.05084	1.0
182.94557	0.6
183.03062	0.7
191.03590	1.0
193.01407	1.0
207.03178	0.6
211.02379	1.0
223.08476	0.6
225.07587	0.6
237.04134	1.0
242.60184	0.6
295.04388	1.1
297.06290	1.5
313.05618	12.7
314.05542	0.8
316.02280	1.0
317.02988	12.7
463.12549	22.1
464.12747	2.2
465.06744	1.6
473.04782	0.7
548.05316	0.7
588.46613	0.7
615.13531	100.0
616.13928	13.7
616.23932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	1.4
61.24230	0.7
61.98847	2.2
62.09825	0.6
65.00356	1.9
69.24959	6.6
71.01379	3.4
83.01401	2.2
85.02993	0.8
91.46329	0.6
93.03479	2.2
95.01355	0.8
107.01399	7.0
108.02214	1.7
109.03018	1.8
109.11325	0.7
111.00890	0.7
113.02449	1.1
119.05039	1.3
121.02983	2.2
123.00912	4.6
125.01530	1.3
125.02441	26.4
126.02821	1.2
135.04378	0.7
136.44911	0.6
137.02443	3.8
139.00414	1.2
148.01685	0.8
149.02435	1.4
151.00365	15.0
151.01558	1.0
155.03577	1.1
161.02484	0.9
163.00404	2.3
164.01144	1.1
169.01428	34.3
170.01718	1.5
171.04395	0.8
173.04527	1.6
177.01947	3.5
178.99841	6.7
190.99792	0.9
193.01466	1.0
209.04672	1.0
211.02399	1.6
211.04192	1.2
215.03493	0.8
216.04308	0.9
226.02609	0.7
227.03551	3.0
241.03326	0.8
243.02913	8.1
243.29030	0.7
245.04561	1.2
254.02171	1.6
255.02980	21.7
256.03415	1.0
271.02435	42.8
272.03064	3.7
273.04144	1.3
283.02463	1.7
285.04022	0.8
287.02637	0.6
299.01910	1.2
300.02747	100.0
301.03455	47.5
302.03928	3.1
313.05670	5.5
317.03036	0.7
325.05469	1.1
373.09421	1.3
375.09909	1.2
403.10129	1.0
404.10413	0.9
463.08774	57.8
464.08890	5.9
615.09796	99.6
616.10077	13.8
640.93011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65786	1.5
54.48899	1.5
54.80245	1.6
56.22715	1.7
59.01355	2.1
61.98815	4.8
62.18895	2.0
71.01338	1.8
73.36431	1.7
78.54292	1.6
93.03443	2.3
96.96005	4.1
98.20760	3.6
107.01380	6.3
109.02924	2.6
121.03000	1.9
125.02443	19.6
137.02451	2.8
143.83838	1.7
145.02994	1.9
149.02411	2.0
151.00377	14.2
169.01418	20.0
178.99843	6.4
227.03465	2.1
243.02950	7.5
255.03035	17.5
256.03470	1.8
271.02463	39.3
272.03030	2.9
300.02756	92.5
301.03488	64.4
302.03842	3.6
313.05560	3.9
463.08780	56.9
464.09128	3.5
615.09839	100.0
615.18225	3.6
616.10382	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	615.099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70679	0.4
56.02420	0.4
56.49815	0.4
57.03482	0.9
59.01420	2.1
61.98831	4.1
63.02396	3.0
65.00327	5.5
68.74962	0.5
69.03500	1.2
71.01428	2.0
71.49466	0.4
71.56129	0.8
71.82886	0.4
73.03004	0.4
73.03734	0.5
83.01390	4.3
85.02987	0.9
87.00938	0.5
88.98861	0.8
93.03448	2.5
95.01394	0.5
96.96005	2.4
97.02962	0.6
101.02461	0.7
107.01391	13.0
108.02217	0.6
109.02970	2.4
111.00967	0.8
111.04601	1.0
113.02460	0.6
121.02958	8.9
121.03724	0.7
123.00945	1.8
124.01760	0.9
125.02451	20.5
126.02843	1.1
137.02435	2.3
139.00424	0.9
139.04036	1.1
140.01135	0.5
149.02495	2.2
149.06021	0.5
151.00372	42.9
152.01216	1.0
153.01971	0.7
155.03561	0.8
159.04555	0.8
161.02477	0.6
163.00432	2.4
164.01192	0.8
166.99983	0.5
167.03461	0.6
168.00674	1.4
169.01433	20.0
170.01833	1.0
173.04622	0.8
174.04916	0.6
175.00459	0.9
175.04115	0.7
177.01933	1.1
178.99876	14.6
180.00206	0.8
185.01041	0.5
187.04083	0.7
189.05739	0.6
192.00676	0.6
193.01468	1.7
201.05594	1.0
211.02441	1.3
211.04173	0.9
220.65923	0.5
225.03999	0.7
227.03560	1.2
229.05049	1.5
239.03505	0.6
243.03064	2.2
245.04488	1.4
255.02982	3.6
256.03705	0.6
257.04742	0.5
259.06183	1.3
269.04520	3.4
271.02335	6.4
271.04651	1.1
272.03168	0.6
273.04071	1.3
283.02557	1.6
284.78506	0.5
285.03915	2.7
300.02747	17.9
301.03534	100.0
302.03876	6.4
303.05032	2.1
313.05643	6.7
317.02963	3.9
327.07043	0.9
463.08746	9.3
465.06705	1.9
493.06473	0.8
553.19110	1.2
597.12158	0.8
614.21210	0.8
615.09802	41.4
615.21954	3.0
616.09955	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	615.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19644	1.3
63.02381	2.7
65.00306	5.0
66.15238	1.4
79.15861	1.1
83.01392	3.2
88.34373	1.6
107.01374	11.1
109.02932	7.9
124.01653	1.4
125.02444	13.5
134.26971	1.3
137.02435	18.6
140.01111	1.8
142.68593	1.3
151.00366	35.1
152.00874	1.7
160.31689	1.4
163.00325	3.4
165.01978	1.8
168.00606	1.5
169.00165	1.7
169.01437	14.5
178.99849	32.3
193.01346	2.3
193.81468	1.4
199.03993	1.3
221.09695	1.2
227.03285	1.6
243.02878	1.9
270.01614	2.2
271.02438	15.2
272.02927	1.8
287.01907	3.5
297.06094	2.3
300.02560	1.6
312.20261	1.6
316.02219	23.0
317.02994	100.0
318.03400	7.1
410.61295	1.6
463.08676	5.9
615.09882	75.1
616.09973	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	615.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
61.98828	1.6
62.42284	0.5
63.02401	3.8
65.00320	4.9
71.01402	0.7
76.63456	0.5
81.03483	0.8
83.01392	3.9
83.58227	0.6
85.13735	0.5
95.01384	0.6
96.96010	3.5
98.19843	1.1
107.01382	10.4
109.02946	7.3
123.00871	1.4
124.01676	0.9
125.02441	9.5
133.39478	0.5
135.00916	0.7
137.02449	19.3
138.02846	0.6
139.00385	0.8
140.01152	0.5
142.43588	0.7
151.00368	38.6
152.00711	0.8
163.00360	3.5
164.01135	1.2
165.01958	1.8
165.05635	0.7
168.00647	1.5
169.01434	10.1
178.99858	26.5
180.00189	0.9
187.03911	0.5
190.99892	1.4
192.00652	2.2
193.01430	1.1
199.03963	1.1
203.03452	0.8
214.02798	1.2
219.36621	0.6
227.03506	2.0
242.02206	1.4
243.02914	3.2
245.04594	1.1
255.03108	1.1
259.02417	1.3
261.03998	1.2
270.01660	1.3
271.02454	11.5
272.02670	0.6
287.01837	4.0
288.02573	0.6
289.03427	0.9
297.06424	1.1
299.02011	2.0
300.02658	1.4
301.03638	3.8
315.99457	0.5
316.02228	16.3
317.02997	100.0
318.03329	5.5
463.08566	6.0
615.09857	46.8
615.24896	3.4
616.10291	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	614.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03483	0.3
59.01372	1.6
61.98827	100.0
65.00325	0.5
69.57560	0.7
69.57981	0.9
71.01378	1.1
73.02939	0.4
75.00874	0.5
83.01390	0.5
85.02953	0.4
87.00886	0.3
88.04044	0.3
88.98810	1.6
89.02445	0.7
93.03458	0.5
96.96011	1.1
101.02431	0.6
107.01382	1.3
109.02975	0.8
111.00914	0.3
111.49319	0.2
113.02439	0.5
121.02953	0.3
123.00930	0.6
124.01670	0.4
125.02454	4.1
128.03508	0.2
137.02448	3.7
139.00385	0.3
140.01123	0.3
149.02403	0.5
151.00372	4.5
161.02515	0.4
164.01245	0.2
165.01985	0.7
168.00655	0.5
169.01430	3.9
178.99866	3.5
180.01926	0.2
192.00713	0.2
193.01477	0.4
194.55043	0.3
199.03981	0.3
211.02390	0.5
227.03590	0.3
239.45055	0.2
255.03032	0.5
261.04028	0.3
265.52444	0.2
269.04550	0.4
271.02588	1.0
271.04993	0.4
282.33328	0.3
287.01917	0.5
297.06705	0.2
300.02985	0.4
301.03552	2.8
302.03882	1.7
315.01450	0.5
316.02148	1.4
316.05466	0.4
317.02994	12.4
366.04370	0.3
463.09088	0.9
524.22162	1.8
551.24982	1.4
614.27069	0.6
614.36414	0.6
614.93768	0.3
615.09888	4.8
615.20184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98732	0.2
50.99602	0.2
52.68617	0.2
54.18119	0.3
59.01380	1.5
60.22519	0.2
60.99303	0.3
61.98830	100.0
62.44689	0.2
65.00321	0.5
69.60112	1.6
71.01382	0.8
72.99313	0.3
83.01414	0.4
85.02959	0.6
88.98338	0.2
88.98795	1.6
89.02419	0.3
89.99167	0.3
93.03442	0.4
96.96011	0.8
97.52741	0.2
101.02484	0.3
107.01400	1.2
109.02978	0.9
113.02450	0.5
119.03516	0.3
121.02980	0.4
123.00881	0.5
125.02448	2.7
135.04514	0.2
137.02449	3.2
139.00336	0.3
139.04063	0.2
149.02463	0.5
151.00372	4.0
152.00948	0.3
161.02467	0.3
163.00340	0.2
165.01953	0.5
168.00653	0.3
168.16908	0.2
169.01457	2.5
178.99835	2.4
192.00726	0.3
211.02544	0.5
269.04584	0.4
271.02542	0.9
271.04953	0.3
272.08722	0.3
287.02094	0.4
300.02795	0.3
301.03482	2.5
302.03885	1.9
315.01703	0.3
315.05170	0.5
316.02112	1.4
317.02979	10.6
463.08884	0.6
524.22223	1.4
551.25305	0.6
614.25647	0.7
614.35510	0.6
615.09686	3.4
615.18610	0.3
615.75397	0.2
640.57477	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78449	0.6
57.03450	1.0
58.69373	0.6
59.01384	6.0
60.99274	0.8
61.98828	12.6
64.07983	0.8
67.01883	1.4
69.03448	2.0
69.38745	5.5
71.01379	4.8
72.99294	0.8
73.02960	1.3
75.00879	1.4
78.95898	1.2
81.03483	0.9
81.30022	0.7
83.01381	1.4
83.05034	2.4
85.02950	3.1
87.00889	3.0
88.98808	3.6
89.02462	1.3
93.03456	13.6
95.01375	1.4
96.96017	14.9
96.96984	1.2
97.02946	1.7
100.23267	0.7
101.02431	1.0
107.01388	8.8
109.02936	1.4
111.04521	10.7
113.02436	1.9
119.05029	1.1
121.02948	2.3
122.03737	4.6
123.00883	2.4
123.04556	1.0
124.01676	1.3
125.02448	66.6
125.25645	0.7
126.02785	1.7
127.04021	1.2
128.03548	1.0
129.01863	0.9
136.01674	1.1
137.02446	10.1
139.00369	0.7
145.02917	1.3
149.02432	6.3
150.03232	19.8
151.00330	4.0
151.03886	2.3
155.03513	13.6
156.03874	0.8
164.01137	0.8
164.04851	1.3
165.01936	7.1
165.04161	1.0
165.05566	20.5
166.02710	4.6
167.03410	1.3
169.01425	100.0
170.01746	2.2
173.04544	18.2
173.06052	1.1
175.03993	0.8
177.01862	0.8
179.03419	1.6
180.04305	5.2
181.05069	5.2
187.03934	1.2
191.03534	0.9
191.05521	1.2
195.04852	1.1
195.06633	15.4
201.05481	1.2
203.03499	1.4
205.05089	1.5
210.05444	1.0
219.06526	1.2
225.07635	3.3
244.03334	0.8
245.04509	1.1
259.02484	1.8
269.21259	1.1
271.02341	1.5
285.20822	0.9
287.01953	1.6
287.22260	64.2
288.22675	4.7
301.03482	1.5
307.04547	1.0
309.27249	0.9
315.01572	6.0
317.03122	1.4
325.05640	14.1
326.05978	1.1
346.51855	0.8
387.14917	3.5
417.15536	5.6
423.06076	0.8
443.26477	8.5
461.27515	10.8
462.27850	0.8
481.22049	0.8
525.68085	0.8
555.10022	0.7
565.20685	10.1
566.21173	2.2
613.28638	76.1
614.28723	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	613.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
57.96621	1.4
59.01382	10.0
61.98830	22.8
62.59703	1.8
63.57095	1.7
69.31438	16.3
69.31745	1.5
71.01377	5.1
71.96237	1.7
72.99323	1.9
73.02933	3.2
75.00867	2.8
78.95884	1.9
83.01408	2.9
85.02964	3.1
87.00874	2.8
88.98798	3.7
89.02460	2.8
91.45738	1.6
93.03442	7.3
96.43688	1.3
96.96014	12.4
96.96962	1.7
98.19925	3.4
99.00880	1.8
101.02416	2.1
106.37790	1.5
107.01402	2.4
109.02970	2.4
111.03212	1.6
111.04586	1.7
113.02428	4.6
121.02952	9.4
122.03733	15.2
123.00876	4.5
124.01650	2.8
125.02448	19.6
126.02782	2.0
133.02933	1.8
136.01643	2.3
137.02446	11.2
139.00339	1.8
145.97221	1.7
149.02394	18.1
150.03226	93.8
151.00365	8.9
151.03816	3.5
152.01013	2.4
159.04420	1.7
161.02437	1.9
164.04793	5.0
165.01917	21.7
165.05559	100.0
166.02762	12.4
166.05930	2.1
167.03444	4.7
169.01410	18.1
169.02687	2.8
175.04071	2.4
177.01860	2.8
179.03571	3.9
180.04285	16.8
181.05081	15.9
185.00775	1.9
187.03983	2.0
191.05656	2.2
195.06621	87.9
196.07019	2.1
203.03482	4.5
205.05025	3.5
210.05417	2.6
225.07645	15.3
235.66621	1.8
258.75751	1.8
259.02338	3.4
268.22980	1.7
271.02374	3.2
285.03537	1.9
287.01947	4.6
315.01431	13.0
341.23181	3.2
345.60992	1.8
354.38095	1.7
372.11859	1.8
387.14542	10.5
403.14017	2.2
417.15515	14.3
504.31586	1.7
565.20758	4.9
613.14880	2.7
613.29279	6.6
614.29041	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	613.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
57.47837	0.7
59.01380	8.1
61.98830	15.1
68.56838	0.8
69.03432	1.5
71.01371	3.0
71.52335	1.6
72.63326	1.0
73.02956	1.6
75.00872	1.7
78.95920	1.0
83.01379	1.7
85.02950	2.3
88.98792	2.8
93.03453	4.5
95.01388	1.4
96.96017	6.3
97.02959	0.9
99.00859	1.0
101.02448	1.3
107.01389	2.3
109.02950	2.6
111.00906	1.3
113.02444	2.3
119.05016	1.2
121.02952	7.1
122.03733	11.6
123.00883	2.7
123.04433	1.3
124.01682	1.3
125.02451	12.9
126.02808	1.1
133.02937	1.2
135.04536	1.2
136.01639	1.6
137.02441	7.1
139.00334	1.1
139.04016	1.6
148.33000	1.0
149.02432	18.5
150.03226	89.6
151.00375	6.4
151.03648	3.1
159.04436	1.1
161.02379	1.3
163.03943	1.2
164.04807	3.3
165.01912	20.3
165.05563	100.0
166.02742	8.9
166.05893	3.1
167.03481	2.9
169.01413	12.6
170.01724	1.3
173.04523	1.6
175.03897	1.3
177.01939	2.1
179.03476	2.7
180.04272	18.9
181.05063	13.8
183.10216	1.8
187.03966	1.7
191.03488	1.1
195.06621	81.1
196.07024	2.3
203.03474	1.8
205.04935	2.3
207.34879	0.8
210.05357	1.6
221.08089	1.4
225.07697	12.0
243.03099	1.2
243.12361	1.8
251.20103	1.0
253.09178	1.1
259.02554	1.4
287.02008	1.6
315.01459	7.8
341.23392	1.9
345.15500	1.3
372.12106	1.3
387.10718	1.8
387.14685	11.2
402.13147	1.4
403.13983	1.9
417.15546	12.1
418.15903	1.1
505.13269	1.1
550.20282	1.3
551.24414	1.6
565.20984	6.2
566.21393	1.1
613.28204	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	613.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.4
59.01380	34.3
61.98826	32.2
62.09824	1.6
67.01849	1.9
67.67273	1.4
69.03457	2.9
69.35170	6.6
69.35592	8.8
71.01378	4.6
73.02933	2.6
81.03452	3.2
83.05024	3.3
85.02937	4.4
87.00860	3.4
88.98786	1.9
93.03456	13.2
95.82651	1.6
96.96029	13.8
97.02954	1.9
99.00903	2.0
99.04509	3.0
107.01359	6.2
111.00839	2.0
111.04533	15.1
113.02403	2.6
123.00875	2.6
124.01608	2.0
125.02448	74.8
129.01918	2.7
137.02452	14.9
139.00362	2.6
143.03424	1.9
145.02937	2.7
148.40584	1.5
155.03500	31.2
161.02489	2.0
165.01917	2.0
165.12712	1.8
167.03459	2.4
168.00600	2.3
169.01414	93.5
170.01707	4.9
173.03275	1.7
173.04535	40.3
179.03432	2.0
191.05537	3.9
193.01263	1.9
209.11656	2.2
211.02448	3.0
225.14993	4.2
227.12869	15.4
245.04433	2.1
269.13873	4.8
277.07327	4.5
287.14984	18.9
307.04504	3.5
325.02014	3.3
325.05576	33.7
343.06204	2.1
385.07690	4.4
443.19073	6.7
461.20789	13.0
467.11661	5.0
595.20020	12.8
596.19855	2.4
613.21313	100.0
614.10986	8.0
614.21588	14.0
625.63318	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	613.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.0
60.99310	18.0
61.98832	71.5
67.01879	2.0
67.83609	1.4
69.03461	2.3
71.01388	7.7
72.99301	1.9
74.84441	1.6
75.00864	2.8
82.13667	1.4
83.01377	1.6
85.02942	2.7
87.00866	1.9
88.32152	1.5
88.98809	100.0
95.01362	2.2
96.95986	7.1
97.02935	2.6
99.00847	2.2
101.02464	3.1
106.19260	1.7
107.01380	6.8
111.00851	3.6
113.02417	4.4
121.02909	2.7
123.00885	11.1
124.01662	2.1
125.02452	38.8
136.98775	2.3
137.02420	1.7
139.00374	5.6
140.01202	7.2
141.01958	1.9
149.02374	3.0
151.00327	9.6
165.01868	3.7
167.03493	2.9
168.00601	8.4
169.01416	43.8
211.02452	29.9
212.02701	2.7
229.58990	1.5
271.01834	2.2
271.04593	42.3
301.03516	22.9
315.01556	7.9
475.10989	2.6
523.21826	93.7
524.22125	11.2
599.22784	1.6
613.24811	55.1
614.25745	6.5
643.10187	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	613.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.4
59.01381	14.5
61.98817	4.1
69.32426	14.6
71.01377	8.8
72.99278	2.5
75.00892	4.2
82.02983	28.0
82.28078	1.6
83.01389	2.8
85.02942	10.9
87.00868	5.0
88.98756	2.2
89.02425	4.4
95.01395	3.1
96.95997	6.2
97.02963	1.6
98.19830	3.2
101.02422	3.8
107.01420	4.7
108.02187	1.6
109.02965	1.8
110.12349	2.1
111.00810	1.7
111.04583	1.7
113.02441	10.6
114.56134	1.7
122.06096	2.3
123.00852	5.6
123.90863	1.9
125.02453	37.8
126.02724	1.7
136.04015	5.6
138.05568	4.4
139.00375	2.3
142.36275	1.8
142.37279	1.9
151.00308	4.2
152.01006	1.6
162.01965	1.9
164.03493	8.0
167.03484	2.0
168.00571	5.3
168.06602	2.2
169.01424	41.2
174.05608	1.7
177.01895	4.4
193.68405	2.1
194.04565	2.5
200.07144	1.7
202.08580	3.2
204.06628	3.0
211.02472	10.1
228.06657	2.6
229.06079	2.3
230.04546	4.3
231.07782	6.4
233.09314	3.7
234.92339	1.8
242.08284	3.5
243.07797	2.8
244.09782	5.0
245.09340	3.7
249.06093	3.6
259.07339	10.3
267.07248	17.1
269.09271	3.8
270.07733	12.8
271.04517	13.1
271.07275	9.3
285.08719	6.9
287.10373	29.9
291.09818	5.5
309.11768	4.7
313.04953	3.1
313.08322	54.8
313.11929	3.3
314.08658	3.5
331.09314	6.5
396.86432	2.1
401.10867	4.0
423.05704	2.1
461.12811	16.4
483.07709	2.7
493.18167	10.8
537.17114	3.7
538.15314	5.6
553.11157	2.3
581.16241	100.0
582.16406	10.4
587.04578	2.0
603.14819	2.1
613.13690	50.2
614.13995	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	613.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01513	1.0
57.91812	1.1
59.01382	7.5
61.98825	2.5
69.03449	1.5
71.01393	5.5
71.54968	2.2
73.02936	1.8
81.03423	5.4
83.01381	8.6
85.02909	2.2
89.02413	2.1
93.03410	1.8
95.01355	4.0
95.04996	3.5
95.18388	1.3
96.95992	1.7
97.02986	5.9
99.04492	2.9
101.02402	3.2
107.01348	4.5
109.02952	11.0
109.06540	1.4
111.00841	1.8
111.04503	2.5
113.02418	3.3
119.05003	2.0
121.02973	5.9
123.00812	5.3
123.04533	13.6
125.02444	42.2
126.02763	2.6
135.04510	14.7
137.02448	6.7
137.06020	3.8
139.00316	2.1
139.04007	8.7
140.01146	1.5
140.51729	1.1
147.04442	2.1
149.02428	2.0
149.06094	1.9
151.00385	3.1
151.03960	3.8
153.05490	2.4
155.03487	1.2
161.04427	1.3
161.05991	2.4
163.03940	3.9
165.01875	2.9
165.05568	5.6
167.02200	1.9
167.03497	31.4
168.00581	2.9
169.01424	38.7
170.01697	3.7
171.01756	2.0
172.65530	1.3
177.01776	1.3
177.05536	2.8
179.03516	7.9
180.04106	1.5
181.05074	1.9
191.03386	3.2
193.05016	5.7
197.04507	6.4
209.04547	39.4
210.04868	2.2
211.02414	5.2
221.04581	7.8
233.04514	2.9
235.05917	1.7
239.05594	14.4
251.05623	20.9
257.43829	1.3
263.05469	4.6
269.06470	2.1
271.04419	3.5
275.05527	1.5
281.06763	7.7
293.06351	1.4
309.11801	1.5
313.05594	2.8
331.08142	7.7
335.02072	1.4
343.08102	2.7
361.09045	4.9
373.09262	100.0
374.09515	7.9
385.09268	2.2
401.11023	9.4
403.10321	66.0
404.10516	5.5
415.10132	3.7
433.11380	23.2
434.11591	2.4
445.11310	2.7
461.12442	6.5
475.12466	9.0
483.07523	1.7
493.13559	21.3
505.13293	5.1
506.13513	1.3
523.14636	2.5
553.11578	3.2
595.16638	1.6
613.13910	64.3
614.14459	7.4
644.98492	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20502	0.9
59.01374	4.0
60.45467	0.8
61.98817	1.1
63.60784	0.9
64.43179	0.9
69.03462	1.7
69.65247	0.9
71.01368	3.1
75.00874	1.2
83.01382	1.7
83.15388	0.9
85.02940	2.4
89.02438	1.0
95.01354	1.2
97.02942	1.6
99.00898	1.0
101.02415	2.8
107.01392	5.7
111.00850	1.5
113.02441	2.4
116.49178	0.8
119.03447	1.1
123.00897	6.0
124.01650	2.5
125.02446	53.2
126.02778	1.7
127.79686	0.9
136.98877	1.1
137.02414	1.1
139.00369	4.0
140.01137	3.1
141.01923	1.2
147.06633	1.0
151.00356	4.5
165.01968	1.2
166.99864	1.8
167.03459	2.1
168.00650	9.0
169.01419	70.8
170.01753	3.1
171.01791	0.8
181.01366	2.0
193.01466	4.1
204.67317	0.9
211.02472	22.5
212.02844	1.0
236.62233	0.9
241.03564	1.9
253.03438	1.3
271.04611	17.5
308.07773	1.0
309.11816	1.4
313.05615	3.8
331.06577	2.9
389.11142	1.1
401.10431	1.0
415.12552	1.1
423.05472	5.7
424.06186	1.1
461.12787	13.6
483.07751	4.4
484.07562	1.0
512.49792	0.9
567.13245	1.6
595.12817	1.7
613.14020	100.0
614.14240	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	612.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.4
58.99571	1.3
59.01369	5.2
61.98822	4.3
69.03458	2.6
70.93323	1.1
71.01381	3.8
71.53757	2.1
72.99285	1.1
75.00890	1.9
81.03447	3.0
83.05016	2.5
85.02973	2.3
86.77638	1.3
87.00862	6.0
87.08907	1.4
93.03453	7.7
95.01380	1.4
96.96012	2.2
97.02934	1.3
99.00863	1.6
107.01395	4.3
109.02930	2.0
111.00854	1.5
111.04528	8.4
113.02471	2.5
121.02971	1.4
123.00887	4.2
125.02447	70.1
126.02781	11.7
127.02912	2.5
137.02454	6.2
140.01202	1.6
147.04527	1.8
149.02417	15.3
151.00410	2.1
155.03488	12.3
156.50014	1.4
161.02423	3.0
163.11151	2.0
164.04776	11.8
165.01936	1.4
167.03424	2.7
168.00633	1.7
169.01422	100.0
170.01770	19.1
171.01891	11.5
172.02164	3.4
173.04543	18.1
179.03514	2.0
179.07198	2.9
190.02727	1.9
191.05617	2.6
193.01379	1.6
205.04988	2.4
211.02451	1.8
223.06107	18.3
224.06302	1.8
225.11328	1.5
288.05853	1.4
305.06653	2.3
325.05566	10.5
343.06744	5.2
379.10257	2.0
397.11343	5.1
456.85077	1.5
458.08136	2.1
459.08096	1.6
460.08557	5.4
460.14813	1.8
475.16168	1.4
476.16623	3.1
540.47363	1.4
549.12506	48.7
550.12830	6.3
611.30011	1.4
612.18561	5.2
613.15790	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	611.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77660	1.0
55.17009	0.9
57.25372	0.9
59.01370	3.0
61.98825	1.4
71.01366	1.6
78.95904	51.0
80.91689	13.5
92.70331	0.9
95.05016	2.3
96.96956	9.0
99.05630	1.0
105.61922	1.0
113.02437	1.2
113.09717	2.3
125.02369	2.0
152.99586	62.6
169.01419	1.6
171.00591	2.6
181.12390	1.1
195.13892	16.4
195.72379	1.0
223.00179	7.0
241.01187	20.8
246.24924	1.1
253.09314	7.3
259.02191	1.5
270.72141	1.0
272.08939	1.7
275.06265	2.1
277.21689	12.5
278.11368	3.5
293.21185	14.1
295.22775	52.1
296.23145	4.7
315.04877	10.6
315.19431	2.1
375.21375	2.5
496.17715	1.0
514.19440	1.5
525.18762	1.6
611.28326	100.0
612.28601	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	611.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80287	1.0
63.44742	1.1
65.69750	1.1
71.53424	1.1
71.53835	1.0
78.95906	77.6
79.95741	3.5
91.46102	1.1
96.96002	64.0
96.96956	100.0
113.92603	1.8
168.57286	1.2
169.01343	1.6
277.21732	5.9
296.67307	1.2
312.07092	1.3
351.06256	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	611.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04457	1.0
51.65123	1.1
55.42816	1.3
56.52083	1.2
59.01380	6.6
60.99309	7.5
61.98837	7.1
62.41745	1.4
69.03471	1.4
71.01381	5.7
71.53820	1.0
71.54207	1.4
72.99316	2.1
73.02947	2.2
73.42821	1.0
75.00862	3.1
83.01396	1.8
85.02962	3.6
88.98806	29.8
95.01363	3.0
96.96006	5.1
97.02921	1.7
101.02424	3.0
107.01382	10.4
108.02190	2.1
109.42135	1.1
111.00880	4.4
111.81790	1.1
113.02443	2.6
123.00897	13.2
124.01646	1.2
125.02448	47.2
135.04459	1.5
136.98851	2.8
139.00371	5.6
140.01161	4.4
141.01910	1.7
151.00371	10.7
152.01158	1.8
161.02469	2.6
163.03941	1.7
168.00620	5.7
168.99985	2.5
169.01422	50.5
170.01726	2.1
179.03607	1.2
181.04947	1.3
183.94211	1.1
211.02493	5.7
269.04443	1.8
271.04617	7.4
285.00455	2.3
303.05133	1.3
313.05649	2.8
459.18777	34.2
460.19150	2.1
465.00668	1.4
521.13312	1.7
521.20197	26.6
522.20605	4.2
594.83203	1.2
611.19659	100.0
612.20300	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	611.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.5
61.98819	3.6
67.01875	0.9
69.03464	1.3
70.96805	1.2
71.01380	3.5
72.99321	1.0
73.02959	1.0
75.00833	0.6
79.01894	0.8
81.64947	0.6
83.01391	2.1
85.02969	1.7
87.00893	1.2
88.98797	3.7
89.02449	0.9
93.03429	0.6
95.01395	2.3
96.96004	1.8
97.02960	1.5
99.00925	1.0
101.02466	1.9
107.01393	12.1
110.00105	0.7
111.00900	3.5
113.02457	1.7
121.03008	0.6
123.00877	11.4
124.01688	1.9
125.02446	49.3
126.02798	1.5
127.00398	0.9
128.41141	0.6
136.98846	2.4
137.02463	1.1
139.00363	6.1
140.01144	5.3
141.01956	2.0
145.08665	3.3
149.02470	1.0
150.03261	0.7
151.00365	10.0
153.01978	1.9
161.02492	1.0
163.04100	0.7
168.00645	8.1
169.01421	54.4
170.01744	2.2
175.00400	1.0
177.01974	1.2
178.99875	0.9
179.03546	1.1
181.01500	0.8
181.05078	0.9
190.02809	1.2
193.01479	0.9
205.05208	1.2
211.02434	3.2
239.39105	0.7
253.03558	0.7
271.04724	2.5
285.00784	0.7
285.04034	2.4
303.05133	2.3
307.14081	1.9
313.05594	3.2
331.06665	0.8
350.99152	0.7
441.17755	1.4
459.18887	37.3
460.19199	2.5
521.20532	2.9
611.19830	100.0
612.20483	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	611.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	9.3
59.01375	62.2
60.99316	5.9
61.87151	4.4
61.98832	42.1
69.03443	15.4
71.01380	41.8
71.52636	8.2
72.99312	9.3
73.02942	12.3
75.00871	49.6
79.01896	7.4
80.98566	4.7
82.12048	4.7
85.02944	17.1
87.00870	9.5
88.98808	29.3
89.02445	15.8
95.01357	6.2
96.96001	18.5
97.02946	14.9
99.00887	5.0
101.02429	24.7
103.03986	19.5
107.01397	20.4
108.02173	25.5
109.02970	10.3
113.02425	15.8
119.03509	11.3
120.89359	4.9
123.00863	16.6
125.02444	100.0
135.00914	19.1
137.02397	8.6
144.45389	5.6
151.00397	13.2
152.01181	58.2
153.01897	5.0
155.56938	5.5
161.02492	9.3
163.06093	19.6
167.03462	8.6
169.01430	70.7
213.14905	12.5
227.71803	5.0
243.06673	31.6
307.10284	8.7
343.14096	12.0
443.11963	56.1
459.18555	19.2
611.19409	54.5
611.26935	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	611.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61329	1.0
54.78541	0.9
57.03445	1.7
59.01381	8.7
61.98832	11.7
67.01902	1.3
69.03463	1.8
69.43409	7.4
69.64545	0.9
71.01378	8.3
72.99316	1.4
73.02954	2.2
75.00899	1.0
78.37257	0.9
79.56559	0.8
81.03443	1.3
83.01405	3.0
85.02948	3.0
87.00869	2.0
88.98802	3.8
93.03457	1.1
95.01394	1.9
95.05818	0.9
96.96017	2.9
97.02949	2.1
98.19869	1.7
99.00886	1.3
101.02446	4.5
107.01398	13.9
109.02925	1.4
111.00878	2.9
113.02444	3.0
120.18469	1.0
123.00874	13.1
123.04527	1.5
124.01659	2.6
125.02444	78.6
126.02772	3.4
133.02921	1.0
135.04515	2.3
136.98856	1.3
137.02449	1.6
139.00366	6.0
139.04010	1.2
140.01184	3.4
141.01898	1.8
145.02962	2.0
145.08708	2.4
147.04515	3.8
149.02440	2.4
149.06166	1.0
151.00366	15.6
151.03973	1.3
152.01039	1.7
153.01862	1.2
153.05870	0.9
161.02394	1.4
167.03481	1.5
168.00641	5.4
169.01422	100.0
170.01735	3.9
175.04063	0.9
178.99815	1.4
179.03490	2.1
190.02751	2.7
191.03497	70.6
192.03796	2.6
193.01395	1.3
203.03427	1.2
211.02496	4.0
223.02457	1.1
241.03528	2.8
285.04047	3.0
297.07693	7.2
300.02750	2.4
300.86609	1.0
301.03366	2.4
302.03699	1.1
313.05646	63.7
314.05954	3.1
317.03113	1.2
378.49805	0.9
449.08423	1.8
459.18866	12.5
460.18750	1.4
465.09171	1.5
521.20099	1.1
549.22852	1.3
567.25635	1.2
593.13214	1.4
611.12799	79.0
612.13263	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	611.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57458	48.8
59.01387	57.6
61.98808	51.7
71.52705	78.6
78.95895	73.6
86.78648	44.5
103.47422	57.8
125.02468	100.0
154.12753	56.0
169.01384	81.2
169.91542	65.1
226.54201	53.3
252.53436	60.7
305.06656	55.6
527.00488	54.2
610.39838	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.1
58.00601	1.4
59.01382	14.9
61.98827	17.8
69.03472	1.6
70.66799	2.2
71.01374	9.5
72.99310	3.9
73.02988	1.9
75.00869	11.8
80.96550	1.4
81.03457	2.4
83.01367	2.7
84.39908	1.5
85.02942	11.7
87.00880	4.8
87.85929	1.4
88.98815	5.9
89.02458	2.5
93.03459	1.7
93.50615	1.3
95.01402	4.0
96.96035	5.5
97.02984	2.5
98.20619	1.8
99.00889	5.1
101.02431	1.4
105.03426	1.5
107.01403	2.1
109.02986	2.3
111.00884	2.2
113.02431	12.2
123.00908	3.3
124.01690	3.3
125.02441	68.9
126.02784	3.1
135.04642	1.5
137.02478	3.7
138.03302	1.3
139.04012	1.8
151.00337	1.9
161.02472	7.5
162.98410	1.5
165.01945	2.4
167.03505	3.1
169.01416	100.0
170.01842	4.4
177.01974	2.7
179.03491	2.0
193.01515	1.9
207.29898	1.5
249.06232	7.0
255.02890	1.6
265.10846	1.4
269.04541	3.1
287.05573	6.4
301.37231	1.4
305.06842	6.3
313.06009	2.4
313.23978	3.4
321.02487	2.3
341.26837	2.5
345.62201	1.5
359.27994	34.2
359.32132	2.5
360.28555	3.1
457.07504	8.6
458.08221	1.8
609.12433	9.7
609.35107	76.0
610.35693	11.5
613.94525	1.4
634.15100	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	609.268
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
54.17944	0.7
57.03444	1.8
59.01352	2.9
61.98827	9.8
63.99229	0.9
65.45137	0.8
69.37812	6.4
71.01414	1.1
71.04990	2.1
75.90019	0.8
78.95901	66.2
79.47631	0.7
79.95734	1.1
80.96511	1.6
83.61549	0.7
96.96960	11.1
107.01390	1.1
121.02981	0.9
125.02442	27.0
126.02753	0.8
137.02425	1.8
138.09108	0.7
143.50792	0.8
150.98007	1.0
152.99582	96.1
153.99881	0.9
161.02391	3.5
167.03409	1.7
169.01413	42.0
170.01778	1.6
171.00577	2.3
177.01942	1.7
196.34908	0.9
209.08218	1.3
209.11784	1.8
223.00114	9.3
223.16922	1.6
235.17049	10.6
241.01160	25.1
259.02185	1.7
275.20111	8.6
287.05502	2.2
293.21210	17.8
294.21487	1.0
300.02814	1.1
305.06592	3.9
315.04855	19.1
321.02759	1.2
333.05862	1.5
337.53937	0.8
391.24728	1.0
455.39182	0.8
457.07639	5.6
523.18567	1.7
609.26727	100.0
610.27100	11.5
637.33997	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39510	0.8
53.31557	0.7
57.03441	1.6
59.01362	3.8
59.02106	0.8
59.81791	0.8
61.98584	0.8
61.98833	9.7
63.12906	0.7
69.03472	0.9
69.35825	1.9
69.36228	5.2
71.01373	1.0
71.05022	2.1
78.95902	72.9
79.42839	0.8
80.96505	1.2
83.04993	1.1
96.72491	0.8
96.96957	11.4
97.02906	0.9
98.20707	1.5
104.82876	0.9
109.02917	1.0
125.02441	31.3
126.02827	0.9
137.02394	1.6
139.03918	0.9
152.99579	93.1
153.99908	1.0
161.02414	3.5
165.01878	1.6
169.01418	40.5
170.01709	1.3
171.00629	3.5
177.01913	2.2
179.03526	1.3
193.01422	1.4
200.13300	0.9
209.08234	1.0
209.11827	1.0
219.58748	0.9
223.00133	10.8
223.17020	2.1
231.21144	1.5
235.17032	9.6
241.01184	27.2
259.02261	2.3
269.04324	1.3
275.20197	9.3
287.05533	3.3
288.20612	0.9
290.14438	0.9
293.21225	17.0
305.06741	4.7
315.04868	17.5
333.05856	1.0
457.07745	5.0
508.33240	0.9
609.26746	100.0
610.26923	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	609.2679
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
55.02467	0.7
57.51770	0.8
59.01377	1.3
61.98824	2.6
70.97124	1.9
78.95903	54.4
96.96949	10.0
104.60419	0.8
106.28733	0.8
111.08140	1.0
125.02470	5.2
135.60449	0.9
152.99586	66.3
169.01428	6.4
171.00645	2.1
184.40930	0.8
185.46651	0.9
195.13908	8.1
196.14491	1.1
223.00105	7.2
223.13400	5.1
241.01189	21.4
242.01425	1.1
259.02219	1.3
271.03070	0.9
275.20151	2.1
292.11591	0.8
293.21237	38.8
294.21506	3.2
309.30487	0.9
315.04868	10.6
333.05988	1.2
337.95563	0.9
609.26776	100.0
610.27014	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	609.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99602	0.6
57.03440	1.7
58.24721	0.6
59.01385	3.5
61.98829	48.8
62.98541	0.9
63.96229	0.7
69.03448	1.7
69.52753	4.2
71.01382	8.2
71.95840	0.6
72.99309	1.0
73.02930	1.5
75.00883	1.0
78.95900	0.7
78.98595	5.6
79.95737	12.0
80.96516	59.0
83.01382	1.1
85.02937	3.6
87.00858	2.6
93.03460	0.6
94.98086	14.5
95.01373	1.7
96.96001	2.5
97.02925	2.4
98.19864	0.8
99.00862	1.0
101.02430	2.5
106.98077	3.3
107.01386	0.6
109.02984	0.7
113.02442	2.2
116.62593	0.5
119.04874	0.6
122.97580	5.2
123.00843	0.9
125.02445	26.2
126.02776	1.3
127.03978	0.8
134.97575	3.8
136.99139	1.4
137.02477	1.5
148.99155	5.3
152.98636	4.7
161.02470	3.1
164.98628	11.5
165.01923	0.9
167.03502	1.4
169.01424	32.5
170.01744	1.1
177.01889	1.1
177.68958	0.6
178.02423	0.6
182.99673	0.9
186.11916	0.7
190.47432	0.6
193.01326	0.6
197.11861	1.2
206.99692	2.8
219.06520	0.7
225.00729	17.2
232.42058	0.6
243.01730	0.8
257.37650	0.6
269.04498	0.8
287.05530	1.3
291.19650	0.8
299.04349	2.8
300.02652	0.8
305.06616	2.7
321.02631	1.5
331.04529	0.9
433.28299	0.6
457.07632	2.8
535.28589	0.8
540.99329	0.7
609.25763	100.0
610.16663	1.2
610.25922	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02177	0.8
57.03441	1.9
59.01373	4.3
61.98828	76.0
69.03444	1.1
71.01377	7.1
71.43825	1.5
73.02920	2.5
78.95879	3.4
78.98560	3.7
79.95735	14.7
80.96513	51.1
81.03474	1.0
85.02927	2.9
87.00844	2.4
94.98088	9.9
95.01363	1.7
96.95993	2.0
97.02936	1.8
99.00829	0.9
101.02428	2.8
106.98069	1.7
113.02474	1.0
122.74467	0.9
122.97546	3.2
123.00887	1.4
125.02443	39.4
126.02699	1.0
127.03934	0.8
134.97568	4.0
136.19235	0.8
136.99168	0.9
137.02440	1.3
139.04018	2.0
148.99167	5.3
152.98587	5.4
152.99654	1.3
161.01309	0.8
161.02374	4.7
163.07591	0.9
164.46182	0.9
164.98624	7.2
167.03479	1.6
169.01414	55.4
170.01738	2.0
177.01920	2.1
179.03471	1.2
179.21713	0.9
182.99655	1.4
193.01399	1.0
206.99637	3.0
211.13399	1.0
224.98642	1.3
225.00725	15.3
269.04468	1.1
287.05499	3.3
299.04355	2.9
300.02734	1.5
305.06689	5.3
311.22272	2.2
321.02451	2.3
457.07800	6.1
458.08032	1.6
481.17499	1.9
536.30011	2.3
609.25751	100.0
610.26074	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15042	0.7
57.03451	1.2
59.01377	1.1
61.98830	100.0
62.98528	0.9
69.17511	8.3
71.01394	3.6
75.93142	0.7
78.38280	0.7
78.95907	2.1
78.98588	1.0
79.95738	5.0
80.96518	29.7
81.03446	0.9
85.02962	1.4
87.00883	1.8
87.10537	0.7
94.98093	5.5
97.02961	1.3
101.02499	1.3
122.97582	0.9
123.00925	1.0
125.02448	26.5
126.02808	0.9
134.97612	2.0
137.02443	2.0
139.04007	1.0
148.99147	2.6
152.98586	1.5
152.99666	1.7
161.02466	2.8
164.98636	4.7
167.03519	1.1
169.01427	37.2
170.01755	1.7
177.01970	1.5
189.19983	0.7
206.99706	1.0
225.00761	9.3
269.04440	1.2
287.05673	2.6
293.21289	2.1
299.04428	2.2
305.06610	4.2
321.02487	1.4
331.04514	1.1
423.07458	1.1
457.07745	5.7
523.18524	39.3
524.18884	3.4
591.24921	2.6
609.25928	23.8
609.35034	1.2
610.26416	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	609.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07977	0.7
52.95494	0.9
55.01873	1.2
57.03455	3.0
59.01379	6.6
61.98827	5.3
67.01911	1.1
69.03455	1.9
71.01405	3.0
73.02946	19.8
75.00902	2.1
81.03495	1.5
83.01373	1.0
83.05060	3.0
85.02998	3.0
87.00898	2.0
88.98801	1.2
89.02480	1.6
93.03452	8.7
95.01419	2.0
96.96018	1.5
97.02979	1.5
101.02454	1.3
107.01393	6.8
109.02988	1.2
111.00952	2.3
111.04525	8.8
113.02449	2.0
123.00904	4.0
124.01743	1.6
125.02448	69.8
126.02825	1.8
127.00419	1.0
127.04095	1.3
129.01917	0.9
135.03053	2.7
137.02432	6.7
139.00441	1.7
140.01201	1.1
151.00461	3.1
155.03511	14.5
161.02496	2.8
163.70468	0.9
165.12871	4.3
167.03502	1.4
168.00714	2.6
169.01430	100.0
170.01857	3.7
171.87947	0.9
173.04547	15.9
177.01991	1.7
183.13934	2.2
184.75903	0.9
191.05595	4.5
209.11789	5.5
211.13396	2.1
219.06853	1.0
221.15465	2.3
239.16655	1.9
243.06783	1.6
245.04543	1.0
283.15540	8.0
287.05896	1.8
300.02917	2.0
305.06842	3.2
307.04712	1.7
321.02438	1.6
325.05695	7.2
343.03366	0.8
343.06699	4.6
375.27863	1.2
397.13657	1.5
439.19955	2.2
457.07785	4.3
457.16614	2.9
457.22165	8.8
491.21817	1.5
505.34177	2.9
535.18658	1.6
551.58264	0.8
591.21588	3.7
609.21960	63.1
610.22083	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	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.8
59.01371	1.3
59.93153	0.3
61.98828	0.4
69.03459	0.9
69.19915	3.5
71.01392	0.7
74.27554	0.3
77.71470	0.3
81.03454	0.7
83.01381	1.0
95.01381	0.6
96.96012	1.0
97.02941	1.6
98.19930	0.8
101.02423	0.4
101.34594	0.3
105.03463	1.1
107.01357	1.1
109.02976	0.9
111.04545	0.5
113.02438	0.5
119.87655	0.3
121.02955	0.5
123.00896	1.3
124.01631	0.3
125.02448	69.5
126.02802	1.6
130.54416	0.3
137.02435	3.4
139.03993	1.2
144.04454	0.3
149.02428	0.7
151.00394	2.1
151.03973	0.5
159.04454	0.4
161.02440	9.2
163.00278	0.3
164.01161	0.5
165.01926	1.5
167.03523	2.1
169.01422	100.0
170.01787	2.7
175.03944	0.6
177.01874	0.8
177.05539	1.2
178.99850	1.4
179.03473	1.2
187.03857	0.4
193.01428	2.6
199.04037	1.0
201.01797	0.4
201.05579	0.6
203.03499	2.4
205.01350	0.4
215.03514	1.5
217.01392	0.4
219.06639	1.2
221.04680	0.5
225.05608	0.4
227.03496	0.5
231.02957	2.1
243.02977	3.2
243.06499	0.4
258.01544	0.3
259.02441	4.5
269.04544	1.9
271.02414	4.8
285.04089	0.7
286.01141	0.4
287.01987	9.1
287.05612	9.5
288.02356	0.5
288.05878	0.8
300.02786	0.5
301.03506	1.2
305.06662	7.3
306.06894	0.5
314.63943	0.4
315.01447	20.2
316.01984	2.2
319.04968	0.4
321.02475	3.8
329.03125	0.7
330.03787	23.2
331.04379	4.2
351.82596	0.3
415.93732	0.4
439.06750	2.1
447.09222	0.6
457.07770	15.3
458.08240	1.3
485.31061	0.4
521.23877	0.4
565.22827	1.0
609.14673	30.7
610.15125	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67091	0.2
56.95354	0.2
57.03451	2.6
59.01366	0.8
60.01651	0.2
67.01871	0.3
69.03462	1.0
69.90765	0.2
71.01387	0.5
71.53671	0.2
73.02937	0.3
79.01888	0.4
81.03461	0.6
83.01388	0.7
85.02896	0.4
87.00867	0.2
88.98810	0.2
91.56198	0.2
93.03453	0.3
95.01364	0.5
95.05023	0.3
96.96010	0.3
97.02931	1.2
101.02418	0.2
105.03459	0.8
107.01405	0.9
109.02962	0.7
111.04477	0.2
113.02438	0.5
121.02929	0.4
123.00853	1.1
124.01624	0.5
125.02445	59.9
126.02792	1.6
133.02940	0.3
137.02478	2.5
139.03998	1.3
143.04994	0.3
146.06102	0.4
149.02495	0.6
150.95755	0.3
151.00383	1.7
151.03979	0.4
159.04536	0.4
160.04137	0.2
161.02444	8.2
162.02943	0.2
163.00345	0.4
163.03951	0.3
164.01149	0.4
165.01920	1.4
166.99808	0.3
167.03508	1.9
168.00676	0.3
169.01421	100.0
170.01744	2.5
171.04526	0.4
175.03992	0.5
177.01933	0.4
177.05569	0.8
178.99844	1.4
179.03465	1.3
183.04570	0.3
187.03990	0.6
193.01393	2.5
197.06096	0.3
199.03989	0.8
201.01938	0.4
201.05518	0.7
203.03499	2.2
205.01399	0.5
211.02666	0.4
215.03453	1.8
215.07024	0.2
215.42374	0.3
217.01381	0.3
217.05057	0.3
219.06723	1.3
221.04616	0.4
227.03491	0.6
229.01488	0.4
231.02951	1.7
241.01488	0.3
243.02975	2.4
243.06552	0.4
258.01642	0.3
259.02460	4.4
261.07675	0.2
269.04514	1.8
270.04849	0.3
271.02420	5.1
272.02939	0.3
275.02225	0.2
285.03992	0.7
286.01242	0.3
287.02023	8.3
287.05634	7.2
288.02560	0.6
288.05978	0.4
297.00455	0.2
300.02805	0.7
301.03513	1.0
305.06656	7.6
306.07043	0.4
315.01450	19.5
316.01990	2.2
319.04626	0.5
321.02502	3.3
329.03110	0.5
330.03775	23.3
331.04367	4.6
332.04889	0.3
359.12430	0.3
439.06851	1.6
440.07666	0.2
447.09305	0.8
457.07739	13.7
458.07660	1.2
609.14691	28.1
610.14978	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	609.1247
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
54.60667	1.0
57.03448	11.6
63.85543	1.1
70.58115	4.5
81.03474	1.7
83.01389	2.5
93.03455	3.3
95.01371	1.6
97.02980	1.9
107.05014	2.3
109.02962	10.0
111.04504	3.6
121.02946	5.0
123.00911	3.6
123.04533	1.7
124.01673	2.3
125.02448	100.0
126.02787	5.0
133.02939	1.7
135.04517	2.0
137.02440	22.9
139.04025	14.6
147.04451	2.0
149.02438	5.8
151.03990	4.0
161.02437	2.8
163.03952	1.8
164.01125	4.1
165.01921	13.0
166.02722	2.1
167.03485	15.8
169.01414	1.7
175.04054	6.8
177.01927	73.7
177.05418	2.0
178.02353	4.3
179.03554	10.2
187.04019	6.3
191.03560	2.2
199.03995	2.3
200.04645	1.3
203.03378	3.1
204.04251	2.9
215.03502	3.4
217.05008	1.7
219.06517	7.0
221.04604	3.5
223.59637	1.4
229.05135	2.5
243.03018	7.7
255.02980	18.3
256.03696	5.8
257.04462	3.1
261.04007	4.2
261.07495	1.8
266.96695	1.2
269.04578	1.9
273.04013	3.5
282.01727	2.3
283.02548	11.3
285.03961	4.6
297.03940	6.4
298.04703	1.9
303.05148	7.2
305.06671	62.7
306.06924	3.7
345.05832	1.8
355.07986	2.3
397.09323	2.2
423.07199	73.6
424.07513	6.2
430.56808	1.3
436.52780	1.3
441.08221	15.4
442.08453	1.9
460.72681	1.4
483.09070	5.4
505.17770	1.5
609.12268	7.2
610.12646	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1248
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
52.34988	1.1
52.98747	1.1
57.03444	10.9
59.01384	4.2
70.54179	2.7
76.56021	1.1
76.65507	1.3
81.03443	2.9
83.01410	2.7
85.02964	1.4
93.03461	4.2
95.05017	1.2
97.02940	2.2
99.60408	1.2
100.03706	1.1
109.02947	11.4
109.14385	1.4
111.04510	2.7
113.02448	1.6
121.02962	5.3
123.00890	4.0
124.01677	2.6
125.02439	100.0
126.02790	3.5
133.02948	1.6
137.02449	22.0
138.03104	1.2
139.04004	12.4
149.02434	7.0
151.03951	6.1
159.04485	1.4
163.04028	2.2
164.01164	3.4
165.01930	10.4
167.03479	9.9
169.01393	5.7
175.04008	6.9
175.06114	1.4
177.01915	69.9
177.05534	2.2
178.02403	3.8
179.03473	7.9
187.04016	4.4
191.03436	2.5
191.07042	1.5
193.05167	1.6
199.04039	2.0
201.05542	2.7
203.03484	2.7
204.04131	1.9
205.01442	2.0
215.03485	2.1
217.05052	2.8
219.06616	6.9
221.04526	4.6
227.03415	1.7
228.04242	1.6
229.05048	2.7
243.02948	4.1
243.06587	2.1
255.02943	15.8
256.03738	3.0
257.04562	2.1
261.03964	3.4
261.07581	1.9
267.07132	4.4
269.04684	2.3
273.04016	6.2
283.02420	9.4
285.04056	3.5
297.03998	4.1
303.05081	7.7
305.06635	68.7
306.06934	3.8
355.08344	1.9
389.10919	12.0
397.09256	2.5
423.07199	69.0
424.02084	1.5
424.07507	6.7
441.08173	15.4
442.08951	2.6
456.61053	1.3
465.08701	1.6
483.09198	5.1
488.32813	1.2
558.09174	1.5
592.56586	1.3
609.12738	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	609.0885
Annotation	Epigallocatechin 3,4',-di-O-gallate
Peak:m/z	Relative Intensity
53.48011	0.4
57.03444	2.2
57.49042	0.2
59.01367	0.5
59.70979	0.3
67.01917	0.3
69.03468	1.1
69.31749	2.1
71.01369	0.4
79.01904	0.4
81.03464	1.1
82.64154	0.3
83.01414	0.6
95.01358	0.5
97.02967	1.1
98.20776	0.3
105.03460	0.7
107.01385	0.6
109.02974	0.9
121.02954	0.4
122.72186	0.3
123.00891	0.7
124.01690	0.7
125.02447	61.1
126.02798	1.5
137.02419	1.9
139.04004	1.4
149.02402	0.4
151.00357	0.5
151.03972	0.5
161.02444	5.7
164.01074	0.6
165.01984	1.4
166.99834	0.4
167.03500	2.0
169.01421	100.0
170.01778	2.9
175.03998	0.3
177.01965	0.6
177.05479	0.6
179.03487	1.2
193.01384	2.0
197.06058	0.3
201.01831	0.4
201.05695	0.4
204.04201	0.3
205.01427	0.4
217.04898	0.3
219.06609	1.2
221.04549	0.7
225.05553	0.3
243.06711	0.4
269.04547	2.3
287.02277	0.6
287.05576	5.8
300.02768	0.3
305.06653	6.9
306.07010	0.5
313.22556	0.3
316.02054	0.5
319.04584	0.4
321.02438	3.7
322.02753	0.5
331.04620	1.8
439.06772	2.1
457.07745	15.0
458.08209	1.8
609.08459	1.6
609.15417	1.3
627.74866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.8
59.01380	1.6
59.55101	0.2
61.98824	0.3
67.01877	0.3
69.03468	1.0
70.41416	0.4
70.41776	0.8
71.01396	0.6
72.99290	0.5
75.00858	0.3
79.01910	0.3
81.03462	1.2
83.01386	1.1
85.02967	0.6
87.00903	0.3
89.02476	0.3
93.03501	0.3
95.01390	0.6
95.05053	0.4
96.96027	0.5
97.02933	1.1
98.19937	0.2
101.02397	0.3
105.03476	1.4
107.01401	0.6
109.02967	1.0
111.04523	0.4
112.76086	0.2
113.02442	0.6
121.02949	0.5
123.00909	1.4
124.01679	0.9
125.02445	80.7
126.02804	1.8
133.89911	0.2
137.02438	3.5
139.00345	0.3
139.03984	1.3
140.01120	0.3
149.02431	0.8
151.00400	0.5
151.04037	0.8
153.01918	0.2
159.04539	0.3
159.12105	0.2
161.02437	12.9
162.02879	0.5
164.01102	0.6
164.80560	0.2
165.01930	1.7
166.99834	0.3
167.03438	2.3
168.00574	0.3
169.01421	100.0
170.01762	2.7
175.03983	0.4
177.01974	0.5
177.05569	0.9
179.03479	1.7
183.04469	0.3
186.07590	0.3
191.03618	0.3
193.01393	3.1
197.06064	0.3
201.05565	0.7
203.03534	0.3
204.04205	0.2
205.01440	0.5
218.05692	0.3
219.06593	1.4
221.04538	0.7
225.05620	0.4
227.03494	0.3
227.12889	0.7
229.01483	0.7
230.16566	0.3
243.02942	0.3
243.06551	0.5
247.02463	0.3
261.07620	0.4
269.04538	3.4
275.01981	0.9
287.02145	1.4
287.05573	14.0
287.14990	1.0
288.06061	1.0
293.09177	0.3
300.02756	0.4
305.06635	9.0
306.07010	0.6
315.01285	0.5
319.04520	0.8
321.02481	4.1
331.04611	1.9
331.07913	0.4
419.19177	0.7
439.06699	4.8
439.12048	0.3
440.07281	0.4
457.07733	15.7
458.07825	1.4
484.39862	0.3
489.14337	0.3
582.98248	0.3
609.07251	0.6
609.16071	2.0
609.29626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65055	1.7
55.37156	1.5
61.98831	100.0
66.49099	1.5
69.79549	8.4
78.79578	1.5
96.06091	1.6
100.18507	1.4
100.39001	1.4
100.57648	1.5
101.94920	1.5
125.02452	2.7
128.02731	1.7
138.33656	1.6
151.69925	1.6
158.02652	1.6
169.01395	3.0
304.55298	1.7
326.78229	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	608.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
66.60182	2.0
77.76219	1.9
103.49636	1.6
125.02462	3.3
165.84561	2.3
169.01389	4.5
171.12621	2.1
183.25743	1.6
212.33798	2.2
267.20789	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	608.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03027	0.2
54.75702	0.2
57.03438	0.3
59.01385	1.6
59.74788	0.2
61.98828	100.0
63.14667	0.2
69.03474	0.3
70.12504	0.2
71.01366	1.1
71.51768	0.4
72.99287	0.2
73.02924	0.3
78.95916	0.4
78.98589	0.6
79.95732	0.8
80.96516	6.6
85.02957	0.5
87.00851	0.3
89.02431	0.2
94.98077	1.9
95.01392	0.3
96.96025	0.7
97.02980	0.3
101.02438	0.5
106.98112	0.3
108.92705	0.2
113.02457	0.5
122.97637	0.4
123.00841	0.6
125.02447	5.8
134.97588	0.4
137.02492	0.5
139.04109	0.2
148.99182	0.7
152.98633	0.6
161.02487	0.6
164.98586	1.3
167.03511	0.3
169.01419	7.7
177.01959	0.4
187.00984	0.2
197.11906	1.1
206.99683	0.4
211.13431	0.2
225.00781	2.1
243.01488	0.2
271.04794	0.3
287.05676	0.5
291.19611	0.4
299.04312	0.2
305.06873	0.3
309.20822	1.0
313.05423	0.3
457.07953	0.8
534.28381	1.7
539.33185	0.2
608.16730	2.0
608.26056	0.4
609.16412	0.5
609.25757	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	608.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96610	0.5
61.98831	100.0
69.20480	1.2
69.20886	3.9
73.62482	0.5
93.14934	0.5
142.96364	0.5
220.69722	0.5
223.16321	0.5
238.29997	0.6
278.97333	0.5
397.27365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15895	0.2
58.40059	0.2
61.98829	100.0
70.95348	0.4
71.01367	0.2
78.95926	0.4
79.95760	0.2
80.96526	0.4
93.76884	0.2
100.64214	0.2
123.00887	0.2
125.02460	2.9
125.55704	0.2
137.02443	0.2
140.46631	0.2
152.99599	0.4
154.95615	0.2
161.02469	0.3
165.09126	0.2
167.03496	0.2
169.01436	3.4
177.01959	0.2
193.01520	0.2
201.01891	0.2
260.26627	0.2
305.06863	0.4
348.08337	0.2
457.08041	0.5
608.25146	0.3
608.34601	0.8
609.26715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16626	0.2
51.74343	0.2
59.01366	0.4
61.98830	100.0
70.06995	1.0
71.01384	0.3
71.05061	0.2
80.96527	0.7
86.38376	0.2
97.02945	0.2
114.63027	0.2
115.87644	0.2
120.29102	0.2
123.00891	0.8
125.02457	1.9
126.02770	0.2
132.40570	0.2
140.01068	0.3
151.00381	0.2
168.00650	0.3
169.01425	2.1
170.01791	0.4
171.27666	0.2
214.91199	0.2
222.16969	0.2
225.00792	0.4
322.20901	0.2
373.52209	0.3
386.12137	0.3
534.13330	0.4
608.20520	3.7
609.26849	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65119	0.9
56.43788	1.0
59.01372	1.4
60.97823	0.8
61.98827	100.0
65.36478	0.8
66.62360	0.9
69.29156	8.3
80.80799	0.8
111.54070	1.0
117.75851	0.8
125.02441	13.0
137.02452	1.0
145.69504	0.9
161.02405	1.6
169.01418	17.6
177.01938	2.2
202.13205	0.8
243.02771	0.9
287.05698	1.2
287.19250	0.9
305.06784	1.8
439.06644	1.1
440.48868	1.0
457.07687	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	608.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21345	0.1
57.03466	0.2
59.01377	0.7
59.97927	0.1
61.98828	100.0
62.97430	0.1
62.98533	0.2
69.15115	1.3
71.01375	0.8
73.02945	0.2
78.95914	0.4
78.98592	0.4
79.95733	1.0
80.96513	4.9
81.03463	0.1
83.01392	0.1
85.02962	0.4
87.00893	0.3
89.02428	0.1
94.98090	1.2
95.01410	0.2
96.96032	0.2
97.02960	0.2
101.02434	0.2
106.98102	0.1
108.11716	0.1
113.02420	0.1
116.90006	0.1
122.97594	0.5
123.00925	0.3
125.02448	2.9
125.09727	0.1
130.08772	0.2
134.97604	0.3
136.96248	0.1
137.02466	0.4
139.00392	0.1
139.04019	0.1
148.99147	0.5
152.98679	0.4
152.99718	0.2
161.02461	0.3
164.98627	0.9
167.03571	0.3
169.01407	4.0
177.01987	0.2
193.01515	0.1
197.11876	0.3
206.99692	0.2
225.00734	1.2
227.12956	0.3
228.13216	0.2
270.78143	0.2
287.05505	0.2
299.04489	0.2
305.06766	0.4
313.05334	0.1
457.07648	0.5
534.28143	0.6
608.16864	0.9
608.27155	0.8
609.16809	0.3
609.25800	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	607.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68682	3.7
57.53299	3.2
60.99300	7.2
71.54944	7.0
78.95906	6.8
87.00862	5.0
88.00411	6.2
88.98811	45.3
89.02448	100.0
125.02442	4.6
149.74954	3.5
455.43103	3.7
551.92700	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	608.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71085	0.2
56.95792	0.1
61.98829	100.0
71.07508	0.4
75.60940	0.1
78.95930	0.2
84.48130	0.2
85.32274	0.2
86.97180	0.2
102.65891	0.2
107.01414	0.2
123.62643	0.2
125.02442	3.2
137.02441	0.3
153.08684	0.2
161.02499	0.4
165.01961	0.2
167.03456	0.3
169.01430	3.5
169.02824	0.3
177.01976	0.3
262.05106	0.2
287.05731	0.3
300.02884	0.2
305.06793	0.4
391.28394	0.2
416.11157	0.2
457.07776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23315	0.7
57.03439	2.2
59.01379	14.1
60.99282	0.8
61.98831	12.1
68.99821	1.1
69.03440	1.1
69.25169	7.3
71.01381	11.5
72.99329	4.0
73.02929	1.9
75.00874	12.8
78.02473	0.7
78.95911	0.8
79.95744	1.3
80.96522	9.1
81.03484	1.0
83.01381	1.4
85.02950	12.4
87.00876	5.0
88.98806	6.5
89.02440	2.9
94.98083	2.1
95.01421	3.7
96.95995	2.1
97.03011	0.8
99.00882	6.3
101.02435	1.6
101.04845	0.7
103.00335	1.0
109.02972	1.0
111.00842	0.7
113.02456	12.8
115.00368	0.9
117.01939	1.0
121.02958	0.8
122.97594	0.8
123.00883	1.6
125.02445	7.7
129.01900	1.0
137.02428	1.2
148.99171	0.7
151.00325	1.1
152.98650	1.0
157.25160	0.6
161.02399	1.1
164.98596	1.3
167.03453	0.8
169.01427	7.0
175.02454	1.0
177.01923	1.6
185.11790	0.9
199.13393	2.4
225.00761	3.3
249.06114	8.5
297.24319	1.5
321.24036	0.7
322.51541	1.0
327.25372	8.8
339.25400	3.2
357.26440	38.5
358.26706	2.4
359.28082	4.1
373.26193	1.0
547.30853	1.0
563.33466	0.9
607.24622	15.2
607.33423	100.0
608.24677	2.3
608.33789	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61899	1.4
57.03415	2.3
59.01361	2.7
61.98832	55.0
63.99260	1.6
65.80981	1.7
66.20866	1.5
71.01376	7.8
71.54154	2.0
71.54865	1.7
71.88209	1.5
78.95899	7.9
78.98586	4.5
79.95745	11.1
80.96519	55.7
86.61129	1.6
86.91463	1.8
87.00878	3.5
94.98087	10.8
96.95999	3.5
101.02430	2.7
106.98114	2.5
110.01869	1.5
122.97577	3.0
123.00880	1.9
125.02453	11.9
134.97563	4.8
137.02379	2.5
148.99109	2.9
152.98560	4.4
152.99588	6.8
164.98640	8.5
169.01401	8.1
177.01950	5.0
178.68633	1.7
208.80952	1.6
225.00745	11.7
241.01176	1.8
243.02864	2.4
270.38492	1.7
291.19714	5.0
299.04434	1.8
301.03647	1.7
401.42166	1.7
439.06516	2.1
588.66876	1.9
592.72577	2.1
607.24316	100.0
608.24884	12.1
613.22607	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2426
Annotation	Tiliasine
Peak:m/z	Relative Intensity
50.61899	1.4
57.03415	2.3
59.01361	2.7
61.98832	55.0
63.99260	1.6
65.80981	1.7
66.20866	1.5
71.01376	7.8
71.54154	2.0
71.54865	1.7
71.88209	1.5
78.95899	7.9
78.98586	4.5
79.95745	11.1
80.96519	55.7
86.61129	1.6
86.91463	1.8
87.00878	3.5
94.98087	10.8
96.95999	3.5
101.02430	2.7
106.98114	2.5
110.01869	1.5
122.97577	3.0
123.00880	1.9
125.02453	11.9
134.97563	4.8
137.02379	2.5
148.99109	2.9
152.98560	4.4
152.99588	6.8
164.98640	8.5
169.01401	8.1
177.01950	5.0
178.68633	1.7
208.80952	1.6
225.00745	11.7
241.01176	1.8
243.02864	2.4
270.38492	1.7
291.19714	5.0
299.04434	1.8
301.03647	1.7
401.42166	1.7
439.06516	2.1
588.66876	1.9
592.72577	2.1
607.24316	100.0
608.24884	12.1
613.22607	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01379	5.4
61.98831	54.9
67.01871	1.7
68.99840	0.5
69.03442	0.7
71.01374	6.4
71.05016	0.9
72.99299	1.4
73.02941	1.5
78.95924	0.7
79.01908	2.4
79.95762	1.0
80.24487	0.5
80.96508	0.7
81.03450	0.7
83.01374	1.3
85.02959	2.3
87.00865	0.8
88.61668	0.4
88.98803	2.0
89.02452	1.1
95.01390	3.5
96.95982	0.8
97.02955	0.6
98.19861	1.2
99.00874	1.1
99.01460	0.5
101.02415	3.4
107.01389	7.7
109.02911	0.9
110.00047	0.6
111.00873	3.3
113.02428	2.3
121.02966	3.2
123.00884	21.1
123.04431	0.6
124.01678	1.1
125.02448	27.7
126.02802	1.2
127.00362	1.6
128.99257	1.6
134.03703	1.5
136.98782	2.5
137.02420	0.7
139.00377	8.4
140.01157	6.8
141.01910	1.8
147.00919	0.7
149.02457	0.5
151.00368	11.4
151.04013	0.6
153.01880	0.9
161.02409	0.5
163.03922	0.7
165.01936	0.7
166.99838	2.0
167.03462	1.1
168.00674	6.0
169.01425	28.0
170.01740	1.2
177.01929	0.9
179.03438	0.6
181.08678	1.4
197.11879	0.6
207.06647	0.6
209.11758	0.9
211.02446	4.2
221.08160	1.7
223.02415	0.5
225.07722	2.8
227.13060	0.7
245.57852	0.6
267.08801	0.5
271.04510	1.2
303.04971	0.6
313.05658	1.4
385.11331	1.3
402.11575	4.4
403.12424	8.3
404.12650	0.6
445.33759	0.6
455.17145	1.0
459.12192	0.7
459.18750	11.8
460.18973	0.7
511.57632	0.5
533.12891	6.8
534.28320	0.7
563.34070	1.0
607.20221	100.0
608.20471	12.6
638.82977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33053	0.3
57.03442	2.3
59.01375	1.7
61.98834	1.2
67.01909	0.4
69.03470	1.1
69.21165	3.2
69.21493	0.4
71.01385	0.7
72.39111	0.3
75.00861	0.5
79.01891	0.6
81.03467	0.9
83.01400	1.3
85.02972	0.4
90.50777	0.3
94.22062	0.3
94.89638	0.3
95.01391	0.7
96.96012	1.8
97.02971	1.3
99.00887	0.3
101.02445	0.4
105.03468	0.8
107.01374	0.9
109.02952	1.1
111.00891	0.4
113.02451	0.7
119.05038	0.3
121.02952	0.4
123.00893	1.4
124.01647	1.0
125.02444	64.2
126.02800	1.4
137.02441	3.4
139.04031	1.2
143.03511	0.5
145.02937	0.5
149.02429	1.0
151.00394	0.6
151.04025	0.4
159.51743	0.3
161.02419	4.5
162.46019	0.3
163.04106	0.4
164.01163	0.6
165.01917	1.9
166.65761	0.3
166.99922	0.4
167.03511	2.6
168.00641	0.9
169.01418	100.0
170.01767	2.9
175.04018	0.3
177.01900	0.8
177.05598	0.6
179.03438	1.8
183.03070	0.4
193.01384	2.1
201.05632	0.5
219.06635	0.9
221.04529	0.6
227.03508	0.3
243.06766	0.3
269.04590	1.3
287.05582	2.1
289.07144	1.0
305.06628	7.5
306.07120	0.6
319.00952	0.7
319.04593	11.3
320.05002	0.8
331.04504	1.9
341.17426	1.1
344.62186	0.3
441.08289	1.0
455.09805	1.3
457.07761	8.8
458.07968	0.8
543.24353	1.0
544.24762	3.1
607.12634	0.4
607.28210	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
61.98830	100.0
70.98457	0.8
75.91064	0.3
78.95908	0.5
79.95722	0.3
80.55928	0.3
80.84335	0.3
94.66093	0.3
125.02439	1.4
137.02432	0.4
148.92802	0.3
152.99638	0.6
169.01385	1.5
230.62486	0.3
291.19598	0.5
316.99347	0.3
355.72205	0.3
474.06616	0.3
607.24847	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.3
60.99313	0.3
61.98829	100.0
71.01378	0.7
75.00872	0.4
78.95891	0.3
85.02962	0.3
88.98813	0.7
89.02441	0.3
90.39132	0.3
95.57219	0.3
96.96035	0.8
98.20687	0.9
101.02451	0.3
113.02467	0.4
125.02480	1.9
130.38721	0.3
137.02386	0.3
139.04094	0.3
157.30347	0.3
160.80191	0.3
169.01379	1.4
170.01744	0.4
177.01974	0.4
189.26447	0.3
385.57877	0.3
400.82086	0.3
466.57721	0.3
590.13501	0.3
606.18884	0.3
607.26416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
61.98831	100.0
66.37954	0.3
71.01397	0.6
71.24123	0.5
78.95910	0.4
85.02962	0.6
88.98817	1.0
94.68026	0.3
99.00928	0.4
101.02442	0.5
113.02428	0.4
123.00885	0.5
125.02458	2.1
138.55316	0.3
148.05962	0.3
153.03406	0.3
169.01407	2.6
170.01816	0.3
174.81036	0.3
200.87125	0.3
454.18069	0.4
562.34100	0.3
606.19635	0.9
606.29022	0.4
607.25018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.98829	100.0
70.97704	0.3
77.35738	0.1
78.95898	0.2
89.83913	0.2
101.58913	0.1
117.22892	0.2
123.00880	0.2
125.02454	0.6
152.99565	0.2
155.27664	0.2
169.01419	0.6
312.26804	0.2
587.65680	0.2
607.25146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
61.98830	100.0
69.40625	0.3
69.41030	1.1
71.01408	0.3
74.17964	0.1
78.19446	0.1
78.95925	0.3
80.96514	0.6
95.01391	0.2
101.02489	0.3
111.62646	0.2
123.00909	0.2
125.02451	1.2
137.02443	0.2
152.99608	0.4
154.01495	0.2
167.03531	0.3
169.01460	0.6
177.01886	0.3
209.11853	0.2
285.04120	0.2
368.83517	0.2
607.24536	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	606.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89840	0.3
59.01386	0.4
60.21326	0.4
61.98829	100.0
78.95927	0.5
80.96510	0.7
108.72043	0.3
115.83537	0.4
123.00855	0.3
125.02432	3.4
137.02457	0.7
152.99609	0.8
169.01414	2.0
177.01964	0.6
193.51674	0.3
349.87708	0.3
459.77341	0.3
521.25665	0.8
601.22186	0.4
607.24902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16518	0.2
59.01371	0.7
61.98830	100.0
69.20339	2.5
71.01385	0.9
72.99330	0.3
73.02935	0.3
78.95905	0.5
78.98605	0.4
79.95744	0.9
80.96512	4.2
81.03470	0.3
94.98083	0.9
97.02967	0.4
98.20686	0.6
109.02973	0.3
122.97562	0.3
123.00898	0.5
125.02451	1.8
134.97632	0.3
135.82536	0.2
148.99141	0.3
151.12198	0.2
152.99699	0.4
164.98616	0.7
165.12793	0.3
169.01402	1.4
220.47581	0.2
223.25592	0.3
225.00797	1.2
227.12920	0.8
228.05133	0.3
250.19896	0.3
291.19717	0.5
299.04480	0.3
313.25458	0.3
386.67920	0.3
551.21704	0.3
607.24847	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	605.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89758	10.4
59.01376	100.0
61.98829	15.9
71.01405	11.5
77.23511	12.1
77.67917	9.6
82.46437	9.1
89.02406	11.0
91.04031	48.8
158.30731	9.4
335.33353	54.3
379.32080	18.1
397.33163	38.3
453.35852	40.5
471.36612	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92444	1.0
59.01379	6.2
61.02604	0.8
61.98802	2.7
64.50572	0.9
66.88861	1.0
67.01868	1.7
69.03432	2.1
69.33232	2.2
69.33646	7.7
71.01350	2.8
72.99310	2.0
73.02935	2.6
75.00857	1.1
79.01886	1.4
83.01369	1.3
85.02940	3.6
87.00871	1.2
89.02475	1.0
95.01375	2.5
96.95988	1.4
99.00917	1.1
101.02400	1.7
107.01373	9.0
111.00871	2.5
113.02422	3.1
117.25816	0.9
123.00885	10.6
124.01638	2.5
125.02441	51.0
126.02758	1.7
135.00838	1.1
139.00360	4.2
139.03842	1.1
140.01123	3.8
140.07162	17.1
141.01917	1.7
151.00380	8.4
155.08798	0.9
165.01865	1.1
165.04034	1.9
167.03384	1.5
168.00638	6.7
169.01422	62.9
170.01689	2.0
179.03415	1.1
185.57388	1.2
211.02408	2.3
215.70189	0.9
219.21782	1.0
295.04517	1.2
313.05637	12.0
329.23611	1.0
396.93176	1.0
415.15997	1.1
454.13486	29.3
455.14182	2.2
457.70337	1.0
507.97699	1.0
543.23773	2.9
606.14563	100.0
607.14984	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11224	2.5
51.60406	3.3
52.18293	2.9
59.01368	12.4
61.98831	100.0
63.03062	2.4
63.78289	3.0
63.89449	2.8
71.01369	2.8
71.10568	4.4
78.74148	2.6
78.95904	3.0
125.02448	7.2
169.01357	5.4
195.83174	3.2
197.11873	16.1
211.13536	3.3
251.23578	2.6
253.09250	13.5
256.32263	2.8
264.52307	2.9
291.19736	6.3
309.20795	21.8
313.34067	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	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05443	3.6
57.03454	5.9
58.97963	3.0
59.01378	100.0
59.20649	2.9
61.98830	28.6
66.25618	3.2
68.00398	3.6
69.03442	4.2
71.01382	46.4
71.04172	5.3
71.04504	5.6
72.99314	10.1
73.02938	9.2
75.00871	10.7
78.95868	3.2
80.91697	4.5
83.01405	5.9
84.53783	3.2
85.02947	28.4
87.00889	10.7
88.98793	6.6
89.02463	18.8
89.67472	3.5
95.01402	10.8
96.96004	12.7
97.02967	5.8
99.00887	11.0
99.04503	4.8
101.02446	30.0
107.01384	8.4
108.02193	3.7
109.02995	6.1
111.00899	5.3
113.02454	27.9
121.65729	3.4
123.00857	8.5
123.04504	5.0
125.02440	47.6
129.01906	4.7
137.02484	6.4
139.00304	5.3
143.03510	5.5
151.00342	11.5
161.04601	4.8
167.03482	11.9
168.00700	4.4
169.01402	59.5
177.01942	4.9
179.05550	4.5
184.62669	3.8
187.04176	5.4
211.02449	6.9
233.04568	8.0
249.06064	3.6
271.04669	6.3
289.07053	5.1
301.03467	14.1
355.25079	9.5
357.26508	10.2
371.24179	6.5
380.52402	3.3
453.16513	3.9
496.95316	3.4
501.30679	66.8
519.31805	25.6
523.21759	12.8
535.73157	3.4
545.29565	10.1
561.32867	16.5
563.30615	6.9
605.11853	4.2
605.24164	33.1
605.32965	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	605.2405
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
54.69835	1.2
60.19415	1.2
60.66278	1.2
63.41922	1.1
64.12725	1.1
65.40329	1.2
74.29623	1.3
188.26968	1.4
229.56868	1.6
246.85254	1.1
267.21149	1.2
359.61249	1.3
429.17160	1.7
430.18460	1.5
443.19183	1.3
458.20917	1.4
459.17938	2.8
471.18329	2.8
473.19855	2.3
486.20486	3.8
487.20563	1.3
499.17581	2.8
501.22308	1.7
511.21057	3.3
513.18555	2.9
514.19965	8.8
524.04175	1.5
529.22461	100.0
530.22772	15.8
532.21429	2.4
533.21875	1.9
605.23395	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	605.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01192	1.1
56.15210	1.0
67.36803	0.9
69.52921	2.6
69.53331	4.8
78.95901	1.9
96.95988	1.1
105.43841	1.1
429.17111	2.3
430.17966	8.1
444.19528	4.1
445.20303	100.0
446.20740	11.9
459.21780	20.2
460.22604	6.1
462.17084	3.1
473.19995	2.2
478.87695	1.2
487.21204	1.7
504.21634	58.4
505.22003	8.7
505.43030	1.3
518.23230	14.3
519.23962	83.3
520.24304	12.4
573.24976	3.9
605.27643	52.3
605.37762	1.8
606.28448	7.3
629.68158	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	605.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08587	1.0
69.40069	5.2
69.40494	2.6
71.01361	2.5
72.99320	1.5
73.02961	0.9
77.78094	0.8
79.01891	1.2
79.02520	0.8
83.01392	1.7
85.02928	2.1
87.00870	1.2
95.01379	2.0
97.02933	1.8
99.14922	0.8
101.02428	1.0
106.06625	1.3
107.01390	10.2
108.78933	0.8
111.00858	2.9
113.02433	2.4
123.00893	15.5
124.01665	12.1
125.02447	54.1
126.02753	1.4
127.00385	1.6
130.48787	0.8
136.98825	2.4
139.00369	5.5
139.03981	3.3
140.01184	4.6
141.01886	1.0
146.68202	0.8
150.05606	1.4
151.00354	8.0
153.01772	0.9
154.41672	0.9
163.04002	1.2
166.02742	1.0
167.94627	0.8
168.00624	9.5
169.01424	64.9
170.01755	1.6
179.03424	0.9
183.02968	4.1
183.95570	0.9
196.04878	0.9
211.02379	1.5
237.03946	1.0
244.71837	0.8
273.56332	1.1
285.06137	1.0
295.04330	0.9
297.06210	1.9
313.05579	7.8
327.07321	1.0
365.62653	1.0
391.46765	1.0
435.09222	1.6
444.11407	1.1
453.10333	24.0
454.10477	1.6
465.06409	1.0
539.57336	1.0
567.59766	0.9
569.15375	1.5
605.11469	100.0
606.11737	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	604.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13827	0.4
59.01381	10.9
61.98830	100.0
69.49958	1.0
69.50371	2.0
70.11007	0.4
71.01382	13.4
83.01412	0.5
85.02986	0.8
88.33736	0.4
89.06075	0.6
98.20648	0.9
113.02431	0.8
121.02974	1.5
125.02412	0.4
162.37531	0.4
216.94675	0.5
237.07686	0.4
291.08792	1.3
381.12021	5.5
423.12738	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	604.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46030	0.9
56.77870	0.8
56.98367	0.9
59.01382	8.6
61.98830	8.4
66.03028	1.0
69.03456	1.8
69.38850	2.9
69.39277	3.8
71.01387	5.3
72.99301	1.4
73.02950	2.3
75.00881	1.4
79.01894	1.4
82.95423	3.6
83.01376	2.1
85.02957	4.5
87.00880	1.6
89.02451	2.2
95.01389	3.1
96.96001	2.5
97.02946	1.7
99.00877	1.6
101.02468	2.6
107.01374	6.5
109.02946	1.5
111.00863	2.6
113.02437	4.3
119.03408	1.0
123.00877	12.0
124.01717	1.4
125.02451	29.7
126.02763	2.7
135.03041	0.9
137.02457	1.6
138.02837	1.2
139.00430	4.4
139.03992	1.2
140.01160	1.5
141.01955	1.5
147.02980	1.0
149.02420	1.8
150.03246	6.0
151.00349	11.4
152.00789	1.7
153.01894	0.9
161.02484	1.8
165.01907	2.5
165.04279	1.0
165.05533	5.5
166.06200	3.5
167.03462	2.7
168.00613	3.4
168.03780	1.1
169.01425	35.5
170.01790	2.9
177.01886	1.7
180.04337	1.2
182.48596	0.9
195.06667	5.2
196.06894	2.6
211.02425	3.7
216.50879	1.0
223.13319	1.2
225.07690	1.5
249.06081	1.0
258.87527	0.9
265.08282	0.9
267.07297	1.8
271.04523	5.9
313.05600	4.2
373.12988	1.8
374.13379	1.8
393.72501	1.0
442.08600	2.3
452.12503	4.1
541.22900	100.0
542.23187	11.2
556.22650	1.6
604.13684	13.4
604.23285	1.8
605.13055	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	604.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36930	1.2
57.03444	4.0
57.86413	1.2
59.01371	3.0
69.03459	3.8
70.02986	2.3
71.01381	11.7
71.53709	1.0
71.54147	1.7
78.95901	16.9
85.02947	55.1
86.02505	1.4
87.00893	3.0
87.04510	5.6
89.02442	2.0
96.04552	100.0
96.96024	1.9
96.96938	2.2
97.02951	4.7
97.04873	1.5
98.02491	1.2
99.00886	2.2
101.02434	1.3
111.04492	1.4
112.04036	3.6
113.02451	9.0
115.03994	4.5
126.05560	1.7
128.03546	6.2
129.01947	11.1
139.04037	1.6
140.03517	3.2
140.77815	1.2
141.01912	5.0
142.01451	13.4
150.04214	2.4
151.06137	5.8
158.04582	40.1
158.92546	4.3
159.02972	3.1
159.77583	1.3
172.02473	2.7
173.04546	1.9
181.58467	1.1
184.02402	1.5
200.05634	3.5
201.04132	1.5
202.03566	19.5
218.06641	1.8
219.05130	4.6
262.05664	50.5
344.04041	1.7
358.71777	1.5
424.00543	1.9
442.01605	2.1
573.16797	1.6
604.06836	4.9
604.16669	2.8
605.19232	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79844	1.5
54.30946	1.5
57.03445	3.5
59.01373	5.4
64.68547	1.5
65.21008	1.5
66.48939	2.0
67.69480	1.5
69.03447	3.4
70.02959	2.6
71.01381	16.8
71.52889	1.6
73.02946	2.6
78.95917	13.9
85.02946	52.1
86.02483	2.1
87.00873	4.0
87.04504	6.6
89.02445	3.3
95.01434	1.9
96.04552	100.0
96.96956	2.7
97.02946	6.9
97.04965	1.5
98.02470	2.1
99.00874	3.2
107.46800	1.7
112.04037	2.0
113.02448	10.0
114.02023	1.8
115.04005	3.1
118.48244	1.7
126.05598	2.4
128.03510	6.5
129.01918	9.8
140.03520	3.8
141.01924	5.7
142.01463	13.7
144.34357	1.7
150.04266	2.2
151.06128	6.5
158.04581	32.7
158.92549	3.9
159.03030	2.2
172.02513	1.8
173.04379	1.9
202.03564	18.2
218.06702	5.8
219.05064	5.4
238.08539	1.7
262.05673	47.3
328.61533	2.0
442.01746	2.0
480.06091	2.0
604.06732	4.6
605.09814	2.9
605.19281	26.3
614.10449	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	604.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.5
61.98825	2.9
62.71118	0.7
63.02403	1.1
65.00325	1.7
67.01882	1.7
69.03437	1.5
69.33743	0.7
69.34010	7.1
71.01389	4.0
73.02930	1.6
74.72000	0.7
75.00877	1.4
79.01888	2.0
81.07115	0.9
83.01409	2.2
85.02943	2.6
89.02461	1.2
95.01405	3.2
96.96008	2.8
97.02928	1.8
99.00903	0.9
101.02441	2.2
107.01398	15.8
108.01719	2.2
109.02944	2.9
111.00884	3.5
112.21523	0.8
113.02440	3.2
120.78833	0.9
121.02934	1.1
123.00884	14.2
123.03239	1.2
124.01670	3.4
125.02447	57.9
126.02773	2.0
127.00415	0.9
136.98817	1.7
137.02438	5.5
138.01913	0.8
138.02878	1.4
138.05606	18.2
138.06630	1.4
139.00378	6.7
139.02879	0.8
140.01180	4.3
141.01903	1.4
149.02341	0.9
149.04453	0.9
151.00381	17.0
152.00684	5.0
153.00795	1.5
154.01134	0.8
161.02464	0.8
165.01907	0.9
165.05501	0.9
167.03636	1.3
168.00644	7.0
169.01434	62.7
170.01756	3.6
173.04617	0.8
177.01949	0.9
178.99844	3.6
179.01270	0.7
179.03525	1.7
180.00209	2.7
181.05072	0.8
193.01440	1.4
211.02489	1.9
260.04440	0.9
267.07217	1.1
271.04602	1.0
303.32718	0.9
313.05652	10.5
314.06027	1.4
315.57333	0.8
317.03024	8.0
318.03369	10.5
319.03519	11.1
320.03870	8.6
365.59836	0.8
434.11163	1.4
451.12466	1.0
452.12143	36.3
453.12378	2.6
541.22894	9.5
603.13641	1.4
604.13263	100.0
605.13226	10.1
605.20966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.1
61.98832	4.1
65.04176	2.8
69.03445	2.8
71.01393	6.9
85.02952	2.7
87.00871	5.0
96.95972	16.2
98.95592	5.2
101.02399	3.5
107.01389	14.3
111.00913	5.2
113.02469	4.5
123.00874	16.5
124.01640	8.4
125.02451	83.3
128.94940	2.8
136.98746	3.5
137.02409	7.0
137.24413	2.6
139.00334	6.1
140.01163	4.5
141.01918	3.4
149.04581	6.0
151.00372	8.1
167.03487	4.7
168.00609	8.8
169.01418	93.4
169.24617	3.3
178.02348	3.2
268.19272	3.0
313.05627	11.5
340.55603	3.9
389.10910	6.6
406.23257	3.1
453.10596	45.2
465.06760	5.8
541.12262	21.3
604.15894	4.9
605.11365	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	604.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92958	0.5
57.03460	1.1
59.01383	4.8
61.98839	1.8
67.01897	1.2
69.03460	1.2
69.29187	0.6
71.01383	5.5
72.99313	1.7
73.02934	1.2
75.00871	1.3
79.01905	0.9
81.03465	1.2
83.01393	1.6
85.02965	3.1
87.00861	1.3
89.02491	0.6
89.71574	0.5
95.01421	2.0
95.68538	0.6
96.95995	1.0
97.02959	2.0
99.00869	1.3
101.02450	1.9
107.01393	9.8
108.02193	7.0
109.02948	1.6
111.00903	2.0
113.02434	3.4
117.03482	1.2
119.05024	6.0
120.05383	2.1
123.00893	8.7
123.04546	0.8
124.01672	1.2
125.02450	88.0
126.02785	3.9
136.98860	0.9
137.02467	1.5
138.01970	51.9
139.00316	3.7
139.02290	1.3
140.01170	2.5
141.02023	0.8
143.03488	1.5
145.02940	1.5
149.02426	1.6
150.03242	1.3
151.00386	5.7
153.01897	0.8
161.02446	3.8
163.04018	3.6
164.04399	1.2
165.01964	1.1
165.05522	0.8
166.99879	1.2
167.03505	1.5
168.00650	4.7
169.01425	100.0
170.01773	4.7
177.01949	2.0
179.03500	1.2
181.01358	0.6
181.04988	0.6
193.01390	2.6
195.06613	1.0
205.01376	0.9
211.02454	2.5
217.01497	1.2
223.02599	0.8
227.03242	0.6
237.04063	0.9
241.03409	1.1
253.03603	0.8
267.07162	1.8
271.06284	1.1
272.06531	1.4
295.04654	2.8
305.06650	0.9
311.05441	0.9
313.05646	24.6
314.05884	0.9
319.26877	0.6
357.05881	0.6
405.04343	0.8
434.09015	0.9
452.08078	9.3
453.08383	0.6
457.13641	1.0
458.13669	1.6
465.06702	33.5
466.07108	2.9
501.19815	0.7
541.22809	1.5
560.19788	0.7
603.30157	0.7
604.09418	98.9
605.09845	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	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
57.03447	4.2
58.00605	1.3
59.01381	100.0
61.98833	4.8
69.03462	1.6
71.01383	55.2
71.54099	1.2
72.01735	0.9
72.99309	4.3
73.02952	12.9
75.00867	3.0
75.32644	0.7
82.95416	2.0
83.01373	5.7
83.26749	0.8
84.02183	1.0
85.02953	23.9
87.00871	4.8
88.98827	1.0
89.02447	24.1
95.01379	7.3
96.95998	2.5
97.02953	1.5
99.00890	5.5
101.02448	31.1
107.01384	1.0
111.00874	4.0
113.02456	30.0
116.23921	0.8
119.03516	10.1
123.00941	2.4
124.01682	3.2
125.02453	15.8
129.01958	2.1
131.03516	1.5
134.97452	0.8
137.02393	0.9
139.04057	1.0
140.01094	1.0
143.03493	5.9
148.79845	0.9
150.41232	0.9
151.00388	1.2
159.02963	2.0
161.02403	2.0
161.04553	10.0
167.03499	1.3
168.00603	1.2
169.01422	14.2
177.01903	1.8
179.05608	2.8
193.01299	1.1
249.06094	1.3
267.07175	1.8
357.06155	0.9
381.22849	3.8
399.23813	8.9
423.23532	1.2
436.79413	0.9
451.10513	2.0
469.24319	1.4
507.25784	1.1
541.22876	1.7
543.28101	68.5
544.28510	8.6
561.29163	67.7
562.29462	7.0
579.35425	1.0
603.15039	1.3
603.30499	14.0
604.31201	1.2
624.86426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	7.7
59.01379	47.6
61.98833	11.1
71.01378	16.4
71.55617	4.4
80.40945	3.9
89.02441	10.7
96.95989	4.9
97.06580	14.3
101.02426	15.4
113.02464	8.3
119.03522	7.6
125.02441	15.3
151.11273	15.4
160.56125	5.2
161.04474	6.9
165.12823	16.5
169.01425	10.5
181.12314	16.3
183.13934	5.0
191.10732	5.0
194.07733	4.3
209.11844	51.4
211.13304	6.3
227.12862	12.5
245.19023	15.6
253.09273	32.0
260.52988	4.2
263.20166	27.1
287.01773	4.5
289.18106	29.6
306.51706	4.6
307.19193	100.0
308.19266	9.5
315.01584	7.1
443.09161	5.7
445.20813	23.4
543.27814	9.3
603.17126	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	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.1
57.09739	2.8
59.01381	36.5
61.98544	2.8
61.98822	21.6
69.76064	10.1
71.01372	12.2
73.43719	2.3
83.01378	5.1
83.05022	5.5
85.02953	6.3
89.02458	9.9
95.05013	3.7
97.03010	3.0
97.06600	5.3
101.02435	15.0
102.37299	2.8
112.66565	3.2
113.02444	6.4
125.02435	11.3
125.09692	6.7
126.02694	2.9
145.05275	2.8
149.06100	3.1
161.04495	3.2
163.11308	9.5
165.12834	5.3
169.01384	10.4
169.12358	3.6
171.10269	5.6
185.11795	8.8
189.83534	2.6
191.14404	7.7
207.10176	3.7
209.11858	21.9
237.11209	5.8
245.19090	18.7
253.09294	41.8
271.17032	3.8
289.18085	100.0
290.18320	7.2
307.19131	89.3
308.19470	5.3
342.34821	2.8
423.51334	3.1
543.28326	4.5
603.30164	18.3
604.30560	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24443	1.3
57.03439	1.7
59.01375	43.4
61.98817	6.4
69.03445	1.6
70.37845	4.4
71.01377	11.9
72.82937	1.5
73.02952	2.6
81.03419	2.2
81.14532	1.6
83.01379	3.6
85.02960	4.9
87.00872	2.6
89.02433	9.5
95.05072	2.0
97.02931	3.6
97.06578	5.5
101.02444	10.9
109.38869	1.5
113.02442	4.8
119.03594	1.7
121.06557	1.8
123.04514	3.5
125.02431	6.0
125.09740	7.7
137.09723	6.4
141.12930	1.6
149.06168	1.9
161.04588	4.3
163.11282	10.1
165.12778	1.8
169.01392	4.5
182.21552	1.9
185.11824	6.9
189.12971	1.7
191.14401	13.4
207.10239	5.3
209.11798	23.0
211.13332	1.7
217.15871	2.6
225.11363	4.4
235.08112	1.9
237.11269	4.0
245.19064	19.2
246.19249	1.7
253.06631	3.2
253.09268	45.2
263.20157	4.9
271.16916	2.7
277.14520	1.6
289.18100	100.0
290.18329	5.5
307.19144	98.2
307.21866	1.5
308.19470	5.7
543.27765	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39482	3.8
51.44408	3.2
57.03453	6.3
59.01381	59.6
60.66054	4.3
61.98832	9.3
69.49789	31.3
71.01382	23.2
83.05007	6.0
89.02459	9.9
97.06565	6.0
101.02470	11.9
101.93196	3.7
107.52726	4.2
113.02439	6.9
122.31285	3.8
125.02436	6.2
139.04085	4.3
144.44733	3.7
151.11305	12.3
155.10748	4.9
161.04459	6.5
165.12837	17.7
167.03496	4.1
169.01459	6.0
179.10789	7.1
181.12321	11.2
191.10840	7.3
204.14975	4.2
209.11810	53.9
227.12833	9.8
245.19055	16.0
253.09236	35.1
263.20172	19.0
289.18024	22.2
307.19138	100.0
308.19406	4.7
445.20847	22.8
543.28326	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	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99315	10.8
68.55845	7.3
71.01327	6.6
71.10604	11.9
71.28040	8.1
78.95927	10.0
88.00397	15.7
88.98798	78.8
89.02446	100.0
96.95978	8.5
125.02361	8.7
169.01501	11.4
177.01871	7.7
178.92543	8.1
183.12885	7.6
206.45917	6.8
237.46089	7.5
241.56471	8.1
422.78207	8.4
494.36557	9.4
507.72836	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	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49240	6.0
54.13295	5.4
60.99296	17.3
61.98819	18.0
78.95895	33.1
80.93296	5.6
82.84762	5.9
88.98809	100.0
89.02441	62.6
96.95976	7.7
125.02424	12.5
134.22015	6.5
152.99588	20.7
158.78639	5.8
165.29645	6.5
171.10269	35.3
295.22894	8.2
307.09467	6.7
431.21701	14.0
515.14001	6.0
586.93091	7.6
603.33307	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	603.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53927	0.9
57.03445	1.7
69.03441	1.1
69.82855	5.6
81.03461	1.9
83.05026	38.3
93.03502	1.2
96.96006	1.1
109.02943	1.7
109.06583	2.9
111.04498	2.3
120.05847	1.4
125.02440	9.0
133.06587	1.2
135.04547	1.7
135.08151	3.5
137.02452	2.9
139.04041	1.8
147.08145	3.6
149.09673	1.3
151.07619	2.8
153.05568	16.0
153.15555	1.0
165.01900	2.2
167.03423	1.9
169.01434	1.4
169.10170	2.9
171.08128	1.7
177.84296	1.3
179.03526	1.6
187.11290	7.9
190.09865	1.0
190.80902	1.0
193.12263	1.0
205.12344	11.1
219.06595	1.5
221.04611	1.1
235.11493	1.0
235.13437	10.4
272.50076	1.0
297.13431	100.0
298.13815	8.0
305.06631	10.7
306.07138	1.1
385.80731	1.1
478.69016	1.1
603.13885	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	603.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79831	2.2
57.03461	3.8
59.01384	35.0
61.98824	2.7
68.99827	2.5
70.82706	4.9
71.01395	13.5
72.99295	3.4
75.00870	10.2
81.03474	2.6
83.01360	2.7
85.02973	16.4
87.00887	2.9
88.84679	2.2
89.02451	8.1
93.03465	2.7
94.89121	2.1
95.01382	5.4
96.95991	5.4
99.00880	5.1
101.02441	3.7
102.16022	2.3
105.03487	3.0
107.01379	7.1
109.02966	4.8
111.00811	2.9
113.02451	26.0
119.05013	3.5
121.02880	2.9
123.00873	6.8
125.02447	72.3
139.00383	3.5
139.03961	2.3
140.01167	3.0
145.02988	2.7
150.03261	6.2
151.00333	6.3
161.02454	30.1
161.13371	5.2
165.05530	7.8
167.03494	5.2
168.00603	5.1
169.01422	100.0
170.01773	3.4
175.02434	2.6
177.01936	16.6
189.01965	7.5
193.01399	4.5
195.06609	6.6
198.14143	2.3
205.12265	9.2
209.61281	2.3
211.02438	7.9
211.29149	2.1
217.01390	15.1
229.05109	6.8
231.02922	3.4
249.06117	19.7
267.07193	44.3
268.07623	3.1
271.06497	19.4
311.05490	7.4
313.05685	3.9
321.04007	2.3
339.04892	2.3
357.06250	4.6
358.61838	2.3
373.25208	2.5
375.27350	6.4
387.76474	2.1
431.83441	2.9
433.09116	7.9
451.10956	22.2
455.19174	31.3
456.19528	3.2
477.08328	3.1
499.18060	12.5
517.18854	2.9
523.31177	2.9
540.21692	14.4
559.20227	18.1
560.20422	3.3
603.13501	62.7
604.13574	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	603.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43933	1.3
57.03450	1.9
59.01384	42.4
61.98814	2.6
68.99804	1.9
69.03476	2.8
69.33048	1.3
71.01385	18.2
71.56197	1.4
71.56540	1.4
72.99302	4.3
73.02940	2.5
75.00868	11.7
79.40117	1.2
81.03471	2.4
83.01378	2.2
85.02946	21.1
87.00875	7.9
89.02444	4.8
89.50914	1.2
93.03451	2.4
94.70570	1.1
95.01399	6.5
97.02949	2.0
99.00882	7.0
101.02461	1.3
103.00402	3.7
105.03452	2.8
107.01387	1.7
109.02936	7.2
111.04528	2.4
113.02455	30.3
116.92858	2.3
117.01910	2.5
119.05021	2.5
121.02921	1.7
123.00850	2.2
123.04468	1.2
124.01688	1.7
125.02443	60.0
126.02808	1.7
126.54730	1.3
129.01956	2.4
133.02945	1.6
139.00398	2.3
139.03979	2.5
145.02959	2.2
151.00400	6.2
152.00728	4.5
153.00867	3.1
161.02455	27.2
161.06139	1.8
161.13332	3.7
162.02728	1.5
167.03477	2.7
169.01421	100.0
170.01701	3.3
175.02412	2.5
177.01930	15.9
178.99835	2.6
187.11322	2.6
189.01868	8.1
193.01411	6.1
197.40108	1.2
205.12364	10.3
211.04150	1.4
217.01411	13.7
219.02890	1.4
229.05095	7.7
231.02881	2.3
241.05121	2.7
249.06174	20.0
267.07211	71.6
268.07474	2.1
269.04532	2.2
271.06149	22.1
283.06058	2.3
301.03534	4.9
302.03949	10.5
303.04059	13.9
304.04276	7.8
305.04611	4.0
311.05765	6.5
339.05023	1.4
341.06717	1.7
357.06137	11.1
375.27487	2.1
433.09143	5.5
451.10330	25.0
452.10721	2.8
455.19241	48.0
456.19562	4.7
477.08289	2.0
499.18204	16.2
500.18588	1.5
517.19086	3.9
541.22772	1.4
559.20367	29.5
560.20496	4.2
603.11743	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	603.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17818	0.8
54.90580	1.0
59.01376	3.8
60.95369	0.8
61.98822	1.6
69.49221	4.4
69.49625	2.1
71.01374	2.9
71.19810	0.9
72.99306	1.4
74.08203	0.9
79.01869	1.0
89.02448	1.1
95.01387	2.7
97.02929	1.7
101.02425	2.0
107.01397	11.3
110.00021	0.9
111.00896	3.6
113.02448	1.6
119.05025	2.3
123.00900	13.1
124.01662	3.0
125.02450	45.3
127.00386	1.6
137.02499	0.9
137.06082	1.3
139.00375	6.2
140.01186	5.8
141.01894	1.2
145.31084	0.9
151.00369	12.1
155.40939	0.9
168.00639	7.0
169.01430	49.9
170.01802	1.5
179.03447	1.1
181.01402	1.2
195.06642	2.3
211.02489	1.4
225.07642	1.1
271.04565	1.6
313.05554	2.7
451.12460	61.4
452.12741	3.9
459.96002	1.2
465.07013	1.1
555.22260	1.2
603.13586	100.0
604.13849	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	603.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43208	0.2
58.47474	0.2
58.85059	0.3
59.01376	2.1
61.98831	1.3
69.03457	2.2
71.01401	1.4
71.02519	0.5
72.99293	0.4
79.01898	0.4
81.03454	1.1
81.15550	0.3
85.02969	0.6
87.00845	0.4
89.02450	0.7
93.03458	1.5
95.01386	0.8
95.05043	0.7
96.96028	0.8
97.02959	1.6
101.02448	0.6
105.03464	1.0
107.01393	0.7
109.02965	2.6
111.04527	0.9
113.02453	0.8
117.03429	0.5
119.03523	0.3
119.05032	0.8
119.92895	0.3
121.02959	0.8
122.25018	0.3
123.00862	1.4
124.01671	1.1
125.02450	57.5
126.02770	1.4
126.14234	0.3
133.02992	1.3
137.02438	1.2
139.00352	0.3
139.04015	2.5
140.01190	0.3
145.02939	1.6
146.13480	0.3
149.02431	0.7
151.00403	0.9
151.04050	0.3
157.06570	0.3
161.02452	9.5
161.06082	1.2
162.02837	0.5
163.03966	0.3
165.01932	0.5
166.99799	0.5
167.03482	2.7
168.00610	0.5
169.01424	100.0
170.01775	3.1
175.00053	0.3
177.01930	8.3
178.02365	0.3
179.03458	0.6
189.01923	5.4
190.02461	0.4
191.03487	0.5
192.12259	0.3
193.01410	8.3
194.01799	0.4
201.01962	0.4
201.05656	0.3
203.03297	0.3
205.01370	0.3
216.00621	0.9
217.01398	7.5
217.03508	0.4
218.01819	0.4
219.02905	0.7
219.06389	0.3
227.03499	0.3
227.07007	0.3
229.05072	5.0
231.03027	0.8
233.04510	0.5
239.07042	0.3
241.05101	0.8
243.06471	0.7
269.04532	1.7
271.06125	12.4
272.06430	0.6
283.06177	1.6
287.05664	0.7
295.06094	0.6
305.06842	0.6
311.05557	4.0
312.06070	0.3
319.04428	1.4
321.04056	0.6
339.05096	0.6
351.95728	0.3
357.06158	8.0
358.06219	0.5
383.04037	0.4
389.09909	0.4
433.09265	3.1
451.03922	0.6
451.10315	11.5
452.10956	1.4
477.08408	3.0
540.21887	0.5
541.22827	1.2
603.12012	0.9
603.29865	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	602.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95587	0.8
57.03431	1.4
59.01385	1.6
61.98831	100.0
71.01377	0.9
71.53671	1.4
78.95885	1.0
79.05302	0.7
79.34473	0.7
92.16168	0.8
95.01364	0.9
96.96030	1.3
98.41550	0.8
118.61712	0.8
125.02452	14.1
125.74030	0.7
134.84413	0.7
137.02399	1.4
145.98518	0.8
152.62479	0.7
152.99602	0.8
154.55103	0.7
161.02470	5.0
163.49344	0.7
168.67697	0.7
169.01381	4.5
171.10217	1.0
211.13380	1.2
235.08524	0.8
287.05621	1.5
559.49121	0.9
580.60547	0.8
602.29797	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77410	0.7
57.03453	0.9
59.01379	7.9
60.43187	0.7
61.98816	2.2
69.03449	2.1
69.42813	1.7
69.43221	4.1
71.01377	3.4
72.99323	1.6
73.02914	0.8
75.00870	2.3
79.01899	1.0
81.03476	1.1
83.01379	1.0
85.02924	4.4
87.00875	1.8
89.02426	1.3
89.48772	0.8
93.03468	3.5
95.01385	1.4
95.05036	1.8
96.96035	1.1
97.02962	1.4
99.00872	2.0
101.02462	1.5
104.00832	0.7
105.03436	3.9
107.01394	2.4
108.02233	0.9
109.02948	5.5
111.00896	1.3
111.04518	1.6
113.02431	6.1
119.05019	3.5
121.02977	0.8
123.00868	4.1
123.04521	0.8
125.02447	68.7
126.02808	1.6
133.02960	3.8
137.02489	2.0
139.04010	4.5
140.01292	0.7
145.02956	3.4
149.02396	1.4
150.03209	1.2
151.00378	1.8
157.06613	2.0
158.01273	0.8
159.04524	1.3
161.02438	46.5
161.06076	1.7
162.02756	1.6
163.03972	1.4
165.05569	1.2
167.03511	4.4
168.00671	1.7
169.01427	100.0
170.01799	1.8
175.07614	1.1
177.01932	22.0
178.02336	0.8
179.03523	1.2
181.05081	1.3
189.01939	10.4
191.03581	1.1
193.01404	5.1
193.85437	0.7
195.06601	1.2
201.02097	1.0
201.05635	1.3
203.03465	1.3
205.12323	2.1
216.00485	1.2
217.01413	19.0
219.03021	1.7
227.07133	2.7
229.05074	8.4
231.03107	1.6
233.75293	0.7
234.83437	0.7
241.05113	2.0
243.06612	2.3
249.06146	4.8
256.03735	1.2
267.07230	9.6
269.04538	3.7
271.06140	39.3
272.06570	1.7
275.79907	0.9
283.06152	3.2
305.06619	2.1
311.05630	9.6
313.05661	2.2
321.04010	3.2
339.05048	2.7
357.06247	8.5
372.12106	0.8
373.26337	0.9
415.07886	1.8
433.09268	17.1
434.09543	1.7
451.10321	24.3
452.10767	2.9
455.19354	5.2
465.06665	2.5
477.02509	0.8
477.08261	4.3
499.18347	3.2
540.21747	1.4
559.20117	3.3
565.11896	1.1
603.13300	11.9
603.27795	1.2
604.13153	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
59.01379	9.8
61.98832	12.8
70.77323	1.0
70.92433	1.2
70.92747	1.1
71.01382	6.3
72.99323	1.4
75.00852	1.7
85.02950	3.7
87.00864	1.6
88.98796	3.2
89.02441	2.3
90.86678	1.1
93.03445	1.2
95.01364	1.7
96.96003	3.7
99.00893	1.5
101.02429	2.1
101.75418	1.0
103.00369	1.4
107.01398	6.9
108.01672	1.5
109.02943	1.5
111.00877	2.1
113.02464	4.8
119.26462	1.0
122.03741	1.2
123.00906	9.8
124.01666	1.2
125.02452	22.3
125.18603	0.9
126.02751	2.0
135.04526	2.7
136.04784	1.1
137.02441	1.6
139.00386	3.4
140.01112	1.3
141.01978	1.1
149.02431	1.3
149.47212	0.9
150.03224	5.3
151.00354	9.9
152.00677	2.0
161.02463	2.5
165.05556	7.4
166.06325	1.1
168.00626	3.0
169.01414	21.3
170.01718	1.4
194.99321	2.3
195.06644	8.6
195.99756	1.2
200.91985	0.9
211.02473	5.8
227.03500	1.4
228.03789	1.1
249.06148	4.4
255.02959	3.6
256.03360	3.6
267.07126	7.9
271.02057	1.2
271.04547	5.9
284.03146	4.9
285.03668	9.2
286.04083	2.2
313.05707	3.8
317.03101	1.8
318.03320	3.1
359.15082	2.3
374.26440	1.3
451.12381	8.3
455.18805	6.4
476.09402	4.1
499.18140	3.0
539.21332	100.0
540.21771	11.4
559.20435	3.6
564.14325	13.1
566.14313	1.8
602.11951	4.1
602.21906	1.3
603.13300	2.6
630.30908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96102	0.8
57.03461	0.8
59.01375	6.8
60.99317	1.0
61.98833	13.3
67.01887	0.9
71.01382	4.6
71.55413	1.3
72.99316	1.7
75.00866	1.1
79.01910	0.9
79.30888	0.8
85.02950	3.1
87.00878	1.2
88.98785	4.7
89.02442	1.7
89.75771	0.8
95.01383	1.6
96.95999	2.4
99.00969	1.0
99.69312	0.9
101.02431	3.0
107.01383	7.0
108.01691	1.8
109.02961	1.3
111.00866	1.9
112.61559	0.8
113.02442	3.4
119.05053	2.8
123.00892	9.0
125.02454	21.1
126.02744	1.3
126.35910	0.8
127.00370	0.8
135.04526	2.3
136.98782	1.2
137.02318	1.2
139.00446	4.3
140.01134	1.6
140.76352	0.8
141.01877	1.7
149.02377	1.7
150.03242	4.7
151.00372	9.1
151.34718	0.8
152.00703	1.8
161.02493	1.3
163.04005	1.8
165.01820	1.1
165.05559	4.1
168.00632	3.3
169.01422	21.7
170.01868	0.9
177.02013	0.8
193.95177	0.8
194.99303	3.0
195.06622	4.5
195.99727	1.3
211.02486	2.8
227.03557	1.0
255.02939	1.5
256.03351	2.0
267.07184	3.3
271.04596	3.8
284.03271	2.4
285.03687	4.0
286.04013	1.3
313.05627	3.0
317.02814	2.3
318.03384	2.4
340.03952	0.9
359.14981	1.7
447.58325	0.9
450.10934	1.1
451.12518	7.3
455.19037	1.0
457.13364	1.2
475.08972	1.4
476.09174	5.1
522.29962	0.9
539.21307	100.0
540.21661	10.2
564.14301	6.6
567.17279	0.9
602.12018	3.1
602.26251	1.6
603.12915	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	602.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22211	1.3
59.01380	6.0
61.98826	24.4
62.23565	1.3
71.01388	3.6
71.55415	1.5
72.99331	1.2
78.26987	1.1
79.95750	2.2
83.01379	1.6
85.02962	1.8
89.02451	2.5
93.03461	1.4
95.01376	2.4
96.96018	15.9
107.01419	7.1
109.02968	1.4
111.00885	2.6
113.02439	2.7
123.00887	7.5
124.01688	2.6
125.02448	57.2
126.02792	4.1
127.00362	1.6
136.98779	2.2
137.02448	2.4
139.00377	4.2
139.04080	1.6
139.36484	1.1
140.01169	4.5
151.00400	7.5
152.01093	1.6
163.87743	1.2
165.01949	7.0
166.02295	1.7
168.00652	14.7
169.01427	71.0
170.01741	5.1
171.01930	1.5
178.99843	1.9
211.02481	61.0
237.04221	1.5
241.03497	1.7
244.07092	1.8
269.04437	1.5
271.04587	100.0
272.04941	4.6
285.03864	2.8
286.04355	2.7
287.04709	2.3
288.05508	2.5
313.05579	9.4
314.06198	1.6
331.06693	48.8
332.07001	3.9
362.88959	1.4
388.61627	1.5
451.12585	6.9
465.06735	5.0
492.19678	1.4
539.21344	33.2
540.21936	4.5
558.13599	1.5
602.11060	23.3
603.13269	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	602.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96102	0.8
57.03461	0.8
59.01375	6.8
60.99317	1.0
61.98833	13.3
67.01887	0.9
71.01382	4.6
71.55413	1.3
72.99316	1.7
75.00866	1.1
79.01910	0.9
79.30888	0.8
85.02950	3.1
87.00878	1.2
88.98785	4.7
89.02442	1.7
89.75771	0.8
95.01383	1.6
96.95999	2.4
99.00969	1.0
99.69312	0.9
101.02431	3.0
107.01383	7.0
108.01691	1.8
109.02961	1.3
111.00866	1.9
112.61559	0.8
113.02442	3.4
119.05053	2.8
123.00892	9.0
125.02454	21.1
126.02744	1.3
126.35910	0.8
127.00370	0.8
135.04526	2.3
136.98782	1.2
137.02318	1.2
139.00446	4.3
140.01134	1.6
140.76352	0.8
141.01877	1.7
149.02377	1.7
150.03242	4.7
151.00372	9.1
151.34718	0.8
152.00703	1.8
161.02493	1.3
163.04005	1.8
165.01820	1.1
165.05559	4.1
168.00632	3.3
169.01422	21.7
170.01868	0.9
177.02013	0.8
193.95177	0.8
194.99303	3.0
195.06622	4.5
195.99727	1.3
211.02486	2.8
227.03557	1.0
255.02939	1.5
256.03351	2.0
267.07184	3.3
271.04596	3.8
284.03271	2.4
285.03687	4.0
286.04013	1.3
313.05627	3.0
317.02814	2.3
318.03384	2.4
340.03952	0.9
359.14981	1.7
447.58325	0.9
450.10934	1.1
451.12518	7.3
455.19037	1.0
457.13364	1.2
475.08972	1.4
476.09174	5.1
522.29962	0.9
539.21307	100.0
540.21661	10.2
564.14301	6.6
567.17279	0.9
602.12018	3.1
602.26251	1.6
603.12915	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	602.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	6.2
61.73336	1.2
61.98829	23.3
63.02410	1.1
69.93289	1.1
70.90334	1.1
71.01397	3.5
71.53923	1.6
73.02936	1.6
85.02942	1.6
87.00906	1.3
88.58583	1.2
96.96018	15.8
99.00923	1.3
101.02457	1.3
107.01421	7.1
111.00866	2.8
113.02455	2.1
118.85003	1.1
123.00893	7.3
124.01685	2.3
125.02450	50.9
126.02754	2.3
127.00414	2.2
132.28867	1.1
135.04547	1.3
136.98782	1.6
137.02411	1.8
139.00392	3.5
139.03975	1.3
140.01123	3.8
151.00365	7.0
165.01857	5.3
167.03502	1.8
168.00616	13.3
169.01430	57.5
170.01758	3.5
178.99864	1.6
211.02484	56.2
212.02771	2.2
241.03517	2.9
271.04584	100.0
272.05020	4.3
272.72772	1.4
286.04446	1.7
313.05637	7.4
314.05972	1.9
317.02850	1.4
318.02740	1.2
331.06726	45.6
332.07108	1.9
451.12393	3.5
465.06888	5.0
539.21320	33.2
540.21594	3.5
558.13330	2.3
602.12390	14.1
602.24585	1.3
603.12537	15.7
629.88361	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44941	0.9
57.03434	1.7
58.00593	1.0
59.01103	1.4
59.01381	20.6
61.98833	15.7
69.84573	0.9
71.01376	11.9
72.99294	2.2
73.02939	3.6
75.00862	2.1
81.03468	1.2
81.09123	0.9
83.01358	2.4
85.02945	6.3
87.00884	2.3
88.98796	6.4
89.02446	3.4
93.03463	1.2
95.01398	3.3
96.96004	6.5
97.02984	1.3
98.19915	2.2
99.00909	2.2
99.04521	3.5
101.02446	7.0
107.01418	6.6
109.02959	1.9
111.00874	3.8
113.02461	5.5
115.03881	1.1
116.92854	1.5
121.02990	1.5
122.09050	1.0
123.00890	14.2
123.04513	1.4
124.01669	2.0
125.02441	34.1
126.02820	1.9
135.04436	1.2
136.98810	1.0
137.02432	4.0
139.00375	6.4
139.03998	1.1
140.01132	3.4
141.01900	1.7
145.02980	0.9
149.02492	1.2
150.03223	1.0
151.00362	9.5
161.02458	1.4
165.01955	1.0
167.03485	4.0
168.00673	4.6
169.01422	42.5
170.01787	3.2
171.01695	1.1
177.01886	1.4
178.99846	1.3
189.01810	1.2
193.01410	1.2
207.33769	0.9
211.02493	4.8
212.02771	1.9
245.08290	1.1
269.21097	2.2
271.04501	7.9
272.04901	4.1
287.22263	16.8
289.07162	4.7
301.23535	1.2
313.05594	2.3
317.02997	3.7
331.06619	1.9
332.06946	1.5
344.91116	1.2
387.14633	4.4
431.26382	1.1
449.13947	2.3
449.27536	35.3
450.27954	3.0
511.16040	4.0
538.20209	1.4
539.15424	3.0
557.29883	6.1
583.27740	1.8
601.14191	4.1
601.28674	100.0
602.15253	1.4
602.18091	1.3
602.28845	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11792	1.0
57.03444	1.4
59.01374	6.6
61.98828	12.7
65.00317	1.6
67.01890	1.6
69.03452	1.2
69.21946	7.4
69.22372	3.3
69.72652	1.1
69.73033	1.1
71.01379	7.2
72.99297	2.7
73.02949	1.5
75.00813	1.2
79.01899	2.0
83.01404	1.7
85.02957	4.7
87.00847	1.5
89.02438	1.3
93.03492	1.6
95.01397	3.7
96.95995	4.0
97.02940	1.6
98.19858	2.6
101.02438	3.6
107.01394	18.9
107.05038	1.6
109.02925	1.2
111.00866	4.1
113.02477	5.2
121.02950	14.5
122.03744	3.0
123.00878	17.1
123.04545	1.2
123.14890	1.2
124.01685	2.0
125.02451	84.4
126.02809	2.4
127.00328	1.3
133.02951	4.3
135.04527	30.6
136.98805	2.7
137.02443	2.4
139.00381	7.8
140.01189	5.3
141.01913	1.6
150.03220	2.3
151.00362	13.6
168.00638	9.3
169.01424	100.0
170.01833	2.6
178.99768	1.2
182.02252	1.8
185.11781	1.3
194.99402	1.3
211.02446	3.3
223.02415	1.7
228.07957	8.8
229.08499	1.2
237.03967	1.9
243.10257	23.7
287.09241	3.9
295.04498	1.8
297.06372	1.7
301.03473	1.6
302.03647	1.9
303.04211	1.4
313.05655	21.7
317.02744	2.2
371.24130	1.4
373.25909	4.7
421.15741	1.1
449.14377	16.9
465.06619	2.0
539.21191	1.4
557.16638	28.4
558.17059	3.3
583.14563	1.7
601.14545	93.8
601.28851	6.0
602.15985	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	601.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.4
59.01367	3.5
71.01373	4.1
71.54185	1.4
79.01855	1.3
83.01375	0.7
84.11671	0.7
85.02933	1.2
87.00912	1.1
89.02430	1.8
95.01401	1.9
96.96008	2.7
97.02965	0.7
97.36763	0.7
101.02438	2.7
107.01394	10.1
107.05089	0.8
111.00878	2.4
116.92830	1.2
123.00899	9.4
124.01628	1.1
125.02452	43.6
126.02790	1.8
127.00396	1.2
132.53674	0.7
135.06702	0.8
136.98824	1.6
137.02359	1.1
139.00362	3.3
140.01151	2.7
141.01898	1.2
151.00383	5.4
158.01106	0.8
167.03523	0.9
168.00652	4.5
169.01427	57.4
170.01762	2.6
175.04030	0.6
177.01938	1.5
201.29022	0.8
202.05865	0.6
211.02464	2.8
225.21045	0.7
263.40945	0.7
269.06696	1.2
271.04498	3.7
295.04599	1.5
313.05698	3.8
431.12079	2.0
449.12997	27.3
450.13181	1.8
601.14105	100.0
602.14514	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15778	0.8
55.26947	0.9
57.03440	1.6
59.01377	4.4
60.00201	0.7
60.23658	0.8
61.98829	14.1
65.00328	0.8
67.01887	0.9
69.03445	1.9
71.01371	3.2
71.53997	1.6
73.02930	1.6
81.03440	1.5
83.01382	2.3
85.02940	2.5
88.98800	2.4
89.02422	1.0
89.93465	0.8
93.03445	2.6
95.01386	2.6
96.96001	3.5
97.02937	1.8
101.02450	2.5
107.01394	10.3
108.02165	1.0
109.02926	1.2
111.00888	2.4
113.02446	3.2
123.00891	9.9
124.01649	2.7
125.02452	72.0
126.02789	2.4
127.00491	0.9
135.03488	1.3
135.04532	22.6
136.98872	1.0
137.02446	2.2
139.00392	4.2
139.01299	0.7
139.03978	0.9
140.01166	2.3
141.01985	1.3
151.00366	8.2
153.01979	0.8
155.03348	1.0
164.01115	0.9
165.05505	0.9
166.99835	1.3
168.00645	4.6
169.01431	76.6
170.01753	1.9
177.01952	1.1
178.99838	1.4
191.03548	1.0
205.71892	0.8
207.03090	0.9
211.02409	2.0
225.37309	0.8
271.02335	2.2
295.04623	2.2
313.05679	16.7
314.06039	1.9
316.02280	5.2
317.03012	3.1
359.61917	0.8
417.12192	0.9
431.10104	1.8
434.17288	0.9
449.11261	12.1
450.11511	1.2
465.06848	3.2
470.05948	0.8
520.18695	1.0
538.20129	4.8
539.21283	2.9
601.12000	100.0
602.12231	12.7
613.08246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.12
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Peak:m/z	Relative Intensity
51.20104	1.0
57.03428	4.8
58.61411	1.2
59.01369	2.1
61.98820	1.8
63.02382	1.4
65.00306	3.3
67.01871	1.1
69.03408	1.8
70.04715	2.6
70.05109	2.4
71.01376	3.6
81.03459	2.5
83.01382	5.0
85.02913	1.8
93.03458	3.1
95.01318	1.2
96.95992	3.4
97.02934	2.1
98.19937	1.5
101.02440	1.8
107.01387	13.0
109.02950	1.6
113.02417	2.8
117.03487	1.9
123.00890	7.0
124.01650	3.0
125.02444	98.8
126.02769	2.5
133.02924	1.6
136.98781	1.5
137.02431	4.1
139.00348	3.7
140.01082	3.2
141.78578	1.3
149.02403	2.2
151.00354	16.6
152.01123	4.0
153.01964	6.6
157.06569	1.4
159.04475	1.2
163.00319	2.1
165.01900	4.5
167.03429	1.9
168.00652	6.3
168.02965	2.3
169.01419	72.4
169.06549	1.3
170.01715	2.5
173.06070	2.8
176.01138	2.3
177.01877	1.6
177.05618	2.0
177.47198	1.1
178.99860	7.5
179.03419	1.4
180.03006	3.0
186.06833	1.1
196.95862	1.2
197.06102	1.8
199.07642	1.2
201.05498	3.4
211.02431	13.6
213.05571	1.1
215.07060	3.0
219.06618	1.1
225.05495	4.4
241.05164	2.3
243.06567	6.5
259.06085	20.6
268.03732	2.7
269.04541	67.2
270.04865	3.7
271.04584	16.7
271.10602	1.0
277.21771	1.1
283.36304	1.2
287.05594	11.5
288.05850	2.4
288.08768	22.5
313.05609	32.0
314.05939	1.4
331.06735	2.0
439.08737	6.5
449.11017	1.8
450.14359	6.1
465.05899	1.4
494.07208	1.8
538.19604	2.6
539.21155	5.1
583.10883	16.2
584.10901	3.0
601.11884	100.0
602.12994	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	601.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03373	1.4
59.01314	0.6
61.15746	0.5
61.98745	0.9
63.02296	2.2
64.80972	0.6
65.00224	6.3
65.00591	1.2
69.90788	2.9
71.01309	0.8
81.03362	1.0
83.01271	4.7
89.53658	0.6
96.95927	1.0
97.02866	0.7
107.01266	14.4
107.02039	1.1
109.02948	7.0
111.00781	0.8
117.03356	0.8
123.00890	3.6
123.04393	0.9
124.01553	1.6
125.02452	26.6
126.02682	0.9
133.02879	0.9
134.03676	0.9
135.00758	0.7
135.04553	3.0
137.02446	18.8
137.09570	0.8
137.34755	0.6
139.00275	0.9
140.01091	1.1
151.00369	46.8
152.00903	2.5
163.00272	2.3
165.01802	2.0
168.00650	3.1
169.01425	25.7
170.01654	1.1
171.04472	0.6
173.06003	1.1
175.03815	0.6
178.99855	23.4
179.03447	1.4
180.00055	0.8
187.03885	0.9
190.99876	0.7
192.00545	1.6
193.01346	2.0
199.03848	1.1
201.05463	1.9
203.03397	1.9
211.00687	0.8
211.02467	9.7
212.02692	2.2
215.06955	0.8
217.01515	0.8
225.05496	1.7
227.03391	2.2
241.03589	0.6
242.05756	0.6
243.02861	1.6
243.06641	4.0
259.06088	2.8
261.03967	1.3
269.04553	21.2
270.04782	1.2
271.02271	2.8
271.04718	15.0
272.04996	4.1
283.04453	0.7
287.02032	1.0
287.05466	1.1
299.01941	1.1
313.05667	8.2
316.02310	3.9
317.03012	100.0
318.03329	6.2
331.06720	2.3
332.07117	1.6
355.06653	0.8
449.11450	11.4
450.11392	0.9
475.08911	5.0
507.08456	0.7
538.20349	3.5
601.12134	38.6
602.12238	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	601.1202
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Peak:m/z	Relative Intensity
57.03437	0.6
59.01387	3.3
61.98827	3.5
63.32494	0.3
65.23174	0.4
66.06655	0.4
67.01895	1.2
68.08958	0.3
68.99812	0.8
69.03455	1.6
69.28350	2.6
69.28765	0.6
69.30089	0.4
71.01382	3.1
72.99302	1.0
73.02935	0.9
79.01881	1.1
81.03455	0.7
83.01397	0.9
85.02948	2.2
85.51186	0.4
87.00896	0.5
88.98806	0.7
89.02452	0.7
93.03435	0.4
95.01366	1.8
96.96020	0.9
97.02975	1.8
99.00903	0.4
99.29444	0.4
101.02419	1.8
107.01383	10.1
107.05020	0.8
109.02947	0.8
110.00084	0.5
111.00867	2.4
113.02443	2.1
116.92863	0.4
121.02971	0.7
123.00884	9.3
124.01701	2.3
125.02444	68.0
126.02755	1.7
127.00386	1.2
134.03740	1.9
135.04521	49.3
136.04863	1.7
136.98792	1.5
137.02478	1.1
139.00380	5.1
140.01140	3.6
141.01956	0.9
142.08215	0.5
143.03503	0.9
149.02400	0.7
149.05998	0.4
150.03178	0.4
151.00363	6.8
151.03937	0.4
151.10408	0.4
152.00716	0.5
153.01910	0.7
161.02423	0.7
165.05579	0.5
166.99826	1.2
167.03439	0.6
168.00644	6.2
169.01416	78.1
170.01804	2.4
177.01955	0.7
177.05582	0.9
178.99879	0.6
179.03505	0.4
180.94119	0.4
183.59462	0.4
189.01921	0.4
191.03572	0.5
193.01411	1.4
193.05157	0.6
211.02473	1.6
212.04794	0.3
223.02382	1.1
233.22891	0.4
235.02422	0.5
237.04044	1.6
241.03532	0.5
253.03566	1.0
289.94974	0.4
295.04608	3.2
297.06094	1.0
301.03592	0.9
302.03842	1.1
303.04074	1.1
313.05634	14.9
314.05899	0.9
317.02994	1.3
373.25912	1.6
405.04565	0.5
431.09808	1.8
449.10867	14.9
450.11194	1.3
465.06763	3.8
601.11945	100.0
601.27924	3.3
602.12311	12.0
626.55811	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.12
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Peak:m/z	Relative Intensity
57.03440	1.6
57.21582	0.9
59.01372	3.6
61.98827	15.3
63.98299	1.0
66.67284	0.8
69.03445	2.1
69.52707	5.6
71.01362	2.6
73.02919	1.4
79.01878	1.2
83.01372	2.2
85.02946	2.5
87.00881	1.6
88.98807	4.1
89.02427	1.2
93.03461	2.7
95.01366	2.1
96.13316	0.9
96.96031	5.3
97.02927	1.9
98.20595	2.2
101.02472	1.3
107.01393	9.5
109.02966	1.1
111.00878	3.2
113.02447	3.0
119.05008	1.0
123.00887	10.2
124.01665	2.1
125.02446	71.9
126.02769	1.5
127.00372	1.1
135.04526	21.4
136.98792	0.9
137.02444	3.3
139.00359	4.4
140.01152	3.5
151.00386	8.8
163.03955	1.2
165.01855	1.7
166.99774	1.4
167.03430	1.5
168.00665	4.9
169.01419	78.6
170.01717	1.6
171.89368	0.9
175.03966	1.2
177.01978	1.6
193.01283	1.4
211.02492	3.2
221.04660	1.0
253.03790	0.9
269.04572	1.7
271.02423	2.4
271.04935	1.6
272.02866	1.0
285.03937	1.0
295.04584	1.7
313.05667	19.1
314.05945	1.7
316.02255	6.2
317.02960	2.4
445.31781	1.0
449.11169	13.9
465.06595	3.4
537.19800	1.9
538.20068	5.9
539.21313	5.0
540.08081	0.9
557.22552	1.8
601.12000	100.0
602.12396	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	601.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10118	0.2
53.52147	0.1
59.01373	0.8
60.99313	1.6
61.98830	11.7
63.02399	2.3
65.00320	4.4
65.00669	0.3
67.01886	0.3
69.03467	0.2
70.98067	0.2
70.98389	0.3
71.01372	0.4
81.03465	0.4
83.01384	3.0
85.02941	0.2
88.98808	8.3
93.03468	0.2
95.01394	0.3
96.95982	0.4
97.02963	0.2
101.02409	0.3
101.08227	0.2
107.01394	9.0
109.02953	7.6
111.00910	0.4
113.02492	0.3
119.01398	0.3
121.03044	0.2
123.00897	1.1
124.01642	0.6
125.02441	4.9
126.02792	0.3
135.00916	0.5
135.04466	0.2
137.02438	18.1
138.02798	0.3
139.00415	0.4
149.02412	0.3
150.03191	0.2
151.00365	34.2
152.00760	0.7
155.03484	0.4
159.04494	0.4
161.02530	0.2
161.06082	0.2
163.00369	2.5
164.01117	0.8
165.01927	2.2
168.00679	0.6
169.01408	5.1
170.01741	0.4
171.04491	0.4
175.03946	0.3
177.01933	0.4
178.99850	23.8
180.00169	0.7
183.04527	0.4
185.02415	0.3
185.44798	0.2
187.03975	0.4
189.02014	0.2
189.05688	0.3
190.99805	0.7
191.03513	0.3
192.00626	1.9
193.01349	1.8
195.06604	0.2
199.03970	0.8
203.03499	0.5
211.02338	0.9
214.02678	0.4
215.03410	0.3
217.05106	0.2
219.03059	0.2
227.03462	1.4
228.03938	0.2
229.01323	0.3
243.02942	1.5
245.04633	0.4
255.02917	0.4
259.02487	0.3
259.06110	0.2
261.04022	0.9
269.04602	0.2
270.01733	0.3
271.02316	3.7
271.04712	0.7
272.02768	0.3
281.01074	0.2
283.04590	0.3
285.04016	0.4
286.04401	0.2
287.01923	0.9
287.04807	0.2
288.02353	0.3
289.03580	0.6
299.01984	1.3
313.05554	0.6
316.02234	2.8
317.02997	100.0
317.99634	0.3
318.03311	5.9
449.07178	1.0
537.19824	1.5
538.20093	2.5
539.21252	0.7
601.08301	16.8
601.24017	0.7
602.08478	1.6
624.56091	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.9
57.92186	0.5
59.01384	4.1
61.90861	0.5
61.98830	29.3
63.02399	2.6
65.00320	4.6
69.03455	0.6
71.01373	2.4
73.02950	0.7
75.00858	0.7
83.01387	3.4
83.06725	0.5
85.02941	1.1
87.00874	1.0
88.98801	2.1
89.02440	0.9
93.03453	0.9
95.01385	0.8
95.04163	0.6
96.96006	4.1
101.02474	0.7
107.01387	9.2
109.02939	6.2
113.02441	1.4
113.97079	0.5
116.92899	0.6
123.00876	2.8
123.04485	1.1
125.02457	12.9
127.00398	0.5
135.04503	0.7
137.02441	17.5
137.31450	0.5
139.00339	1.1
149.02435	1.8
150.03226	2.2
150.58597	0.6
151.00369	36.6
151.03975	0.9
152.00726	0.6
155.03506	0.7
159.04602	0.8
163.00352	2.3
164.01054	0.6
165.01923	2.5
165.05566	2.4
166.02596	0.9
168.00647	1.6
169.01430	10.8
170.01782	0.9
175.04041	0.8
177.01970	0.8
178.99858	24.1
181.05029	1.9
189.05797	0.6
190.99867	1.0
192.00610	1.8
193.01358	2.1
194.05904	0.6
195.06525	1.0
199.03900	0.9
203.03482	0.6
209.08168	1.5
211.02458	2.1
215.03506	0.8
227.03467	1.9
229.48503	0.7
243.02959	1.5
243.06674	1.9
261.04056	0.9
271.02106	3.6
271.04700	2.2
272.04855	0.8
281.00769	0.6
285.04050	0.6
287.01859	0.9
287.05197	0.8
299.01825	1.1
303.04547	0.7
313.05496	1.5
316.02271	2.2
317.03000	100.0
318.03329	6.1
373.25916	1.6
389.25336	3.3
404.21475	0.6
449.07047	1.5
508.34543	0.5
521.22028	1.0
521.29559	3.0
523.19824	0.7
537.19739	4.4
538.20258	7.7
539.21228	2.3
557.12848	1.1
601.08197	17.7
601.24243	3.8
602.09027	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03383	1.2
63.02310	1.9
63.02588	0.8
65.00225	6.7
65.00595	1.4
65.98191	0.7
71.01315	1.5
72.11553	0.7
81.03378	1.3
83.01278	4.0
96.95960	1.0
107.01388	12.9
107.04960	0.8
109.02934	6.1
110.05479	0.8
111.00775	1.0
117.03368	1.2
120.67510	0.8
123.00774	2.5
123.04450	1.1
124.01544	1.6
125.02460	26.4
125.80869	0.7
126.02673	0.8
127.00271	0.8
133.02841	0.9
135.04385	2.6
137.02446	16.9
139.00288	1.3
140.01039	2.0
141.01797	0.7
149.02327	1.0
151.00375	44.8
152.00891	2.7
159.04402	1.2
163.00247	2.6
164.01003	0.8
165.01808	1.2
167.03362	1.3
168.00665	4.3
169.01430	29.6
170.01665	1.0
173.05914	0.8
178.99858	23.3
179.03317	1.6
183.04381	0.9
190.99800	0.9
192.00534	2.7
193.01311	2.8
199.03897	1.3
201.05489	1.5
202.76222	0.8
203.03336	1.5
211.02480	12.5
212.02776	0.8
215.07034	0.8
225.05484	1.5
227.03416	1.8
229.68375	0.9
241.03459	1.2
243.02852	1.5
243.06598	4.5
259.06091	1.5
261.04016	0.9
269.04547	23.6
270.04929	1.4
271.02274	3.1
271.04715	18.3
272.04831	2.5
287.02029	1.8
287.05466	1.7
289.03433	0.9
299.01862	1.8
304.82001	0.8
313.05627	7.4
316.02225	4.5
317.03021	100.0
318.03397	5.3
331.06696	3.6
332.06921	1.3
449.11334	14.9
450.11731	1.1
475.08945	5.8
476.50214	0.8
537.19958	1.8
538.20642	2.2
601.12152	40.0
602.13062	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	601.0276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70171	0.8
59.01377	100.0
60.01719	1.6
61.98832	3.1
64.25503	0.8
71.54623	1.5
74.53263	0.8
88.42961	0.8
90.97170	0.7
115.02517	7.0
117.00471	6.0
132.98186	1.7
156.99899	1.9
157.03542	1.7
159.01488	75.9
160.01665	3.9
174.99242	17.5
176.98103	7.7
201.02538	25.6
202.02660	1.5
206.57764	0.9
217.00290	52.6
218.00661	1.5
259.01508	2.6
274.99313	3.4
276.24536	0.8
283.01581	0.9
301.02640	60.6
302.02820	8.3
314.98920	0.8
316.89011	0.7
317.00406	39.9
318.00534	2.7
359.01495	20.0
360.01743	1.5
374.99442	1.5
401.02853	1.1
404.10812	0.8
459.01538	13.8
460.02130	1.2
498.99228	1.9
541.00604	38.6
542.00897	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	600.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.6
61.98832	32.5
65.00314	1.1
68.68574	0.8
69.50927	5.3
71.01389	5.0
72.99313	1.4
73.02963	0.9
85.02959	2.7
87.00880	2.1
88.98808	2.2
89.02434	1.9
93.03477	2.0
95.01425	1.7
96.96026	4.4
98.19985	1.7
101.02439	3.0
102.38851	1.1
102.67070	0.9
107.01389	5.3
109.83406	0.9
110.00061	1.2
111.00874	1.5
113.02446	2.5
121.02940	2.9
123.00882	10.7
124.01688	1.7
125.02452	22.3
126.02743	1.9
135.04524	2.1
136.98827	1.0
137.02448	3.5
139.00377	3.1
139.03987	1.0
140.01143	2.8
150.03232	1.9
151.00362	9.7
152.00764	1.0
165.05588	1.7
167.03494	1.2
168.00662	4.8
169.01428	29.4
170.01768	1.9
177.01967	1.9
178.99873	1.8
181.05083	1.2
193.01468	1.1
195.06586	1.3
211.02448	5.8
218.56734	1.0
269.04440	1.1
271.04633	9.3
285.03836	1.8
286.04486	1.6
287.05832	1.2
300.02725	1.8
301.03195	3.2
302.03989	1.3
313.05649	3.3
317.03000	5.0
332.89728	1.1
365.85117	1.1
373.26273	1.8
447.09631	1.5
448.09763	6.1
449.10666	2.8
521.29272	2.3
528.74323	1.0
537.19781	100.0
538.20062	12.7
547.17059	1.0
600.11023	2.8
600.22461	2.8
601.24481	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	600.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.1
59.01379	4.4
61.98837	12.1
63.75512	0.8
65.13676	0.7
69.28741	6.9
70.60852	0.8
71.01365	3.0
76.07915	0.7
79.01907	1.1
80.32726	0.9
83.01386	0.8
85.02946	1.0
86.13226	0.8
95.01399	1.2
96.96014	1.5
100.29483	0.8
101.02464	1.9
107.01404	2.3
111.00848	1.9
113.02460	1.4
123.00908	9.7
124.01630	1.6
125.02448	16.6
126.02821	1.0
129.08426	0.8
137.02426	1.2
139.00381	4.4
140.01126	1.6
151.00374	7.2
168.00620	4.8
169.01428	22.1
170.01680	1.9
178.99855	1.6
211.02512	6.6
255.02904	2.1
256.03317	1.2
271.04669	10.6
272.02847	1.7
284.03146	1.0
285.04013	6.4
286.04379	5.1
300.02780	1.7
301.03308	4.5
302.03915	1.7
313.05518	3.1
314.06076	1.9
317.02960	1.9
395.09296	0.9
447.09210	3.1
448.09918	7.2
459.12924	0.8
537.19794	100.0
538.20178	10.4
600.10547	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	600.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
59.01377	3.4
61.98814	4.3
63.02392	2.5
65.00319	8.9
71.01376	3.2
76.81254	0.7
79.01884	1.2
81.03448	1.0
83.01382	5.8
85.02958	1.4
89.02419	1.3
95.01397	0.7
96.96000	3.4
98.19875	2.8
101.02446	1.7
107.01389	16.8
107.05029	1.1
109.02984	6.2
111.00900	2.2
113.02468	1.8
121.02906	0.8
123.00898	6.6
123.04562	1.0
124.01707	2.1
125.02450	44.3
126.02769	1.5
133.02960	1.2
135.04503	3.0
136.98782	1.1
137.02438	19.2
137.03496	1.1
139.00368	3.7
140.01158	4.1
149.02455	0.9
150.83592	0.9
151.00371	45.0
152.01143	2.8
157.06537	0.9
163.00378	2.0
165.01932	3.3
167.03516	1.3
168.00647	11.1
169.01424	48.8
169.14314	0.7
170.01738	2.2
175.04016	1.7
177.05530	1.2
178.99855	26.8
179.03374	1.4
182.03569	0.7
192.00658	1.6
193.01395	2.7
199.04001	2.0
201.05537	1.3
203.03493	1.4
211.02475	46.3
212.02869	1.2
222.19633	0.7
225.05501	1.9
227.03590	1.7
229.89661	0.8
240.24362	0.9
241.03462	1.3
242.05713	0.9
243.02943	1.0
243.06502	4.2
245.04581	1.0
255.02995	1.6
259.06125	2.7
261.03964	0.9
269.04553	22.6
271.04605	86.7
272.04889	3.8
285.03574	1.4
287.01968	1.6
287.05576	1.7
288.74319	0.9
289.03656	1.5
299.02023	1.3
307.11401	0.8
313.05640	9.5
314.05887	0.9
316.02219	3.6
317.03006	100.0
331.06702	34.8
332.07138	1.5
337.25143	0.9
449.11438	13.4
475.08862	5.2
482.35434	0.9
537.19763	28.8
538.19794	3.5
557.12915	1.7
575.88220	0.8
600.10669	7.8
600.25214	1.5
601.12152	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
59.01377	3.4
61.98814	4.3
63.02392	2.5
65.00319	8.9
71.01376	3.2
76.81254	0.7
79.01884	1.2
81.03448	1.0
83.01382	5.8
85.02958	1.4
89.02419	1.3
95.01397	0.7
96.96000	3.4
98.19875	2.8
101.02446	1.7
107.01389	16.8
107.05029	1.1
109.02984	6.2
111.00900	2.2
113.02468	1.8
121.02906	0.8
123.00898	6.6
123.04562	1.0
124.01707	2.1
125.02450	44.3
126.02769	1.5
133.02960	1.2
135.04503	3.0
136.98782	1.1
137.02438	19.2
137.03496	1.1
139.00368	3.7
140.01158	4.1
149.02455	0.9
150.83592	0.9
151.00371	45.0
152.01143	2.8
157.06537	0.9
163.00378	2.0
165.01932	3.3
167.03516	1.3
168.00647	11.1
169.01424	48.8
169.14314	0.7
170.01738	2.2
175.04016	1.7
177.05530	1.2
178.99855	26.8
179.03374	1.4
182.03569	0.7
192.00658	1.6
193.01395	2.7
199.04001	2.0
201.05537	1.3
203.03493	1.4
211.02475	46.3
212.02869	1.2
222.19633	0.7
225.05501	1.9
227.03590	1.7
229.89661	0.8
240.24362	0.9
241.03462	1.3
242.05713	0.9
243.02943	1.0
243.06502	4.2
245.04581	1.0
255.02995	1.6
259.06125	2.7
261.03964	0.9
269.04553	22.6
271.04605	86.7
272.04889	3.8
285.03574	1.4
287.01968	1.6
287.05576	1.7
288.74319	0.9
289.03656	1.5
299.02023	1.3
307.11401	0.8
313.05640	9.5
314.05887	0.9
316.02219	3.6
317.03006	100.0
331.06702	34.8
332.07138	1.5
337.25143	0.9
449.11438	13.4
475.08862	5.2
482.35434	0.9
537.19763	28.8
538.19794	3.5
557.12915	1.7
575.88220	0.8
600.10669	7.8
600.25214	1.5
601.12152	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76125	0.9
57.03439	1.5
59.01374	8.5
60.35834	0.8
61.98827	10.4
65.00316	1.2
69.29050	5.7
71.01383	3.9
72.99326	1.3
73.02934	1.5
75.00887	1.7
78.91893	1.3
80.91674	0.9
83.01402	1.6
85.02952	2.0
87.00883	1.3
89.02473	1.2
93.03484	1.2
95.01350	1.2
96.96023	2.8
99.00894	1.2
101.02460	1.9
105.51466	0.9
107.01392	3.5
109.02952	1.7
113.02454	2.2
121.02954	3.4
123.00877	1.6
124.01698	1.6
125.02461	12.9
129.32976	0.9
135.04552	1.2
137.02478	2.9
139.04088	0.8
149.02354	0.9
149.81743	0.8
151.00359	7.9
151.04102	1.3
155.03429	1.0
160.01678	3.7
161.02432	1.5
166.06259	0.9
167.03448	1.8
167.32042	0.8
168.00674	1.6
169.01436	11.7
170.01749	0.9
171.10321	4.8
175.03897	1.3
178.99910	2.9
183.03009	1.8
205.08673	1.6
209.11853	4.0
223.09787	1.6
227.03493	1.2
242.09506	3.0
246.08891	1.0
249.06175	1.0
255.02922	1.4
257.11795	2.6
268.07388	1.0
269.08093	1.4
270.08887	9.1
271.02386	1.2
281.08292	1.0
284.07144	1.1
285.04153	1.9
285.11346	9.5
286.08517	2.2
297.07675	1.0
298.08453	5.5
299.09280	7.9
301.03540	17.8
301.10831	2.4
302.03943	1.8
310.08582	1.3
311.09235	3.4
313.05869	1.4
313.10727	3.6
314.08005	8.2
323.09482	0.9
325.05569	1.8
325.10773	4.2
326.07935	3.6
326.11353	1.4
329.10287	26.9
330.10825	2.0
340.13202	1.2
341.06125	1.5
341.10294	29.9
342.10602	3.0
344.12619	36.9
345.12891	2.6
356.12650	15.0
357.13104	1.5
359.14996	100.0
360.15338	6.6
371.14975	65.2
372.15210	5.0
389.16711	1.0
599.10913	3.4
599.26245	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	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86103	0.8
57.03416	1.5
58.00554	1.0
59.01378	15.3
61.98830	19.7
65.00288	1.7
67.01872	1.6
69.03458	3.7
71.01380	11.8
72.99283	1.8
73.02908	3.2
75.00873	6.3
79.01876	1.0
79.95700	2.3
81.03421	0.9
83.01335	2.8
85.02941	4.6
87.00826	1.0
89.02452	7.2
93.03423	1.3
95.01334	2.7
95.95186	0.7
96.96011	43.0
97.02951	4.3
98.95563	1.3
99.00877	4.3
99.04489	1.3
101.02370	3.2
107.01394	11.7
109.02884	3.3
110.00037	0.9
111.00875	5.0
113.02383	3.4
118.33598	0.7
119.03510	1.0
119.04945	1.0
121.02884	2.9
123.00883	13.7
123.04465	0.8
125.02447	43.4
127.00293	2.1
129.01848	1.2
131.03430	1.6
136.05217	1.3
136.98724	2.0
137.02342	3.5
139.00385	7.7
139.03903	2.5
140.01157	7.1
141.01834	1.7
145.02826	0.9
148.28009	0.8
149.02368	1.0
149.06018	0.8
151.00368	18.2
153.01814	2.2
155.03415	1.2
161.04546	0.8
163.00227	2.0
163.03952	0.9
164.01117	0.9
165.01915	3.6
166.99826	1.4
167.03349	3.2
168.00656	5.2
169.01421	58.3
170.01613	2.3
171.10168	2.8
175.03806	1.0
177.01860	1.7
178.99821	5.1
179.03363	0.9
187.03868	0.9
193.01306	1.0
196.57857	0.8
201.05420	0.7
209.00769	2.3
209.11794	1.7
211.02295	1.6
218.82675	0.8
229.04922	1.1
255.02708	2.0
271.02271	1.2
273.03641	0.9
273.07574	1.4
273.20474	1.1
285.03836	2.4
286.04337	1.0
287.05167	1.2
300.02563	2.0
301.03513	31.9
302.03735	1.8
309.07916	1.0
316.01904	1.0
317.02725	2.3
325.05432	0.9
327.24954	1.6
357.26483	4.6
358.26260	1.0
407.20633	1.2
437.21667	11.4
437.28598	2.3
461.09387	7.5
519.30988	1.2
574.81128	0.9
599.09576	4.2
599.23071	100.0
600.23334	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43808	3.5
57.03439	7.0
59.01379	100.0
61.98821	8.5
71.01382	57.9
71.55876	3.5
71.56245	4.2
72.99307	7.2
85.02950	19.5
87.00867	8.1
89.02441	88.2
95.01366	6.9
96.96020	8.7
101.02443	29.8
106.48314	3.5
107.01405	9.7
113.02450	31.0
115.05792	4.0
117.40884	3.3
119.03496	29.4
123.00923	7.8
125.02454	53.9
131.03539	5.5
137.02394	5.3
139.00336	5.1
143.03482	8.8
149.02394	4.6
161.04547	11.0
161.54500	3.4
167.03491	10.0
168.00555	5.9
169.01411	58.1
177.01871	14.6
177.05556	6.2
179.05605	29.2
183.03195	3.8
203.45163	3.4
211.02458	11.3
243.02898	3.9
259.43674	3.3
267.06952	4.7
271.04578	18.3
280.46432	3.4
308.02921	4.9
329.14172	3.8
447.15039	8.6
537.19574	23.4
557.22211	5.1
599.16064	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	599.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.2
59.63933	0.2
61.98819	0.5
63.02400	1.9
64.02702	0.2
65.00320	0.7
68.62340	0.2
69.44014	0.4
69.44419	1.0
71.01368	0.5
73.02940	0.2
79.01896	0.2
79.17966	0.2
80.77332	0.2
83.01397	1.2
85.02936	0.2
91.01906	0.2
93.03463	1.8
95.01370	0.5
107.01393	3.9
108.02168	0.2
109.02975	0.6
111.00896	0.3
113.02458	0.3
117.03456	0.5
119.01401	0.3
121.02900	0.4
122.06077	0.2
123.00912	1.0
125.02446	2.0
126.73448	0.2
130.04277	0.2
131.04994	0.3
133.03021	0.2
135.00900	0.8
137.02419	0.2
139.00374	0.5
140.01149	0.4
141.07053	0.2
143.05072	1.3
145.02948	0.7
150.99176	0.4
151.00366	8.1
152.00815	0.2
155.05119	0.2
156.05896	0.2
157.06569	0.9
158.03654	0.2
159.04512	1.1
163.00365	1.7
164.01161	0.8
165.01968	0.3
167.05031	0.7
168.00629	0.8
169.01416	3.8
169.06569	0.7
170.01678	0.3
171.04503	0.8
173.06027	0.2
183.04536	0.6
185.06079	2.5
187.03993	2.2
189.05595	0.8
195.04507	0.4
196.05238	0.3
197.06030	1.0
199.03998	0.7
201.05557	0.3
211.03989	1.4
212.04733	0.2
213.05554	2.1
214.02760	0.2
215.03563	0.4
223.04015	0.2
224.04836	0.2
227.03490	1.6
229.05045	9.0
230.05495	0.5
239.03436	1.2
240.04192	0.7
241.05080	1.6
243.02946	0.6
255.03052	0.6
256.03714	0.6
257.04547	6.9
258.04926	0.3
267.02969	0.6
267.11325	0.2
268.11798	0.2
274.65359	0.2
284.03323	0.3
285.04031	100.0
286.04404	4.9
293.09308	0.2
300.02734	0.2
313.05627	13.0
314.05905	0.7
447.09378	0.5
567.14520	0.5
590.60028	0.2
599.10309	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.7
60.69979	0.4
60.70539	0.4
61.98829	22.4
62.35013	0.4
63.02400	0.9
65.00327	0.9
67.01827	0.4
71.01387	1.5
71.16560	0.3
72.99309	0.5
73.02945	0.5
75.36861	0.3
76.36434	0.4
77.68223	0.4
77.70884	0.3
83.01392	1.4
85.02946	1.3
93.03490	2.2
95.01385	0.7
96.96008	1.7
99.00858	0.4
101.02434	1.0
107.00721	0.5
107.01391	5.3
109.02923	0.7
111.00893	0.6
113.02432	0.9
121.02941	0.8
123.00890	2.9
125.02447	7.4
126.02750	0.6
131.05057	0.4
133.02925	0.5
135.00873	0.8
137.02390	0.6
139.00333	0.8
140.01123	1.1
143.05002	1.5
145.02950	0.5
150.03264	0.8
151.00366	9.0
156.05812	0.4
157.02928	0.4
157.06578	1.0
159.04520	1.5
161.02422	0.4
161.71460	0.4
163.00313	1.8
164.01134	1.0
165.02020	0.5
165.05560	0.8
167.04968	0.8
168.00638	1.6
169.01442	9.0
169.06584	0.7
171.04459	0.9
177.01910	0.6
185.06059	2.9
187.04012	2.5
189.05595	0.6
192.00737	0.5
195.04498	0.6
197.06056	0.7
199.03975	1.1
201.05507	0.7
211.04008	1.5
213.05608	2.2
215.03438	0.8
227.03419	2.1
229.05054	8.9
239.03488	1.0
240.04230	0.9
241.05035	1.6
243.02936	0.6
255.02892	1.3
256.03711	0.5
257.04541	6.5
258.05045	0.5
267.02972	0.6
268.03708	0.4
271.02298	0.8
283.97055	0.4
284.03183	1.2
285.04041	100.0
286.04364	5.9
287.43301	0.5
289.03674	0.6
298.00562	0.5
301.03452	1.3
313.02213	0.8
313.05649	12.6
314.05862	0.9
317.65167	0.5
327.01346	1.2
357.13455	0.6
447.09235	2.3
453.04721	0.8
517.69763	0.5
519.20856	0.8
537.19855	5.6
599.10522	4.3
599.19550	1.3
599.23730	0.7
600.10260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44587	0.3
58.01700	0.4
59.01382	1.3
61.98822	1.1
63.02400	0.9
65.00323	1.0
71.01383	2.6
73.12820	0.4
75.00890	0.4
83.01395	1.4
85.02940	0.5
87.00941	0.4
88.98813	0.4
89.02458	0.4
89.10974	0.5
90.35611	0.4
93.03472	0.6
95.01405	0.9
97.02939	0.7
101.02450	1.1
107.01382	7.5
109.02979	0.9
111.00883	0.7
112.92805	0.4
113.02445	1.3
116.92834	0.8
121.02973	1.1
123.00864	4.6
124.01669	1.1
125.02449	34.7
126.02744	0.9
133.02950	4.3
133.10152	0.4
136.98843	0.4
137.02454	1.4
139.00375	1.9
140.01199	1.0
141.01892	0.8
149.02457	1.4
151.00375	8.2
151.03938	0.5
153.01900	0.4
161.02548	0.5
164.01109	0.7
167.03468	0.8
168.00633	1.8
169.01431	45.3
170.01770	1.2
173.04573	0.6
175.03993	2.0
177.01881	0.7
178.99821	1.0
199.03970	1.5
201.01985	0.7
211.02452	1.7
211.04208	0.5
213.05539	0.7
214.02756	2.1
215.03462	0.7
217.05138	0.9
227.03429	3.0
229.05035	1.2
241.03273	0.9
242.02161	1.2
243.02939	1.4
251.73912	0.5
255.02948	5.3
256.03711	1.2
257.04559	1.0
259.02475	1.6
270.01620	1.2
271.02411	7.7
271.04968	0.8
284.03232	8.8
285.04041	69.7
286.04379	4.5
287.01950	3.9
288.02625	0.6
313.05661	10.4
314.06128	0.8
316.02203	18.3
317.02878	3.3
327.05365	0.7
328.61703	0.5
447.09454	2.4
479.08261	1.9
479.14746	0.4
537.19611	1.1
599.10370	100.0
600.10706	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	598.308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.2
59.01375	1.6
59.38205	0.2
61.98830	100.0
62.98550	0.2
63.02399	0.4
63.99250	0.2
65.00330	0.6
70.11036	0.8
71.01385	0.7
73.02951	0.4
83.01418	0.4
85.02960	0.6
85.17705	0.2
88.98813	0.3
89.02481	0.4
89.67831	0.2
92.08505	0.2
95.01426	0.2
96.53003	0.2
96.96019	4.0
98.20549	0.2
98.61848	0.2
101.02483	0.5
107.01395	1.2
109.02985	0.3
111.00867	0.3
113.02463	0.5
121.02975	0.7
123.00889	0.5
125.02438	2.6
125.03300	0.2
126.02807	0.2
137.02446	0.3
139.00395	0.2
139.04066	0.2
149.02483	0.3
151.00372	3.9
161.02466	0.2
163.00381	0.3
165.05539	0.3
167.03586	0.3
168.00482	0.3
169.01431	2.9
170.01761	0.3
178.99879	1.4
202.96614	0.2
211.02499	0.2
218.53824	0.2
227.03516	0.3
229.05232	0.2
241.31332	0.2
245.04581	0.2
255.03090	0.5
257.33008	0.2
271.02582	0.4
284.16025	0.2
285.04083	0.3
289.35587	0.2
297.06345	0.2
300.02792	0.7
301.03522	9.7
333.06143	0.2
347.96051	0.2
371.24435	0.6
373.25955	0.3
446.17789	0.3
447.09692	0.3
485.26505	0.2
598.18475	0.2
598.26257	2.2
599.10541	3.1
599.27179	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	599.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01847	0.7
60.81939	0.8
61.98833	6.2
63.02400	2.8
65.00318	4.1
69.14577	4.0
69.14999	4.2
71.47870	0.8
74.15620	0.7
82.16559	0.7
83.01379	4.3
93.03460	1.0
96.96012	1.3
107.01398	10.8
109.02953	4.8
111.00851	1.2
121.02935	9.2
123.00877	1.8
124.01685	1.0
125.02449	14.3
140.01122	1.4
149.02472	2.0
151.00368	42.0
152.00653	0.8
159.04520	1.0
161.02452	0.9
161.77115	0.7
163.00343	5.2
163.03902	0.8
168.00584	1.6
169.01425	24.3
170.01727	0.9
178.99870	19.6
183.04538	1.2
185.06137	0.7
201.05539	1.9
211.04073	2.2
227.03459	1.3
229.05083	1.9
243.02956	1.2
245.04536	4.0
255.02933	7.5
256.03546	1.1
271.02499	6.2
272.02844	1.1
273.04156	2.8
281.98880	0.7
283.02469	2.4
297.06033	5.9
300.02759	10.4
301.03519	100.0
302.03870	5.1
403.05658	0.9
447.09241	4.5
530.26312	0.9
599.10419	56.5
600.10876	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	598.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
58.02972	7.9
59.01378	8.3
61.98831	95.0
67.96815	1.3
69.19585	13.0
71.01395	4.1
72.00935	1.3
74.02476	19.8
81.04580	2.4
82.02991	2.3
85.20438	1.2
86.02496	7.1
86.99125	1.4
87.00888	1.6
87.05639	5.7
88.04050	1.2
90.00214	2.3
93.03489	1.5
96.95989	2.7
97.04082	3.1
97.21659	1.1
99.05647	16.1
101.02438	2.2
101.07202	4.0
102.05572	2.0
107.01395	1.5
109.04094	2.1
112.04034	3.4
113.02441	1.7
116.01743	1.6
120.01244	1.9
123.00853	1.7
123.05696	1.4
125.02444	14.4
125.03483	2.8
127.05117	4.1
128.03542	42.7
131.04630	1.2
135.05646	5.0
141.06693	3.8
143.04625	57.2
143.05762	2.9
145.06169	2.5
146.04588	5.6
151.00348	5.1
153.06699	4.7
154.28317	1.2
156.98984	1.4
160.00731	17.6
161.02420	3.3
166.09894	2.9
167.04643	3.7
167.08298	3.0
169.01404	7.1
171.10199	1.5
177.01981	2.1
177.03337	8.2
178.99843	2.0
179.04613	12.9
185.05730	2.9
190.66919	1.2
192.07835	1.7
197.05676	3.6
210.08861	11.4
225.55560	1.4
228.09802	1.6
240.47694	1.2
249.23445	1.1
254.07822	21.7
255.08109	1.7
272.08875	34.4
272.11865	1.7
273.09433	1.6
285.04181	1.7
287.05579	1.7
288.06635	12.0
301.03540	10.0
306.07651	100.0
307.07938	4.2
359.14938	1.4
461.80969	1.5
598.27795	11.9
599.09991	2.2
599.28156	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	598.28
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50943	1.3
56.98052	1.6
58.02974	11.0
59.01374	4.3
61.98829	27.7
69.16537	8.3
69.16959	7.1
70.05599	1.5
71.01395	3.4
72.00935	1.8
72.97530	2.2
74.00691	1.6
74.02466	22.8
79.83228	1.5
81.04598	2.4
82.02991	3.6
86.02466	11.9
86.06142	2.2
87.05639	4.1
94.40720	1.4
97.04089	2.7
98.20584	3.7
99.05643	19.8
100.00380	1.8
101.07208	2.1
102.05605	5.4
107.01348	1.5
109.04111	4.0
109.07684	2.8
110.02430	1.6
112.04041	2.0
113.02482	2.4
123.05621	2.6
125.02444	7.3
125.03516	3.7
127.05112	2.3
128.03540	62.2
129.03941	1.7
135.05632	6.4
141.06709	1.8
143.04613	86.9
145.06197	3.0
146.04584	8.3
151.00392	3.9
153.06706	4.4
165.12906	2.0
166.09926	3.2
167.04602	3.0
167.08264	5.7
169.01428	6.4
170.03317	2.2
171.04164	3.0
171.10257	6.5
178.99805	2.8
179.03180	2.6
179.04599	20.1
181.04967	2.2
185.05719	2.6
192.07799	1.7
197.05630	2.8
209.11839	7.0
210.08846	19.5
228.09946	2.5
254.07822	51.4
255.07959	3.1
256.11356	1.7
272.08865	100.0
273.09201	4.5
291.19684	3.3
301.03528	6.4
304.06116	2.3
325.18454	5.3
400.69464	1.8
469.23660	2.7
580.27008	4.6
598.28021	32.5
599.10272	2.7
599.28528	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	597.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	16.1
61.98826	36.3
69.78329	4.2
71.01373	16.3
71.46708	7.3
71.47058	6.4
72.29096	5.5
78.95892	5.9
89.02448	5.1
93.03442	5.4
95.72793	5.2
97.02939	6.3
101.02412	7.9
109.02981	14.1
113.02431	6.5
123.00897	9.4
125.02451	32.7
130.27687	5.3
137.02419	28.2
138.03229	20.0
145.03026	4.3
151.03983	8.0
161.02374	5.3
163.00372	12.1
165.01833	5.0
165.12808	10.6
167.03442	8.6
167.10904	5.0
169.01352	8.3
170.02159	7.2
171.10240	7.0
177.01880	17.1
183.13843	8.4
183.19412	4.2
209.11726	6.7
221.04514	6.8
253.09315	9.1
263.05414	6.3
289.17841	9.7
307.19165	8.4
327.74307	4.4
388.15308	5.8
389.16098	8.4
409.00192	5.0
553.27869	8.5
597.26581	100.0
598.27271	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	597.3043
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
53.74496	1.0
61.98812	2.1
69.23220	1.1
71.02812	2.7
71.03175	2.1
71.96233	1.2
78.91879	12.0
78.95901	67.2
96.96945	10.8
121.95789	1.2
152.99579	100.0
223.00061	9.1
241.01205	23.9
259.02194	1.7
281.24847	68.4
282.25134	4.8
293.42786	1.3
315.04849	16.8
333.06100	1.3
417.24112	1.7
462.76718	1.3
597.30402	93.2
598.30853	9.3
623.96411	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82981	0.2
54.04847	0.2
59.01373	2.0
61.98828	100.0
62.69566	0.2
65.19968	0.2
69.17496	0.2
69.33639	0.6
69.34064	1.3
71.01392	0.6
72.96815	0.3
73.21702	0.2
79.95728	0.4
83.01385	0.2
85.02932	0.4
88.98819	0.3
93.03455	0.5
94.91480	0.3
96.96019	2.6
101.02473	0.4
107.01408	0.5
109.02953	0.3
113.02454	0.3
113.53355	0.2
121.02961	0.9
123.00908	0.3
124.01665	0.3
125.02464	2.6
126.02800	0.3
137.02470	0.7
138.02808	0.2
150.03336	0.2
151.00351	1.7
161.02466	0.6
169.01396	1.8
178.99892	0.9
211.89340	0.2
227.07103	0.3
228.07480	0.3
297.06351	0.2
301.03552	4.9
389.15961	0.4
482.82513	0.3
535.31616	0.4
598.26031	0.9
599.09863	1.6
599.26843	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07649	0.8
57.03434	1.1
59.01149	0.8
59.01384	8.9
61.39820	0.7
61.98832	34.9
69.03452	1.2
69.66949	4.3
71.01385	3.8
72.99256	1.0
73.02953	1.6
75.00843	0.8
75.82072	0.8
79.95738	7.0
83.01377	1.0
85.02944	2.7
89.02433	1.3
95.01417	0.7
95.95229	1.4
96.96014	100.0
101.02448	1.9
107.01398	1.3
109.02882	1.2
113.02437	2.1
121.02975	1.1
123.00883	2.9
125.02436	7.5
132.97223	0.8
139.00337	0.9
144.54587	0.8
149.02368	0.8
150.03264	1.2
151.00346	3.2
153.12834	0.8
161.02489	1.3
163.03979	1.0
165.05571	1.5
167.03468	1.2
169.01439	6.1
175.03944	0.9
177.01923	1.1
185.11926	0.9
195.06549	0.8
214.07205	1.0
215.12881	3.3
249.06036	1.0
285.04068	7.4
301.03473	1.0
305.24884	0.8
313.05695	1.5
321.24554	0.8
339.25342	7.0
355.24478	1.6
419.21124	11.4
420.21777	1.2
435.20624	2.5
447.09067	1.0
535.22577	1.5
597.25854	98.3
598.26215	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05463	6.7
57.03444	16.2
57.81743	6.8
59.01374	24.0
74.35094	6.6
85.02966	15.0
87.00871	34.4
99.00921	8.6
101.02425	8.6
107.01395	8.5
108.02162	15.4
109.02945	7.8
111.00874	23.1
121.02960	10.9
122.03723	10.8
123.00887	21.3
125.02474	54.4
133.02890	6.6
133.77454	7.9
135.04446	8.2
135.08153	9.1
137.02473	7.6
137.09720	12.2
138.06802	8.2
149.02434	25.7
150.03249	97.5
151.00397	13.6
152.01118	20.2
153.01964	7.8
153.09134	16.7
161.02422	12.2
164.04803	15.1
165.05583	100.0
167.03458	13.2
169.01411	56.0
173.00882	8.6
176.04684	8.1
177.09229	8.4
179.03419	6.8
179.07167	11.4
180.04309	10.9
185.11580	6.8
193.12303	48.5
195.06610	49.5
211.13359	21.0
235.13405	12.6
253.14464	8.7
255.12422	15.7
264.06277	8.9
337.09286	35.6
341.33527	6.9
349.03827	10.2
370.13788	8.8
426.21829	8.2
436.06659	8.9
447.11575	8.3
461.14471	39.6
462.14774	7.9
533.16394	11.1
555.20746	9.3
579.17206	17.7
597.18787	91.2
598.13745	7.4
598.16534	7.2
602.92804	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73257	1.7
57.03436	2.3
59.01380	3.9
61.98837	3.3
65.19412	1.5
69.03476	2.7
71.01376	7.0
71.54398	2.1
73.02966	2.7
81.03458	2.1
83.01395	5.5
85.02952	5.5
87.00874	24.8
93.03467	3.8
96.96024	2.3
97.02939	3.0
99.00875	5.4
100.01675	2.8
101.02486	3.5
109.02943	3.9
111.00888	32.8
113.02464	2.1
121.02958	3.9
122.03745	12.2
123.00906	2.6
125.02480	12.0
126.02767	1.7
129.01973	2.3
131.03493	4.0
133.02998	1.8
137.02434	1.6
138.03250	1.7
140.01154	2.0
142.99928	1.5
147.02948	2.5
149.02438	28.3
150.03224	77.8
151.00328	2.1
151.04016	8.5
161.02435	5.6
164.04758	10.2
165.05568	82.4
166.02682	3.7
167.03479	4.5
169.01401	9.3
173.00958	3.2
176.04787	3.9
177.01991	3.7
179.03532	6.0
179.07112	10.2
180.04330	7.7
181.05017	4.9
190.02774	2.0
191.01926	2.6
191.03474	3.5
191.07164	2.9
194.05829	6.0
195.06622	27.6
196.07227	1.6
205.05052	2.4
206.05783	2.3
207.06595	1.4
209.08171	7.7
219.03070	2.5
219.06490	1.8
222.05211	1.6
234.05287	2.3
235.02721	1.8
247.06076	2.8
249.04053	3.5
249.07684	4.1
264.06406	10.7
265.07239	7.9
267.40842	1.9
279.08713	2.0
281.21484	1.9
291.08749	1.7
297.13403	1.7
327.13797	1.7
337.09183	11.5
338.09689	2.5
349.09531	1.4
357.08887	2.9
357.13370	3.6
400.10297	2.5
413.12317	6.9
461.14526	58.0
462.14716	3.6
487.16214	3.6
505.17279	2.5
521.16754	4.6
579.17358	9.3
597.18329	100.0
598.18854	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	597.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60227	2.9
58.00546	2.7
59.01384	23.9
61.98843	18.7
66.75008	2.9
67.01866	2.7
69.03434	5.6
71.01390	15.8
72.99284	3.2
75.00853	7.0
77.84044	3.0
78.95925	2.8
79.56965	2.7
81.03430	8.8
83.01392	6.9
85.02922	11.6
88.98782	7.1
89.02417	9.7
93.03426	5.7
95.01389	5.0
95.04995	8.2
96.95975	5.2
97.02911	8.8
99.04502	5.0
101.02407	8.5
107.01359	9.4
107.05042	3.6
109.02915	5.5
111.00878	7.1
111.04488	3.6
113.02444	4.7
115.33266	2.7
119.04996	8.0
121.02896	3.5
123.00819	12.7
123.04518	17.0
124.01660	4.0
125.02449	65.5
131.07040	3.0
135.04475	8.8
137.02448	6.5
137.05997	10.2
138.96770	3.2
139.00420	3.5
139.03955	9.3
140.01151	5.7
145.03032	2.9
151.00288	9.9
151.03993	4.7
151.63933	2.6
163.04088	4.9
165.05504	7.1
165.64375	2.6
167.03499	34.9
168.00557	9.9
169.00035	2.9
169.01419	57.5
170.01669	3.0
171.10046	2.6
177.01834	4.5
177.05418	2.8
179.03374	6.9
185.12550	2.6
189.05481	7.4
191.03600	4.4
193.04845	3.8
207.06520	4.6
209.04555	26.7
211.02463	3.4
221.04388	5.9
237.93230	3.0
239.05493	11.1
251.05511	3.6
267.07108	3.2
271.04672	5.1
273.07556	4.4
281.06659	3.4
285.07690	3.7
293.12408	3.7
296.68512	2.8
315.08618	17.7
318.02475	3.8
327.08640	5.8
345.09528	8.8
357.09778	90.6
358.10001	7.8
369.09540	7.9
387.10834	83.6
388.10678	4.3
399.10406	3.7
417.11905	25.5
445.12958	17.6
459.12631	10.1
477.13977	24.1
489.13763	6.2
507.14322	3.3
597.14215	100.0
598.14539	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	597.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00351	0.8
59.01368	2.0
69.03453	1.7
69.48153	1.8
69.48572	4.8
71.01389	2.6
73.02935	1.3
75.00867	1.3
77.79584	0.8
81.03449	9.1
83.00940	1.4
83.01376	5.3
83.05015	1.0
85.02952	1.7
89.89930	0.8
93.03455	5.8
95.01398	2.5
95.05035	5.6
96.96030	1.0
97.02945	5.3
99.04527	2.5
107.01418	1.0
107.05019	2.9
109.02946	4.0
109.06590	1.3
111.00887	1.0
111.04554	1.7
113.02460	1.8
119.05027	10.5
119.21777	0.9
121.02927	4.0
123.00830	1.8
123.04528	15.5
124.01646	1.2
125.02451	17.2
135.04536	5.1
137.02423	4.8
137.06067	7.5
139.04028	11.7
147.04512	2.7
149.02411	1.5
149.06105	1.8
151.03990	4.5
153.05586	1.6
161.06050	1.6
163.03999	3.6
163.07639	1.3
163.14531	0.9
163.48779	0.8
164.04785	1.1
165.01877	2.2
165.05548	7.4
167.03484	29.2
168.03845	1.1
169.01358	2.9
177.01956	1.3
177.05550	3.0
178.99883	1.3
179.03476	8.4
179.07121	2.0
180.04216	1.1
181.05086	2.3
189.05576	8.9
191.03444	3.0
193.05096	4.5
197.04564	5.3
205.01382	1.0
205.05066	1.3
207.06529	2.2
209.04538	28.1
210.04947	1.4
221.04509	4.9
223.06134	1.7
229.08647	1.5
233.04456	1.4
235.06059	1.3
239.05629	13.3
243.02763	1.1
251.05661	3.9
259.02582	1.1
263.05539	1.5
269.06583	1.8
270.01794	1.0
271.02408	5.9
272.02722	3.3
273.03055	3.9
273.07556	4.4
276.51505	0.8
285.07629	2.2
287.01892	2.5
288.02283	1.8
289.02481	2.9
315.08762	17.0
316.02292	9.7
317.02588	10.0
318.02820	11.2
327.08725	7.5
341.09964	1.5
345.09830	5.9
357.09781	100.0
358.10162	7.7
369.09622	4.2
370.10049	0.9
371.11237	1.4
387.10828	77.2
388.11188	6.3
399.10788	3.3
417.11935	24.3
418.12021	2.0
429.12064	3.0
441.11737	1.2
445.13715	1.3
459.12900	9.5
477.07578	1.8
477.14026	23.4
478.14236	3.1
489.14188	5.3
507.15042	3.8
579.16748	1.3
597.12311	22.5
598.13715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70427	37.7
81.25033	39.0
84.19762	38.3
98.20675	100.0
112.72381	42.1
116.52988	36.1
127.22157	44.9
144.25986	40.6
229.91801	65.8
300.22473	41.8
304.91418	39.8
314.08908	36.4
339.57886	42.8
368.11212	44.2
557.37274	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13226	0.2
55.01877	0.2
57.03450	0.3
59.01378	1.7
61.98832	100.0
69.29650	0.9
69.30081	0.9
71.01362	1.0
73.02941	0.3
75.00900	0.4
79.95749	0.6
81.22858	0.2
83.01379	0.3
85.02958	0.7
87.00931	0.2
95.01376	0.3
96.96018	7.3
101.02470	0.4
107.01419	0.3
113.02460	0.7
119.05049	0.7
120.05349	0.3
123.00925	0.3
125.02450	2.8
126.02803	0.2
137.02522	0.4
139.00377	0.2
151.00461	0.2
151.04056	0.2
158.96671	0.2
161.02483	0.4
163.04037	0.3
167.03542	0.4
169.01457	2.5
169.38116	0.2
170.01799	0.2
171.02008	0.2
177.01974	0.3
184.53908	0.2
198.17517	0.2
260.46518	0.2
271.02469	0.4
299.01837	0.6
300.02780	0.4
315.05063	0.4
419.21066	0.4
424.88766	0.2
448.20871	0.2
596.24475	1.3
597.13147	0.9
597.25708	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	595.2885
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
61.98816	4.7
71.52533	1.2
74.60393	0.9
78.95901	72.4
81.91312	1.0
96.95995	1.3
96.96951	12.5
125.02410	2.0
150.98015	1.9
152.99579	95.1
161.82596	1.1
163.71474	1.1
169.01363	1.9
171.00549	3.2
223.00096	9.2
241.01180	31.8
242.01514	1.4
259.02332	1.5
279.23276	69.6
280.23727	4.4
315.04852	21.1
415.22391	1.8
421.84811	1.1
422.82214	1.3
495.89377	1.3
595.28870	100.0
596.29089	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	595.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85087	0.7
61.79128	0.7
61.98806	0.7
67.97038	0.7
69.23020	7.9
78.95903	74.7
79.83195	0.8
94.50175	0.7
96.96958	13.4
98.20643	1.7
119.75138	0.9
125.02437	1.3
152.99585	58.5
223.00098	2.1
231.96745	0.8
240.98720	1.8
241.01163	30.7
259.02228	1.0
279.23279	65.8
280.23767	4.0
297.08353	0.9
297.11200	5.4
315.04880	9.4
387.96304	0.9
415.22583	5.5
416.22653	1.1
506.42862	0.8
595.28857	100.0
596.29248	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	595.2805
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
59.01358	1.2
61.98827	27.1
63.96230	1.4
69.25567	0.6
69.92800	0.7
71.01379	7.7
73.02924	1.0
78.98586	5.1
79.95741	9.8
80.96516	62.3
81.66015	0.6
85.02944	2.4
87.00880	2.4
88.98887	0.7
94.98083	13.8
96.96002	1.5
97.02967	1.7
98.97771	0.7
101.02443	2.0
104.08791	0.6
106.98076	2.4
119.45836	0.7
121.02958	9.2
122.03297	3.5
122.97586	2.1
123.03507	1.0
123.22266	0.7
125.02444	4.3
127.03989	0.9
134.97569	4.4
136.99075	1.1
137.02531	0.7
148.99138	5.0
150.05247	0.6
152.98653	4.1
161.72542	0.7
164.98619	9.9
165.01904	0.7
166.02216	0.7
169.01390	2.2
206.99634	2.1
209.04532	5.8
210.04861	3.3
211.05022	2.1
225.00728	17.1
233.24969	0.9
236.19339	0.8
269.79782	0.7
295.22791	1.7
299.04462	2.8
507.11816	0.9
595.27887	100.0
596.28265	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	595.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
57.03445	1.3
59.01377	21.6
61.98821	3.3
68.99790	1.1
71.01383	16.7
71.55312	1.1
72.99299	4.4
73.02940	2.4
75.00861	9.7
81.88225	1.0
83.01369	1.5
85.02948	15.9
86.13848	1.2
87.00878	5.4
89.02436	8.3
95.01380	3.7
96.95995	1.5
97.02948	1.0
99.00336	0.9
99.00883	6.2
101.02435	6.8
104.48390	0.9
107.01388	1.2
107.38036	0.9
111.00854	2.0
112.62563	0.9
113.02454	14.0
115.00393	1.5
117.01910	1.3
123.00890	3.2
125.02454	10.1
137.02429	1.4
151.00381	2.2
167.10774	2.7
169.01421	9.4
211.02473	2.0
238.77013	1.0
249.06177	8.6
267.07199	3.6
269.10303	1.4
271.04599	2.0
313.05737	1.1
345.15515	1.4
345.95630	1.0
385.09009	1.7
393.57407	1.4
405.24582	1.1
443.12180	1.2
443.19321	2.1
551.20953	4.0
557.22430	4.8
577.20221	1.5
592.96381	1.1
595.22327	100.0
596.22913	11.3
611.63141	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.8
61.98833	37.7
68.80795	0.6
69.03432	0.6
71.01388	5.5
72.99316	0.7
73.02945	2.0
75.00871	2.4
75.62891	0.6
75.78779	0.6
78.83440	0.6
81.61808	0.5
83.01411	0.7
85.02960	2.9
87.00900	0.7
88.98805	1.6
89.02428	3.0
93.03466	3.8
95.01382	1.4
96.96011	2.6
97.02979	0.8
97.22937	0.6
101.02460	3.0
103.04023	2.4
107.01413	0.8
109.02947	0.7
113.02447	1.3
114.29354	0.6
119.03519	1.2
120.05270	0.6
121.02957	100.0
122.03312	2.2
123.00838	0.9
123.04490	0.8
125.02444	7.8
137.02461	4.2
145.05072	1.0
148.04066	1.1
151.00345	0.9
151.04042	0.8
161.02452	0.7
161.04616	0.9
163.06108	2.6
169.01425	5.2
227.07201	4.6
237.09908	0.7
285.04034	0.6
307.10373	2.8
316.02103	0.7
347.23468	0.6
398.48026	0.6
427.12537	1.4
429.13992	8.2
430.14178	0.9
535.31268	1.1
563.14471	1.4
595.24066	5.7
595.33795	0.9
596.24451	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1666
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
59.01368	4.2
66.02153	1.7
71.01391	4.1
71.21662	4.0
78.92336	1.7
79.01923	2.0
81.03442	3.3
83.01384	4.8
85.02957	2.4
90.63057	2.0
93.03445	7.3
95.01393	3.6
97.02942	3.5
99.49863	2.0
107.01384	7.1
109.02954	2.9
111.04527	2.7
113.02454	4.2
119.05023	44.3
121.02937	5.1
123.04485	4.2
125.02441	13.8
135.04486	5.4
137.02423	6.4
139.03979	6.7
143.05009	7.2
145.02957	7.5
147.04559	4.0
149.02435	5.7
151.00356	5.1
151.03989	3.5
155.03429	2.5
161.06027	4.7
163.00354	2.4
163.04042	4.1
165.01888	6.6
167.03493	9.6
169.01381	4.5
177.01915	5.2
179.03458	4.4
187.03949	6.0
191.03500	2.6
193.01457	11.3
197.04541	3.6
205.01378	7.8
207.02940	5.8
209.04492	6.4
219.02924	5.4
227.07193	3.7
235.02586	14.6
239.05513	3.4
251.06631	1.8
265.03558	7.5
265.08575	2.2
313.07172	22.5
325.07120	9.2
343.08203	10.7
355.08188	94.6
356.08698	10.1
367.08081	5.5
385.09283	84.7
386.09628	7.4
397.09152	4.4
415.10272	25.8
416.10956	2.5
427.10443	3.2
447.22015	2.1
457.11469	11.0
475.12518	35.0
476.12546	5.1
485.91321	2.1
487.12271	4.3
505.13336	11.6
577.15271	4.7
595.16608	100.0
596.17029	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	594.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96934	0.4
57.47384	0.4
59.32378	0.5
61.98830	100.0
69.55447	0.9
69.55851	1.8
78.95911	0.6
79.56017	0.5
118.02433	0.4
173.76877	0.4
190.52910	0.4
192.36604	0.5
268.72537	0.4
281.24948	0.7
431.59512	0.4
509.29443	0.8
523.15063	0.4
547.91364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51591	1.6
61.98829	100.0
76.58804	1.7
88.27457	1.5
98.76405	1.8
122.21325	1.6
152.99535	2.6
229.55659	2.0
281.24792	9.7
357.36542	1.7
509.28812	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	595.1304
Annotation	Myricetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
56.34680	1.1
59.01372	1.6
63.74601	0.9
69.36225	4.7
69.36649	4.1
86.12563	0.9
95.19712	0.9
98.19914	2.3
107.01382	1.4
107.62508	1.0
112.87788	1.1
120.24472	1.0
124.01641	1.9
125.02432	2.7
128.13741	1.2
151.00346	3.7
152.01125	2.6
164.01091	1.9
169.01476	1.5
177.08498	1.0
178.99870	7.6
214.00957	1.0
214.02621	6.4
215.03491	1.2
242.02144	5.4
243.02928	4.1
259.02429	6.2
270.01740	7.9
271.02475	43.1
272.02838	2.1
287.01974	21.7
288.02487	2.7
316.02234	100.0
317.02789	8.5
586.16296	1.1
595.12982	91.9
596.13300	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	594.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84789	2.5
54.24678	2.6
57.57640	2.5
58.79192	2.7
61.98833	100.0
69.75053	10.8
69.75460	5.9
85.03596	3.1
93.03963	2.8
118.66363	2.6
119.62525	3.2
179.10739	10.6
355.22610	25.6
399.93921	2.6
438.15228	3.3
439.54898	3.2
553.28351	2.7
569.10010	2.9
610.00073	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	594.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30779	1.8
52.22145	1.7
61.98830	100.0
70.66743	5.3
133.94362	1.6
135.04524	3.0
145.71973	1.5
163.11301	3.4
298.15558	2.0
334.42877	1.8
355.22623	2.9
474.27875	11.8
516.32562	3.1
531.35016	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	593.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57693	0.9
53.54837	1.0
54.60632	0.8
59.01391	1.3
61.98813	3.6
75.18237	0.9
78.95901	68.4
81.60476	0.8
96.96957	14.2
121.02936	1.5
125.02391	1.5
144.35678	0.9
150.98094	0.9
152.99582	61.2
169.01355	1.2
171.00606	1.2
223.00122	1.4
241.01176	31.7
271.06268	1.1
277.21698	47.4
278.22028	3.0
315.04883	13.8
413.21005	7.1
593.27264	100.0
594.27649	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	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85930	1.0
55.68589	1.0
59.01360	1.9
61.98813	1.8
65.14588	1.1
78.95904	73.9
96.96962	14.6
104.02375	1.0
121.02938	2.8
125.02438	3.1
126.34635	1.3
150.98056	1.7
152.99582	75.4
169.01419	3.4
209.04462	1.5
209.11697	1.4
223.00230	6.3
229.59930	1.3
241.01176	34.7
255.02632	1.7
277.21716	54.8
278.21994	3.6
289.07053	1.6
315.04831	13.0
345.60297	1.2
345.64331	1.2
383.74594	1.2
413.20813	4.5
441.08203	1.6
578.64728	1.2
593.27264	100.0
594.27679	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.5
61.98830	6.2
63.96222	1.1
64.50546	0.4
71.01380	5.1
73.02945	1.1
76.03958	0.4
78.95905	0.4
78.98600	4.3
79.95741	25.8
80.05531	0.4
80.96517	46.3
81.03445	0.6
85.02938	1.9
87.00866	2.3
94.98086	11.3
96.96010	1.4
97.02937	1.3
99.00903	0.4
101.02431	1.5
106.98112	2.7
113.02425	0.4
118.31150	0.3
122.97573	3.1
125.02451	4.3
126.15079	0.4
127.03983	0.5
132.08946	0.4
134.97572	2.8
136.99138	0.9
148.99141	4.8
152.98613	3.8
161.04544	1.6
164.97289	0.7
164.98625	8.9
167.00197	0.5
169.01430	1.4
195.13878	0.9
206.99771	2.0
221.08635	0.4
225.00734	13.4
226.01067	0.5
241.00223	1.7
288.08817	0.5
293.21136	0.5
295.22787	2.7
299.04495	2.7
315.03833	1.0
341.05283	0.6
364.86337	0.4
371.06479	3.2
385.08075	1.9
399.09573	1.4
413.11273	1.4
427.12619	0.4
441.08160	0.9
441.14285	0.5
455.16071	2.8
481.17850	0.6
495.19223	2.4
520.30237	1.7
523.18207	0.9
524.19507	0.4
593.26373	100.0
594.26813	8.7
607.92932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2638
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01372	1.5
61.98830	6.2
63.96222	1.1
64.50546	0.4
71.01380	5.1
73.02945	1.1
76.03958	0.4
78.95905	0.4
78.98600	4.3
79.95741	25.8
80.05531	0.4
80.96517	46.3
81.03445	0.6
85.02938	1.9
87.00866	2.3
94.98086	11.3
96.96010	1.4
97.02937	1.3
99.00903	0.4
101.02431	1.5
106.98112	2.7
113.02425	0.4
118.31150	0.3
122.97573	3.1
125.02451	4.3
126.15079	0.4
127.03983	0.5
132.08946	0.4
134.97572	2.8
136.99138	0.9
148.99141	4.8
152.98613	3.8
161.04544	1.6
164.97289	0.7
164.98625	8.9
167.00197	0.5
169.01430	1.4
195.13878	0.9
206.99771	2.0
221.08635	0.4
225.00734	13.4
226.01067	0.5
241.00223	1.7
288.08817	0.5
293.21136	0.5
295.22787	2.7
299.04495	2.7
315.03833	1.0
341.05283	0.6
364.86337	0.4
371.06479	3.2
385.08075	1.9
399.09573	1.4
413.11273	1.4
427.12619	0.4
441.08160	0.9
441.14285	0.5
455.16071	2.8
481.17850	0.6
495.19223	2.4
520.30237	1.7
523.18207	0.9
524.19507	0.4
593.26373	100.0
594.26813	8.7
607.92932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86444	0.7
56.97953	0.7
57.03439	3.4
59.01382	17.5
61.98827	6.5
65.14139	0.6
67.01910	1.2
68.34908	0.7
69.03467	1.9
71.01382	4.2
72.99317	1.3
73.02969	2.1
77.17545	0.8
81.03467	2.8
82.08315	0.7
82.67780	0.7
83.01390	2.2
83.05058	1.3
85.02966	3.2
87.00890	2.4
89.02460	1.4
89.14797	0.7
93.03458	7.8
95.01404	1.0
96.96034	2.9
97.02967	3.2
99.00865	0.9
99.04517	0.9
101.02467	1.4
106.28034	0.8
107.01390	3.9
108.02193	0.7
109.02948	7.8
111.00890	1.3
111.04516	6.5
113.02504	2.0
121.02912	1.0
123.00892	2.0
123.04525	2.8
124.01691	2.0
125.02448	85.3
126.02805	2.7
129.01944	0.9
135.04541	2.1
137.02451	10.8
139.00333	0.8
139.04094	1.4
145.02945	4.8
149.02438	3.2
150.03214	1.1
151.00409	1.1
151.04018	3.7
155.03511	8.1
159.04501	1.9
161.02423	1.3
161.06116	2.1
162.03290	0.8
164.01131	0.9
165.01894	1.5
166.99828	1.2
167.03499	1.4
168.00694	1.4
169.01430	100.0
170.01755	3.2
173.04543	16.9
175.04015	0.8
177.01967	0.9
179.03481	2.2
185.06061	1.5
187.03967	1.2
187.11247	0.7
188.04636	0.9
191.05655	8.5
193.01401	4.4
200.96591	0.8
201.05522	1.2
201.11330	2.5
203.07147	3.8
205.01387	1.1
205.05026	2.2
205.12206	0.9
221.08154	0.9
223.13371	3.8
227.07121	1.2
227.12852	0.9
245.08237	4.0
253.05078	1.8
259.06055	0.9
267.12289	2.9
271.06143	13.9
272.06567	1.1
275.01797	1.3
287.02020	1.6
287.14883	1.6
289.03912	1.7
289.07153	24.8
290.07382	2.4
303.05127	1.6
307.04712	0.9
325.05679	6.5
331.04529	1.2
343.06671	8.1
371.24344	1.0
389.24933	0.9
423.07336	5.8
423.16162	1.2
441.08261	28.5
441.17258	6.8
442.08670	1.6
445.18198	0.8
533.29803	3.5
575.17358	0.9
593.09094	4.5
593.18475	33.6
593.29834	3.9
594.18744	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	593.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.5
59.01379	17.9
61.98830	7.5
65.00338	0.6
65.47583	0.6
65.57803	0.6
65.83417	0.6
67.01887	1.0
68.99812	0.7
69.03436	1.6
71.01385	4.3
72.99299	0.9
73.02959	1.8
73.58546	0.5
75.00887	1.7
76.17631	0.6
79.01900	0.8
81.03455	2.0
83.01393	2.8
83.05039	1.4
84.14422	0.6
85.02947	2.8
85.94396	0.5
87.00881	2.3
89.02446	1.2
90.85490	0.7
93.03459	7.0
95.01380	1.6
95.05046	1.0
95.06399	0.6
96.96021	2.0
97.02940	3.0
98.19877	1.6
99.00842	0.7
101.02422	2.0
107.01404	3.8
109.02952	7.9
111.00883	1.2
111.04533	4.0
113.02425	2.2
117.03454	0.8
119.03507	0.7
121.02965	1.3
123.00852	2.6
123.04543	3.8
124.01645	1.3
125.02446	93.8
125.09806	0.6
126.02792	2.6
129.01935	1.4
135.04538	1.6
137.02438	13.8
139.00380	1.1
139.04001	1.4
145.02966	7.4
146.03699	1.0
149.02452	3.4
150.03220	1.2
151.00391	1.3
151.04027	3.4
155.03481	6.3
158.92612	0.7
159.04483	2.5
161.02419	0.9
161.06058	2.0
162.16200	0.6
163.03966	1.0
164.01196	1.5
165.01965	3.1
165.05521	0.9
166.99814	1.2
167.03552	1.3
168.00540	1.6
169.01421	100.0
170.01721	3.8
170.82422	0.6
173.03098	1.1
173.04539	13.6
175.03973	1.2
179.03450	2.8
183.04526	0.8
185.06035	1.1
187.03940	2.3
188.04820	1.1
191.05605	6.0
193.01399	5.1
201.05482	0.8
201.11307	1.8
203.07120	5.2
205.01517	0.7
205.05046	3.0
205.12486	1.0
208.16399	0.6
221.06552	0.7
223.13416	3.8
227.07166	1.7
227.12791	1.5
229.01176	0.8
231.12337	0.8
235.16216	0.7
245.04463	0.9
245.08197	6.2
253.05023	2.0
255.02838	0.7
259.06064	0.9
267.12317	2.6
271.06119	18.8
272.06512	2.1
287.14978	0.9
289.04016	1.0
289.07162	30.7
290.07465	2.0
303.05023	1.3
305.06470	0.8
307.04437	0.9
314.04364	1.2
325.05649	4.7
331.04541	2.2
343.06601	3.9
371.24213	0.8
373.25958	0.7
391.31348	0.8
404.59470	0.7
423.07379	7.5
423.16299	1.2
424.07709	1.3
441.08264	34.8
441.17267	8.1
442.08600	3.0
442.17807	0.8
479.81204	0.7
530.22998	0.8
533.29352	2.8
575.17603	1.6
593.09082	4.9
593.18665	24.7
593.29633	6.1
594.18494	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	593.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29988	0.7
51.70709	0.6
59.01389	3.8
69.18158	7.5
70.89998	0.7
72.99320	0.7
78.61700	0.6
85.02946	0.9
87.00084	0.6
87.00893	0.8
89.02431	1.2
93.03466	1.8
99.00877	0.7
107.01369	2.9
109.02917	1.1
113.02438	2.2
119.04978	0.7
121.02970	0.9
125.02444	13.9
135.00871	1.5
137.02431	1.6
143.05014	1.0
149.02423	0.8
151.00345	2.8
152.01129	0.9
159.04532	1.1
161.02487	0.9
163.00362	2.9
165.01868	1.0
167.05037	1.1
169.01416	7.8
171.04395	1.1
177.01921	1.3
183.04436	1.1
185.06052	2.5
187.03951	2.7
189.05594	0.9
196.05045	0.7
197.06129	1.5
199.03981	1.3
201.05621	0.9
211.03920	2.7
213.05560	0.9
227.03488	34.2
228.03902	2.0
229.05051	11.9
230.05249	1.1
239.03448	1.4
240.04312	1.0
241.05067	2.2
253.05130	0.8
255.02975	64.5
256.03506	6.8
257.04559	7.3
267.02914	1.2
275.25812	0.7
283.10831	1.4
283.99905	0.8
284.03262	68.4
285.04025	95.8
286.04443	6.0
289.07193	2.1
327.05051	1.5
371.08911	0.8
403.10895	1.2
423.07230	1.6
441.08289	5.9
442.08713	1.1
455.06122	1.8
525.70795	0.8
549.22156	1.9
593.15234	100.0
594.15765	12.4
613.12683	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.13
Annotation	CHEBI:75674
Peak:m/z	Relative Intensity
53.18956	1.1
55.70380	1.2
57.03449	13.2
58.15123	1.2
59.01356	1.7
60.25795	1.1
71.01373	2.0
71.54951	1.1
71.55373	1.2
79.95717	1.6
81.03461	3.1
83.01382	4.5
83.05040	1.2
85.02946	1.7
88.98827	2.1
93.03471	3.6
95.05061	1.6
96.96008	43.8
97.02927	4.2
105.03452	1.8
107.05039	1.8
109.02956	19.6
111.00887	1.6
111.04486	2.3
121.02962	7.9
123.04519	11.6
125.02444	100.0
126.02785	2.8
133.02927	3.7
135.04477	2.4
137.02426	19.7
139.03960	4.7
145.03012	1.1
146.03607	1.3
147.04468	1.2
149.02423	10.4
151.04015	15.4
155.03452	1.5
159.04497	3.4
161.02429	3.6
161.06071	3.4
163.00307	1.5
163.03984	3.4
164.01118	2.3
165.01863	7.1
167.03442	4.9
169.01440	12.7
173.04517	2.6
175.04033	15.3
175.07649	1.3
176.01135	1.8
177.01926	99.2
178.02289	3.7
179.03477	5.1
187.03996	7.9
188.04703	3.7
189.05527	2.0
191.05658	3.4
199.03989	4.3
202.06357	2.8
203.07130	7.1
205.05034	6.4
211.03981	3.2
213.05505	1.5
215.03477	2.6
217.05002	6.0
219.02986	2.8
221.08109	1.9
227.03505	5.0
227.07137	1.5
228.04185	1.4
229.05067	5.6
231.03070	2.3
232.32895	1.3
243.02998	13.6
245.04604	1.3
245.08221	8.3
255.02972	22.8
256.03717	6.5
257.04495	3.6
261.04022	3.5
267.07022	2.2
269.04507	2.6
273.04022	7.9
281.04614	2.6
283.02530	6.0
285.03967	5.2
289.07172	60.6
290.07593	2.5
297.03925	3.8
303.05093	10.0
305.06744	5.6
315.05032	3.3
325.05695	1.7
337.06720	1.4
339.08557	2.1
340.09064	1.5
343.06622	1.5
348.02002	1.4
355.07965	1.4
381.09634	1.9
402.14185	1.2
407.07697	59.3
408.08200	5.9
423.07187	40.4
424.07550	2.9
425.08777	25.4
426.09085	2.3
441.08246	4.3
467.10028	6.7
495.07806	12.8
593.12091	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15310	1.5
55.97747	1.4
57.03445	12.8
59.01383	6.1
62.32551	1.5
69.03460	3.9
69.85573	6.3
71.01382	5.8
71.23904	1.5
74.02438	1.8
79.95735	3.7
81.03450	2.2
83.01395	4.9
84.55640	1.5
85.02959	8.8
89.02432	2.4
93.03472	5.8
95.05023	3.1
96.04548	9.6
96.96010	96.4
97.02956	8.4
99.00865	2.6
101.02406	3.4
107.01434	1.9
107.05045	3.3
109.02933	15.8
111.00922	1.8
111.04488	2.1
113.02442	3.4
116.05033	3.8
121.02934	7.6
123.04530	10.9
125.02447	100.0
126.02753	3.7
133.02960	4.5
137.02451	21.8
139.03053	1.7
139.04018	8.4
141.01907	2.7
147.04512	1.6
149.02438	8.4
151.04022	16.4
155.03572	2.4
158.04614	2.3
159.04529	3.4
159.09283	1.9
161.02428	8.2
161.06081	2.1
162.03217	2.1
163.00357	2.0
163.03979	3.6
164.01178	4.2
165.01993	7.6
167.03510	7.5
169.01395	15.4
173.04565	3.5
175.04001	16.5
175.07700	1.5
177.01927	73.3
177.05420	2.3
178.02293	3.3
179.03523	5.5
185.08559	1.7
187.03944	7.3
188.04742	2.9
191.03395	1.6
191.05653	3.9
193.05035	2.1
199.04008	3.4
200.05753	1.7
200.97696	1.4
201.05539	2.4
202.39914	1.6
203.03442	2.7
203.08482	13.6
205.05016	3.1
211.04106	3.7
215.03395	3.8
217.05049	6.2
219.06583	2.4
221.08311	2.6
227.03438	3.8
227.47388	1.5
228.04234	2.6
229.05005	5.6
230.05806	2.1
231.03011	2.8
243.02974	17.6
245.04616	2.0
245.08173	4.6
255.02968	26.7
256.03848	8.2
257.04428	3.7
261.04044	2.8
262.05612	2.3
269.04459	4.6
273.03934	7.8
281.04547	3.6
282.01740	2.0
283.02563	10.7
285.04074	4.5
287.05646	1.9
288.03088	2.2
289.03961	1.9
289.07175	38.1
297.04083	5.4
298.04492	1.9
303.05139	5.1
305.06665	18.3
315.05225	2.3
325.05426	1.9
343.06635	5.4
348.13528	3.5
349.12994	3.7
381.09363	1.8
407.07703	50.4
408.08118	3.0
423.07220	58.4
424.07559	4.8
425.08688	18.1
435.24142	1.6
441.08304	5.2
467.09860	6.9
495.07678	15.7
593.10889	2.8
593.20099	8.2
594.18732	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.13
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	79.2
71.01397	1.4
71.17583	1.1
71.17912	1.6
78.95921	1.0
79.95736	1.3
80.85551	0.9
80.96516	8.0
82.20013	0.8
94.98074	2.2
105.86548	0.9
111.48665	0.8
121.02959	100.0
122.03288	2.4
125.02452	5.5
134.53883	0.8
151.46237	0.9
164.98607	1.3
165.01917	5.2
169.01408	5.0
170.41388	1.0
181.06581	2.3
197.06165	1.1
209.04541	63.0
210.04887	3.0
212.14178	0.9
225.00751	1.8
225.05577	1.9
235.91959	0.8
284.78528	1.0
288.08844	1.2
289.06940	1.1
313.07056	1.6
357.06158	1.3
383.07700	1.3
417.09799	1.4
441.08221	1.5
505.11374	3.1
549.10358	8.5
593.13013	10.9
593.26343	13.2
594.26904	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.9
59.01385	3.7
61.98808	1.9
67.01871	0.7
69.03449	2.3
69.40679	4.0
69.41103	1.8
71.01382	1.1
73.02940	1.0
81.03463	2.1
83.01397	2.1
83.05006	1.2
85.02975	1.6
93.03447	4.0
95.01365	1.1
95.05034	1.2
97.02940	2.3
101.02462	0.8
107.01390	3.2
109.02943	7.2
111.04521	2.7
123.00916	1.3
123.04524	3.1
125.02444	81.2
126.02778	2.6
135.04544	1.6
137.02440	8.0
139.03993	1.1
140.01176	1.0
145.02969	6.7
146.03746	1.0
149.02406	2.8
151.00394	0.9
151.04045	4.1
155.03519	3.1
159.04503	1.9
161.06036	1.7
163.03999	1.0
164.01295	0.8
165.01903	2.1
166.99901	1.7
168.00652	1.3
169.01416	100.0
170.01735	1.9
173.04572	6.3
173.05934	1.4
175.03983	1.5
177.01833	1.0
179.03470	0.9
185.06042	2.2
187.04030	2.3
188.04793	2.4
191.05597	0.8
193.01402	4.6
201.05585	1.3
203.07080	5.4
205.01419	0.9
205.05011	2.7
221.08127	1.0
225.16098	0.9
227.07079	1.7
229.05115	2.4
245.04483	1.2
245.08157	6.4
247.06010	1.0
253.05115	1.6
257.04675	1.0
259.05981	0.9
267.07382	0.8
267.16095	2.0
271.06125	19.9
272.06583	0.8
285.04092	8.8
287.01929	2.7
289.07169	37.2
290.07452	2.1
300.02679	1.2
303.05072	2.4
321.02365	0.9
325.05499	4.8
331.04578	2.4
343.06937	0.8
397.08981	1.0
423.07199	11.7
424.07922	0.8
441.08255	48.0
442.08832	4.8
451.32681	1.0
556.76324	0.9
593.09076	2.3
593.21808	8.9
593.31689	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	593.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01376	0.4
61.65385	0.3
67.03262	0.3
71.00257	0.7
71.01350	0.3
78.56031	0.4
79.95735	3.1
81.03455	0.3
83.01390	0.5
85.02929	0.5
93.03471	1.7
96.96007	100.0
97.02934	0.6
107.01384	1.3
109.02925	1.9
110.95020	0.3
111.04528	1.2
121.02962	0.8
123.04529	1.0
125.02438	17.8
126.02780	0.4
137.02437	3.3
139.04120	0.3
149.02443	0.8
151.04005	1.3
155.03485	2.2
161.02464	0.8
165.01891	0.7
167.03442	0.8
169.01407	16.6
173.04570	4.1
175.04005	1.4
177.00513	0.4
177.01923	8.1
179.03510	0.5
187.03989	0.8
191.05611	2.4
193.01547	0.4
201.05573	0.4
203.07143	0.5
217.05051	0.5
243.02979	1.4
245.04494	0.6
245.08141	0.8
255.03020	2.3
256.03687	0.7
273.04037	0.8
283.02457	0.9
285.03952	0.5
289.07162	4.5
297.04019	0.7
303.05106	0.5
305.06638	2.3
317.33609	0.4
325.05627	2.2
343.06677	2.7
407.07712	5.3
408.07956	0.5
423.07217	4.4
425.08847	2.0
441.08069	0.6
467.09827	0.9
495.07764	21.2
496.08203	1.4
593.04327	0.4
593.12787	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39235	1.9
59.01379	24.2
61.98829	38.4
69.15921	1.9
69.16219	21.2
70.04422	1.9
71.01379	5.2
75.80181	1.9
78.95903	24.2
78.98568	2.5
79.76338	1.6
79.95750	16.0
80.94271	1.7
80.96508	26.7
94.98064	6.0
96.95998	2.2
98.19906	3.4
113.30676	1.8
122.97554	2.9
123.00892	4.0
125.02460	15.1
126.60859	1.9
133.27173	2.2
136.07729	3.1
137.02435	2.5
151.00340	5.1
152.98557	4.4
152.99637	6.4
164.98619	4.4
168.04260	3.6
169.01442	16.8
179.14478	2.2
180.44112	1.8
182.99678	2.0
195.13884	8.0
206.99588	2.2
218.40045	2.0
223.13391	7.1
224.07057	10.6
225.00729	9.0
275.20132	4.1
288.08826	12.2
293.21198	49.7
294.21671	3.7
399.09738	2.1
447.20926	2.8
518.28870	100.0
519.28979	9.4
593.26343	64.8
600.24304	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	592.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61189	1.1
56.17842	1.1
61.98830	100.0
72.45600	1.1
75.64671	1.3
78.95904	3.2
79.95744	1.0
80.96521	3.7
98.19940	2.7
115.54928	1.1
121.02958	49.6
123.00883	3.2
125.02442	5.4
136.07637	2.1
151.00340	3.3
163.27052	1.2
165.01921	2.3
169.01399	7.0
197.05991	1.4
209.04535	29.8
288.08798	7.5
289.07007	1.5
441.08243	1.6
486.17120	1.5
503.15570	1.4
523.06897	1.4
549.10370	3.2
593.12823	7.3
593.26379	9.5
601.34912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40348	0.3
59.51307	0.3
61.98830	100.0
69.70433	1.6
71.01400	0.4
78.95919	1.0
80.96520	2.2
94.98113	0.6
98.19915	0.7
121.02980	1.2
123.00845	0.6
125.01663	0.4
125.02409	1.9
136.95667	0.4
137.02347	0.3
151.00388	1.5
162.79227	0.3
164.98682	0.4
169.01465	1.4
209.04663	0.6
211.73679	0.4
225.00847	0.5
288.08783	2.2
319.65253	0.3
332.84424	0.3
384.03076	0.4
554.37738	0.4
593.26184	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.45193	1.6
69.45602	2.0
71.01373	0.7
78.98598	0.5
79.95726	0.8
80.96511	5.3
83.27792	0.5
91.06131	0.5
94.98079	1.3
123.00918	0.9
124.36627	0.5
125.02478	1.9
136.07672	0.9
136.99266	0.5
141.63789	0.5
152.98586	0.6
164.98611	1.1
169.01482	2.0
197.84091	0.5
223.41670	0.5
225.00810	1.1
288.08969	1.5
593.26404	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	592.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26854	0.1
59.01377	0.1
59.81634	0.1
61.98830	100.0
62.98528	0.1
69.24168	1.1
71.01377	0.6
73.02943	0.2
78.98593	0.5
79.95739	3.5
80.96519	5.9
85.02985	0.3
87.00899	0.2
94.98098	1.4
101.02438	0.3
106.98098	0.1
120.32357	0.1
122.97630	0.3
125.02464	0.5
134.97606	0.4
136.99168	0.1
144.10516	0.1
148.99113	0.7
151.00385	0.2
152.98657	0.5
157.87369	0.1
161.04581	0.1
164.98622	1.1
206.99712	0.3
225.00751	1.4
241.00281	0.3
288.08887	0.3
299.04480	0.3
315.03864	0.2
371.06686	0.3
385.08191	0.2
399.10278	0.2
413.11414	0.2
455.16229	0.3
495.19302	0.4
587.14215	0.1
592.25568	0.2
593.26337	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	592.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
60.84964	0.1
61.98829	100.0
62.97911	0.1
64.14826	0.1
71.54691	0.2
78.95918	0.2
78.98124	0.1
78.98616	0.1
79.95759	0.1
80.44711	0.1
80.96510	1.0
94.98129	0.2
96.96030	0.1
116.79359	0.1
121.03010	0.1
123.00868	0.2
125.02442	0.6
136.07684	0.1
151.00438	0.4
152.98660	0.2
164.98659	0.1
169.01468	0.6
179.93240	0.1
209.11844	0.1
212.97644	0.1
225.00793	0.2
271.05621	0.1
288.08682	0.7
293.21283	0.5
341.81290	0.1
441.08350	0.1
518.29291	0.1
520.10950	0.1
592.25366	0.5
593.25903	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
59.72797	0.4
61.41675	0.4
61.98823	0.6
63.32976	0.4
67.01896	0.8
69.03445	0.8
71.01369	1.2
72.99300	0.7
75.00861	0.6
79.01888	1.7
83.45403	0.4
85.02961	1.2
89.02419	0.5
95.01391	1.8
96.96011	0.9
97.02936	1.1
98.20648	1.0
106.04232	2.0
107.01405	0.7
108.02154	0.6
113.02470	0.7
119.03505	0.5
123.00881	26.0
125.02454	5.7
126.02784	0.8
136.07680	30.5
137.08034	0.8
139.00383	7.5
141.01939	3.0
145.51772	0.4
151.00368	44.7
152.00720	1.6
167.03462	0.5
169.01443	6.5
170.01765	1.1
176.36253	0.5
177.01888	0.9
243.03062	0.5
288.08768	100.0
289.09085	5.8
324.94553	0.4
440.09805	9.8
441.09912	0.8
592.10498	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	591.2615
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
53.08457	0.5
63.71952	0.5
72.17033	0.6
72.89397	0.6
74.85748	0.5
87.19046	0.6
98.20644	1.9
103.87449	0.7
132.63680	0.6
137.57401	0.6
198.22942	0.6
207.48177	0.6
229.43747	0.7
369.67636	0.6
403.90582	0.6
434.07175	0.6
443.22653	3.1
445.20279	2.1
456.23401	1.3
457.19818	0.8
458.20810	0.8
459.21979	2.7
461.36380	0.8
471.20892	1.2
471.25714	2.2
472.23239	1.0
473.23395	1.2
482.21002	1.7
485.19858	3.0
487.25574	3.5
497.23447	3.9
499.21341	4.6
500.22256	13.3
501.22458	1.8
503.21237	0.9
513.23340	0.8
514.23419	0.8
515.24530	100.0
516.24872	12.6
519.24097	0.8
559.23553	4.2
584.49530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
59.01379	6.3
61.98833	6.2
66.55619	0.9
66.76875	0.9
67.01881	1.4
68.99825	0.8
69.03446	2.5
70.00477	3.4
71.01379	3.1
72.99330	1.2
73.02930	1.4
75.00887	0.7
81.03461	1.8
83.05009	4.7
85.02947	2.2
87.00878	2.3
89.02460	0.9
91.51559	0.7
93.03449	13.5
95.01381	0.8
96.95991	1.8
97.02952	2.0
98.20552	0.8
99.04514	7.5
101.02456	1.1
107.01404	6.6
110.72237	0.6
111.00874	1.4
111.04515	15.5
113.02445	0.9
123.00868	2.5
124.01718	0.9
125.02445	77.8
126.02833	1.3
127.04011	1.8
136.07651	0.7
137.02438	7.2
139.00458	0.8
151.00336	1.4
155.03499	25.0
165.95998	0.8
167.03508	1.0
168.00627	0.9
169.01422	100.0
169.41042	0.8
170.01765	2.6
171.10265	1.3
173.04544	26.6
173.06053	1.7
177.01918	1.0
191.05588	1.3
201.05582	1.0
203.14438	4.3
221.15457	23.0
245.04460	1.4
247.13426	1.3
265.14435	16.9
287.05478	0.8
288.08820	1.2
307.04547	2.3
325.02167	0.6
325.05621	17.1
343.06741	2.6
369.22809	2.3
393.73251	0.9
421.18756	8.2
422.18777	1.0
432.42740	0.8
439.19595	15.7
440.20230	1.6
500.55530	0.7
520.90808	0.7
531.28015	1.7
573.19879	3.8
591.20844	80.4
591.29156	3.3
592.21075	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	591.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41059	1.8
51.16767	1.8
54.06065	2.0
55.43832	1.9
57.03444	17.2
59.01379	79.6
69.03459	3.3
69.98618	7.7
71.01379	32.1
72.99290	7.7
73.02962	2.7
75.00875	19.1
81.03468	3.2
83.01391	4.5
85.02950	35.4
87.00891	10.2
89.02449	8.8
95.01376	8.7
95.05014	2.6
96.96004	7.6
97.02944	4.6
99.00880	16.1
101.02419	5.3
103.00356	3.7
107.01376	4.1
109.02969	2.9
109.06576	4.9
111.00882	3.1
113.01707	3.7
113.02450	42.4
113.21226	2.0
113.45331	1.9
115.00344	2.2
123.00876	2.0
125.02443	60.7
126.02782	2.6
129.01945	4.2
135.02972	4.5
135.08144	6.2
137.02383	5.3
137.09673	2.4
138.06876	25.1
149.02409	2.5
151.04010	3.8
151.11610	2.0
153.09212	52.2
153.10472	2.6
159.03053	2.5
161.02409	6.6
163.00403	4.9
169.01427	24.0
175.00400	3.4
175.03984	3.3
175.11215	3.4
177.01913	23.0
193.03510	6.4
193.12308	8.5
205.07167	7.8
211.13368	20.1
243.02951	3.6
247.08118	3.7
249.06129	16.4
255.12357	53.8
267.07199	100.0
268.07587	5.7
269.04636	3.5
279.12350	28.4
287.05579	3.5
291.07236	32.1
301.03430	6.6
309.08356	23.8
335.06186	95.2
336.06442	4.5
439.09164	3.1
465.07721	3.7
523.16449	2.5
591.10052	15.7
591.19220	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	591.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93637	0.5
58.07073	0.6
59.01375	0.7
61.39063	0.5
67.68708	0.6
67.74449	0.5
69.03460	1.4
70.10648	2.5
79.95742	0.7
81.03445	0.6
81.85206	0.6
96.96004	8.1
97.02964	1.3
98.19976	0.6
107.01386	14.2
110.97578	1.2
124.01695	1.1
125.02451	75.4
126.02842	1.5
139.04022	0.9
149.30623	0.5
168.00961	0.5
169.01433	100.0
170.01782	2.4
176.03207	0.5
183.03009	2.4
283.09827	1.6
289.07138	0.7
311.09207	4.4
312.09842	0.6
314.11734	0.7
326.11630	3.7
326.24631	0.6
327.11990	0.7
327.73276	0.6
329.14224	0.7
341.13998	1.4
409.09579	1.5
428.96518	0.6
439.10645	14.9
440.10806	1.3
474.94955	0.6
503.07224	0.6
511.16077	37.5
512.16144	4.2
512.89856	0.6
591.11737	42.6
592.11993	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	591.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93463	0.7
57.03452	3.7
58.70421	0.6
59.01372	2.9
61.51118	0.7
69.03440	2.0
69.53053	4.2
71.01401	3.9
72.99306	1.2
75.00867	6.3
79.01887	1.3
81.03479	1.8
81.23229	0.6
83.01399	2.0
85.02953	1.9
89.02444	1.5
94.62963	0.5
95.01376	1.8
96.96019	2.3
97.02940	2.8
98.14310	0.6
99.00900	0.8
101.02425	1.8
107.01398	9.3
109.02973	0.8
111.00879	1.7
113.02460	1.8
115.00368	1.9
119.03442	0.7
121.02879	0.8
123.00904	6.7
123.04572	1.4
124.01642	2.7
125.02446	100.0
126.02779	2.8
133.01450	4.1
135.03001	35.3
137.02452	1.5
139.00388	2.8
140.01173	1.9
143.03568	1.2
149.02437	0.9
151.00354	4.1
151.03969	1.1
153.01888	0.7
155.93980	0.6
161.02464	2.4
163.00406	1.1
166.99875	1.0
167.03494	2.3
168.00671	3.9
169.01422	86.4
170.01782	2.5
175.00311	0.8
175.03958	1.4
177.01927	6.1
179.03476	1.2
193.01439	1.5
199.03998	1.0
202.96306	0.6
209.04419	0.7
211.02490	2.2
213.48134	0.6
221.04626	0.8
225.03986	1.2
229.01509	0.9
233.04568	0.7
237.03876	0.8
243.03021	1.3
253.03557	0.9
255.03004	1.0
271.04642	1.4
272.82309	0.7
277.03320	0.7
287.03983	13.8
295.04620	2.0
301.03641	1.2
313.05667	16.3
314.06015	0.8
331.92194	0.6
377.05121	1.3
381.46616	0.8
439.04999	9.4
439.09274	7.5
440.05164	0.7
465.06958	4.9
591.09973	89.2
592.10291	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	591.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.5
59.39046	0.6
61.98833	1.2
67.01877	1.0
69.03455	2.4
71.01385	2.1
73.02964	0.8
79.01887	1.0
81.03480	0.8
83.01374	1.9
85.02954	1.6
85.24470	0.5
87.00887	0.7
95.01408	2.4
96.96004	1.8
97.02949	2.2
97.10866	0.5
101.02412	1.4
107.01396	8.9
109.12296	0.6
109.90382	0.5
110.22943	0.6
111.00880	2.3
113.02464	2.3
121.79517	0.6
123.00896	10.1
124.01682	6.1
125.02448	93.7
126.02789	1.7
136.07683	0.8
136.98836	0.9
137.02505	1.0
139.00362	4.0
140.01173	4.0
141.01945	1.1
151.00357	5.3
151.03952	0.8
151.95673	0.6
153.01953	1.1
166.99828	1.6
167.03487	1.1
168.00662	5.8
169.01421	67.0
170.01788	2.2
177.01929	1.8
191.03510	0.9
193.01430	0.7
211.02458	0.9
229.74423	0.7
237.04047	2.6
253.03613	1.0
287.07864	1.1
288.08667	2.0
295.04587	2.8
297.06073	0.9
313.05670	10.9
314.05923	0.7
360.85428	0.7
403.12451	1.4
421.07651	2.2
439.08774	16.6
440.09134	1.6
465.06802	1.8
522.27832	0.6
555.13641	2.3
591.09882	100.0
592.10199	11.3
609.60785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35024	1.7
55.01869	2.9
57.03446	2.3
58.00587	4.7
59.01376	100.0
61.98828	12.8
68.75600	1.8
71.01379	58.6
72.99306	5.4
75.46745	1.6
83.01376	4.8
83.05008	2.2
83.14395	1.8
85.02935	8.7
87.00895	2.4
89.02438	71.8
95.01403	2.7
98.02455	2.0
98.20700	2.9
101.02436	41.6
108.08206	4.3
109.46651	1.8
113.02438	19.9
119.03499	39.5
125.02431	6.0
126.09214	6.9
129.06938	1.7
130.28473	1.9
131.03397	2.2
138.09299	2.5
143.03503	6.3
146.71426	1.8
149.04558	2.5
156.10289	3.6
161.04558	5.7
169.01433	4.7
179.05588	12.6
225.22247	13.3
229.57784	2.3
233.27841	1.9
271.22821	5.8
296.25717	3.6
300.32297	1.9
392.31659	4.3
407.51733	2.2
410.27234	2.2
410.32712	46.1
411.33078	2.3
428.33630	19.3
590.39087	56.8
591.39386	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	590.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27009	0.4
59.01368	0.6
61.98831	100.0
80.96524	0.7
97.09433	0.5
123.01034	0.4
125.02468	0.7
126.61919	0.5
134.11798	0.4
150.46492	0.5
155.03986	0.4
181.78235	0.4
214.29201	0.6
413.44183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15903	2.2
54.91815	2.5
59.01379	18.7
61.98530	3.6
61.98830	41.7
66.87177	2.3
69.29819	2.6
70.58717	7.9
71.01396	6.8
89.02459	4.1
89.17955	2.0
101.02456	3.6
113.09718	5.9
125.02449	3.7
126.30281	2.3
140.75493	2.4
169.01443	2.5
171.10263	4.4
185.72144	2.5
230.54533	2.4
231.33847	2.0
235.16995	8.0
253.09283	24.3
275.20065	13.0
293.21231	100.0
294.21515	6.7
329.61877	2.2
416.61319	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	590.282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39512	0.4
61.98830	100.0
64.01626	0.3
78.67329	0.3
78.91618	0.4
105.96992	0.4
119.90932	0.4
120.11001	0.3
125.02456	1.2
150.54347	0.4
169.01419	0.9
189.82266	0.4
229.71846	0.3
257.09335	0.5
309.24817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05162	0.7
72.99312	2.1
74.81161	0.7
75.00874	100.0
78.95945	0.9
98.19885	3.3
125.02525	0.9
138.33459	0.8
159.84462	0.8
169.01477	1.0
251.75655	0.8
367.00107	0.8
434.56943	0.8
465.13986	0.8
491.23767	0.9
505.25589	1.2
616.63800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50887	1.1
57.03449	2.1
59.01379	20.6
61.98833	31.1
69.24405	10.6
70.86420	1.1
71.01373	4.9
71.05024	2.4
73.02937	1.4
78.95909	1.5
89.02448	4.2
94.35455	1.1
101.02428	4.0
107.90587	1.2
109.42049	1.1
113.02448	2.8
113.09703	2.4
125.02433	3.4
161.04608	1.4
169.01460	2.6
171.10243	1.9
195.14027	1.2
219.02979	1.1
235.17006	11.4
253.09279	20.5
275.20126	15.2
283.15466	1.2
293.21228	100.0
294.21478	5.7
333.45029	1.2
387.90277	1.2
514.15521	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29790	0.1
57.03447	0.8
59.01369	0.7
61.98809	0.2
63.02420	0.2
65.00307	0.8
67.01874	0.2
68.99808	0.2
69.03486	0.1
70.97643	0.3
71.01391	0.4
80.02739	0.1
81.03455	6.6
83.01381	2.8
85.02937	0.4
92.90140	0.1
93.03443	0.4
95.01380	0.3
95.05018	1.2
97.02937	0.5
99.04484	0.3
107.01373	0.5
107.05045	0.2
108.02216	0.2
109.02972	0.3
119.05000	0.1
121.02973	0.5
123.04525	37.8
124.04822	0.9
125.02441	4.9
131.01376	0.4
135.00891	0.2
135.04471	0.7
137.02414	0.7
137.06125	0.2
139.03963	0.7
147.04515	0.2
149.02458	1.2
151.00363	1.4
151.04051	1.1
161.72762	0.1
163.03972	1.1
165.05481	0.1
166.02704	0.4
167.03488	100.0
168.03841	2.8
175.00360	1.3
177.05569	0.1
179.03520	1.0
180.04308	0.2
181.05064	2.1
191.03496	21.1
192.03833	0.8
192.37376	0.1
193.05040	0.5
205.05043	0.2
209.04535	9.3
210.04881	0.4
221.04538	2.7
233.04378	0.2
239.05899	0.2
297.40768	0.1
589.30170	3.5
590.30249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26596	0.4
55.03589	0.4
57.38954	0.4
72.99313	1.7
75.00874	100.0
76.01208	0.7
81.58421	0.4
125.02410	0.5
229.75398	0.4
277.21576	0.6
321.08722	0.4
392.10919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
56.08153	0.3
57.03452	3.7
58.00584	0.8
59.01379	21.0
61.18954	0.2
61.98829	0.6
67.01879	0.7
68.99821	1.6
69.03448	2.3
71.01380	29.1
72.01690	0.3
72.99307	8.7
73.02945	10.8
73.99643	0.3
75.00871	27.9
76.01217	0.5
81.03429	0.6
83.01391	5.8
84.02154	0.5
85.02952	27.1
86.00098	0.3
86.03278	0.4
87.00873	8.0
88.01200	0.3
89.02441	4.0
93.03418	0.4
95.01385	3.1
96.96014	0.5
97.02961	3.3
99.00883	10.0
99.01528	0.6
100.01224	0.3
100.11866	0.2
101.02444	6.7
103.00365	2.3
109.02959	0.7
111.00870	1.2
113.02448	28.8
114.02771	0.5
115.00370	3.0
117.01935	2.4
123.00870	0.3
125.02444	2.1
129.01953	1.8
131.03503	4.9
131.88249	0.2
133.01451	0.6
135.89592	0.2
137.02411	0.3
143.03406	0.3
149.04515	0.8
151.00333	0.4
151.69983	0.2
155.03448	0.5
157.01440	1.5
163.02487	0.2
169.01402	1.3
173.03114	0.5
173.04544	8.7
174.04933	0.3
175.02469	5.0
191.05588	2.1
193.03534	13.7
194.03961	0.3
211.02408	0.2
215.05605	0.9
217.03488	0.7
235.04573	8.3
299.17981	0.3
337.07794	0.3
343.06808	0.3
379.08780	3.9
397.09811	2.1
442.61780	0.2
529.23358	0.4
571.23883	0.3
589.24982	100.0
590.25311	11.6
617.05652	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
57.03445	3.8
58.00584	0.8
59.01379	22.4
60.01710	0.5
61.98816	0.5
67.01876	0.5
68.99816	1.6
69.03466	2.1
71.01382	28.4
72.01711	0.4
72.99308	7.7
73.02945	9.8
75.00871	26.0
79.10143	0.3
81.03462	0.7
83.01389	5.9
85.02949	27.5
87.00335	0.5
87.00872	9.0
88.01241	0.3
89.01998	0.4
89.02451	4.5
89.94855	0.3
93.03471	0.4
95.01382	2.9
96.96020	0.7
97.02956	4.2
98.19904	0.6
99.00259	0.6
99.00886	10.8
101.01786	0.5
101.02443	7.1
103.00381	2.3
109.02934	0.6
111.00877	1.4
113.02451	30.1
114.02770	0.9
115.00356	2.4
117.01948	2.4
125.02416	2.0
126.02729	0.4
129.01947	1.9
131.03505	6.6
133.01463	0.5
143.03497	0.4
149.04585	0.8
151.00389	0.4
157.01376	1.5
169.01414	1.5
173.04553	7.6
175.02464	5.1
191.05621	2.1
193.03522	15.4
194.03891	0.6
203.05702	0.4
215.05563	0.7
217.03419	0.4
233.06613	0.3
235.04587	8.0
249.06190	0.4
379.08798	3.4
380.09097	0.5
397.09763	2.2
529.23303	0.5
589.24988	100.0
590.25311	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	589.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97147	1.1
50.98334	1.2
59.01366	3.4
63.18277	1.1
68.99808	2.2
71.01376	1.9
71.51485	1.5
72.76921	1.1
72.99301	1.7
75.00862	8.8
75.94910	1.1
78.95915	1.9
81.03430	1.9
82.55250	1.2
83.05022	2.4
85.01032	3.1
85.02928	1.9
87.00859	2.1
89.02450	1.7
93.03446	11.3
103.00347	4.9
107.01384	13.5
107.95822	1.3
109.02978	1.7
111.04556	6.8
112.98808	14.4
123.00884	2.4
125.02454	21.7
130.46199	1.2
135.59833	1.1
137.02422	3.6
145.01393	4.1
149.25220	1.2
152.99641	2.2
155.03467	5.5
155.04977	1.1
157.01431	1.2
169.01402	17.6
170.01688	2.1
173.04506	1.9
191.05608	3.9
199.04185	20.2
217.05234	14.3
245.04370	5.7
245.68349	1.3
248.01198	1.1
259.06268	9.1
263.05844	2.3
271.02737	2.6
273.07709	1.3
289.03644	5.6
289.07297	3.9
295.06451	1.4
317.06592	1.8
327.05139	2.7
333.06488	1.6
343.06494	1.5
345.06436	7.1
369.06512	5.9
383.07825	4.7
405.08325	6.2
406.08710	1.3
411.07870	2.2
419.10028	13.3
437.11057	87.1
438.11517	7.1
557.09381	7.9
589.12128	100.0
590.12537	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	589.121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01346	3.1
60.18942	1.7
69.03458	2.2
71.01367	3.3
71.53706	2.6
72.99297	2.9
75.00865	6.6
78.95900	8.8
83.05003	4.0
85.01015	7.4
85.02927	2.2
87.00867	3.5
91.88239	2.1
92.75759	1.8
93.03454	11.5
96.96000	5.1
96.96947	2.4
99.00874	3.7
103.00364	5.5
107.01389	22.2
109.02924	3.1
111.04522	10.8
112.98790	17.1
125.02452	39.8
137.02496	2.4
145.01469	12.8
152.99547	4.9
155.03448	7.3
169.01416	40.0
171.00760	3.6
173.04529	5.1
191.05577	12.1
199.04152	24.2
217.05275	13.5
245.04292	15.7
259.06290	25.3
263.05835	3.1
271.02618	3.7
276.49789	1.9
276.52869	1.9
289.04083	3.2
289.07275	9.1
327.05252	2.9
343.06506	4.1
345.06339	11.5
349.09399	2.5
369.06348	18.6
383.07864	14.6
405.08459	21.6
406.08777	2.4
411.07379	5.3
419.10147	8.9
437.11081	100.0
438.11346	6.3
495.31989	2.0
497.07349	4.5
501.80209	2.2
529.35455	2.0
557.09644	12.3
558.09381	2.2
589.12183	98.5
590.12360	6.9
609.66754	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	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45910	5.0
54.02291	5.2
59.01369	17.5
61.98822	18.8
70.79911	13.4
81.01931	7.0
96.96020	8.0
107.85813	5.8
117.35962	5.9
125.02433	11.8
137.02425	11.7
151.00389	6.5
158.25444	6.9
173.58055	5.6
242.52946	5.3
253.09250	14.1
291.19659	100.0
292.20108	6.5
424.76651	6.6
439.08276	7.8
473.73984	6.3
506.45984	7.2
527.28772	10.3
581.58929	7.4
587.26965	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	587.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36457	0.8
56.55857	0.8
57.03436	1.3
59.01157	0.7
59.01378	8.4
60.31407	0.8
61.98824	1.8
66.27318	0.9
66.35516	1.0
68.99780	0.9
70.06830	2.9
71.01365	3.7
72.99302	1.1
73.97924	0.9
75.02425	0.9
85.02930	2.6
87.00875	1.7
89.02427	1.5
95.01386	1.9
96.96009	4.9
98.19910	1.9
101.02472	1.4
105.01888	2.1
107.01381	6.7
107.05033	17.3
109.02937	4.2
111.00883	1.4
113.02406	1.8
121.02966	9.8
122.03750	9.0
123.00861	6.2
124.01641	2.3
125.02441	47.0
126.02739	2.8
133.02942	3.9
135.04549	1.2
137.02412	3.4
139.00339	2.7
140.01149	2.3
150.03246	2.6
151.00381	4.6
151.04042	1.4
154.02675	2.3
154.99857	1.0
165.03983	2.2
167.03545	1.0
168.00629	2.6
169.01414	51.8
170.01765	5.0
171.01840	2.2
177.01842	1.0
182.02193	3.6
209.06004	1.4
211.02393	1.9
223.13379	1.3
225.05510	1.1
226.06410	1.3
227.07074	3.1
229.08687	44.9
230.08960	1.9
255.06619	51.4
256.06876	2.5
271.06299	1.1
273.07639	13.5
313.05640	12.6
334.30371	1.0
337.07709	3.6
375.27237	1.3
417.12140	1.7
435.12979	13.6
465.06479	2.7
507.30780	1.2
543.15057	26.8
544.15405	2.0
587.13873	100.0
587.27643	3.3
588.14368	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	587.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93924	1.0
57.03442	3.9
59.01372	3.5
61.98832	21.1
65.00347	0.9
71.01365	3.0
72.99330	1.2
74.30607	0.9
75.00864	1.3
79.01890	1.3
81.03452	9.1
83.01387	4.2
85.02959	2.5
88.98790	2.1
93.03458	4.7
95.01368	1.9
96.95997	1.5
97.02938	1.3
98.19878	3.1
101.02403	1.2
107.01358	1.9
109.02922	3.0
111.00871	1.5
119.05021	12.0
123.00890	17.7
123.04515	24.4
124.01563	1.1
125.02442	64.4
126.02782	2.6
137.02429	1.9
139.00357	3.6
141.01917	1.3
145.02942	1.1
147.04498	1.7
147.81104	1.0
149.02428	2.7
150.03233	2.4
151.00359	21.4
151.04005	1.6
161.02428	1.1
165.05557	2.7
167.03494	57.0
168.03857	2.8
169.01422	18.1
176.59418	0.9
177.01892	3.0
179.03467	6.0
189.01888	2.0
189.05544	2.3
191.03496	1.6
193.01419	1.8
195.06537	1.0
217.01375	2.3
219.02882	1.0
229.08719	3.7
273.07675	59.7
274.07922	2.9
287.79831	1.0
299.05508	11.9
313.05621	4.1
323.05542	1.6
341.06537	4.7
342.07040	1.0
343.61371	1.1
359.27905	1.8
381.09769	5.9
425.08752	100.0
426.09128	9.4
435.11301	5.9
464.52756	1.0
490.36118	1.1
587.14099	30.9
587.23553	2.7
588.14227	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	587.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.4
59.01383	5.7
61.98830	9.4
65.00328	1.0
67.67118	0.6
69.03438	1.2
71.01038	0.8
71.01385	5.4
71.56229	0.9
73.02927	1.1
75.00812	0.8
79.01894	0.8
81.03447	10.2
82.12266	0.6
83.01389	4.1
85.02949	1.3
87.00871	1.1
88.98785	1.3
89.02427	0.9
93.03469	4.2
95.01383	1.9
95.05010	1.0
96.95994	3.8
97.02938	1.4
101.02404	1.5
106.91909	0.6
107.01385	8.1
109.02943	1.1
111.00872	1.5
113.02424	2.3
119.05031	10.1
121.02937	1.0
122.03735	1.1
123.00900	5.4
123.03617	1.4
123.04521	22.9
124.01701	1.0
125.02447	68.3
126.02739	2.1
135.04532	1.3
136.98779	0.9
137.02405	2.4
139.00360	1.7
139.04019	1.1
140.01106	1.3
145.02930	0.8
149.02402	1.9
151.00372	6.5
151.03984	1.5
153.01939	1.1
161.02373	0.7
163.03952	1.1
165.01967	1.4
165.05537	0.7
165.33235	0.7
167.03493	56.1
168.00656	3.9
168.03806	1.7
169.01424	60.8
170.01753	1.5
173.04512	2.5
177.01927	1.3
179.03481	3.5
181.05072	1.1
189.05510	1.9
191.03484	4.9
195.06622	0.8
196.87305	0.7
209.04388	1.5
211.02440	7.4
220.73260	0.7
229.08636	1.2
241.03548	1.5
244.14319	0.6
253.03464	0.8
271.04428	4.9
273.07678	32.9
274.07904	2.6
297.07507	2.6
313.05624	20.4
317.03033	0.9
321.06122	8.3
341.06531	1.9
392.69620	0.7
416.51645	0.7
435.11032	2.6
439.08847	4.7
481.09995	0.8
524.22070	1.3
525.22528	0.9
587.13934	100.0
588.14215	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	587.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.5
59.01377	13.8
61.98830	51.8
62.05877	1.0
64.40229	1.0
65.00335	1.0
67.01864	1.2
69.03444	3.8
71.01389	7.0
72.99327	1.9
73.02954	3.9
75.00871	2.5
79.01869	1.1
79.95695	1.2
80.02699	1.3
81.03468	3.5
83.01379	2.5
85.02953	3.5
87.00893	1.5
88.98821	2.4
89.02448	3.2
92.73300	1.0
93.03467	6.7
95.01385	3.6
95.05038	1.2
96.96013	7.2
97.02939	3.5
98.20641	4.0
101.02448	3.9
107.01398	4.8
108.02201	1.5
109.02973	10.7
111.00887	3.2
112.52178	1.2
113.02457	4.6
117.03468	1.3
119.05032	4.9
121.02965	1.8
123.00879	9.9
123.04530	14.4
124.01670	1.5
125.02454	71.7
126.02796	5.6
127.00321	1.2
127.02877	1.2
133.02989	2.4
135.00877	1.6
135.04515	1.2
137.02412	4.6
139.00377	3.2
139.03976	1.4
140.01167	2.1
145.02942	11.9
145.11470	0.9
147.04498	2.0
149.02446	4.8
150.03238	10.3
151.00362	8.1
151.03967	4.4
152.01163	1.5
161.02425	1.9
163.04102	1.6
163.06100	1.5
165.01874	2.9
165.05585	10.4
166.06073	1.7
166.99857	2.3
167.03511	11.9
168.00606	3.0
169.01433	100.0
170.01746	6.4
171.01999	2.0
173.04568	1.7
177.01932	32.7
179.03484	2.6
181.08640	1.4
187.03932	1.5
189.01918	21.0
190.02769	5.2
191.03496	7.0
193.01424	3.6
195.06628	6.9
196.06857	1.8
201.01918	2.6
203.03491	3.6
216.00630	3.6
217.01381	19.6
218.01958	1.3
219.02988	8.8
229.05084	1.8
231.02988	7.1
241.05064	1.2
271.06216	9.0
273.07742	12.7
274.07968	1.3
283.06232	3.5
289.07159	5.6
297.07684	2.8
299.05771	1.8
303.05212	1.2
311.05664	4.9
313.05704	1.2
323.05591	14.2
341.02490	2.4
341.06662	48.5
342.07181	2.8
357.26813	1.3
358.26462	1.6
359.27502	1.5
381.10162	1.4
417.09900	8.9
417.14819	1.7
425.08765	22.7
435.10776	58.4
436.10947	6.4
443.11832	1.8
477.08447	2.7
497.20309	1.4
524.21570	1.3
525.23206	1.3
538.20563	1.2
563.42853	1.1
587.13129	19.5
587.25671	6.8
588.12994	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	586.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.0
59.01379	23.2
61.98832	28.3
66.03439	1.4
66.47485	1.6
67.01879	3.7
71.01384	9.4
73.02933	3.0
75.00854	2.3
79.01899	1.6
79.39980	1.4
81.03478	1.9
83.01394	1.7
85.02957	5.2
87.00904	2.4
89.02422	2.1
93.03459	19.8
95.01392	3.1
96.96017	11.9
97.02931	2.5
98.95586	3.2
99.00921	2.4
99.92590	11.8
101.02450	2.4
107.01389	7.5
108.02186	1.6
109.02944	8.4
111.00877	3.0
113.02453	4.5
115.92063	22.6
116.92857	7.8
119.05008	1.4
121.02997	1.5
123.00906	9.1
123.04517	5.3
125.02450	66.3
126.02804	4.0
130.08772	1.8
133.02939	2.3
136.98758	2.8
137.02435	48.1
139.00372	5.0
139.03993	2.2
140.01149	3.3
145.02951	4.9
149.02382	2.7
150.03226	1.6
151.00342	7.2
151.03990	5.0
154.01479	3.1
161.02400	2.3
163.03958	2.0
165.01877	2.1
166.99817	2.1
167.03525	5.0
168.00626	7.1
169.01419	100.0
170.01759	5.1
177.01906	21.2
187.04082	2.0
189.01903	16.0
190.02711	2.8
191.03484	4.3
193.01463	3.3
201.01889	1.8
205.05122	1.7
211.02414	19.0
216.00688	4.7
217.01382	12.9
219.03014	5.7
229.05148	2.5
231.02936	5.5
271.04434	26.6
273.07776	2.5
283.06076	4.9
289.07037	1.5
293.25031	1.8
311.05713	4.7
313.05679	4.2
323.05548	9.3
341.06662	30.6
417.09729	4.4
425.08810	3.2
435.10803	46.5
477.08154	1.8
523.21796	62.8
524.22467	7.3
550.17493	9.9
551.17505	3.1
586.18530	12.8
586.27032	4.9
587.13715	17.3
587.24127	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	585.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
57.10803	0.5
59.01381	1.6
61.98827	15.5
65.43404	0.5
70.08302	0.6
70.08635	2.2
71.01401	1.1
71.07397	0.5
75.00829	0.5
85.02988	1.1
88.98795	0.5
93.03465	3.8
95.05004	0.5
96.96026	1.5
98.20535	0.8
107.01404	1.7
117.49401	0.5
121.02965	5.2
122.03735	13.5
123.00916	0.8
123.04579	0.7
125.02448	16.5
126.02707	0.5
133.02930	1.5
136.01648	1.5
137.02463	0.9
148.01646	0.7
149.02432	35.8
150.03223	93.9
151.03616	2.2
160.01620	0.6
164.04782	7.7
165.05565	100.0
166.05894	4.0
167.03459	1.1
169.01416	21.1
170.01805	0.7
174.75714	0.5
179.07133	1.1
180.04271	5.8
195.06616	63.4
196.06964	2.6
201.92186	0.5
222.09000	0.5
227.74709	0.5
228.03857	0.6
242.09277	0.6
257.11804	0.6
270.08868	1.5
283.09714	1.4
285.11237	2.6
286.08514	1.0
296.10477	0.6
297.07840	0.6
297.11230	0.6
298.08582	0.9
299.09244	2.1
299.12704	1.1
311.09140	1.0
313.10733	1.4
314.07907	2.0
325.10776	0.8
326.11514	0.7
327.12259	4.2
328.13104	7.2
329.10269	5.3
330.10861	1.4
341.10245	7.2
341.14001	0.5
342.10959	0.8
343.15439	1.6
344.12610	7.2
345.13242	1.1
350.64655	0.5
355.11774	1.0
356.12656	3.2
357.13293	1.0
359.14978	21.4
360.15137	1.8
371.14984	17.1
372.15430	1.3
373.25763	0.9
421.28299	0.6
461.15900	1.2
463.17535	1.2
492.17853	1.2
507.20203	9.2
508.21158	1.0
519.20294	1.2
522.19922	1.0
537.21252	47.9
538.21448	5.6
585.15424	1.2
585.23975	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	585.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	9.2
59.01371	2.3
69.03427	1.8
71.01382	2.1
71.47298	1.6
75.43551	1.1
81.03439	1.4
83.01392	1.0
83.05012	1.3
84.89259	1.0
85.02957	1.6
93.03450	1.1
95.05029	1.7
97.02946	3.6
101.02419	3.7
105.07079	1.0
107.01396	2.8
109.06573	5.8
111.04475	1.5
113.02442	1.4
114.99205	1.0
123.00865	4.3
123.04527	5.6
123.08157	1.1
125.02451	16.7
125.94827	1.0
131.23555	1.0
135.08157	6.3
137.09705	3.5
138.06865	29.2
139.00293	1.2
151.00363	2.9
153.09212	65.8
154.09560	3.1
167.03488	27.3
168.00606	1.1
169.01431	17.0
175.11279	2.6
183.13907	2.0
193.12349	9.2
211.11467	2.0
211.13388	25.6
255.12360	100.0
256.12695	4.8
265.97180	1.1
267.07141	2.1
278.90997	1.2
313.05585	1.4
329.08640	5.4
433.13531	10.3
436.24759	1.1
567.18250	1.3
585.14459	35.3
586.15027	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	585.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65705	0.6
59.01380	4.6
61.98825	1.8
67.01851	1.5
69.03460	1.2
71.01378	4.1
71.51903	0.5
71.52309	1.0
72.99297	1.2
73.02939	1.9
74.87964	0.7
79.01894	1.2
83.01368	1.5
83.30592	0.5
85.02947	3.0
87.00854	1.5
89.02450	1.4
95.01382	2.0
96.96016	3.7
97.02950	1.5
99.00868	1.0
101.02431	3.5
107.01398	12.2
110.00134	0.7
111.00868	2.8
111.04465	0.8
112.56911	0.6
113.02435	2.8
119.03479	0.6
123.00883	12.7
124.01706	1.1
125.02441	46.2
126.02785	1.4
126.90431	4.1
127.00314	0.7
136.98781	1.4
139.00346	5.7
140.01140	4.1
141.01915	1.6
151.00377	10.0
151.04010	0.9
153.01927	0.7
161.02441	0.6
163.03976	1.0
165.05516	0.8
166.99892	1.3
168.00681	4.6
169.01419	59.9
170.01729	2.3
177.01886	2.1
180.23244	0.7
193.05013	1.0
209.04485	0.7
211.02388	2.3
253.07187	0.9
271.04642	1.8
271.08340	1.0
302.18695	0.7
309.85696	0.6
313.05505	4.0
339.07324	0.6
340.05377	2.1
415.12302	1.2
433.13492	51.5
434.13834	4.5
585.14502	100.0
586.14911	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	585.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
59.01403	0.6
61.98827	4.7
65.00340	0.4
67.01891	0.4
69.03456	1.7
71.01356	0.3
79.01880	0.6
81.03455	0.9
83.01408	0.3
85.02925	0.3
87.09623	0.3
93.03465	0.9
95.01387	1.0
95.04987	0.4
97.02957	1.2
107.01389	6.1
110.25312	0.3
121.02956	1.2
122.03750	1.5
123.00900	0.9
124.01661	0.7
125.02444	69.2
126.02760	1.8
133.02927	0.3
135.00874	0.5
136.01640	0.4
137.02434	1.1
149.02426	3.2
150.03221	9.9
151.00403	0.6
151.03915	0.5
164.04805	1.1
165.01929	0.5
165.05553	10.1
167.03514	2.4
169.01419	100.0
170.01753	3.1
171.04453	0.4
180.04309	0.8
183.50911	0.3
191.10724	0.3
195.06601	6.9
197.71658	0.3
199.03996	0.6
213.05435	0.4
229.04942	0.4
230.05417	0.6
241.05101	0.3
257.04327	0.4
258.04785	0.4
258.94238	0.3
259.05164	0.4
265.10648	0.7
285.04059	4.2
285.11420	0.4
286.04364	3.0
286.61142	0.3
287.04614	4.0
289.10809	2.4
313.05734	0.6
327.12393	0.8
328.13199	1.0
329.10199	0.4
341.10150	0.7
344.12653	0.8
355.11859	0.4
359.14914	2.7
371.14764	1.7
383.11261	0.3
397.13068	0.4
415.13962	3.4
416.14600	0.5
433.14975	0.9
465.06674	3.4
507.20264	1.1
537.21191	5.1
538.21497	0.8
585.16254	8.0
585.24963	1.2
586.16577	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.0
58.72019	0.6
59.01385	4.5
61.98827	1.0
69.03454	1.1
69.20620	3.2
69.21043	4.1
71.01377	4.1
72.99287	1.1
73.02973	1.2
74.17464	0.8
75.00846	0.8
79.01872	1.3
85.02937	2.4
87.00891	1.4
89.02444	2.5
95.01375	1.3
96.95998	1.0
97.02969	1.5
98.20637	1.7
99.00900	1.1
101.02452	2.3
102.10105	0.7
107.01392	9.3
110.74335	0.6
110.93618	0.7
111.00893	2.6
113.02451	3.1
119.07109	0.9
123.00887	12.3
124.01657	1.3
125.02448	42.3
126.02788	1.8
126.90455	4.4
127.00368	0.8
136.98839	1.0
139.00383	4.7
140.01183	3.7
141.01944	1.2
150.03198	1.1
151.00363	8.4
151.04039	0.8
153.01904	1.2
155.03389	1.0
161.02507	0.9
161.04449	0.8
165.01924	1.0
165.05469	0.9
168.00664	5.0
169.01422	55.6
170.01735	1.5
175.03914	0.8
177.01892	1.7
178.02684	0.9
179.03432	0.9
180.04276	1.1
181.05119	1.3
187.09773	0.8
193.05026	0.9
195.06689	1.4
211.02463	2.3
253.07169	1.2
271.04565	2.2
271.08231	0.8
285.47467	0.8
295.04370	1.4
313.05701	3.5
367.00836	0.8
415.12454	1.6
433.13474	38.5
434.13803	3.1
437.16422	1.9
536.66168	0.8
585.14532	100.0
586.14923	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	585.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.3
61.98825	4.8
67.01875	0.7
69.03441	0.8
69.28946	3.2
69.29377	2.3
71.01392	4.1
71.50459	0.6
72.99304	0.7
73.02930	0.7
76.79993	0.6
79.01862	0.7
79.95732	0.8
83.01374	1.4
85.02946	1.4
93.03449	2.8
95.01364	1.8
96.96018	7.0
97.02966	0.9
101.02437	1.1
107.01388	8.7
109.02926	2.1
110.97562	0.8
111.00871	1.0
113.02418	1.2
119.05006	4.5
121.02937	1.7
121.31213	0.5
123.00877	6.6
124.01639	1.4
125.02451	46.8
126.02804	0.8
127.00364	0.7
137.02426	2.6
139.00348	2.1
140.01102	1.8
143.03816	0.6
143.04997	0.8
145.02887	0.7
147.20787	0.6
151.00389	9.4
153.01894	0.7
165.01930	46.4
166.02242	1.3
167.03453	1.1
168.00612	1.7
169.01428	71.3
170.01753	1.7
175.02423	0.7
177.01891	1.1
177.28621	0.7
185.06033	1.7
193.01349	1.0
207.02957	1.0
211.02403	2.3
227.07132	4.1
241.03517	2.6
253.05101	1.7
271.06223	20.9
313.05569	17.2
343.08185	0.7
350.55563	0.7
387.23880	0.7
421.09436	0.7
433.11197	4.3
439.09103	0.8
522.20636	0.8
525.62518	0.7
541.13403	6.9
585.12372	100.0
586.12695	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	585.125
Annotation	CHEBI:73787
Peak:m/z	Relative Intensity
53.28903	0.6
57.03484	0.7
59.01371	4.4
61.98827	17.5
61.99159	0.9
67.01898	0.7
69.03461	1.4
69.34969	0.6
71.01375	5.1
71.55341	0.6
71.55742	0.7
72.99296	0.7
73.02943	1.7
79.01899	0.7
79.95754	1.7
81.03476	1.6
83.01407	2.9
85.02962	1.8
93.03473	3.0
94.40486	0.6
95.01409	1.8
96.96004	10.1
97.02965	1.1
101.02470	2.1
107.01394	10.9
109.02967	1.4
110.97615	0.8
111.00884	1.6
113.02462	2.0
119.03486	0.6
119.05023	6.5
121.02979	2.4
123.00885	8.1
124.01701	1.5
125.02450	60.1
126.02792	2.0
136.98804	0.8
137.02438	3.2
139.00386	3.2
140.01170	2.2
143.05064	1.0
149.02429	0.8
151.00354	11.8
151.03947	0.9
153.01927	1.5
163.03928	0.7
164.01103	0.7
165.01929	46.6
166.99913	1.2
167.03589	1.3
168.00653	4.3
169.01422	87.3
170.01738	3.3
177.01926	2.1
179.03468	1.3
185.06075	2.1
193.01427	2.3
211.02480	5.3
227.07130	5.5
241.03484	2.9
247.40125	0.6
253.04970	2.5
270.94971	0.6
271.06384	20.2
297.16592	0.8
301.03534	1.4
313.05447	15.7
335.97003	0.7
343.08109	2.4
387.23730	1.8
433.11234	2.7
439.09070	1.7
521.20013	1.2
522.20654	7.5
541.13446	8.6
542.13013	0.9
585.12244	100.0
585.25336	3.9
586.12653	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	585.1248
Annotation	CHEBI:73787
Peak:m/z	Relative Intensity
57.03446	4.5
59.01376	3.5
59.42540	0.7
61.98829	4.9
63.02396	0.9
67.01881	0.9
69.03465	1.5
69.27560	7.2
71.01373	4.9
73.02943	0.8
79.01888	1.1
81.03490	0.9
83.01385	5.4
85.02956	2.7
87.00881	0.8
89.02449	1.0
93.03456	4.3
95.01387	1.5
96.95986	1.9
97.02938	1.1
98.20724	1.4
101.02443	1.7
101.30878	0.8
107.01392	15.5
109.02937	1.1
111.00838	1.8
113.02451	2.5
119.05025	16.4
123.00887	7.4
124.01702	1.9
125.02444	100.0
126.02784	2.3
136.98795	1.0
137.02437	2.3
139.00359	2.5
139.04005	1.1
140.01120	1.5
145.02919	3.3
145.47667	0.7
146.96021	0.7
149.02444	1.6
150.03197	2.2
151.00363	34.3
151.03961	1.5
152.00642	0.9
161.06078	1.0
164.01242	0.7
165.01924	5.5
165.05609	2.5
166.99832	1.4
167.03491	2.2
168.00679	4.5
169.01418	99.7
170.01797	1.9
175.00362	2.0
177.01945	2.9
180.04169	1.4
185.06039	1.7
187.03999	1.2
193.01511	1.5
195.06609	2.7
211.02463	10.2
212.02879	1.7
241.03442	2.3
253.03557	0.8
271.06525	15.1
272.04807	2.1
285.04129	1.3
313.05621	52.7
314.05997	2.9
317.03015	0.8
343.49811	0.7
354.44214	0.8
383.11459	1.0
387.23633	1.1
390.10580	0.8
401.12469	1.1
439.08786	48.5
440.08899	3.0
455.05722	0.9
465.06580	3.0
491.08102	3.8
507.20078	2.1
522.13324	1.4
522.20551	8.3
523.21796	3.6
585.12469	84.9
585.26324	6.8
586.12738	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	585.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.7
57.43537	0.7
59.01369	2.8
61.98809	1.6
63.86668	0.7
65.00308	2.5
67.01866	0.8
68.17687	0.6
69.03434	1.7
71.01390	4.7
71.53826	1.0
73.02946	1.1
77.50079	0.6
78.88539	0.7
82.79575	0.7
83.01372	3.7
85.02953	1.7
93.03433	2.1
95.01367	1.8
96.96004	0.9
97.02944	0.9
101.02422	0.9
107.01390	11.8
109.02933	1.0
111.00867	1.7
113.02435	1.5
119.05018	7.9
121.02948	1.6
123.00883	6.9
123.76517	0.7
124.01688	1.4
125.02449	87.6
126.02767	3.0
136.98784	0.8
137.02446	3.5
139.00354	2.8
139.04021	1.0
140.01178	1.5
141.01889	0.8
145.02951	2.0
149.02435	2.1
151.00377	17.8
152.00685	1.0
153.01923	1.0
164.01193	0.9
165.00522	1.5
165.01927	28.8
166.02237	0.9
167.03471	1.8
168.00629	2.2
169.01424	88.8
170.01749	2.5
177.01868	1.5
179.03496	0.9
185.06111	0.9
187.03886	1.3
189.25870	0.7
193.01408	1.2
207.02948	0.8
211.02475	6.0
241.03487	3.1
253.03291	1.1
271.06274	17.9
272.06284	1.1
301.03659	1.1
313.05627	36.9
314.06049	1.7
338.01447	0.7
433.11240	1.8
439.08789	59.5
440.08963	3.7
465.06912	1.1
499.31018	0.8
585.12396	100.0
586.12885	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	585.0886
Annotation	Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
52.59315	0.3
53.86996	0.3
57.03460	0.4
58.02562	0.4
59.01384	1.9
61.98833	2.5
62.06664	0.4
63.02390	2.4
65.00327	4.7
67.71917	0.3
68.10310	0.4
71.01379	1.2
71.56497	0.5
74.63749	0.4
81.03437	0.5
83.01386	2.9
88.98798	1.0
89.02424	0.6
89.95567	0.4
93.03468	1.7
95.01393	0.8
96.96013	7.3
107.00716	0.7
107.01394	8.8
109.02950	3.5
109.33598	0.4
113.02410	0.7
119.01424	0.6
121.02960	9.4
123.00885	1.1
123.04482	0.8
124.01684	0.7
125.02446	6.2
137.02443	1.4
139.00371	0.4
139.03992	0.9
148.01649	0.6
149.02443	1.5
150.03226	0.4
151.00374	38.9
152.00687	0.9
159.04446	0.4
161.02411	0.5
163.00374	3.2
163.03966	0.8
164.01173	0.7
165.01923	4.5
165.05550	0.6
167.03558	0.3
168.00584	0.5
169.01421	7.7
170.01752	0.5
171.04515	0.3
178.99857	15.5
179.03456	1.6
180.00090	0.4
180.04308	2.0
183.02963	1.5
183.04439	0.6
185.06015	0.5
187.04001	0.7
193.01366	0.8
195.06602	2.8
201.05539	0.5
203.03500	0.7
210.05399	0.6
211.02315	0.7
211.04015	0.9
213.11696	0.4
217.33635	0.4
225.07635	1.9
227.03423	1.2
227.07109	0.7
229.05025	1.5
243.02933	0.4
245.04555	2.6
253.05057	0.6
255.02965	3.3
256.03726	0.6
257.04617	0.7
271.02237	0.5
271.06430	2.0
273.04041	2.8
283.02432	1.4
283.05103	0.5
301.03525	100.0
302.03815	6.2
313.05728	0.8
329.13742	0.7
423.07117	0.6
507.19775	0.4
522.20758	2.4
523.21814	4.4
537.21405	4.3
585.08484	6.7
585.23730	1.8
586.08466	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	585.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02048	6.3
85.02951	2.6
93.03463	7.0
106.81317	2.5
107.01372	7.4
111.04527	6.5
123.00867	3.5
125.02448	43.3
137.02475	5.3
155.03505	5.2
169.01408	100.0
173.04543	19.0
186.77254	2.7
191.05571	18.5
217.45789	2.9
325.05685	9.7
343.06638	18.1
381.64426	3.1
433.13434	4.1
495.07794	93.7
496.07843	7.6
557.91156	3.0
585.14429	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
57.03445	0.5
59.01377	2.0
61.98829	100.0
68.95068	0.2
69.03460	0.5
71.01386	1.0
73.02944	0.3
75.00864	0.4
78.95908	0.2
79.01891	0.3
81.03455	0.4
81.32178	0.2
85.02959	0.7
87.00858	0.2
89.02440	0.3
93.03474	0.4
93.91505	0.2
95.01403	0.3
96.96029	0.8
97.02963	0.3
101.02468	0.4
103.08105	0.2
107.01373	1.5
107.05052	0.3
113.02457	0.6
121.02987	0.3
123.00895	0.5
125.02443	15.8
126.02760	0.5
137.02441	0.7
138.02893	0.3
139.00447	0.3
140.01178	0.3
149.02637	0.2
150.03229	0.7
151.00316	0.4
161.02466	0.3
165.05638	0.4
167.03537	0.6
168.00636	0.3
169.01419	19.7
170.01781	0.5
177.01918	0.3
182.02011	0.2
191.03880	0.2
195.06610	0.4
196.06891	0.2
229.49561	0.3
271.04642	0.4
285.04071	0.5
286.04437	0.3
289.10834	0.3
289.45782	0.3
309.08258	0.3
415.14026	0.8
451.91638	0.2
521.20471	2.6
522.20636	0.3
538.96509	0.2
562.89349	0.2
584.24750	0.8
585.16339	1.6
585.27118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55779	0.2
57.03443	0.3
59.01388	2.2
61.98832	100.0
62.09112	0.2
63.34552	0.2
63.99275	0.4
69.18254	0.5
69.18658	1.9
70.90078	0.3
71.01394	1.1
72.99347	0.3
75.00878	0.3
79.95774	0.3
82.01603	0.2
83.01385	0.3
85.02949	0.5
86.13988	0.2
87.00893	0.3
88.98808	0.6
89.02430	0.3
95.01416	0.3
96.96021	1.6
97.02973	0.3
98.19822	0.4
98.79400	0.2
99.00892	0.4
99.53070	0.2
101.02475	0.4
101.29852	0.2
107.01443	0.6
109.02974	0.6
109.69015	0.2
111.00894	0.4
113.02464	0.8
118.71403	0.3
119.05137	0.2
120.64491	0.2
121.02979	0.4
123.00925	0.8
125.02455	3.2
126.02808	0.5
137.02457	0.6
139.00414	0.5
145.02972	0.3
149.02501	0.7
150.03241	0.6
151.00409	1.1
152.01231	0.3
153.01970	0.4
155.03522	0.2
161.02477	0.5
163.04146	0.3
165.01945	1.2
165.05611	0.4
166.02341	0.6
167.03531	0.4
169.01436	3.5
170.01801	0.6
177.02020	0.6
179.03481	0.5
189.81042	0.3
195.06625	0.3
211.02521	0.5
223.06143	0.4
271.06259	0.4
272.06561	0.7
286.04446	0.4
301.98383	0.3
313.05704	0.3
317.03043	0.4
359.14798	0.2
373.26041	1.0
393.41354	0.3
433.09641	0.3
464.09369	0.4
505.30490	0.6
521.20441	3.1
522.20966	0.3
584.14203	0.8
584.24402	1.1
585.06195	0.5
585.25739	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	584.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.1
59.01376	8.1
61.98828	27.7
63.02412	1.3
65.00332	2.7
68.99806	1.2
70.60464	0.9
71.01378	4.1
72.99289	1.4
73.02946	2.5
75.00867	1.5
79.95737	1.1
83.01384	3.5
84.62437	0.9
85.02957	3.8
87.00883	1.1
88.98803	2.4
89.02441	1.4
95.01399	1.1
96.95370	1.2
96.96009	23.9
96.96600	1.9
97.02972	1.2
99.00851	1.2
101.02452	2.1
107.01373	7.0
109.02939	1.5
110.78735	0.9
111.00875	2.7
113.02455	2.7
116.92899	1.8
119.04964	2.1
121.02972	5.1
123.00903	9.9
124.01636	0.9
125.02448	24.9
126.02786	1.2
136.98788	2.2
137.02472	1.3
139.00366	4.3
140.01151	3.0
141.01936	1.4
149.02435	1.4
150.03180	1.8
151.00380	26.2
152.01216	0.9
153.01872	1.0
161.02399	1.7
163.00380	1.5
165.01920	3.5
165.05568	1.1
167.03438	1.4
167.20413	1.0
168.00659	4.8
169.01430	36.1
175.04047	0.9
177.01913	1.9
178.99863	7.3
179.03476	1.3
180.04364	1.4
181.05045	1.5
183.03008	5.2
195.06566	1.9
200.91754	1.0
207.13921	1.7
211.02425	3.2
229.05119	1.0
255.02960	1.6
271.04630	3.5
273.03952	1.5
288.08801	2.5
301.03531	45.7
313.05719	6.2
389.17218	0.8
433.11530	3.9
521.20276	100.0
522.20709	7.9
537.21423	2.4
549.23535	1.5
584.23956	3.5
585.09045	2.8
585.24493	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	584.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39558	1.2
57.15207	1.1
59.01374	6.4
61.98827	13.9
69.42165	3.5
69.42579	7.1
71.01378	4.2
71.56693	1.3
85.02959	1.6
89.02441	2.2
96.22625	1.4
96.38838	1.3
96.96019	2.0
107.01386	5.9
107.05042	1.5
111.00861	3.1
113.02443	1.6
121.02968	1.9
121.85172	1.4
123.00921	7.6
124.01634	1.3
125.02453	37.7
126.02781	1.6
127.00414	1.2
137.02470	1.5
139.00346	4.3
140.01138	3.9
151.00352	5.6
153.01933	1.6
154.05495	1.2
168.00655	11.1
169.01424	54.0
170.01714	1.8
193.01427	1.5
211.02472	50.7
212.02785	1.3
227.07115	4.9
241.03616	1.3
253.05144	2.2
268.85107	1.3
271.04584	55.9
272.04950	3.6
285.03995	2.2
286.04361	1.6
300.02637	3.5
301.03180	6.7
302.03751	3.9
313.05646	3.7
331.06616	9.0
521.20300	100.0
522.20325	11.1
541.13141	7.5
584.10577	9.3
584.60150	1.4
585.12268	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	584.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07199	1.8
54.08738	1.6
57.03439	4.5
58.54656	1.7
59.01382	13.2
61.98828	46.5
67.01873	2.5
71.01393	9.6
71.55076	3.8
72.99323	2.3
78.54086	2.0
83.01382	4.7
85.02966	5.3
87.00862	2.3
88.89832	1.9
88.98814	3.5
96.96004	12.6
99.00814	2.6
101.02450	3.0
105.46935	1.8
106.54152	1.5
107.01389	18.8
111.00873	4.4
113.02471	4.3
119.05026	14.1
121.02982	2.0
121.68314	1.9
123.00878	14.1
124.01678	2.6
125.02449	94.5
136.98772	2.8
137.02422	3.2
139.00363	5.3
139.03957	2.8
139.72443	1.7
140.01170	4.3
145.03044	2.2
149.02461	2.5
150.03189	5.8
151.00369	28.5
151.03976	5.0
165.01883	5.0
165.05553	6.7
167.03502	5.3
168.00629	17.1
169.01422	100.0
170.01768	2.4
177.01875	6.1
187.04099	1.9
193.01489	3.1
195.06548	3.1
209.59581	1.9
211.02461	66.3
212.02614	2.4
227.07106	1.8
271.04468	82.1
272.04858	2.7
301.03577	2.3
313.05615	35.7
331.06705	16.4
354.93814	1.8
433.11826	2.3
439.08722	32.0
491.07916	2.1
521.20313	98.6
522.20660	9.7
584.24066	5.8
585.12512	64.4
585.25775	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39842	0.5
61.98833	1.7
71.01381	5.8
72.99316	0.8
73.02962	1.4
78.98592	4.9
79.95736	7.8
80.96516	52.8
81.03463	0.6
85.02958	2.9
87.00880	2.3
91.37444	0.5
94.98086	12.4
96.96010	1.0
97.02928	1.4
98.19869	2.3
101.02434	1.3
104.30910	0.5
106.98080	2.4
107.91113	0.5
117.01492	0.8
122.97581	2.1
125.02499	2.9
127.04073	0.9
129.05865	0.7
134.97559	4.5
136.99109	0.9
148.99132	4.8
152.98618	5.9
164.98628	10.6
190.36034	0.6
199.85046	0.6
206.99660	2.1
225.00725	11.8
283.26447	2.5
299.04550	2.8
354.28629	0.6
356.00168	0.6
473.75018	0.6
583.31549	100.0
584.31897	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	583.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29400	0.5
52.26255	0.6
57.83190	0.6
59.01378	5.8
61.98831	51.5
65.00336	0.5
67.32354	0.5
70.15521	0.5
71.01384	1.3
73.02956	1.0
75.00900	0.7
83.01402	0.8
85.02966	1.2
89.02445	1.2
93.03461	3.9
95.01405	0.9
96.96029	2.0
98.20646	1.5
101.02453	1.3
107.01392	1.2
109.02944	1.5
111.00893	0.7
113.02502	0.8
116.92882	0.9
119.05035	0.6
121.02976	5.6
122.03747	13.7
123.00902	1.9
123.04529	0.6
124.01651	1.3
125.02461	10.1
133.02917	1.0
134.03676	0.8
135.04466	0.9
136.01653	7.3
137.02515	2.7
139.04114	0.9
140.01170	0.7
149.02435	18.7
150.03226	87.9
151.00351	2.7
151.04004	6.5
152.01143	0.7
154.07506	0.6
161.02512	1.3
163.03998	1.0
164.04791	3.6
165.05568	100.0
166.02731	4.6
166.05914	2.4
167.03465	1.6
168.00697	0.7
169.01414	9.6
175.03983	1.3
180.04268	6.1
181.05043	6.1
190.06343	1.2
195.06619	65.1
196.06943	1.9
211.02429	1.7
221.08165	1.1
229.04927	0.6
271.04565	2.8
285.04050	4.3
316.02237	0.6
357.09595	1.7
357.13379	7.5
358.13800	0.6
372.11932	0.7
373.12515	0.7
387.14462	13.9
388.14655	0.9
421.29568	0.7
468.31372	0.6
521.20123	3.2
535.19922	4.5
581.90698	0.6
582.73883	1.9
583.13873	1.9
583.22308	1.8
583.27240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45774	0.4
51.12502	0.4
51.29888	0.4
54.77106	0.4
57.03454	0.8
59.01378	5.8
61.98829	73.7
62.98527	0.6
63.99257	0.4
67.01862	0.4
69.03470	0.5
71.01033	0.4
71.01372	2.5
71.44396	0.7
73.02943	1.1
75.00864	1.1
83.01389	0.7
85.02958	1.2
87.00868	0.4
89.02480	0.7
93.03461	4.4
95.01394	0.8
96.95989	2.8
97.02940	0.5
101.02460	1.3
105.03462	0.9
107.01418	1.0
108.02179	0.4
109.02950	1.5
113.02455	1.9
115.92120	0.4
119.03494	0.7
121.02943	6.2
122.03741	12.1
123.00880	1.7
123.04520	1.2
124.01673	1.0
124.19305	0.4
125.02447	14.8
133.02936	1.6
134.03722	1.1
135.04532	0.8
136.01653	5.6
137.02458	3.5
139.00359	0.7
139.04007	1.0
140.01134	0.7
145.02895	0.5
147.04504	0.7
149.02443	18.0
150.03218	88.8
151.00389	2.9
151.04018	8.7
152.01210	0.5
158.73680	0.5
161.02422	0.9
161.06036	0.6
163.04094	0.6
164.04803	3.1
165.05559	100.0
166.02696	4.0
166.05914	2.9
167.03474	1.7
168.00609	1.0
169.01419	17.3
170.01913	0.8
172.53827	0.5
175.04027	0.9
177.01927	0.7
177.05592	0.5
180.04263	6.6
181.05038	5.5
189.05544	0.9
190.06305	1.3
191.07222	0.4
195.06612	64.3
196.06938	2.3
211.02466	1.3
221.08186	1.3
229.04947	0.7
257.04642	0.7
271.04660	1.2
285.04031	4.9
309.07782	0.4
311.09042	0.5
327.08746	0.5
329.10382	0.9
342.10953	1.3
357.09601	1.8
357.13455	7.4
369.13306	0.7
372.12091	1.3
373.12753	0.5
387.14459	11.8
388.14398	0.7
399.17267	0.5
412.00095	0.5
505.18686	1.1
521.20026	2.0
535.19611	3.9
539.27966	0.9
577.48743	0.4
582.74170	1.6
583.14606	1.7
583.26056	4.5
603.41028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24360	0.2
57.03449	1.8
59.01374	1.1
61.98831	44.9
62.98535	0.2
67.01888	0.4
68.99809	0.3
69.03458	1.8
71.01366	0.3
79.01900	0.7
81.03461	0.7
82.79934	0.2
83.01365	1.0
87.04519	0.8
95.01396	0.4
96.96015	0.5
97.02959	1.6
107.01383	2.4
109.02958	0.3
111.00923	0.3
123.00930	0.4
124.01659	0.7
125.02448	68.7
126.02787	1.6
137.02461	1.0
147.04543	0.3
150.03227	0.6
150.85995	0.2
151.03978	0.4
157.02905	0.3
161.09784	0.2
163.00298	0.2
165.01855	0.5
165.05568	0.5
167.03482	0.6
168.00594	0.3
169.01424	100.0
170.01762	2.6
173.02318	0.3
175.03995	0.3
180.92775	0.2
195.06593	0.3
197.05779	0.2
211.02388	0.2
234.65788	0.2
244.03734	0.9
285.04059	1.0
287.09137	1.4
301.03549	0.6
309.11032	0.2
381.09607	0.6
387.14630	0.3
399.10846	1.4
413.12408	0.7
431.13116	0.4
453.98630	0.2
523.27289	0.2
565.13599	0.3
583.14606	2.0
583.27075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21137	0.7
59.01383	8.6
61.98817	1.2
67.01880	1.2
68.99823	0.7
69.03450	2.1
71.01384	6.6
71.05007	1.0
71.35439	0.8
71.53809	1.1
72.99307	1.4
73.02921	1.5
74.72925	0.6
79.01901	0.8
83.01378	1.6
85.02946	3.9
87.00873	2.0
89.02433	3.4
95.01379	1.9
96.95989	2.6
97.02931	1.5
101.02447	5.3
105.01983	0.7
107.01387	7.4
111.00895	3.4
112.45831	0.8
113.02441	3.3
117.05595	2.0
119.03487	2.5
119.05016	2.2
123.00879	7.6
124.01656	2.1
124.47433	0.6
125.02448	59.5
126.02821	1.6
127.00352	0.9
128.69421	0.6
134.03671	0.7
136.98819	1.1
137.02426	2.5
139.00395	4.8
140.01141	2.7
143.03528	1.4
150.03192	1.0
151.00372	5.8
151.03979	1.1
153.01959	0.8
155.03479	0.8
161.02434	0.9
161.33041	0.7
163.03996	2.8
163.42650	0.7
165.01900	0.9
165.05577	1.7
166.99712	0.9
167.03436	1.7
168.00659	5.7
169.01422	71.3
170.01721	2.2
173.04512	0.8
181.05014	1.0
183.02765	0.7
193.01427	1.1
194.05510	0.7
195.06580	2.1
211.02504	8.3
218.04828	0.8
220.77162	0.8
221.04515	0.7
239.88077	0.8
253.03552	1.7
256.49899	0.9
269.04584	1.2
271.04584	8.4
279.10837	1.9
295.04608	1.2
298.38861	0.7
313.05643	10.3
313.11536	0.8
314.05536	0.7
326.06229	0.7
391.13681	0.7
421.18665	4.0
423.05573	1.1
431.11893	19.1
465.06741	10.2
466.06531	0.8
483.07855	2.4
520.11792	2.6
525.09485	0.9
583.12903	100.0
584.13257	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	583.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06477	0.6
57.21606	0.7
59.01374	6.9
61.98807	0.8
65.00356	0.8
67.01886	1.1
69.03450	1.1
69.16864	4.5
69.17287	3.1
69.56331	0.6
71.01385	6.2
72.99319	0.7
83.01379	1.3
84.53540	0.7
85.02933	2.3
87.00851	1.8
89.02438	4.9
95.01364	2.3
96.95982	1.8
97.02952	2.0
99.00877	1.1
99.04475	1.0
101.02439	4.0
107.01402	5.9
110.87091	0.7
111.00877	2.2
113.02428	2.9
117.05558	2.1
119.03467	2.3
119.05020	2.3
123.00868	6.6
124.01632	1.6
125.02449	44.2
126.02753	1.0
136.98792	1.0
137.02441	1.0
139.00371	4.0
140.01169	3.8
141.01932	0.8
151.00392	5.4
153.01984	1.1
161.11533	0.6
163.03961	1.6
168.00668	4.9
169.01425	56.1
170.01721	1.3
183.28758	0.6
189.37022	0.7
193.01401	1.1
211.02487	9.9
253.03447	0.8
271.04581	9.6
279.10730	1.4
300.15582	0.7
307.88229	0.8
310.83121	0.7
313.05646	3.5
318.02667	0.8
331.07019	0.9
413.10754	1.3
431.11758	25.6
432.12100	1.6
483.07809	2.2
531.53088	0.7
562.64343	0.9
583.12982	100.0
584.13336	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	583.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84620	0.7
57.03417	0.9
58.84361	0.6
59.01152	0.5
59.01387	5.9
60.59355	0.7
61.98813	1.6
65.45818	0.7
66.74593	0.6
67.01902	0.6
69.03445	1.5
71.01380	5.6
71.56099	0.7
72.99299	1.6
73.02936	1.1
74.36534	0.8
75.00859	1.0
79.01858	0.6
81.03449	0.8
83.01360	2.0
85.02937	3.2
87.00860	1.5
89.02421	1.5
95.01368	2.7
96.95990	2.6
97.02925	1.3
101.02421	2.8
107.00706	1.1
107.01392	14.7
109.02966	1.0
111.00890	3.4
113.02451	3.6
122.78909	0.6
123.00902	9.8
124.01659	4.6
125.02450	54.8
126.02756	1.6
127.00323	0.8
136.98817	1.6
137.02428	1.1
139.00362	5.6
140.01164	4.8
141.01892	1.5
151.00359	7.9
165.01758	1.1
165.05605	0.9
167.03430	1.8
168.00674	9.5
169.01431	75.5
170.01721	1.8
181.05122	1.1
183.02910	2.3
193.01352	1.6
201.11348	0.8
211.02472	22.3
212.02722	0.9
214.24200	0.8
225.04001	0.8
241.03442	1.1
271.01843	1.2
271.04590	20.7
272.04929	1.2
313.05685	3.8
331.06708	1.8
403.10175	1.1
423.05524	2.5
431.11664	23.0
432.12231	1.8
451.17853	1.0
455.10083	0.9
483.07739	4.4
503.21283	0.9
583.12897	100.0
584.13232	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	583.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42850	0.1
58.16216	0.1
59.01381	0.2
61.98832	5.8
63.02399	0.7
65.00325	0.3
70.00306	0.2
70.00671	0.5
71.01385	0.2
83.01385	0.4
91.01889	0.5
93.03456	2.4
95.01366	0.2
98.20520	0.2
107.01395	2.3
109.02953	0.8
117.03456	0.6
119.01385	0.3
119.02647	0.2
121.02916	0.2
123.00882	0.5
124.01724	0.2
125.02441	0.8
130.04268	0.3
131.05014	0.4
135.00890	1.6
137.02454	0.6
139.00383	0.1
141.07104	0.3
143.05019	1.8
145.02968	0.5
145.06573	0.2
151.00352	1.6
153.01971	0.3
154.04269	0.4
155.05057	0.5
156.05812	0.3
157.06599	1.4
158.03761	0.3
159.04512	1.9
160.04774	0.2
161.02420	0.2
161.06064	0.2
163.00366	2.6
164.01149	0.3
165.01938	0.5
167.05005	0.7
168.05690	0.2
169.01453	1.3
169.06616	1.0
171.04532	0.9
173.02466	0.2
173.06068	0.4
174.03134	0.2
178.99881	0.2
182.03761	0.2
183.04512	0.5
184.05324	0.3
185.06094	3.0
185.07719	0.2
186.03214	0.1
186.06371	0.1
187.04010	4.4
188.04344	0.3
189.05598	1.3
190.99901	0.1
192.00676	0.2
195.04553	0.8
196.05197	0.4
197.06123	1.4
198.03253	0.5
199.04007	1.1
201.05614	0.9
202.97430	0.1
211.04007	2.5
212.04662	0.3
213.05566	2.7
214.02750	0.5
214.05759	0.1
215.03505	0.4
223.03986	0.4
224.04846	0.2
226.02682	0.2
227.03519	2.9
228.04044	0.3
229.05061	14.2
230.05377	0.6
239.03513	1.8
240.04311	1.0
241.05063	1.5
243.02962	0.5
255.03024	0.8
256.03726	0.9
257.04553	7.6
258.04858	0.5
267.03049	1.2
271.02505	0.7
284.03299	0.1
285.04044	100.0
286.04376	5.2
287.01971	0.4
297.06146	2.8
298.06625	0.3
316.02249	1.6
317.02991	0.6
351.98383	0.1
462.90823	0.1
464.37256	0.1
583.10895	2.0
584.10907	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07614	0.5
53.50348	0.5
53.71397	0.5
59.01366	0.8
61.98829	13.1
63.02405	1.0
65.00323	0.7
71.01385	1.0
83.01406	0.9
85.02989	0.7
93.03463	2.4
97.25647	0.4
99.56084	0.5
107.01387	2.8
109.02950	1.2
111.00890	0.9
123.00925	1.5
124.01696	1.0
125.02440	16.4
135.00890	1.3
137.02390	0.8
139.00394	1.1
140.01131	1.8
143.04996	1.2
145.02945	0.9
147.06354	0.6
151.00388	3.7
157.06609	1.2
159.04527	1.5
161.02382	0.5
163.00371	1.9
165.05586	1.1
168.00693	2.7
169.01425	27.2
169.06552	1.1
170.01784	0.6
171.04562	1.1
183.04541	0.7
185.06097	3.0
187.03983	4.4
189.05611	1.3
195.04427	0.9
197.06152	1.1
199.03999	1.2
201.05656	0.8
209.04416	0.5
211.04018	2.0
213.05550	2.4
214.02754	0.6
219.64926	0.5
227.03485	2.7
229.05042	12.0
230.05325	0.7
239.03389	1.4
240.04321	0.7
241.04990	1.3
255.02971	1.4
256.03598	1.0
257.04520	6.8
267.03009	0.7
284.03015	1.0
285.04034	100.0
286.04358	7.0
288.84283	0.5
297.06146	19.2
298.06595	1.5
330.25037	0.5
524.45618	0.5
583.10828	18.9
584.10962	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	583.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.4
59.01387	2.3
61.98831	6.1
61.99107	0.4
63.02416	0.4
64.23636	0.4
65.00344	1.1
69.30724	0.4
69.31033	3.5
71.01406	1.4
73.02979	0.5
75.00884	0.8
75.48243	0.4
75.51939	0.4
83.01400	1.0
85.02971	1.1
87.28310	0.3
88.98857	0.6
89.02482	0.4
93.03491	0.8
95.01438	0.6
96.96010	1.9
98.20650	0.9
101.02476	0.8
105.72123	0.4
107.01399	3.0
108.02212	0.9
109.02985	1.7
111.00854	0.8
113.02493	1.2
119.05054	0.5
121.02981	0.6
123.00894	1.2
123.04537	0.6
124.01653	3.0
125.02435	5.4
135.00926	1.0
135.94225	0.3
136.01688	0.6
137.02438	3.1
148.01704	0.5
151.00366	7.6
152.01151	2.0
153.01883	1.2
161.02448	0.7
163.00377	1.4
164.01204	2.5
165.01921	3.5
168.00615	0.5
169.01421	5.5
177.01888	0.5
178.99875	7.5
179.03505	0.5
189.01952	0.6
193.01413	0.5
199.04042	0.5
203.03500	1.4
204.04317	0.6
207.03009	0.5
211.02469	1.5
213.01962	0.4
214.02725	7.4
215.03416	1.7
219.02948	0.4
227.03496	1.8
231.02850	0.6
232.03770	0.9
241.01161	0.4
242.02187	5.2
243.02930	4.7
244.03513	0.6
259.02457	8.2
270.01666	8.8
271.02441	45.3
271.05148	1.7
272.02881	2.0
287.01978	26.7
287.05240	1.0
288.02570	3.2
297.06128	1.0
301.03482	0.9
315.01395	0.9
316.02225	100.0
317.02863	17.6
318.03366	0.7
402.41794	0.4
431.10144	0.8
461.06989	0.5
521.20300	3.9
583.10834	63.2
583.23291	2.1
584.11212	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57804	0.2
59.01381	1.6
61.98831	100.0
63.90290	0.2
69.03471	0.3
71.01389	0.9
72.99294	0.2
73.02945	0.4
75.00877	0.5
77.92565	0.2
78.95900	0.3
82.82433	0.2
83.01414	0.3
85.02962	0.6
87.00870	0.4
88.98821	0.2
89.02419	0.3
90.98583	0.6
93.03464	0.3
95.01417	0.5
96.96029	1.7
97.02917	0.3
98.19843	0.4
101.02451	0.5
107.01406	0.7
109.02961	0.3
111.00869	0.4
113.02455	0.5
114.02728	0.2
121.02972	0.5
123.00909	0.4
125.02457	5.5
126.02761	0.3
135.04529	0.5
136.98830	0.2
137.02455	0.7
139.00414	0.4
140.01128	0.2
151.00366	0.8
152.98553	0.2
161.02405	0.3
162.03070	0.2
163.00412	0.3
165.65013	0.2
167.03558	0.2
168.00642	0.6
169.01434	6.6
170.01765	0.6
178.99895	0.5
179.03557	0.4
185.06113	0.3
187.03990	0.4
211.04111	0.2
213.05582	0.5
229.05064	1.0
255.03085	0.3
257.04602	0.6
271.02380	0.4
285.04059	9.4
297.06128	1.5
300.02722	0.5
301.03729	0.4
317.03104	0.4
495.20786	0.3
522.30542	0.2
582.25653	0.9
583.10870	2.3
583.24005	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58547	0.2
59.01388	0.5
61.98831	100.0
71.53168	0.2
78.95924	0.7
82.96084	0.3
98.32039	0.1
113.07401	0.1
113.20645	0.2
125.02462	0.5
137.02435	0.3
141.83876	0.2
152.99606	0.5
169.01466	0.2
220.13606	0.2
279.23221	1.7
280.23773	0.7
281.23849	0.3
282.24371	0.2
297.38916	0.2
504.31052	1.1
507.31982	0.4
581.26886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53691	20.1
61.98818	22.5
62.91037	18.3
69.69887	100.0
74.22292	20.7
80.25850	22.0
98.20630	24.6
106.77959	18.5
134.38783	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80635	0.1
57.03451	0.2
59.01379	0.9
61.98829	100.0
62.98515	0.2
63.99243	0.2
70.68269	0.5
71.01397	0.3
73.12185	0.2
73.91513	0.1
75.00875	0.2
76.01875	0.1
80.98912	0.1
81.03477	0.3
85.02971	0.3
87.04523	0.5
93.03439	0.1
95.05029	0.1
96.96004	1.3
99.00834	0.2
101.02452	0.3
106.00441	0.1
107.01421	0.4
113.02456	0.4
115.05232	0.1
122.03777	0.2
123.00846	0.1
123.04543	0.3
124.01709	0.2
125.02449	6.9
137.02467	0.3
139.00476	0.2
139.07619	0.1
143.75996	0.1
150.03232	0.7
151.00516	0.2
165.05576	1.0
167.03590	0.6
169.01424	9.3
170.01758	0.2
195.06592	0.7
211.02522	0.2
244.03761	0.1
273.07748	0.2
274.08099	0.4
285.04065	0.8
290.97205	0.1
333.62827	0.1
372.77673	0.1
399.10858	0.2
420.17612	0.3
509.89209	0.2
535.19891	0.2
542.80432	0.2
582.26355	0.3
583.26538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51457	0.5
59.01363	0.6
63.96249	1.0
67.86250	0.5
69.03461	0.8
71.01043	0.8
71.01385	7.6
73.02940	1.1
78.98595	4.9
79.95735	9.8
80.96513	65.9
81.03431	1.0
85.02940	2.6
87.00862	2.4
94.98080	15.8
96.96011	1.3
97.02934	1.2
101.02439	2.9
106.98084	3.7
122.97572	4.7
125.02402	2.6
127.03906	0.8
134.97592	4.5
135.83807	0.6
136.99117	2.0
137.11142	0.6
148.99138	5.1
152.98637	5.0
153.43327	0.6
164.98627	10.6
182.99677	1.4
189.04787	0.6
206.99625	2.3
225.00729	14.6
243.01735	0.6
277.03091	0.6
281.24869	2.9
299.04391	2.4
581.29956	100.0
582.30261	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48310	0.2
59.01378	0.3
61.98830	100.0
77.00439	0.2
78.95918	0.8
80.96449	0.2
82.48486	0.2
95.01386	0.2
125.02445	1.7
137.02458	0.8
152.99680	0.3
167.03619	0.3
169.01434	1.1
205.81361	0.2
211.13336	0.3
243.34126	0.2
248.75751	0.2
277.21753	0.5
279.23282	1.5
280.23425	0.9
281.23862	0.3
282.24380	0.3
319.04718	0.2
498.95837	0.2
504.30948	1.5
506.32068	0.3
507.31967	0.6
567.26178	0.3
581.27869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35500	6.7
59.01379	46.9
61.98832	100.0
71.01383	19.4
85.02934	9.1
89.02466	12.2
96.95992	29.6
98.19854	15.1
101.02475	11.8
113.02451	9.6
123.00877	8.2
125.02489	32.5
167.03462	10.7
169.01399	36.9
188.69685	6.8
212.14122	6.6
253.09387	36.3
291.19577	38.4
309.20612	75.5
419.21213	9.0
569.28345	7.6
581.26727	79.2
582.26770	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	581.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	31.2
61.98835	100.0
68.74318	9.8
69.17934	22.1
69.18353	79.0
70.71518	8.8
71.01361	20.1
83.86414	10.9
88.41454	10.3
96.95990	23.7
100.90820	10.1
105.89360	9.3
113.02471	17.3
118.23977	9.5
121.38049	11.0
125.02453	28.5
135.69627	9.7
169.01434	28.9
197.11827	20.9
253.09238	28.0
291.19693	12.7
309.20615	43.9
478.84869	10.7
581.26959	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13313	6.1
59.01377	34.2
61.98825	43.3
65.91795	6.6
70.66892	19.6
71.01373	12.1
79.95741	6.4
96.96016	16.3
97.94774	6.3
113.02460	8.4
125.02432	23.4
169.01425	14.3
210.42319	7.7
229.79793	7.0
253.09312	16.9
270.13159	7.4
291.19623	17.5
309.20743	100.0
360.55429	7.0
545.29462	53.5
581.27032	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	7.9
59.01379	100.0
61.98827	21.3
62.54628	5.3
66.23267	4.6
67.28843	4.6
69.50431	18.0
69.50855	21.2
71.01382	53.7
72.99306	21.2
73.02950	14.9
75.00890	8.7
83.01381	6.9
85.02954	41.2
87.00875	19.7
89.02453	60.6
95.01391	6.8
96.95979	33.3
98.20749	5.4
98.95572	7.1
99.00879	8.2
101.02438	30.6
107.01389	10.5
111.00887	21.0
113.02454	36.2
119.03517	19.3
119.04981	7.6
123.00849	9.8
124.01663	6.2
125.02441	80.2
139.00383	8.3
140.01140	5.4
148.04018	13.0
151.00357	8.0
153.40688	5.9
160.04065	5.4
165.01839	7.4
167.03583	7.4
168.00551	10.8
169.01433	76.7
177.01900	10.7
179.05615	11.8
189.04115	8.4
211.02477	38.1
216.11060	5.8
250.43658	5.2
271.04581	61.6
283.09763	15.9
300.02747	6.7
311.09229	27.5
321.08743	7.8
326.11624	20.3
331.06635	10.6
339.09906	7.4
341.13910	31.4
389.25369	13.5
390.25549	6.7
391.26904	20.4
429.13889	12.7
519.18756	28.7
521.32928	9.7
539.34143	6.3
550.14276	17.1
581.14490	55.6
581.30463	18.5
582.17212	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	581.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75035	0.9
59.01362	2.4
61.98804	0.8
68.54961	0.9
69.40129	5.1
71.01361	2.1
77.66424	0.8
79.01918	0.8
85.02948	1.9
87.00872	1.1
87.29183	0.9
88.98725	0.8
97.02961	1.0
98.20286	3.8
101.02435	1.2
107.01354	2.7
111.00867	1.1
113.02447	1.7
123.00856	4.9
124.01624	2.5
125.02454	22.9
126.02763	1.3
137.02461	1.1
139.00363	1.9
139.03973	2.1
140.01126	1.3
151.00336	4.0
160.04013	0.9
166.99815	0.9
168.00659	4.0
168.99986	1.4
169.01430	27.9
174.03181	1.0
175.03996	1.5
177.01971	4.7
192.06635	2.2
211.02461	1.2
221.08243	2.2
236.05597	3.0
253.03432	1.0
269.08249	1.1
271.04575	1.6
298.04755	0.9
311.05435	1.2
312.06400	1.0
313.07468	4.2
315.08841	1.1
327.08679	5.4
329.06534	3.0
329.10129	1.7
343.07898	3.3
343.11783	1.4
344.09027	7.6
358.10568	14.1
359.11319	27.1
360.11588	2.0
373.12943	31.7
374.13217	2.8
385.11212	3.6
389.12350	13.0
390.12701	1.5
393.23715	0.8
404.14746	16.8
405.14926	1.0
411.09219	1.1
419.17117	100.0
420.17502	8.3
429.10312	7.4
491.07761	1.1
581.11261	32.1
582.12720	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	581.1821
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
54.21992	1.7
55.43178	1.6
59.01368	3.3
62.49573	1.9
68.81941	1.7
71.54795	2.7
72.49156	1.6
77.94839	1.7
78.47786	1.7
78.95902	100.0
80.96507	3.4
81.44569	1.6
96.45579	1.6
96.95985	2.2
96.96972	4.4
99.92596	13.4
100.93319	2.0
115.92072	38.8
116.92087	4.1
116.92855	31.0
117.92941	2.2
152.99593	25.2
155.95206	1.9
164.90395	2.1
171.00656	12.5
172.95462	5.3
178.88416	13.6
179.89206	36.3
180.89999	21.9
188.90466	1.9
194.87917	2.9
196.89478	44.9
204.90088	2.0
205.90727	4.0
235.91789	11.7
236.92616	29.8
237.93222	2.0
244.08797	1.8
245.04250	2.8
252.92148	3.4
261.67874	1.8
270.93121	1.9
275.25516	2.0
276.95731	3.3
278.93689	4.8
292.95300	2.2
310.96268	8.1
332.28094	2.3
333.26334	2.0
473.13925	6.9
490.14301	6.5
497.85989	2.2
533.16223	6.7
545.15979	7.8
563.16992	9.7
581.18195	80.9
581.28961	5.1
582.18329	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.1
61.45092	1.0
67.01862	1.0
69.03463	1.9
69.20604	3.4
69.21020	5.7
71.01376	5.8
72.99293	0.9
73.02927	1.3
75.00902	1.2
81.03452	1.7
83.01386	2.1
85.02958	2.9
87.00851	0.8
89.02409	2.1
89.41463	0.8
95.01396	2.5
97.02972	1.7
98.19926	2.2
98.67904	1.0
101.02446	3.8
107.01389	9.4
110.00070	1.2
110.06821	1.1
110.43343	0.9
111.00874	2.4
113.02441	3.3
115.04030	1.5
123.00888	9.7
124.01640	2.6
125.02447	54.9
125.59203	0.9
126.02756	2.0
136.98814	2.0
137.02469	1.3
139.00378	5.1
140.01138	4.4
141.01968	1.0
151.00404	8.9
153.01924	1.2
161.04611	1.0
165.05505	1.3
166.99744	1.5
168.00652	8.8
169.01434	63.0
170.01773	2.8
177.01877	1.5
179.03452	0.9
207.12315	1.0
211.02443	4.5
224.25035	1.0
225.93013	1.0
237.04066	1.1
240.79913	1.0
271.04581	2.7
313.05600	3.8
338.06976	1.2
381.78922	1.2
385.11322	10.6
411.09262	1.9
423.05850	1.4
429.10196	17.6
429.15320	1.1
483.07690	1.8
519.12244	1.0
581.11420	100.0
581.26392	2.7
582.11743	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	581.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
58.00618	1.1
59.01380	25.1
68.99787	1.0
69.48136	8.2
70.20596	1.2
71.01389	9.2
72.99279	2.6
73.02914	4.6
75.00877	2.3
81.03439	1.2
83.01393	2.4
85.02948	9.7
87.00854	3.0
89.02429	1.9
93.03423	1.5
93.18232	1.0
95.01356	3.0
96.95995	2.7
98.20618	1.5
99.00854	1.6
99.92089	1.1
99.92586	12.5
100.77808	1.3
101.02436	5.5
107.01356	3.3
111.00828	1.7
113.02448	7.7
116.92863	100.0
116.98277	2.3
117.92826	4.6
121.02882	2.3
122.03671	2.7
123.00813	4.5
125.02462	16.8
129.01894	2.0
133.02884	3.6
139.00311	2.5
139.11269	1.5
140.01123	1.3
149.01422	1.1
149.02438	12.3
150.02213	1.5
150.03232	19.2
151.00320	3.8
151.03926	1.3
152.01091	1.5
155.10704	3.1
161.04472	1.3
164.04729	3.5
165.04376	1.2
165.05574	18.6
166.06209	2.1
168.00613	2.0
169.00230	1.3
169.01431	16.9
175.07153	1.0
180.04108	1.2
181.08638	2.1
183.10110	2.0
189.03796	1.2
191.01927	2.0
195.06645	9.1
211.02425	1.1
227.12944	2.6
233.42003	1.2
243.02808	1.2
243.12328	5.7
269.13834	1.2
271.02200	2.8
271.04758	1.4
287.01810	2.8
287.14838	4.3
314.11475	2.3
316.02158	9.2
317.02838	2.5
325.12738	2.6
329.13657	3.3
391.15506	4.0
429.14044	13.2
449.16205	4.2
463.03860	1.0
463.08847	12.5
473.18179	21.6
491.19308	10.4
493.19177	2.0
517.39771	1.2
521.19958	1.5
533.20135	9.1
539.21118	1.4
545.00330	6.5
580.22552	1.9
581.14648	35.6
581.22839	5.8
582.15137	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	580.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10144	1.0
59.83088	1.0
61.98832	100.0
62.18461	1.1
63.28594	1.0
67.99112	1.0
71.00835	2.2
71.01365	3.6
78.98600	1.5
79.95740	3.1
80.74226	1.1
80.96519	26.5
85.02970	2.0
87.00867	1.4
94.98094	6.1
122.97611	1.7
134.97572	1.5
147.30254	1.0
148.99091	2.7
152.98610	2.8
162.01337	1.1
164.98586	4.9
188.49777	1.0
206.99768	1.2
225.00746	5.3
250.17310	1.1
299.04550	2.2
360.12830	1.3
507.22891	1.4
581.29993	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.01405	0.5
71.37343	0.4
79.95745	0.6
80.96523	3.7
94.22762	0.4
94.98076	0.6
139.96399	0.4
144.95387	0.5
148.99213	0.5
164.98640	0.6
225.00742	0.6
530.96448	0.5
581.29962	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	580.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46621	0.7
61.28781	0.7
61.98831	100.0
69.20827	8.1
78.63696	0.7
98.20606	1.5
126.27029	0.8
139.03317	0.9
149.60928	0.7
263.61862	0.8
325.65363	0.8
439.88446	0.8
524.51697	0.9
594.55164	0.9
609.87268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65871	0.4
59.01382	17.5
61.98578	0.5
61.98830	5.6
63.88589	0.5
63.99255	0.6
71.01374	1.5
71.43915	0.8
78.95902	21.0
78.98576	1.5
79.95728	2.2
80.96515	14.6
85.02915	0.7
85.04060	0.4
91.03973	0.5
94.98094	2.9
96.96028	0.6
101.58530	0.4
106.98127	0.7
112.98557	0.5
116.08090	0.5
116.92896	0.5
125.02427	0.5
127.04083	0.4
134.97585	1.2
148.99120	1.2
152.99651	3.3
164.15941	0.4
164.98589	1.4
168.04332	2.7
224.06914	7.0
225.00766	1.8
226.00801	0.6
242.07997	1.7
281.24847	100.0
282.25171	6.8
286.87503	0.5
299.04425	0.7
506.32495	67.2
507.32767	5.1
553.44781	0.5
580.28802	23.9
581.18518	1.0
581.28467	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	580.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13445	0.4
59.01383	13.9
61.98832	10.8
63.99247	1.0
68.13962	0.3
70.61414	0.4
71.01379	0.6
73.02964	0.4
78.95898	5.3
78.98606	0.4
79.95730	1.4
80.96517	7.3
92.13718	0.4
94.98092	1.7
97.57671	0.3
112.01049	0.3
138.68555	0.4
152.99646	1.0
164.98613	0.9
168.04303	1.4
224.06984	1.3
225.00742	1.2
229.65402	0.5
242.08023	1.7
281.24857	100.0
282.25229	5.7
460.01404	0.4
506.32504	27.1
507.32800	2.7
521.36151	0.4
580.28760	11.6
581.28735	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	580.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
68.33517	0.7
69.51274	0.6
71.01374	1.5
71.14064	0.7
78.83247	0.6
78.95919	0.9
78.98560	0.9
79.95732	1.8
80.96515	13.2
85.02953	1.0
94.98098	3.4
96.96001	0.8
101.88423	0.7
122.97681	0.8
143.53911	0.7
148.99194	1.2
152.98615	1.1
164.98672	3.1
225.00784	2.9
260.89993	0.6
296.74731	0.6
310.72903	0.6
460.66199	0.7
473.55383	0.8
581.29974	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29702	0.4
55.97857	0.5
59.01381	2.9
61.98829	100.0
63.46057	0.5
71.01374	1.0
71.54272	0.9
73.02957	0.5
75.00883	0.7
77.90743	0.6
85.02948	0.7
90.48254	0.4
96.96017	5.9
101.02451	0.7
106.55265	0.5
123.01010	0.6
123.69298	0.5
125.02449	3.9
137.02403	0.5
151.00409	0.7
169.01476	2.7
175.15479	0.4
195.86807	0.5
205.66948	0.5
209.08176	0.5
270.53506	0.4
456.61227	0.5
580.25586	0.8
581.26422	5.4
603.72052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01375	2.4
61.98828	100.0
69.03460	0.4
71.01376	0.8
71.55288	0.4
73.02951	0.5
78.95925	0.5
85.02937	0.7
87.00861	0.3
88.98802	0.4
95.58569	0.3
96.96020	2.3
99.04498	0.4
99.84580	0.3
101.02457	0.7
107.05070	0.4
108.02157	0.4
113.02505	0.3
115.52802	0.3
118.08411	0.3
123.00873	0.7
125.02427	3.9
137.02452	0.5
139.00336	0.3
145.02962	0.4
150.03296	0.3
151.00450	0.5
151.04091	0.3
167.03517	0.8
169.01414	2.5
177.01953	0.4
229.08717	0.9
273.07797	1.2
287.30817	0.3
349.34061	0.3
435.12891	0.7
520.32178	0.9
545.25452	1.0
580.24939	0.5
581.17188	0.5
581.25641	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	580.157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52670	0.8
51.94715	0.8
54.20590	0.8
54.46414	0.8
59.01126	1.0
59.01377	8.5
61.98820	1.7
69.31425	6.8
70.54287	0.8
71.01375	3.9
72.18713	0.8
72.99303	1.3
73.02960	2.3
78.03458	0.9
80.05060	7.4
85.02946	2.2
96.96036	1.3
97.02939	0.8
101.02393	1.4
104.05070	19.2
106.06629	17.5
108.08164	0.8
113.02448	2.4
120.04532	3.1
122.06114	5.8
124.03991	1.3
125.02481	4.0
130.06635	2.4
132.04590	5.2
134.06111	3.5
148.04050	100.0
149.04388	2.2
152.07159	3.4
158.02428	1.4
160.04031	8.1
160.07689	12.4
161.04779	2.6
166.05096	44.8
167.05350	2.1
169.01389	3.4
173.04619	0.9
174.05614	7.9
178.05092	7.0
187.06241	1.1
190.05067	3.4
192.03011	1.5
197.10808	1.3
199.12410	2.2
210.04041	5.6
210.07930	3.7
211.08682	3.3
223.08727	3.4
223.12354	2.8
224.09566	7.4
225.10316	14.5
234.04185	1.2
234.07932	3.0
235.08647	1.2
237.10349	3.2
239.08179	1.0
239.11870	7.0
249.10362	8.5
250.07423	4.9
251.08257	12.9
252.08853	2.6
255.16161	1.4
257.12830	1.0
265.09708	7.5
266.10400	1.1
267.11386	40.6
268.11606	3.3
281.09192	1.1
283.10797	2.2
293.09323	14.6
294.09802	1.2
299.10324	2.8
301.11984	2.4
311.10355	22.3
327.09839	10.7
345.10892	45.0
346.11346	4.1
353.11093	1.1
355.09457	5.3
380.14020	2.5
387.11951	3.5
389.25549	1.5
392.16339	4.0
398.15198	1.6
400.13110	1.2
414.14859	1.1
416.16461	2.2
418.14041	1.8
424.13086	1.1
442.13995	9.5
458.96124	0.9
460.15088	27.2
461.15598	2.4
468.11734	1.6
486.13092	31.5
487.13138	1.9
504.14124	86.1
505.14551	8.0
519.31586	2.2
520.32275	1.1
530.11652	5.0
536.16852	7.0
543.94879	1.0
548.13110	25.6
549.13586	3.4
562.14581	3.3
580.15698	32.7
580.24365	1.5
581.15814	2.6
581.23425	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
61.98830	100.0
71.07118	0.5
78.63433	0.2
78.95922	0.8
125.02473	0.3
146.50638	0.3
152.99641	0.3
277.21713	1.1
278.22153	0.6
279.22714	0.3
294.60150	0.2
502.29565	1.0
505.30273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77799	3.2
56.30666	3.6
57.03442	5.9
58.00605	3.7
59.01379	100.0
61.98529	5.5
61.98832	83.8
69.03464	4.5
71.01381	46.7
71.56325	5.1
72.99305	4.2
73.02940	13.1
75.00866	7.6
78.59068	3.1
80.54766	3.1
81.03440	3.8
83.01372	7.9
85.02966	29.2
87.00879	6.2
89.02444	25.3
95.01393	6.8
96.95995	12.5
99.00879	5.4
101.02451	27.9
107.69380	3.5
109.02931	3.6
113.02451	25.7
119.03510	11.0
121.83703	3.3
125.02451	29.1
130.36876	3.6
143.03481	4.7
145.02925	5.0
161.04533	6.2
165.12825	3.6
169.01419	21.5
177.01959	5.7
179.05574	8.1
209.11826	12.0
243.06558	13.6
249.05977	4.4
260.06754	3.6
286.29773	3.7
300.02600	3.7
329.23212	8.1
357.26547	24.6
375.06015	3.3
375.27420	9.3
417.62512	3.2
519.31635	79.6
520.31915	7.5
579.24359	18.1
579.33130	41.9
580.33875	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	579.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96062	0.7
59.01364	2.3
61.98820	1.2
63.96245	1.0
66.69664	0.6
69.68943	0.7
71.01373	8.1
72.99274	0.7
73.02934	1.6
75.59243	0.6
78.83653	0.7
78.95895	2.2
78.98584	6.0
79.95730	12.1
80.96516	73.5
85.02940	3.3
87.00876	3.4
89.02438	1.8
94.98082	15.2
96.96001	3.0
97.02927	1.4
98.20748	1.1
99.00861	0.7
101.02425	2.9
102.23592	0.6
106.98074	3.6
113.02457	1.4
122.97559	2.6
125.02433	2.9
134.97592	4.3
136.99149	1.6
138.12347	0.6
148.99153	7.4
152.98599	5.6
164.98619	13.8
206.99611	1.6
225.00732	13.7
255.23285	2.2
279.23456	1.7
299.04453	3.9
328.13116	0.6
371.12708	0.7
456.53015	0.7
579.28406	100.0
580.28699	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	579.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93629	0.2
59.01385	0.4
61.98832	100.0
71.53204	0.3
73.24381	0.2
74.55469	0.3
75.44185	0.2
75.83356	0.2
78.95918	0.8
79.79436	0.2
108.91103	0.2
152.99547	0.3
184.68184	0.2
195.06311	0.2
257.39133	0.2
277.21738	1.8
278.22137	0.6
279.22412	0.4
353.79865	0.2
502.29758	0.8
504.30542	0.3
505.30298	0.5
588.31317	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04453	6.8
54.41272	7.3
59.01372	11.5
61.40188	8.1
61.98831	100.0
64.11990	7.6
69.86814	38.0
73.20956	7.6
78.95904	8.7
80.62440	7.0
99.34795	7.1
100.49859	8.7
102.49048	7.6
119.07944	6.8
125.02457	14.4
134.08586	7.1
169.01405	10.4
238.09250	7.4
243.88290	7.9
253.09132	7.6
271.02472	14.3
300.02744	22.0
307.19077	9.1
468.63126	8.4
564.49561	8.1
579.13409	17.1
579.25775	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	579.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	38.9
61.98822	100.0
63.59442	27.7
68.17522	31.7
71.52470	29.7
78.95901	46.0
83.42641	29.4
85.54794	27.5
86.34095	28.0
86.65803	28.0
102.90685	27.3
125.02456	53.3
169.01450	63.5
204.09459	29.4
300.02786	36.3
307.19336	39.9
337.44080	36.2
521.25208	54.8
579.25311	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
58.02981	6.4
59.01383	4.5
68.65082	0.5
69.70037	0.6
70.02979	6.0
71.01376	2.5
72.00899	2.0
72.04543	1.1
74.02477	36.2
75.00866	1.0
75.02795	0.6
85.02949	1.7
87.00890	1.4
89.02442	1.0
96.96008	1.7
97.84977	0.6
98.02481	9.7
111.00860	0.8
113.02452	1.2
113.61537	0.6
115.00346	0.5
116.03554	8.4
116.05064	13.8
125.02435	1.7
126.02693	0.6
129.04688	0.6
130.06630	2.0
136.57600	0.6
137.02458	0.7
142.06639	3.3
153.09149	0.9
159.09311	3.0
169.01424	2.7
175.02475	1.8
183.09364	0.7
186.05667	1.0
193.01477	0.8
195.06757	0.7
201.10231	3.2
203.08267	37.6
204.08595	1.7
245.09309	100.0
246.09656	5.0
254.81424	0.7
267.07150	1.1
331.07047	0.6
441.08359	0.9
447.14999	1.7
579.21661	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30536	16.8
59.01379	40.0
61.98829	100.0
69.67023	64.3
74.30960	18.0
78.95900	30.1
96.65202	18.2
96.96053	24.9
98.20658	23.2
113.84496	24.4
121.92866	17.7
125.02475	56.8
129.31918	16.8
141.92728	17.7
153.16464	16.8
165.12802	19.3
169.01433	32.7
271.02481	23.3
279.20261	18.6
300.02792	28.5
307.19052	21.2
347.25803	25.6
411.07388	17.9
465.39490	17.3
562.30695	23.2
579.13525	26.4
579.25934	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77292	10.9
51.63458	11.7
59.01362	37.6
61.98824	100.0
71.01360	17.1
71.55309	19.5
82.71930	11.7
89.02445	13.1
90.23421	12.4
90.88544	12.0
96.66256	12.5
125.02420	18.4
132.30159	12.4
139.83391	16.2
144.30394	12.2
152.47562	12.7
165.12823	18.4
165.50443	11.4
169.01448	15.6
175.42447	13.2
209.11853	19.2
227.12859	25.8
241.35768	14.2
253.09262	16.7
271.02396	16.5
289.17990	47.3
300.02667	17.4
307.19095	50.3
353.50861	14.7
579.13971	22.6
579.25586	56.0
592.45770	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	579.1352
Annotation	Quercetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
50.89914	0.9
59.01376	5.6
65.00337	0.8
65.36364	1.0
70.94891	1.5
70.95221	1.1
71.01370	1.5
76.00128	1.0
79.63750	0.9
83.12225	0.9
85.02946	1.7
107.01392	2.1
108.02155	1.2
148.01694	1.3
151.00356	4.8
156.68814	0.9
163.00401	1.5
164.01080	1.1
169.35741	1.0
178.99806	3.8
218.20210	1.0
226.02670	2.1
227.03555	1.7
243.02962	11.5
254.02246	1.7
255.02980	26.2
256.03342	2.3
271.02472	61.3
272.02896	3.9
299.02072	1.9
300.02753	100.0
301.03308	8.7
360.44733	1.0
519.20837	1.2
535.20959	1.3
579.13556	88.1
580.13818	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	579.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.5
61.98832	0.2
63.02398	0.3
65.00309	0.7
71.01379	2.9
72.99295	0.7
73.01225	0.2
73.02939	0.4
75.78351	0.2
81.03469	0.2
83.01373	0.6
85.02959	3.0
87.00854	0.7
89.02422	0.8
93.03429	0.3
95.01366	0.8
99.00878	1.4
101.02441	0.3
103.00327	0.2
107.01389	1.3
108.02168	1.7
109.02900	0.3
113.02453	3.0
115.00310	0.2
117.01933	0.2
121.02940	0.8
125.02434	0.8
129.01932	0.2
135.00905	0.4
147.00928	0.2
148.01686	1.7
151.00356	4.3
163.00357	0.8
164.01132	0.7
169.01427	0.2
171.04510	0.3
175.02426	0.3
178.99857	3.7
183.04407	0.2
187.03935	0.3
190.99904	0.2
192.00636	0.5
195.06599	0.3
198.03218	0.5
199.03986	0.8
201.01936	0.2
207.13870	0.7
209.08281	0.3
209.11847	0.2
211.04016	0.7
215.03419	0.7
216.04361	0.4
225.14987	0.4
226.02748	1.7
227.03510	2.5
231.04970	0.5
243.02969	11.5
244.03424	0.8
249.06148	3.8
254.02150	1.9
255.02977	27.9
256.03397	1.7
267.07220	2.0
271.02466	60.6
272.02927	4.8
273.03842	0.2
299.01968	3.0
300.02744	100.0
301.03281	9.7
309.07962	1.1
405.15634	0.4
411.07236	0.3
429.08313	0.7
431.19516	0.3
447.09433	0.3
457.20605	1.1
475.08597	0.3
475.21921	5.4
476.22226	0.4
501.19537	0.4
519.20813	5.0
519.32373	0.3
520.21539	0.4
535.20709	0.2
579.13641	76.3
579.22839	7.7
580.13922	9.2
580.22565	0.5
592.39819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
70.03636	37.1
72.38750	8.7
73.01966	7.7
97.88293	8.8
163.11269	9.3
261.38947	7.8
339.23276	26.1
408.44839	9.5
431.79312	9.8
432.56525	9.2
515.35120	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	20.0
61.98826	2.2
63.96262	0.5
66.14984	0.5
71.01407	0.9
78.78983	0.6
78.95902	22.9
78.98599	0.7
79.84772	0.5
79.95736	3.1
80.96520	16.4
82.96082	1.1
83.31094	0.6
85.02940	1.0
87.00894	0.7
94.98077	3.6
106.98043	0.7
125.02477	0.8
134.64407	0.5
134.97534	0.7
138.67500	0.5
138.71602	0.5
148.99161	0.9
152.99586	2.1
163.02682	0.5
164.98625	2.4
168.04301	2.6
193.96123	0.6
206.99817	0.7
224.04877	0.7
224.06944	9.0
225.00830	2.7
226.01042	0.5
234.61627	0.5
242.07939	1.9
279.23285	100.0
280.23578	6.7
349.18204	0.6
441.62997	0.6
504.30945	58.5
505.31314	5.1
578.27209	27.4
579.26929	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	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92043	0.5
59.01381	22.1
61.98820	2.1
70.97520	1.2
71.01389	1.9
73.99239	0.4
78.95905	21.9
78.98580	1.0
79.95753	2.2
80.96520	16.2
82.26519	0.4
82.96114	1.0
85.02967	0.9
87.00869	0.6
94.98093	3.4
96.96990	0.6
106.98102	0.9
122.97650	0.7
122.98492	0.5
125.02431	0.9
134.97586	0.8
148.99168	0.4
152.98524	0.8
152.99597	2.6
164.98615	2.3
168.04352	3.5
176.02043	0.5
194.05978	0.5
206.99541	0.5
222.67931	0.6
224.06931	8.9
225.00710	2.6
226.00969	0.7
242.07779	2.1
261.22357	0.6
267.29138	0.5
279.23285	100.0
280.23575	6.4
299.04474	0.5
352.59116	0.5
357.42905	0.5
481.84940	0.5
504.30954	58.1
505.31232	5.6
578.27203	23.7
578.34979	0.5
579.26996	3.2
605.12561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.01388	5.7
78.98575	3.2
79.95734	5.6
80.37062	1.6
80.96517	40.1
85.02951	2.5
94.98094	10.0
94.98652	1.6
96.96002	2.1
98.19845	3.7
101.02419	2.6
122.97636	2.1
125.02406	2.8
148.99132	3.4
152.98627	3.3
164.98618	6.8
225.00734	10.9
228.03790	1.7
254.95795	2.0
267.22641	2.0
279.23248	3.0
579.28473	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
71.01387	1.7
71.23534	0.7
73.02969	0.6
78.98605	1.0
79.95750	1.9
80.96513	12.9
85.02956	0.6
94.98096	2.8
96.96027	0.6
99.00900	0.4
100.70351	0.4
101.02452	0.4
106.98090	0.6
120.63557	0.4
125.02446	0.6
125.51987	0.4
134.97592	1.2
148.99188	1.0
152.98660	1.1
164.98663	1.7
206.99594	0.5
225.00740	3.1
279.23328	0.9
370.63187	0.5
464.05365	0.4
579.28412	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.3
59.01383	2.9
61.98831	100.0
63.94597	0.2
69.22581	0.8
69.23003	1.9
71.01385	1.1
71.36996	0.2
73.02952	0.3
83.46609	0.3
85.02969	0.8
86.04230	0.2
89.02438	0.5
95.01419	0.3
96.96017	0.6
98.20587	0.6
98.84818	0.3
101.02432	0.4
101.47131	0.3
107.01441	0.3
109.03043	0.3
113.02464	0.5
119.03510	0.3
125.02467	2.5
126.02791	0.4
138.03239	0.3
143.87100	0.3
151.00420	0.3
155.03487	0.3
161.04602	0.4
169.01440	2.8
171.10306	0.3
173.04575	0.4
177.01904	0.4
240.09570	0.3
253.09392	0.6
293.24954	0.2
300.02850	0.4
341.23233	0.7
342.23627	0.8
357.26541	1.2
517.31116	0.3
518.30939	1.1
578.24780	0.7
579.24841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.6
61.98831	100.0
67.37291	0.6
71.01391	1.5
71.54137	0.7
83.01413	0.7
85.02959	1.1
87.00942	0.4
96.96014	1.1
97.02968	0.5
101.02447	1.4
113.02451	1.3
125.02448	3.3
161.04526	0.6
167.03535	0.6
169.01460	3.1
174.87996	0.4
177.01990	0.8
237.09790	0.6
251.41702	0.5
255.23454	0.5
289.18176	0.8
358.26959	1.0
397.85278	0.5
518.30707	1.1
572.70911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63570	1.0
52.42935	1.0
59.01384	9.7
61.98829	2.1
63.23816	1.0
71.01421	2.1
71.53284	1.7
72.25393	1.1
89.02445	2.4
89.41782	1.3
101.02459	3.5
103.90787	1.2
111.59739	1.1
119.68179	1.1
225.29706	1.2
253.09241	11.2
281.24850	100.0
282.25201	7.4
284.48013	1.1
340.50507	1.2
473.27316	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80902	1.1
59.01376	16.6
63.48954	1.4
70.09219	3.8
71.01395	1.6
85.70589	1.3
89.02447	3.0
101.02444	1.7
125.02408	1.3
125.73788	1.2
168.98857	1.3
235.08209	2.1
253.09320	13.3
270.29602	1.3
281.24847	100.0
282.25165	6.5
293.21097	1.6
299.04416	1.4
371.94162	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67682	0.8
55.01872	1.0
57.03442	2.5
58.96458	0.8
59.01378	26.7
61.98828	62.4
67.01875	1.4
68.52160	0.9
69.03439	3.2
69.17020	0.8
71.01382	11.3
72.18597	0.9
72.99293	1.3
73.02943	2.3
75.00848	0.9
80.75340	0.9
81.03442	1.9
82.22661	0.9
83.01382	1.9
83.05013	3.8
85.02951	6.2
87.00868	2.7
89.02446	6.5
93.03468	10.2
95.01392	1.8
96.96000	3.3
97.02949	1.1
97.06579	9.0
99.00898	1.4
99.04499	1.3
101.02454	9.9
107.01398	8.3
109.02927	1.0
111.00871	2.0
111.04506	7.7
113.02473	4.2
119.03497	2.0
123.00862	1.2
124.01680	1.4
125.02445	53.8
125.09730	2.1
126.02794	1.4
137.02437	5.0
137.09679	2.1
143.03528	1.4
155.03494	15.3
161.04544	3.3
163.04048	0.9
165.12773	1.0
166.23186	0.8
167.03473	1.1
168.00581	0.8
169.01416	94.8
170.01744	3.0
171.10248	4.4
173.04538	23.0
173.06039	1.4
175.11311	0.8
177.12837	1.0
179.05574	1.7
185.11787	1.1
189.16464	1.0
191.05602	4.8
193.12308	11.0
211.13351	2.9
211.23094	0.9
225.14941	18.1
243.16006	7.4
251.16496	13.5
253.09256	27.8
254.09653	1.0
286.18857	0.8
325.05661	13.2
328.36850	0.8
339.25238	1.0
341.23285	100.0
342.23639	7.3
343.06638	10.9
344.06741	0.9
355.24915	4.6
407.20865	2.3
425.21664	7.6
481.57278	1.1
515.23846	0.9
517.30176	25.4
518.30444	2.2
541.77588	0.8
577.22882	37.5
577.31097	2.4
578.23737	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.01378	18.3
61.98829	100.0
69.03452	3.5
71.01383	10.0
71.52168	0.5
72.99304	1.1
73.02948	1.8
75.00879	1.8
75.48364	0.6
81.03472	0.6
83.01397	1.5
83.05028	2.2
84.02168	2.5
85.02950	4.0
87.00884	2.2
89.02460	5.2
93.03445	4.4
95.01404	1.6
95.05035	0.7
96.96014	1.9
97.02953	2.2
97.06587	5.6
99.00910	1.1
99.04527	2.2
101.02450	7.7
107.01380	3.6
111.04500	3.6
113.02419	4.5
119.03503	2.0
121.02895	0.6
123.00912	1.1
124.27210	0.7
125.01523	1.2
125.02446	23.0
125.09742	1.0
126.02795	0.9
126.16396	0.7
129.01976	0.9
137.02435	2.1
137.09764	0.9
143.03513	1.0
151.00418	1.0
153.83940	0.6
155.03503	5.4
161.04512	3.8
167.03499	0.7
168.00659	1.0
169.01419	36.9
170.01770	1.6
171.10274	12.7
173.04550	5.9
177.01950	0.7
179.05653	1.1
185.11800	1.6
193.12318	7.5
205.05072	0.9
211.13408	1.7
218.07396	0.6
225.14948	8.8
243.15964	4.2
251.16508	13.0
253.09259	22.3
273.04373	0.7
291.19809	1.5
325.05777	4.7
341.23300	69.0
342.23712	4.9
343.06812	0.9
355.25058	2.7
373.25992	1.7
407.20883	1.3
425.22006	2.5
475.29166	0.8
491.29141	1.2
517.30231	13.3
518.31122	1.4
533.29681	5.7
577.23236	15.2
577.32227	4.2
578.23553	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36755	0.4
57.93838	0.5
59.01385	2.3
61.98830	12.2
63.96236	0.9
69.03468	0.6
69.32819	3.5
71.01377	6.1
73.02954	1.0
78.95910	1.7
78.98594	5.9
79.27687	0.4
79.95731	9.1
80.96515	63.5
81.03453	0.8
85.02957	2.8
87.00883	2.4
94.98085	14.6
96.96008	1.0
97.02937	1.8
98.20597	0.8
99.04557	0.4
101.02448	2.0
106.98069	2.9
121.72516	0.4
122.97588	2.5
125.02453	2.6
127.03996	0.7
134.97586	3.7
136.99120	1.2
143.43454	0.4
148.99135	4.8
152.98608	5.2
164.98619	9.7
167.00233	0.4
179.00279	0.4
206.99672	2.1
224.06834	1.0
225.00737	12.6
233.38828	0.4
277.21738	1.2
279.23297	7.7
299.04410	2.2
504.30954	5.0
577.26843	100.0
578.27228	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	577.269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77516	0.5
59.01370	1.0
61.98832	8.0
63.96241	1.8
69.19120	1.0
69.19521	4.8
71.01381	7.4
72.99363	0.5
73.02946	1.7
78.98591	6.5
79.95731	12.8
80.96517	77.5
81.03448	1.2
85.02963	3.5
87.00881	2.3
94.98090	15.5
96.96015	0.9
97.02953	0.8
99.00841	0.8
101.02443	2.5
106.98080	3.0
112.73280	0.6
122.97604	2.7
125.02467	3.3
127.04055	0.7
134.97568	4.6
136.99155	1.7
146.77522	0.5
148.99142	6.2
152.98640	5.8
152.99757	0.7
164.98640	11.7
167.00220	0.5
181.71074	0.5
193.80446	0.5
206.99658	1.8
225.00732	13.4
277.21707	2.0
299.04440	3.1
379.28738	0.5
380.28781	0.9
416.16443	0.5
560.48834	0.6
577.26849	100.0
578.27124	11.1
590.54242	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.9
59.01376	6.4
60.61636	0.4
61.98828	25.1
67.01879	0.7
69.03456	1.8
69.25406	3.0
71.01378	3.3
72.99312	0.5
73.02939	1.1
73.75967	0.5
75.00894	0.7
79.01915	0.5
81.03473	1.4
83.01389	0.9
83.05005	2.8
84.02184	1.4
85.02950	1.9
87.00883	1.8
89.02450	1.1
93.03456	9.9
95.01367	0.9
96.96027	1.0
97.02949	1.9
97.06630	0.5
99.00876	1.0
99.04513	0.9
101.02433	1.6
101.28693	0.4
107.01393	7.3
109.02932	0.8
111.00882	0.9
111.04513	9.9
111.08163	4.1
113.02446	2.0
119.03519	0.6
123.00893	1.6
123.08231	0.4
124.01624	0.7
125.02444	57.8
126.02809	1.5
127.04015	1.4
129.01950	0.5
137.02452	5.5
137.09717	3.8
139.00389	0.7
140.01135	0.5
143.03481	0.6
145.02934	0.8
151.04060	0.6
155.03496	16.6
156.03912	0.4
161.02620	0.4
161.04599	0.9
165.01773	0.5
167.03384	0.6
168.00558	0.9
169.01418	100.0
170.01785	2.9
171.10258	6.5
173.04535	22.9
174.04947	0.5
175.04033	0.5
191.05609	1.5
193.01482	0.4
201.05450	0.7
219.06688	0.7
245.04526	1.2
251.16508	18.4
252.16704	1.0
253.09216	3.9
307.04465	0.7
307.07782	0.6
325.05615	20.6
326.06046	0.8
341.23318	11.3
343.06604	3.8
355.24915	4.8
373.25839	1.2
403.17471	0.9
407.20615	2.2
425.21777	7.0
426.22101	0.6
433.93292	0.4
517.29980	2.2
559.21387	0.7
577.22760	42.0
578.23077	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
59.01381	7.2
61.53911	0.4
61.98831	41.7
67.01890	0.9
69.03468	1.6
71.01386	3.3
71.54414	0.4
72.99329	0.5
73.02962	1.5
75.00880	0.7
79.01919	0.7
81.03469	1.4
83.01406	1.0
83.05029	2.2
84.02193	1.8
85.02972	2.2
87.00897	2.0
89.02462	1.4
93.03461	9.4
95.01400	1.0
96.96016	1.1
97.02970	2.2
99.04522	0.7
101.02460	1.9
107.01389	8.4
109.02978	0.6
111.00920	1.3
111.04523	10.1
111.08171	4.1
113.02472	1.9
114.91557	0.5
121.02969	0.6
121.12229	0.4
123.00903	1.3
124.01677	0.8
125.02447	56.0
125.09776	0.7
126.02808	1.4
127.04003	1.2
129.02032	0.6
135.08223	0.6
137.02449	4.5
137.09744	3.3
139.04056	0.5
143.03539	0.5
145.02968	1.3
151.00348	0.4
151.04034	0.5
155.02248	0.8
155.03510	15.7
156.03883	0.5
161.02481	0.6
161.04527	0.8
165.05544	0.9
167.03497	0.6
168.00627	0.6
169.01424	100.0
170.01785	3.3
171.10263	5.5
173.04547	22.3
174.05011	0.7
175.04015	0.7
177.01894	0.6
190.02690	1.0
190.39473	0.5
191.05559	1.6
193.01512	0.7
201.05525	1.2
219.06602	0.6
221.10161	0.5
245.04443	0.9
251.16518	14.6
252.16864	1.0
253.09273	4.2
289.03442	0.6
307.04541	1.0
325.05618	18.9
325.09509	0.9
326.06027	0.6
341.23352	12.6
343.06726	3.8
355.24887	4.3
373.25882	1.5
403.17456	0.7
407.20752	2.7
408.20837	0.7
425.21930	5.9
517.30078	3.2
577.22742	41.6
578.23163	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	577.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.6
57.03447	7.6
57.05304	1.4
59.01379	100.0
61.98531	2.0
61.98830	30.1
63.81801	1.5
67.01891	2.4
69.03448	3.7
71.01383	36.0
72.99300	10.0
73.02947	21.4
75.00873	23.6
80.48882	1.4
81.03459	2.0
83.01376	5.8
83.07775	1.5
85.02946	34.3
87.00877	8.0
89.02441	8.0
93.03484	2.6
95.01392	5.8
96.77539	1.4
96.96005	7.7
97.02936	4.0
97.06579	1.7
98.20769	2.4
99.00895	10.4
99.04519	1.6
101.02431	16.6
107.01361	3.2
109.02969	2.3
111.00883	3.3
113.02447	36.8
114.02782	1.7
121.02932	1.7
123.00892	2.6
125.02442	72.6
129.01869	5.3
135.04509	1.9
137.02361	3.4
143.03487	2.4
151.00354	2.1
157.01370	1.9
161.02399	7.6
161.04475	3.3
165.01967	2.0
165.05522	1.5
167.03464	2.6
168.00668	2.1
169.01430	82.3
170.01761	3.1
175.02489	4.7
175.03931	1.9
178.99823	1.8
189.04016	2.2
193.01349	4.5
205.03522	1.6
229.42665	2.2
241.05150	2.0
249.06046	2.3
267.16003	1.8
269.04547	2.2
273.07693	3.2
287.05624	8.6
298.04834	3.0
299.05579	1.9
305.06586	5.8
327.21820	3.5
355.24774	2.4
371.24411	1.7
373.25961	8.2
374.25998	1.8
387.24002	2.0
429.21228	2.1
451.06903	2.2
457.06989	2.9
457.27844	2.5
464.94751	1.5
473.31424	2.3
517.30261	13.2
533.22418	57.4
534.22852	5.7
535.31036	7.8
577.17810	3.7
577.32599	97.2
578.21887	2.1
578.32098	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	577.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81625	4.3
57.03445	6.7
59.01101	5.7
59.01379	65.6
61.98833	100.0
62.99549	4.4
69.03455	4.4
69.65976	3.4
71.01377	40.9
71.08332	7.5
75.00857	4.3
78.95882	4.5
83.04992	4.2
85.02925	5.5
87.04014	3.7
89.02463	4.8
96.96021	9.8
101.02435	9.2
103.80495	3.6
106.08291	3.5
113.02430	9.8
121.03007	5.0
125.02451	34.4
137.02464	4.9
147.15448	3.9
157.03827	3.6
169.01421	30.3
173.04578	4.9
175.03926	4.2
251.16519	38.7
340.06927	4.1
355.25098	9.0
381.11877	11.7
423.12714	5.1
425.21722	14.4
441.74982	4.5
481.91550	4.1
517.29938	9.1
525.34631	4.4
577.22363	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	577.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.8
59.01379	83.8
71.01366	25.3
72.99297	11.5
73.02945	6.0
75.00857	30.7
77.48833	4.4
83.01373	5.1
85.02956	34.5
87.00894	13.9
89.02448	12.7
93.03468	7.1
95.01388	6.2
96.95989	11.1
98.20699	6.9
99.00864	15.7
99.04542	18.1
101.02397	6.8
103.00365	5.8
111.04520	6.5
113.02440	34.4
115.00359	5.5
116.13423	4.9
119.03489	5.3
119.05042	4.9
125.02465	36.4
135.11856	8.2
151.00398	6.4
155.03458	7.2
155.10764	16.4
165.04007	15.9
169.01399	52.1
173.04485	8.7
179.10817	45.3
189.04187	5.6
213.14957	7.8
223.13380	12.6
231.05170	5.3
232.03763	4.2
249.06111	38.2
257.13992	31.2
267.07263	32.1
267.12207	5.2
286.90585	5.0
387.10873	6.0
407.07910	6.6
425.10876	47.6
429.17569	100.0
430.17838	7.7
441.39450	5.8
456.35461	5.7
473.16302	29.6
491.17758	6.0
533.18750	55.6
539.21124	6.9
577.21423	37.1
601.65894	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	577.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94887	0.6
52.60263	0.5
54.09796	0.6
55.01873	1.1
57.03443	2.7
59.01379	30.1
61.98835	4.9
63.82990	0.6
67.01904	0.7
69.03468	3.6
71.01379	8.2
71.53918	1.0
72.76781	0.7
72.99302	2.3
73.02955	4.5
75.00873	1.5
83.01382	2.5
85.02940	6.9
87.00876	1.3
87.04517	1.5
89.02477	3.4
93.03468	0.7
95.01421	1.6
96.96017	2.1
97.02947	1.3
98.30179	0.6
99.00875	2.8
101.02441	6.5
103.00303	0.7
107.01403	2.2
109.02930	0.8
111.00849	1.3
113.02449	6.9
119.03512	1.1
123.00901	1.3
125.02436	13.7
126.02784	2.9
127.02966	0.9
132.02211	0.9
135.00873	1.4
137.02446	1.5
137.09740	1.0
140.00935	0.7
143.03516	1.2
151.00352	2.3
153.01935	1.2
157.12187	0.7
161.02441	3.7
161.04495	1.2
162.02785	0.8
163.00386	1.5
165.09236	0.8
167.03479	0.7
169.01392	8.5
171.03014	0.8
178.99802	1.2
179.03630	0.6
179.10732	0.8
183.04539	0.9
185.00902	2.3
185.02428	0.8
189.04048	1.2
197.05943	0.6
203.03479	0.8
207.14082	0.9
209.11845	0.8
211.04031	1.6
225.14993	3.1
227.03491	34.4
227.12888	2.7
228.03841	2.4
228.13181	1.8
229.04916	1.1
229.13210	0.6
239.03497	1.5
255.02965	68.5
256.03543	7.0
257.04480	1.9
269.13901	1.8
270.04916	1.2
271.05002	1.1
283.02542	1.7
284.03250	100.0
285.03860	11.5
287.05502	0.8
287.15054	7.8
288.15366	6.4
289.15515	6.3
307.07339	0.8
311.14963	0.8
313.23999	0.8
329.16022	2.4
355.24652	1.2
373.25839	1.5
387.23856	1.3
413.08719	1.2
429.25192	1.1
430.84937	0.7
457.28006	0.9
515.21930	0.7
517.30206	14.6
535.31042	5.4
541.22803	3.3
577.15540	79.7
577.30469	2.3
578.15625	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	577.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	15.2
58.82626	0.8
59.01366	1.2
60.73652	0.9
61.98808	1.4
69.51808	6.2
71.01376	2.1
81.03459	2.2
83.01382	4.8
85.02955	0.9
89.36430	0.9
93.03468	2.3
95.05047	1.8
96.96028	4.5
97.02943	3.5
98.19939	1.8
99.68662	1.0
105.03376	1.0
107.05021	1.6
109.02945	19.2
110.03286	1.0
113.02502	1.0
117.03460	0.9
119.05015	1.6
121.02953	3.3
122.03722	1.4
123.04533	13.5
125.02446	100.0
126.02808	1.4
133.02934	4.0
135.04512	2.9
137.02437	16.7
139.03998	2.6
145.02898	1.8
147.04466	0.9
149.02420	4.4
151.04027	12.4
159.04463	3.3
161.02431	27.5
161.06036	3.8
162.03186	2.9
163.00340	2.6
163.04007	4.8
164.01138	5.3
164.62691	1.0
165.01872	5.1
167.03519	1.8
169.01422	2.3
173.06007	1.0
175.03999	10.0
175.07605	1.3
177.01952	7.2
179.03488	4.1
179.65631	0.9
185.06082	1.3
187.03992	7.7
188.04718	3.5
189.05486	1.1
193.04961	1.3
199.03941	1.1
201.01910	1.1
201.05608	2.4
202.06349	1.4
203.03467	1.8
203.07156	9.2
205.01428	2.1
205.05032	7.3
211.04004	1.7
213.05467	1.1
214.02759	1.1
215.03491	2.1
217.05011	1.6
218.05273	1.0
221.08202	1.8
225.05515	1.2
227.03581	2.3
227.07176	1.2
229.05048	3.1
231.02936	1.7
243.02933	3.4
243.06602	1.3
245.04564	5.1
245.08211	10.4
247.06108	1.7
255.02972	12.4
256.03741	5.7
257.04443	1.4
269.04480	1.2
273.04022	5.5
281.04517	4.7
283.02359	2.6
285.04022	3.0
287.05594	6.9
289.07178	61.2
290.07547	2.1
297.07581	1.2
299.05655	6.5
338.21591	1.0
339.08759	4.4
341.06412	1.1
381.09711	4.0
389.06677	1.4
407.07669	63.2
408.07935	5.2
425.08740	20.7
451.10291	11.0
460.56604	1.0
541.12238	2.4
577.13361	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	577.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03445	4.2
58.00603	0.5
59.01381	25.8
61.98833	4.5
67.01900	0.6
69.03457	3.6
69.26734	0.9
69.27146	2.8
70.17509	0.4
71.01382	8.8
71.81390	0.4
72.99313	2.4
73.02953	4.3
75.00872	2.9
79.01886	0.5
81.03458	0.9
83.01389	2.0
83.05051	0.5
85.02951	6.5
87.00877	1.9
87.04520	0.5
88.98827	0.5
89.02468	2.4
93.03461	1.3
95.01376	2.2
95.05022	0.5
96.43586	0.3
96.95998	2.6
97.02981	2.1
97.03513	0.4
97.06609	0.6
97.25653	0.3
97.59310	0.3
98.19845	0.9
99.00917	1.9
99.04524	0.7
99.38851	0.4
101.02442	3.8
105.03459	0.4
107.01405	1.4
109.02930	1.1
111.00900	1.0
111.04533	0.7
111.08208	0.4
113.02448	6.8
115.03990	0.4
117.01970	0.5
119.03472	0.9
119.04982	0.4
121.03009	0.5
123.00889	1.7
123.04520	0.7
123.08145	0.5
124.01663	0.7
125.02448	58.0
126.02787	1.4
131.03546	0.6
135.03024	1.3
135.04520	1.1
135.08080	0.4
137.02437	4.5
137.09709	0.6
139.00345	0.8
139.04016	1.3
139.11253	0.5
140.01176	0.5
143.03520	0.6
145.02980	0.7
149.02475	1.0
151.00340	1.8
151.03989	0.7
153.09232	0.5
154.99922	0.5
155.10788	1.1
161.02449	5.5
161.04572	1.0
165.01918	2.2
167.03493	2.8
168.00671	0.9
169.01424	100.0
170.01750	2.9
171.03026	0.8
171.10229	0.9
175.02397	0.5
175.03822	0.5
177.01929	0.6
177.05550	1.0
179.03514	0.9
183.02957	1.1
185.01016	0.5
189.03996	1.1
190.02716	0.5
191.03384	0.5
191.05626	0.4
193.01428	2.5
201.05536	0.8
219.06604	1.1
219.13889	0.5
221.04585	0.5
227.03571	1.0
233.04523	0.7
234.04901	0.5
243.02943	0.4
255.06735	0.8
265.18103	0.6
267.07388	0.4
269.04553	1.4
273.07703	3.8
283.19147	0.4
284.03174	0.9
285.04004	0.5
287.05475	2.6
289.03549	6.8
289.06708	0.3
299.64203	0.4
305.06671	8.8
313.05713	0.7
327.21808	0.7
331.04572	0.7
335.03983	0.8
355.24734	0.8
357.58679	0.4
373.25986	2.1
387.23889	1.4
425.08749	4.6
426.10178	0.4
457.01874	0.7
457.07700	8.3
458.07932	1.2
517.30341	18.7
518.30267	0.4
533.21643	0.6
535.31659	5.2
541.22662	0.5
576.31226	0.6
577.10205	0.9
577.18060	1.4
577.31458	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.2
61.98829	1.5
70.09106	0.5
70.97578	1.3
70.97913	0.7
71.01389	0.6
75.52533	0.6
78.95902	6.0
99.95760	0.7
106.90002	0.7
106.96893	0.7
120.98329	0.7
152.99579	1.0
168.04306	1.6
224.06831	0.9
226.34151	0.8
232.52542	0.7
242.07961	2.7
277.21704	100.0
278.22064	5.3
356.08841	0.8
502.29407	30.9
503.29837	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	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	24.5
61.98830	3.2
65.19625	1.0
67.79008	1.0
70.92820	3.1
74.26836	1.0
78.95901	23.8
79.54510	1.2
79.95724	1.3
80.96519	4.2
130.45770	1.1
152.99602	2.3
164.98596	1.3
168.04350	2.7
222.48802	1.1
224.06934	10.0
229.67224	1.1
242.07962	2.5
277.21704	100.0
278.22098	6.4
282.59091	1.3
344.67880	1.1
502.29355	74.5
503.29758	6.2
577.26849	8.5
603.62079	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65247	0.3
61.98830	100.0
69.51522	0.4
78.95903	2.7
80.96522	1.6
94.98101	0.4
103.90788	0.4
115.92107	0.7
116.92878	0.6
125.02441	0.9
174.92316	0.4
179.89279	0.5
196.89546	0.6
211.07666	0.4
229.51666	0.4
231.61232	0.4
303.56165	0.4
397.77774	0.5
576.21173	1.0
576.33575	0.9
577.26910	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	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.36850	0.7
69.50803	5.5
78.98595	0.9
80.96513	4.2
94.98093	0.8
98.20612	1.6
166.91125	0.8
201.51781	0.7
314.56503	0.8
378.22543	0.8
379.28455	2.7
577.26758	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.0
57.03424	5.0
59.01106	2.2
59.01378	35.0
61.98833	15.6
67.01882	1.8
69.03436	5.6
71.01385	28.4
72.99291	6.6
73.02931	6.3
75.00871	23.0
83.01370	3.8
85.02943	26.4
85.35313	1.4
87.00854	6.2
89.02422	5.9
93.03426	1.9
95.01366	5.9
96.96027	2.4
97.02929	3.0
98.20758	3.1
99.00900	8.1
99.96428	1.6
101.02452	7.8
111.00834	3.0
113.01720	2.2
113.02450	28.8
115.00311	1.9
119.03514	2.3
125.02486	11.5
129.01938	3.4
132.02362	1.4
137.02521	1.9
157.01382	2.0
169.01424	11.2
173.04405	2.7
175.02437	3.3
371.24323	2.7
371.30029	1.6
379.73676	1.7
389.25229	4.1
494.68198	1.9
515.28174	6.0
532.41443	2.2
533.29376	3.1
575.26898	100.0
576.26965	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	575.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.6
57.03450	5.0
58.00573	0.9
59.01379	24.3
59.97120	0.8
61.98834	7.1
67.01882	1.1
68.99808	0.8
69.03441	1.4
71.01379	24.6
71.92651	0.7
72.99310	4.7
73.02946	4.6
75.00462	1.2
75.00873	19.1
83.01366	3.0
85.02454	1.3
85.02952	24.5
87.00478	0.7
87.00890	6.6
89.02444	3.7
95.01399	3.7
96.66851	0.7
96.76192	0.7
96.95975	2.2
97.02895	1.1
99.00876	10.2
100.05508	0.7
101.02443	7.3
101.87231	0.6
103.00368	0.7
107.01362	0.9
111.00854	2.0
111.76636	0.7
113.02455	25.0
115.00358	2.2
117.01930	1.5
123.00832	1.2
125.02444	7.7
129.01938	1.1
137.02403	1.5
157.01392	1.3
161.02444	1.2
161.04622	1.0
168.00563	1.3
169.01433	6.0
173.04483	1.8
173.17354	0.7
175.02422	2.1
201.11072	1.1
207.30972	0.7
211.02371	1.4
259.92114	0.7
271.04483	1.4
343.06409	0.7
353.23163	1.2
371.24280	2.3
385.22183	0.8
480.93521	0.9
515.28278	2.3
533.29230	1.5
575.27020	100.0
576.27374	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	575.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01714	0.9
57.03456	8.5
59.01379	40.5
61.98833	5.6
64.27837	0.8
69.03452	4.1
71.01382	4.1
72.99318	2.2
73.02949	2.3
75.00855	1.8
78.63041	0.9
83.01379	2.7
85.02941	2.8
89.02457	1.3
93.03431	1.2
95.01389	1.9
96.96040	1.2
97.02959	1.3
99.00871	1.7
99.04546	1.3
101.02439	2.2
105.03434	1.8
107.01408	1.4
107.93011	0.9
109.02951	1.0
113.02450	2.7
119.03591	0.9
123.00875	2.6
125.02450	47.4
133.02988	1.0
135.03001	1.3
137.02449	3.6
139.00433	1.1
141.01888	1.2
141.56039	0.9
151.00397	2.1
161.02452	14.9
165.01831	1.1
167.03429	1.5
169.01436	7.9
173.06056	0.9
174.78955	0.9
175.49149	0.9
177.05566	1.7
183.04427	1.0
185.00938	4.5
201.02164	1.0
201.05649	2.8
207.13867	1.7
209.11801	3.6
219.06728	2.4
223.13408	1.3
225.05528	1.2
225.14960	2.7
227.03511	3.1
227.10719	1.6
227.12897	24.7
229.01503	1.8
243.06735	1.3
261.07697	1.1
269.01721	0.8
269.04535	14.6
269.13925	5.7
287.05939	5.3
287.15002	100.0
288.15256	6.0
303.08685	1.2
305.06696	8.5
387.12973	2.6
389.25064	2.6
409.71658	1.0
437.17920	1.4
537.18933	1.3
539.13916	6.8
539.21301	3.9
540.21472	1.5
575.19476	2.9
575.29309	1.6
576.22174	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.5
59.01385	11.7
61.98798	1.2
68.99819	2.1
69.03449	2.8
71.01385	17.8
71.09500	2.8
72.99297	4.8
73.02943	1.4
75.00871	13.5
75.63914	1.3
83.01401	3.0
85.02954	17.0
87.00866	7.2
89.02437	2.8
93.03481	1.7
95.01389	4.8
96.96006	5.3
99.00885	15.5
103.00401	1.4
107.01312	1.2
109.02947	3.3
111.00909	1.4
113.02443	20.6
116.92836	4.8
117.01906	2.0
117.03476	5.0
118.06890	1.3
119.05030	61.9
120.05371	2.3
121.02933	1.6
125.02449	17.5
126.02792	1.8
127.37280	1.4
129.01881	2.8
137.02402	3.2
141.01804	1.7
145.02948	29.4
157.01425	1.4
163.04008	49.5
163.05406	2.3
167.03465	1.8
169.01425	12.2
170.01816	2.3
175.02499	1.7
199.02370	1.6
199.04015	3.9
204.13210	1.5
219.06419	1.5
237.07704	5.7
243.02901	9.4
249.06116	16.4
255.02928	14.0
256.03577	2.0
267.07217	33.3
269.04517	1.5
283.02475	4.6
301.57083	1.4
319.07883	1.6
351.10928	3.3
395.09750	19.5
405.07785	1.5
413.10803	37.6
414.11310	2.4
423.07153	21.6
424.07538	3.0
452.59525	1.3
513.08807	2.6
575.16113	100.0
576.16290	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	575.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08176	1.4
56.96168	1.1
57.03437	2.8
59.01382	13.1
59.72105	1.2
68.99813	2.5
69.03465	2.3
69.90192	1.3
71.01379	20.2
71.52935	2.5
72.99302	7.0
73.02928	2.5
75.00872	19.4
81.03484	1.5
83.01375	3.6
85.02959	20.7
87.00877	8.3
88.91581	1.5
89.02425	4.2
93.03458	2.5
95.01395	7.1
96.95999	6.4
97.02956	1.5
99.00878	15.4
103.00349	2.2
109.02913	2.7
113.02460	25.4
115.00333	2.3
116.92835	2.4
117.01942	2.5
117.03458	4.6
119.05025	79.5
120.05357	2.1
123.00926	1.8
125.02442	8.7
137.02441	1.8
145.02950	22.0
157.01454	2.8
161.02478	1.5
163.04004	50.7
164.04402	1.5
167.03462	1.8
169.01422	4.2
171.15059	1.4
175.02426	4.0
189.01787	1.7
191.05620	1.5
231.05048	2.9
237.07651	4.4
243.02890	4.4
249.06146	30.5
255.02994	6.4
256.03546	1.5
267.04333	2.0
267.07202	34.1
283.02350	2.2
351.10757	4.7
395.09671	10.6
413.10858	60.4
414.11249	3.9
423.07318	8.7
442.60727	1.5
448.79465	1.9
575.16119	100.0
576.16565	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	575.1031
Annotation	2,6-di-O-Galloylarbutin
Peak:m/z	Relative Intensity
57.03432	1.1
59.01377	36.5
61.98880	0.8
65.00320	1.9
67.01887	1.2
69.03433	2.8
69.50468	2.6
69.50899	3.5
69.74579	0.8
71.01383	21.8
72.01670	0.9
72.99319	1.4
73.02946	7.4
79.01891	1.5
79.95719	1.8
81.03435	1.4
82.55193	1.1
83.01381	3.2
85.02950	8.6
87.00880	2.6
89.02438	14.6
95.01394	5.1
96.96012	29.5
97.02937	1.4
98.20683	0.9
99.00888	2.4
101.02448	15.6
107.01400	12.3
108.02158	3.8
109.02963	8.1
111.00880	3.4
113.02450	16.2
116.92883	1.2
119.03503	5.4
121.03029	0.9
123.00874	12.5
124.01650	2.8
125.02444	76.3
126.02773	2.9
135.00941	0.9
136.11375	0.8
136.98808	1.7
137.02423	4.0
139.00388	6.0
139.03978	1.2
140.01213	4.7
141.01906	2.0
143.03506	2.0
150.03160	1.1
151.00362	15.8
152.00812	0.9
153.01933	1.8
154.35023	0.8
161.02354	1.3
161.04546	3.7
165.05573	2.0
166.99815	1.1
168.00652	8.0
169.01419	70.3
170.01675	1.2
171.99364	0.9
177.01938	1.7
178.99857	4.8
179.05684	1.8
181.01357	1.3
193.01456	1.0
207.02921	0.9
211.02550	2.2
253.57007	0.9
261.04062	3.6
267.07190	1.7
271.04794	1.5
295.04532	1.8
313.05603	13.0
314.05908	1.1
317.03009	15.4
318.03412	1.7
354.34186	1.1
405.08243	2.5
423.09329	53.8
424.09598	3.8
439.10602	18.8
440.11002	4.2
465.06693	6.7
491.19473	1.8
539.21301	2.0
574.22003	1.7
575.10376	100.0
575.20685	4.3
576.10632	11.2
598.56866	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.4
60.49643	1.2
61.98828	8.1
69.03442	1.5
69.53041	2.9
69.53449	6.7
71.01369	4.0
71.86169	1.4
85.02927	1.4
89.02433	1.7
92.21336	1.3
93.48782	1.2
95.01425	2.1
96.96015	9.3
99.92566	1.9
101.02449	2.7
107.01380	5.6
109.02966	2.6
111.00888	3.0
113.02440	2.0
116.92864	19.8
123.00883	11.8
125.02444	33.3
131.74966	1.3
136.98831	1.8
137.02382	1.4
139.00366	4.9
139.04028	1.6
140.01157	2.1
141.01942	2.7
146.03625	1.7
151.00354	11.4
165.05560	3.0
168.00597	6.5
169.01428	37.9
183.03008	3.0
208.53592	1.7
211.02463	7.3
225.04022	2.1
271.04517	9.1
272.04770	1.6
285.06012	2.3
313.05548	4.9
316.02237	2.8
345.11847	1.9
423.09479	13.2
439.10867	7.4
474.96091	1.6
511.14542	100.0
512.14880	9.3
574.22229	9.0
575.10327	20.3
575.18933	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.8
61.98819	2.1
63.42924	1.1
66.31107	1.1
69.03442	1.4
69.41987	2.5
69.42397	5.3
71.01370	3.6
73.02941	1.5
83.01371	1.1
85.02959	2.7
87.07919	0.9
88.53892	1.2
89.02442	2.0
93.03453	4.5
95.01409	1.3
96.96024	7.7
101.02418	2.2
102.24589	0.9
108.02178	1.3
108.40742	1.1
109.02957	1.2
113.02439	1.3
121.02956	15.6
122.03769	13.1
123.00867	2.5
123.04520	2.3
125.02460	7.7
127.74976	1.2
133.02937	1.4
135.04442	1.3
136.01637	1.5
137.02414	1.7
139.03944	1.1
142.51776	1.1
149.02437	53.8
150.03232	90.9
151.03801	3.9
164.04794	14.9
165.05568	100.0
166.06351	39.0
167.03419	1.2
167.07069	3.1
169.01443	9.3
175.03995	3.2
180.04263	5.8
181.08725	20.5
195.06628	63.2
196.06885	2.4
225.71452	1.0
269.08148	1.4
270.08890	1.6
271.04562	1.2
285.07666	2.2
299.09158	2.1
300.23938	1.1
313.10730	3.4
314.11575	7.6
324.46414	1.1
329.10419	1.7
329.13907	29.8
330.14279	1.8
343.11859	32.3
344.11902	1.5
351.21567	1.6
357.05804	1.2
377.15912	2.0
391.14169	2.1
403.75970	1.0
493.29874	1.2
511.12015	1.5
525.21271	29.7
526.21417	4.4
537.19781	3.1
573.23230	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	573.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.3
57.03434	1.3
59.01379	13.1
60.99311	5.5
61.98811	3.5
67.01876	1.3
69.03444	3.0
71.01380	5.6
72.99288	2.2
73.02953	2.0
78.88306	1.2
83.01383	3.2
85.02942	4.4
88.98805	39.8
89.02429	1.4
95.01379	2.1
96.72094	1.1
96.95993	3.2
97.02937	3.0
97.50200	1.0
98.20772	2.4
99.00917	1.5
101.02426	3.7
107.01386	10.6
107.32384	1.2
111.00875	3.7
111.07310	0.9
113.02437	1.7
121.02925	1.5
123.00877	16.6
125.01524	2.2
125.02444	43.9
127.00394	1.4
136.98811	2.7
139.00383	5.3
139.03937	1.0
140.01120	4.5
141.01952	2.7
147.04510	1.0
151.00386	13.8
161.02335	1.2
166.99869	1.0
168.00633	9.0
169.01433	45.7
170.01694	1.8
185.00873	2.9
199.03844	1.1
275.01782	2.2
313.05688	3.1
375.27560	3.1
387.23819	1.4
403.10587	2.4
421.11398	35.0
422.11810	2.8
483.18652	26.2
484.18985	1.9
573.12421	100.0
573.27063	4.9
574.12683	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	572.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07964	0.8
52.32290	0.9
53.03180	0.8
55.01873	1.1
57.03427	1.3
59.01379	7.8
61.98822	8.8
67.01879	1.0
69.03442	1.3
71.01373	4.6
72.99282	1.3
73.02944	1.7
81.54665	1.0
83.01364	1.3
85.02939	2.8
87.00875	1.2
88.98801	0.9
89.02440	2.1
93.03439	1.0
95.01395	1.6
96.96012	2.2
101.02431	3.3
107.01407	4.5
109.02981	1.4
111.00903	2.2
113.02434	2.6
121.02965	4.9
122.03723	1.5
123.00893	9.6
124.01700	1.3
125.02444	31.0
126.02765	3.9
136.98813	1.2
137.02391	2.5
139.00351	3.4
140.01163	2.3
141.01932	0.9
149.02419	13.7
149.06087	1.0
150.03218	13.2
151.00369	8.6
151.03900	0.9
160.38687	0.9
164.04781	3.8
165.05547	12.6
166.06311	8.8
167.03450	2.0
168.00606	3.2
168.03851	1.0
169.01414	36.7
170.01712	3.9
173.04465	1.3
175.03976	1.1
181.08665	6.1
183.02977	1.0
195.06583	8.6
207.10242	2.7
208.10529	2.1
211.02420	3.9
238.55434	1.0
269.08115	1.2
271.04602	7.0
313.05533	1.5
313.10828	1.4
314.11734	2.0
329.10477	1.4
329.13812	6.1
343.11792	10.8
358.13889	1.5
391.14319	1.6
509.16608	100.0
510.16971	11.2
525.21185	9.2
528.15594	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	572.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.2
59.01387	5.4
59.04225	0.8
61.98833	8.2
69.03448	1.6
71.01392	5.3
71.55149	0.7
71.55500	0.8
73.02930	1.4
83.01393	0.9
83.23244	0.7
85.02938	2.0
87.00822	1.0
89.02406	1.5
93.03435	0.9
95.01372	1.6
96.96006	2.8
99.00872	0.7
101.02443	2.0
107.01382	3.7
107.13592	0.8
109.02952	1.2
111.00878	2.1
111.08144	0.8
113.02451	1.5
121.02953	2.9
122.03770	1.3
123.00884	10.6
125.02445	25.7
126.02762	2.3
137.02455	1.9
139.00371	3.0
139.04004	1.4
140.01146	1.5
140.70276	0.8
149.02441	12.8
149.06044	1.3
150.03201	10.4
150.40573	0.8
151.00383	9.2
151.04042	1.7
151.64963	0.8
164.04787	3.2
165.01956	0.9
165.05536	9.3
166.06378	8.2
166.99863	0.8
167.03502	1.9
167.07083	1.1
168.00594	2.3
169.01436	35.6
170.01796	4.2
175.03941	0.9
181.08705	6.3
183.10249	1.1
185.00726	0.9
195.06628	6.5
207.10278	2.7
208.10506	2.2
211.02480	4.0
236.40926	0.8
271.04645	7.2
278.31949	0.8
285.07706	1.3
305.06668	1.0
313.05478	2.3
313.10889	1.8
329.10318	1.0
329.13916	5.0
343.11816	9.3
358.13565	1.3
394.55603	0.8
420.13681	0.8
479.70422	0.9
509.16617	100.0
510.17014	10.6
525.21155	7.4
573.21875	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2883
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
59.01369	2.6
70.97208	1.7
78.95904	65.1
82.10789	0.6
83.31390	0.6
85.95760	0.5
87.03709	0.7
89.99266	0.7
96.96962	13.7
150.97972	0.8
152.99582	55.5
177.31149	0.7
188.62561	0.8
223.00160	1.6
241.01181	30.1
242.01582	0.7
255.23286	73.0
256.23630	5.1
259.02206	1.4
277.21686	1.4
311.70142	0.8
315.04865	9.3
315.34918	0.7
391.22568	6.4
453.46985	0.8
571.28857	100.0
572.29370	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	571.1457
Annotation	4'-Methoxy-3,3',5-trihydroxystilbene 3'-O-beta-D-(2''-O-galloyl)-glucopyranoside
Peak:m/z	Relative Intensity
55.01870	0.5
55.84538	0.5
57.03424	0.9
59.01154	0.5
59.01382	6.6
61.98825	6.1
65.03959	0.5
67.01880	1.4
68.99806	0.9
69.03442	2.0
70.14392	0.5
71.01379	6.5
71.28551	0.5
71.53875	0.7
72.99300	1.7
73.02953	1.6
75.00861	1.5
79.01894	1.4
81.03465	0.7
83.01386	1.2
84.58424	0.5
85.02937	3.9
87.00864	1.3
89.02439	1.8
93.03452	1.8
95.01417	2.9
96.96001	5.2
96.96972	0.8
97.02924	1.7
99.00865	1.2
101.02429	2.7
106.04261	2.9
107.01382	10.8
107.05030	8.1
108.02177	1.7
109.02966	0.6
109.74957	0.6
110.00002	0.6
110.63876	0.5
111.00877	1.9
113.02445	3.8
121.02959	1.6
123.00881	14.8
123.04513	0.8
124.01634	1.7
125.02447	44.7
126.02784	1.0
127.00366	0.7
133.02948	5.8
136.98758	1.1
137.02420	1.4
138.03188	0.8
139.00374	5.6
140.01144	3.4
141.01912	1.7
145.02982	0.7
149.02490	0.6
150.03130	0.6
151.00359	13.2
151.03970	1.5
152.00655	0.8
153.01955	1.0
161.04501	0.6
163.03989	1.2
164.01088	0.6
165.01848	0.6
165.05518	0.6
166.99847	0.7
167.03430	0.9
168.00674	3.9
169.01421	56.7
170.01747	1.8
177.01820	0.8
182.02167	1.0
193.01373	0.7
194.99399	3.3
211.02441	1.3
211.07700	3.7
213.09206	27.4
214.09521	1.6
239.07222	2.7
241.03366	0.7
249.06097	0.6
253.86629	0.6
257.08200	3.9
271.04559	0.6
313.05634	13.6
321.11197	2.4
338.54770	0.6
343.24890	0.7
355.24915	1.1
365.10153	0.6
371.24332	9.9
372.24561	1.6
373.25885	21.7
374.26129	1.1
419.13409	18.1
420.13840	1.3
491.28711	0.6
527.15527	35.5
528.15759	4.2
553.13690	3.8
570.26483	0.8
571.14551	100.0
571.24707	4.6
571.28644	5.0
572.14825	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	571.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.1
67.01875	1.0
69.03452	1.1
71.01382	3.2
71.05182	1.2
79.01902	1.1
83.14524	0.5
85.02962	1.0
87.04498	0.9
95.01401	2.3
97.02917	1.1
101.02446	2.5
105.05556	0.9
107.01395	9.1
111.00878	2.2
113.02440	1.3
123.00892	9.7
124.01660	2.0
125.02449	42.9
126.02766	1.2
127.00337	0.7
136.98824	1.2
139.00401	3.5
140.01152	3.4
141.01959	1.7
151.00375	8.9
151.04025	0.6
163.04041	0.8
166.99841	0.8
168.00635	4.2
169.01422	50.5
170.01675	1.3
181.01450	0.6
209.04631	0.6
211.02495	0.9
230.78523	0.5
253.03461	0.6
271.04443	0.8
272.28543	0.6
295.04590	1.3
313.05630	3.6
355.53442	0.6
401.10916	2.1
419.11926	31.4
420.12344	1.8
571.13013	100.0
572.13232	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	571.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27678	0.5
56.48027	0.5
59.01391	3.9
59.94799	0.5
60.58716	0.5
67.01894	0.9
69.03436	1.1
71.01377	3.8
71.51936	0.8
71.52283	0.6
72.99294	0.7
73.02940	1.3
79.01892	0.7
83.01415	1.0
85.02939	1.5
87.00874	1.8
89.02461	1.5
94.10734	0.7
95.01354	3.0
95.11862	0.7
96.95993	2.2
97.02965	1.4
99.00895	0.7
101.02435	3.4
105.05585	1.0
107.01394	10.5
107.05036	0.7
109.02933	1.1
111.00871	2.9
113.02444	2.1
121.02859	0.7
123.00887	11.2
123.04509	0.6
124.01658	2.2
125.02448	43.7
127.00430	0.9
135.04488	0.6
136.98807	0.8
137.02443	1.7
138.03223	1.2
139.00374	5.0
140.01112	4.4
141.01883	1.2
151.00357	8.8
151.03987	2.3
153.05585	0.9
161.04457	0.9
167.03424	0.7
168.00607	5.3
169.01419	51.4
170.01736	1.9
179.03442	1.4
181.01443	0.7
181.05060	8.2
181.73918	0.9
182.05869	4.4
183.06621	12.5
194.05850	0.8
209.08194	1.9
211.02428	2.2
231.18802	0.6
237.07597	1.5
239.05737	1.4
271.04611	2.5
295.04291	1.1
313.05701	3.1
321.15472	0.8
344.11014	2.3
345.11887	1.2
401.10803	1.9
409.15189	0.9
419.11935	34.6
420.12225	2.1
571.13000	100.0
571.20453	5.2
572.13165	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3001
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
51.20306	0.9
59.01367	1.2
61.98830	1.1
69.57256	6.0
71.01388	4.8
71.10245	0.8
73.02946	1.0
78.98606	6.3
79.95736	8.2
80.96518	57.0
85.02939	2.8
87.00896	2.1
94.98092	13.6
96.95992	1.8
101.02449	1.3
106.98093	2.2
122.97585	2.5
125.02422	3.4
131.71010	0.9
134.97574	4.3
148.99141	5.2
152.98645	4.0
164.98618	8.7
206.99751	1.1
225.00768	11.3
269.24738	1.5
299.04340	2.3
317.87738	0.9
345.31073	1.0
524.55701	1.0
569.29999	100.0
570.30261	8.7
571.45337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.8
59.01380	6.9
61.39706	0.6
61.98812	2.4
64.21149	0.6
67.01875	1.1
69.03462	0.8
71.01379	4.8
71.53747	0.7
72.01687	0.8
72.99325	1.3
73.02943	1.6
75.00876	1.7
79.01897	0.7
81.82629	0.6
83.01392	1.6
85.02952	2.9
87.00905	0.9
89.02430	0.9
95.01391	2.1
96.96011	1.6
97.02969	1.5
97.27356	0.7
99.00905	0.8
101.02461	2.5
107.01395	4.3
111.00874	2.6
113.02460	2.0
114.39877	0.6
119.03516	0.9
119.05035	0.7
121.02957	0.7
123.00891	12.5
124.01684	1.0
125.02453	18.3
126.02818	0.7
126.29443	0.6
130.45616	0.6
133.02890	0.6
136.98805	0.8
137.02490	1.3
139.00343	5.9
140.01155	2.6
141.01927	1.3
145.02914	0.8
151.00385	10.1
153.01939	0.6
161.02443	1.1
163.04051	1.1
168.00658	3.2
169.01437	23.9
170.01781	0.9
170.62524	0.7
172.92102	0.6
191.53064	0.6
211.02510	3.3
218.09845	0.7
271.04578	2.9
313.05505	2.0
371.24231	0.9
407.13721	0.8
569.26031	100.0
570.26355	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	569.1891
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
52.74448	1.1
59.01378	8.5
61.98823	1.2
69.59317	1.0
71.01382	7.5
71.52030	1.3
73.02945	1.3
75.00865	5.1
83.01379	2.2
85.01032	4.2
85.02946	3.4
87.00875	2.9
88.98830	1.4
89.02454	1.8
93.03438	1.1
95.01376	1.9
96.96001	3.0
99.00874	1.5
99.08121	1.2
101.02433	3.7
103.00365	2.8
112.98795	8.4
113.02441	5.3
115.00362	3.1
115.02079	1.6
117.01941	1.7
123.00839	1.7
125.02435	8.3
127.02055	1.4
143.05244	2.7
145.01428	14.4
145.03130	2.1
146.01849	1.4
157.01442	2.0
157.03148	1.0
164.64227	1.0
169.01448	5.9
169.02788	1.1
181.05048	1.4
211.02425	1.4
263.05716	1.7
271.04617	2.1
333.06461	2.9
349.13113	13.0
356.94113	1.2
363.14749	1.5
391.14246	3.0
449.14249	1.4
482.96701	1.0
537.16492	4.4
569.19067	100.0
570.19824	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.9
61.98854	0.6
67.01891	1.2
71.01376	3.3
71.55057	0.7
73.02950	0.6
75.00887	0.6
79.01907	0.9
81.03434	0.6
84.12211	0.6
84.67670	0.6
85.02960	0.9
87.00899	0.9
89.02444	1.1
93.03438	0.7
93.56216	0.5
95.01386	4.4
97.02903	1.0
101.02449	1.5
101.42288	0.6
104.60372	0.6
107.01373	1.6
111.00884	2.3
113.02440	1.3
115.38807	0.6
123.00887	18.7
123.01754	1.3
124.01642	2.3
125.02443	14.7
126.34402	0.6
126.35268	0.6
136.98763	1.1
137.02449	1.4
139.00394	6.8
140.01163	2.9
141.01877	1.7
150.03268	0.8
151.00334	3.1
155.03522	0.5
165.05542	1.0
166.06262	0.6
166.99826	8.4
167.03574	0.5
168.00688	4.7
169.01425	18.5
170.01704	0.8
173.04536	1.4
183.02963	1.9
183.10388	0.8
195.02963	0.5
210.17169	0.5
243.12341	0.9
246.23633	0.6
247.12868	0.5
274.80371	0.6
289.07129	1.3
302.07919	0.8
303.08722	1.2
314.07886	1.5
317.06628	5.7
318.07364	5.1
325.05426	0.6
331.08014	1.7
332.08994	19.8
333.09741	7.5
334.10214	0.6
374.10077	1.8
375.10739	0.8
389.12476	2.0
407.13446	1.6
417.13400	0.7
436.59155	0.8
569.18726	100.0
570.19037	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	569.1881
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
51.07448	0.5
52.28817	0.6
59.01382	4.8
61.98829	1.0
62.50636	0.6
64.18731	0.7
67.01906	1.0
69.03456	0.7
71.01379	3.5
79.01905	1.5
79.92276	0.6
83.01422	1.2
85.02943	1.2
88.98817	0.7
89.02444	1.7
93.03459	0.9
95.01407	4.4
96.17497	0.7
96.96015	0.9
97.02897	0.9
98.20650	1.4
99.00779	0.7
101.02430	0.7
107.01422	1.4
111.00877	2.8
113.02464	0.8
116.92876	1.3
123.00884	17.8
124.01699	1.2
125.02445	14.1
137.02448	1.0
139.00372	5.0
139.03989	0.7
140.01157	2.4
141.01936	1.8
150.03242	0.7
151.00363	3.2
153.01913	0.8
165.05643	0.9
166.99858	7.7
167.03485	0.7
168.00664	5.0
169.01427	19.8
170.01759	0.9
181.05049	0.7
182.02138	0.9
183.02997	2.3
194.99355	1.5
206.86841	0.6
226.41615	0.7
243.12508	0.8
260.56583	0.6
271.04504	0.8
289.07227	1.0
303.09012	0.6
306.47644	0.6
314.08017	1.8
317.06656	5.2
318.07410	6.3
319.07980	1.1
331.08099	2.1
332.05093	1.1
332.09012	19.1
333.09772	9.2
334.09998	0.8
374.09988	1.4
375.10626	0.6
389.12445	2.7
407.13333	2.1
569.18738	100.0
570.19067	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	569.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31636	0.8
57.03423	1.2
57.21771	0.8
59.01388	6.0
60.15399	0.7
61.98786	0.7
62.09683	0.8
63.10762	0.7
67.01852	0.9
69.03439	1.8
70.67020	0.8
71.01340	3.5
72.99275	0.7
73.02917	2.1
73.72620	0.8
79.01865	1.4
83.01360	1.5
85.02906	2.8
87.00814	0.9
89.02421	1.1
93.03416	3.6
95.01337	2.3
96.95962	1.4
97.02931	1.5
98.41457	0.8
99.00813	1.6
101.02379	3.6
107.01389	14.3
109.02932	1.3
111.00812	3.7
111.04476	2.7
113.02424	1.1
121.02943	1.0
122.03690	1.7
123.00883	13.5
124.01617	2.6
125.02446	59.1
126.02683	0.9
127.00308	1.3
136.98738	2.5
137.02382	2.6
139.00365	5.3
139.11205	2.9
140.01183	5.2
141.01871	1.1
149.02351	2.9
150.03220	11.8
151.00366	13.4
155.03482	5.6
165.05547	11.0
167.03584	0.8
168.00647	8.5
169.01425	71.4
170.01666	2.6
173.04546	4.9
179.03400	0.9
181.04929	1.4
181.12221	2.0
183.10309	3.8
195.06599	7.8
201.47890	0.8
205.04944	0.8
209.04440	1.0
211.02342	1.3
225.11249	1.4
240.51218	0.8
243.12325	5.1
244.12480	0.9
271.04559	1.1
313.05408	3.2
325.05444	3.2
373.14679	2.2
399.12271	1.6
399.16745	1.5
417.13922	40.3
418.13876	2.7
509.16141	0.8
521.20557	4.4
569.14746	100.0
570.15051	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	569.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69012	0.7
51.15046	0.7
57.03452	1.1
59.01379	8.7
61.98830	1.1
67.01905	1.0
68.99812	0.8
69.03448	1.8
69.15901	0.7
69.57937	1.9
69.58347	3.5
71.01374	7.0
71.54224	0.7
71.54634	0.6
72.99303	1.0
73.02935	1.5
75.00864	1.0
77.32022	0.9
79.01875	1.3
83.01374	1.7
85.02952	3.8
87.00886	1.7
89.02444	3.7
93.84891	0.7
95.01401	3.6
96.66684	0.8
96.95978	1.6
97.02937	1.1
101.02469	4.1
107.01391	13.7
109.02972	1.1
111.00884	3.4
113.02473	3.6
116.89279	0.7
119.03477	1.9
121.02946	1.6
123.00879	15.9
123.04447	0.9
124.01667	2.5
125.02444	72.9
126.02784	1.5
127.00359	1.2
135.02290	0.7
136.98781	1.8
137.02422	1.6
139.00360	7.7
139.04028	1.1
140.01129	6.2
141.01918	1.9
147.39949	0.8
147.50983	0.7
151.00385	11.0
151.03986	1.1
153.01883	2.1
154.99870	0.9
157.15202	0.7
165.01918	1.7
166.06352	7.6
167.03468	2.1
167.07079	2.1
168.00638	15.0
169.01414	93.5
170.01753	2.7
171.10284	1.4
176.14862	0.8
177.02037	0.9
179.03444	0.8
181.01434	2.5
181.08673	2.4
182.02240	0.9
183.02983	2.3
186.56024	1.0
193.01418	5.1
195.02911	1.0
195.06766	0.8
211.00420	1.5
211.02466	29.8
212.02809	1.4
223.02490	0.8
241.03528	1.8
253.03418	1.7
253.91264	1.0
271.04602	19.8
272.04935	1.4
305.16177	0.9
313.05569	5.8
316.02176	3.6
317.03293	0.9
331.06723	1.8
387.09286	1.5
397.13449	0.9
417.09692	14.7
417.14560	3.6
418.10168	1.2
423.00327	0.9
423.05460	5.1
479.08289	3.3
483.07886	5.8
521.21112	0.8
569.11456	100.0
569.18823	35.7
570.11774	10.4
570.19196	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	569.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02517	0.9
59.01367	5.3
61.54540	0.8
61.98820	1.0
67.01924	1.0
69.03460	0.9
70.05740	0.9
71.01384	5.2
71.23669	1.7
72.99347	1.0
73.02925	1.8
81.03438	1.5
83.01377	1.1
85.02966	2.8
87.00876	1.0
89.02448	3.1
95.01385	1.9
96.96049	1.5
97.02934	2.2
99.00885	1.3
101.02447	3.3
107.01401	9.5
111.00877	1.8
113.02448	3.6
119.03451	1.0
121.02968	1.6
121.19820	0.8
123.00877	12.3
123.04531	1.0
124.01669	3.7
125.02449	64.4
126.02777	1.7
127.00355	1.3
136.98816	1.8
137.02460	1.8
139.00357	5.7
139.04002	1.1
140.01141	5.1
141.01921	1.8
149.02403	1.1
149.12102	1.0
151.00372	7.8
152.00972	0.8
156.08058	1.0
165.01933	1.6
166.06354	3.8
166.99884	1.0
167.03508	1.7
168.00627	13.0
169.01427	88.6
170.01772	3.2
181.01459	1.8
181.08737	1.7
183.03011	2.5
193.01411	3.1
211.02467	26.8
225.03966	1.1
241.03592	1.9
253.03505	2.0
271.01828	1.5
271.04602	22.6
272.04788	0.9
313.05649	4.7
316.02206	3.4
317.02985	1.4
331.06793	3.1
334.64218	0.8
360.72952	0.9
417.09705	15.7
417.14853	2.7
422.30734	1.0
423.05887	5.0
450.94629	1.0
479.08331	2.9
483.08041	8.6
532.45691	1.0
569.11487	100.0
569.18854	22.1
570.11285	7.7
570.19019	2.2
599.90546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95076	0.2
57.03452	0.3
59.01381	1.4
59.16041	0.2
61.98828	100.0
69.32117	1.6
71.01388	0.7
72.99358	0.2
73.02943	0.3
75.00884	0.2
78.95910	0.6
85.02945	0.4
85.75254	0.2
93.03463	0.3
96.96043	0.4
101.02473	0.3
109.02990	0.2
112.59663	0.2
113.02445	0.6
123.00896	0.3
125.02430	2.2
126.02779	0.3
137.02379	0.2
139.31841	0.2
145.02919	0.2
153.02101	0.2
165.01949	0.2
165.58093	0.2
168.00647	0.2
169.01425	3.0
171.10295	0.2
193.98781	0.2
243.19684	0.7
334.53342	0.2
385.12955	0.2
568.24481	1.2
569.25946	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82100	0.7
53.21121	0.6
57.03419	0.6
59.01388	4.4
61.98820	2.5
63.76456	0.6
65.00306	0.9
67.01881	1.4
68.99799	0.6
69.03452	1.2
71.01379	5.3
71.55067	0.8
72.99288	1.5
73.02955	1.3
73.15388	0.5
75.00871	3.4
79.01892	1.0
81.03423	0.8
83.01378	1.7
85.02936	2.2
87.00864	1.2
89.02441	1.1
93.03539	0.7
95.01404	2.9
96.96004	2.1
97.02911	1.3
101.02434	2.4
102.19574	0.6
107.01416	3.8
110.00093	0.8
111.00893	4.7
113.02411	2.2
122.70538	0.6
123.00898	11.8
124.01649	1.8
125.02454	17.2
126.02773	1.7
127.00367	1.1
134.50360	0.6
136.98820	3.6
139.00392	6.9
140.01178	6.8
141.01955	1.2
151.00345	7.7
151.04100	0.7
153.01877	1.0
163.89096	0.6
167.03448	1.0
168.00647	16.5
168.99985	1.3
169.01428	23.9
170.01712	0.8
171.01834	1.3
177.04059	1.0
191.05487	0.7
198.99992	1.1
207.29161	0.6
211.02464	3.2
212.96179	0.6
234.15761	0.7
237.07185	0.6
242.97002	0.6
243.03096	0.7
253.05183	1.0
271.02234	1.3
271.04785	0.9
297.06180	4.1
300.02710	1.2
313.05682	2.0
329.05042	0.7
375.27454	1.7
413.14279	0.9
414.14090	0.9
415.15225	1.8
497.20377	2.6
538.21478	0.7
567.16418	7.5
567.24438	100.0
568.24866	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	567.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27679	0.8
59.01384	7.2
61.98833	1.0
67.01874	1.7
69.39088	8.7
71.01385	6.0
72.99286	0.9
75.00869	2.2
78.69173	0.9
79.95731	1.7
80.63275	0.9
83.01429	1.3
85.02970	7.1
87.00879	1.4
93.03467	1.3
95.01425	1.4
95.82295	0.9
96.96011	45.8
98.19955	2.2
99.00877	1.2
101.02444	3.7
101.04282	0.9
107.01390	3.6
111.00877	2.9
113.02445	3.4
123.00009	1.1
123.00886	18.1
125.02458	17.1
127.00323	1.2
129.01869	1.4
136.98796	2.2
137.02443	2.9
139.00401	5.6
140.01172	4.8
141.01962	2.2
151.00389	13.8
163.04001	1.2
168.00623	3.1
169.00003	1.4
169.01437	22.0
191.01917	1.7
191.05586	1.7
208.38559	1.0
274.94687	1.0
313.05646	2.0
415.16415	24.2
424.78076	1.1
450.41101	1.1
469.20569	1.5
487.21838	87.6
488.22122	8.9
567.17444	100.0
567.25146	5.9
568.17889	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	567.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48666	0.8
55.04519	0.7
55.14898	0.8
55.92656	0.8
57.03442	1.7
59.01381	10.5
61.98536	1.3
61.98832	18.7
67.01890	1.2
68.99825	1.2
69.03443	1.8
71.01402	5.1
71.26830	0.8
72.99296	1.9
73.02935	2.3
75.00849	1.6
78.96871	0.9
79.01902	1.4
81.03430	0.9
81.39452	0.8
83.01388	2.7
85.02959	4.2
87.00858	0.8
89.02428	1.4
93.03470	1.0
95.01381	3.8
96.95996	3.7
97.02928	1.4
98.20674	2.9
99.00835	1.6
101.02431	3.5
107.01400	13.2
109.02962	1.0
110.34222	0.8
111.00885	4.6
113.02412	3.1
116.92863	1.1
119.05013	1.3
123.00894	15.7
123.04533	6.2
124.01636	2.0
125.02451	48.6
127.00377	1.8
135.04533	0.9
136.98775	2.4
137.02449	1.6
139.00388	7.8
140.01176	5.9
141.01965	1.8
145.02922	1.2
151.00389	16.0
151.03961	1.3
153.01961	1.1
154.99767	0.9
161.02457	1.5
163.04024	1.9
165.05476	1.0
166.02679	1.0
166.99860	0.7
167.03488	19.0
168.00665	9.6
169.01434	56.7
170.01762	1.7
180.32063	1.0
181.04993	1.3
191.03508	5.0
205.01291	0.8
209.04492	1.3
215.61855	1.0
229.81064	1.1
271.04575	1.1
313.05597	2.3
317.02740	0.9
329.08701	6.9
369.22693	1.5
397.15033	1.7
415.16074	48.5
416.16318	3.0
417.67413	0.8
507.35690	1.0
567.16986	100.0
567.24628	21.0
568.17316	11.5
568.25031	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	567.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.7
55.82160	1.2
56.35060	1.1
57.03444	5.5
58.00604	1.4
59.01382	50.7
64.22115	1.3
67.01879	1.8
69.03448	3.2
71.01380	20.7
71.54694	2.0
72.99319	6.3
73.02937	7.8
75.00878	26.0
79.01879	1.7
83.01394	4.1
83.05040	1.4
85.02959	24.9
87.00864	10.5
89.02453	7.6
93.03464	2.5
95.01395	5.6
96.96005	2.2
97.02964	2.4
99.00884	9.1
99.04521	1.3
101.02443	10.3
104.26147	1.2
107.01391	12.8
111.00880	4.6
111.04539	2.6
113.02451	23.1
115.00375	2.7
117.01932	1.6
119.03475	3.3
123.00885	14.6
124.01645	2.7
125.02453	56.2
125.06054	1.4
126.02784	1.7
127.00400	1.4
129.49532	1.3
135.04503	1.3
136.07773	1.3
137.02466	3.0
137.09656	1.3
138.97066	1.6
139.00386	5.3
140.01158	6.6
141.01939	1.7
151.00380	12.0
153.01991	1.6
153.09236	1.8
155.03523	3.7
155.10796	3.4
159.02988	1.3
165.04111	1.6
168.00645	6.7
169.01428	71.1
170.01753	2.4
173.04510	6.7
175.02478	1.8
191.05551	2.0
201.11307	2.3
209.11909	2.9
211.02509	4.4
222.01704	1.5
225.14842	1.9
227.12839	15.9
241.10768	2.4
243.12460	1.7
267.07217	7.0
267.10892	1.7
269.13904	4.8
271.04623	4.1
281.09326	3.3
287.15021	26.0
313.05676	4.0
325.05548	3.2
387.23639	1.6
393.12064	1.8
397.11252	1.6
415.12302	36.6
416.12741	3.6
419.18964	9.0
430.13397	2.2
435.18491	8.6
449.16513	2.3
463.08725	1.7
483.07977	1.6
523.27985	1.9
549.16644	3.2
549.28864	3.3
567.13593	100.0
567.26874	61.5
568.14038	9.5
568.26404	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13307	0.4
54.04881	0.4
55.19027	0.5
56.40608	0.4
57.03444	1.1
59.01377	6.5
61.45604	0.4
61.98827	7.4
65.00332	1.9
69.26639	4.8
71.01385	2.5
72.99319	1.9
73.02948	1.4
78.95914	0.6
83.01399	1.5
83.12071	0.5
85.02951	2.7
87.00877	1.3
89.02470	1.0
93.03478	1.0
95.01398	1.5
96.96017	2.1
99.00872	0.6
101.02437	1.4
104.72511	0.5
107.01378	4.5
110.00129	0.5
111.00893	1.1
113.02428	2.3
116.58212	0.5
116.92900	0.5
117.03503	1.5
119.05029	2.2
121.02952	6.9
123.00864	3.5
124.01579	0.7
125.02451	9.8
133.02957	0.6
136.98773	0.6
137.02457	1.4
139.00385	1.5
140.01160	0.8
143.14406	0.5
145.02950	5.4
148.01711	0.9
149.02431	10.6
150.03195	0.6
151.00374	8.5
151.03967	0.6
153.01973	0.6
157.20259	0.4
161.02538	0.7
161.06070	1.1
163.04015	3.2
165.01906	1.2
167.03532	0.8
168.00647	2.2
169.01424	9.8
171.03021	0.6
177.01926	0.6
178.99904	0.9
187.03951	0.8
189.04027	0.8
190.02647	0.6
191.03459	2.0
199.04018	0.8
203.03496	0.7
205.05115	2.0
211.02359	0.8
211.04147	0.5
215.03503	2.0
227.03535	2.0
229.05179	0.7
231.63959	0.5
235.06079	2.5
239.03523	1.0
243.02980	2.5
253.05043	1.4
255.02956	4.9
256.03540	0.6
257.04697	0.8
265.07114	5.1
269.04666	0.9
271.02472	11.2
271.05420	0.8
272.03177	8.0
272.13071	0.5
273.03888	0.6
283.02481	1.1
285.03848	0.6
297.03952	2.5
299.01984	1.2
299.05270	0.7
299.99982	0.6
300.02737	42.5
301.03516	100.0
302.03827	5.2
313.05740	1.0
325.09235	2.5
327.05124	0.7
337.07452	0.9
343.04745	0.8
369.22650	1.7
400.23865	0.6
445.07828	5.1
447.09543	0.9
523.24524	0.9
531.21747	0.7
567.11340	76.0
567.24390	17.3
568.11639	9.1
568.24561	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.1
59.01385	1.2
61.98830	100.0
65.37881	0.1
70.38818	0.5
71.01388	0.6
73.02947	0.2
78.95943	0.2
85.02963	0.3
89.02453	0.2
93.03461	0.2
96.96006	0.4
101.02464	0.3
107.01413	0.2
108.56583	0.2
109.20940	0.2
113.02463	0.3
121.02955	0.9
123.00907	0.2
123.04496	0.2
125.02448	1.1
126.02753	0.2
134.13875	0.1
151.00432	0.4
152.99692	0.2
161.04639	0.2
167.03522	0.5
168.00737	0.2
169.01401	1.3
203.03505	0.2
214.02641	0.3
243.03056	0.2
259.02570	0.4
270.01761	0.3
271.02509	1.6
287.01938	1.2
313.05707	0.2
315.01627	0.7
316.02225	3.9
316.05597	0.2
344.28946	0.2
445.08078	0.2
506.34167	0.3
566.23889	0.6
567.11700	2.1
567.23828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.84584	0.4
71.01187	0.9
76.68745	0.4
78.95909	0.6
94.87453	0.4
152.99542	0.4
196.50499	0.4
204.99107	0.4
235.24402	0.4
245.04303	0.9
253.21846	0.5
281.24857	1.6
481.25800	1.1
567.28650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30901	0.8
59.01380	63.6
61.98831	100.0
69.03435	1.2
71.01392	8.5
72.99311	2.1
73.02946	2.9
78.95911	1.2
82.43600	0.9
83.01391	2.6
85.02958	3.9
86.62484	0.9
87.00885	1.3
89.02444	2.6
95.01363	2.3
96.95998	1.8
101.02454	4.9
101.06069	1.1
107.01369	3.4
111.00852	1.4
113.02443	4.6
119.03447	1.3
121.02969	1.4
123.00874	4.0
125.02439	13.8
126.02763	2.2
139.00363	2.5
140.01137	1.6
151.00339	3.3
151.67067	1.0
161.04570	2.1
168.00624	3.9
169.01421	15.3
170.01736	4.4
197.04553	1.4
198.99940	2.0
229.97034	1.0
253.05042	2.3
271.04630	1.2
300.02777	3.8
301.03375	2.1
301.24225	0.9
313.05573	1.8
327.46216	1.2
344.09155	1.1
387.73251	1.3
399.23901	9.6
413.14581	2.9
414.14972	8.4
417.24884	11.0
418.24973	1.1
459.25894	4.6
566.07721	1.8
566.15942	24.5
566.23560	4.1
567.10876	12.0
567.24371	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	566.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84464	1.1
54.96189	1.1
59.01379	63.9
59.02743	1.2
61.98830	100.0
64.09042	1.2
69.22504	2.4
69.22822	11.1
71.01378	10.6
72.99300	3.0
73.02930	1.8
82.00426	1.2
83.01391	1.9
85.02934	6.1
86.95676	1.3
87.00874	2.7
89.02444	4.2
95.01390	1.8
96.95992	2.3
99.00879	1.6
101.02429	3.6
107.01382	3.9
111.00870	2.5
113.02425	3.4
123.00882	6.8
125.02442	17.4
126.02750	3.0
127.00430	1.2
136.98705	1.6
139.00381	3.0
140.01102	2.6
145.05032	1.6
151.00320	4.0
168.00642	4.7
169.01434	19.7
170.01727	4.9
189.04129	2.1
190.04391	1.2
198.99942	2.9
211.02464	1.7
212.46135	1.0
225.14474	1.3
233.64784	1.0
234.83205	1.2
247.23915	1.1
253.05185	2.6
295.04306	1.1
300.02478	2.3
301.03607	1.7
344.08521	1.4
356.58115	1.3
366.32791	1.2
367.28387	1.5
399.24069	10.3
410.94864	1.2
413.14331	3.2
414.14883	9.0
415.15240	1.3
417.24945	11.8
459.25995	4.8
528.31750	1.5
566.15808	24.2
566.23315	7.0
566.31830	2.0
567.10919	15.2
567.24255	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	565.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63704	28.0
56.70464	32.6
61.98825	100.0
71.57285	29.1
71.82312	26.9
74.91879	28.1
77.78698	30.3
78.95857	33.4
96.95956	37.2
175.00058	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	565.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00022	37.5
61.98813	100.0
70.73869	82.0
70.74208	58.9
80.05299	41.7
89.81533	36.1
125.02396	67.4
208.03015	37.9
213.22716	39.1
242.56946	41.3
257.23990	39.8
361.44534	41.1
363.74820	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.6
57.03444	0.8
59.01377	5.9
61.98828	9.3
62.96402	1.0
70.87173	0.5
71.01376	2.4
71.52078	0.7
73.02946	0.9
78.95902	100.0
85.02946	2.2
89.02447	0.8
93.03442	1.0
95.01364	0.6
95.96213	1.3
96.95991	2.1
96.96956	24.1
101.02464	1.2
108.08172	0.9
109.02978	1.1
111.95660	1.0
113.02447	2.5
119.05075	0.6
120.96980	2.9
123.00903	1.7
125.02449	7.1
134.03755	0.9
137.02460	1.0
138.98022	9.7
139.00352	0.6
140.01160	0.5
145.02914	0.9
149.06053	0.9
151.00348	1.3
152.07143	1.0
161.02377	0.9
167.03488	1.2
168.00587	0.8
169.01430	7.8
188.90691	0.5
193.01543	0.5
193.05144	1.1
209.08203	0.9
241.01180	10.6
313.05643	2.2
328.05795	0.6
357.26474	0.6
403.22592	9.6
413.21472	0.7
445.23581	6.2
505.34116	0.9
547.26727	6.5
548.27167	0.9
565.28015	48.2
566.28516	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	565.2135
Annotation	Chinikomycin B
Peak:m/z	Relative Intensity
56.18373	0.9
57.03432	3.3
58.00584	1.6
59.01383	28.2
61.98820	1.8
67.01882	1.0
68.99808	1.4
69.03452	1.3
69.79839	5.1
70.32824	0.8
71.01385	25.3
72.99317	5.4
73.02947	4.3
75.00880	11.1
83.01374	1.4
85.02954	20.9
85.47673	0.9
87.00877	7.9
89.02448	14.3
93.03439	7.1
95.01390	4.7
96.96013	1.6
98.20678	1.0
99.00885	8.2
101.02432	6.1
103.00365	1.2
111.00890	13.5
111.04542	2.6
113.02448	16.2
115.00385	1.9
117.01976	1.5
119.03473	1.0
121.10253	1.4
122.22072	0.8
124.83329	0.9
125.02447	6.5
129.01941	3.4
131.03511	2.7
137.02406	1.4
150.03217	1.4
151.03995	1.6
154.99860	1.8
161.02390	1.0
161.04698	1.2
165.05539	1.6
165.09187	1.5
167.03461	1.1
167.10802	2.8
169.01389	8.9
173.00887	4.9
173.04538	12.3
175.02443	2.4
179.03432	1.0
190.05095	1.9
191.05586	2.6
195.06483	1.0
196.48923	1.0
205.07159	1.4
211.02480	1.3
249.04117	1.1
249.06203	11.3
250.06445	1.2
267.07245	3.3
271.04520	2.4
283.10913	3.2
309.08868	1.7
315.14435	2.2
316.02103	1.0
327.09705	2.2
371.08771	1.4
391.13754	2.3
403.11395	11.1
404.11438	1.3
417.17737	2.3
502.20340	2.2
517.13123	1.1
521.09259	1.2
547.19733	1.4
565.21295	100.0
565.28540	8.6
566.21527	8.7
566.29065	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92770	0.6
57.03451	0.8
58.31819	0.6
59.01383	3.8
69.03459	0.9
71.01385	2.9
72.99306	0.9
73.02948	1.1
79.01871	0.7
81.05534	0.6
83.01389	1.9
85.02958	5.1
95.01398	1.9
97.02946	1.4
101.02433	2.4
107.01379	7.8
111.00918	3.0
113.02433	1.4
113.69011	0.7
123.00893	10.1
124.01674	2.2
125.02451	32.0
127.00407	1.3
129.01849	0.8
135.04602	0.8
136.98796	1.5
139.00375	4.5
140.01129	4.2
141.01898	0.7
151.00357	8.6
157.08569	0.7
165.01891	0.7
168.00620	5.4
169.01424	38.5
170.01764	0.8
170.45087	0.7
189.00430	0.7
191.01973	2.1
211.02458	0.9
221.84274	0.7
303.73712	0.6
313.05533	1.9
371.51062	0.7
375.27444	2.8
395.13486	1.1
413.14493	47.5
414.14670	3.2
505.33575	2.1
565.15570	100.0
566.16064	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	565.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40380	0.5
58.59492	0.3
59.01379	3.8
61.98818	0.6
66.24051	0.4
67.01881	1.1
69.03450	1.1
69.34791	0.5
69.35176	3.3
71.01379	2.4
72.99291	1.7
79.01888	1.1
81.03439	0.5
83.01376	0.8
85.02945	1.7
89.02435	1.7
92.13020	0.4
95.01393	2.0
97.02924	1.5
98.19891	0.8
99.00829	0.4
101.02441	2.4
107.01384	11.8
110.00104	0.7
111.00900	3.0
113.02436	1.8
122.99994	0.7
123.00880	14.2
124.01670	2.0
125.02443	37.0
126.02740	0.5
127.00324	1.3
135.04527	0.4
136.98814	2.0
139.00374	5.7
140.01184	4.0
141.01903	1.4
151.00363	10.7
151.03914	0.4
153.01903	0.5
161.07730	0.5
163.03989	0.5
168.00639	7.6
169.01413	42.6
170.01794	0.8
179.03433	0.4
181.05087	0.7
189.03951	0.5
195.15791	0.4
211.02473	1.3
271.04456	1.2
313.05475	2.5
343.08191	1.3
370.35565	0.5
395.13663	1.0
400.39539	0.4
413.14499	43.5
414.14911	3.3
502.20154	0.9
507.68680	0.5
565.15570	100.0
566.15875	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	565.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03458	6.7
58.78157	1.0
59.01381	18.5
61.98811	5.1
62.86568	1.2
64.44777	1.0
69.03435	3.6
70.52785	3.8
71.01381	12.1
72.99294	4.4
73.02926	3.2
75.00850	3.2
81.03462	1.4
83.01380	4.1
84.02172	1.8
85.02950	48.2
86.03265	1.3
87.00889	6.1
89.02428	2.9
95.01355	3.1
96.96002	2.2
97.02924	2.7
99.00884	2.4
101.02415	3.5
103.00341	1.3
107.01375	10.8
111.00872	6.6
111.04494	1.4
113.02453	7.2
115.00421	1.2
121.02946	1.7
121.72250	1.0
123.00888	8.8
124.01629	1.9
125.02449	84.4
126.02753	2.2
127.00298	1.3
129.01907	8.2
136.98750	1.9
137.02393	3.9
137.09741	1.2
139.00389	2.7
139.03986	1.5
140.01111	2.7
141.01968	1.2
143.03439	3.7
147.03001	7.0
148.04015	3.7
149.04424	1.9
151.00334	7.6
151.04021	2.0
154.01443	2.4
155.10692	1.7
161.02446	1.9
165.01846	1.6
166.05040	1.7
167.03386	2.0
168.00580	5.0
169.01421	100.0
170.01729	3.0
173.00868	2.4
175.03795	1.1
177.01897	1.9
181.01387	2.0
189.04051	1.4
190.02667	1.8
191.01974	25.9
193.01349	1.5
197.04485	3.2
211.02475	7.5
239.05522	3.5
239.57646	1.2
271.04547	4.7
295.04599	2.3
295.10635	2.7
296.11105	4.4
299.07620	1.7
313.05640	21.0
321.08890	1.3
322.09070	2.1
339.09534	1.6
346.11160	2.4
355.25070	1.2
373.25873	5.1
375.27487	1.4
391.27112	2.4
413.10776	7.5
465.06799	24.1
466.06824	1.8
483.07657	1.7
489.15039	7.1
533.14117	6.4
547.27380	2.1
565.11884	70.2
565.22272	13.3
565.29266	7.7
566.12219	8.4
566.21167	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
60.93399	0.3
61.46013	0.3
62.96415	0.8
63.01318	0.3
71.51332	0.3
71.51752	0.4
78.95905	100.0
79.44254	0.3
85.02953	1.3
87.00881	2.0
89.02473	0.4
96.96066	2.1
96.96963	36.6
97.02975	0.6
106.84138	0.3
111.02007	7.9
113.02442	1.2
115.44203	0.3
120.96989	1.8
125.02467	0.5
127.20657	0.3
127.36611	0.3
138.98004	2.1
141.51131	0.4
150.98012	3.7
158.91226	0.8
158.92540	15.3
162.97961	0.5
164.03476	0.4
169.01413	0.4
174.98027	1.0
175.02512	0.7
176.93544	1.2
192.99062	1.3
211.00133	4.4
212.40173	0.4
237.55063	0.4
241.01201	7.9
242.01553	0.4
261.55865	0.4
272.95764	3.9
280.02286	1.9
291.02039	0.4
305.01654	1.0
320.97852	2.7
323.02856	57.5
324.03381	2.4
381.10492	0.4
384.98428	3.9
402.99475	1.7
565.04126	14.6
565.11127	1.9
566.05127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
61.98831	100.0
62.60202	0.6
62.79168	0.7
65.94971	0.7
71.54731	0.9
78.95876	1.1
83.50100	0.6
89.83083	0.6
96.40749	0.7
112.02213	0.7
125.02467	1.6
128.52823	0.6
152.99622	1.4
169.01434	1.2
247.75182	0.6
307.77747	0.7
351.84009	0.7
368.95050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0473
Annotation	Udpgal
Peak:m/z	Relative Intensity
51.03114	0.5
57.50441	0.4
59.01381	0.7
59.48270	0.4
62.96436	0.8
66.86194	0.5
70.17905	1.8
70.18274	1.0
71.01381	0.8
78.95905	100.0
80.25097	0.5
83.18922	0.4
85.02944	1.7
87.00880	1.4
96.96961	35.8
97.02951	0.9
105.97011	0.5
108.94859	0.6
111.02013	7.9
113.02451	0.6
120.96972	2.2
127.04019	0.5
138.98018	3.2
145.71346	0.5
150.98033	3.2
158.92551	13.5
162.97913	0.7
174.97931	1.3
175.02409	0.6
176.93584	1.0
192.99059	0.9
211.00125	4.8
217.03471	0.7
224.46275	0.6
240.99013	0.7
241.01210	8.1
272.95773	4.9
280.02176	1.6
305.01740	1.4
320.97873	2.3
323.02835	57.2
324.03036	1.8
384.98413	4.9
385.77328	0.5
402.99109	1.6
547.80463	0.6
552.03088	0.7
565.04169	17.8
565.10205	1.8
566.04449	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
57.03436	2.5
59.01384	19.0
60.99306	1.6
61.98533	1.1
61.98829	16.6
64.68994	1.0
68.99797	1.3
69.03465	1.8
69.09541	0.9
69.20760	7.4
69.21185	3.2
71.01383	12.2
72.99291	3.3
73.02940	4.0
75.00855	1.6
83.01383	2.3
84.20644	0.9
85.02946	9.9
87.00882	2.2
88.98819	9.5
89.02433	5.4
92.39677	0.9
93.03480	1.5
95.01391	3.6
96.96017	2.3
97.02943	1.0
99.00901	1.5
101.02452	6.6
107.01384	4.6
111.00888	3.0
113.02450	6.7
123.00895	12.8
124.01708	1.2
125.02450	24.1
127.00383	1.7
135.04521	1.7
136.98770	1.3
137.02451	3.6
139.00409	4.8
140.01167	3.0
141.01866	1.6
151.00357	8.5
167.03488	1.8
168.00671	5.0
169.01419	28.6
170.01845	1.2
171.10280	2.7
172.10498	1.2
189.04028	3.0
211.02435	4.2
211.13330	1.6
253.09280	4.6
254.09764	1.3
271.04575	5.5
297.06168	1.1
313.05560	3.1
327.21838	7.3
328.22086	9.3
373.25876	4.3
374.26352	2.0
375.27557	6.6
413.14313	2.0
424.77490	1.1
501.19775	100.0
502.20209	10.5
503.32285	2.8
504.32245	4.1
522.33899	1.3
549.19415	0.9
565.15436	3.3
565.24261	5.2
565.32465	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	564.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59431	1.2
59.01377	8.5
59.75667	1.2
61.98825	10.0
62.79072	1.1
63.86891	1.1
69.03427	1.3
71.01373	5.5
71.55172	1.4
72.99303	1.3
73.02937	2.2
75.00873	1.8
79.95702	2.1
83.01403	1.3
83.05031	1.5
85.02931	5.2
87.00840	1.5
89.02447	3.8
95.01401	1.4
95.83324	1.2
96.96008	18.6
98.95591	3.2
99.92591	1.3
101.02451	2.2
107.01358	2.8
111.00880	1.9
113.02476	1.9
123.00910	11.2
125.02447	23.6
139.00369	4.7
140.01172	2.8
141.01959	1.5
151.00391	10.5
161.02454	1.7
161.11162	1.2
165.04001	1.6
168.00604	4.8
169.01418	34.0
196.53363	1.3
211.02454	5.2
242.66478	1.6
255.02899	3.2
259.02753	1.8
271.02298	5.3
271.04623	5.5
299.90277	1.3
300.02753	10.9
305.06644	1.5
313.05759	2.7
358.92899	1.6
399.94617	2.0
417.21301	1.6
439.10748	10.3
440.10629	2.3
501.19772	100.0
502.19946	10.1
537.13507	1.6
546.00220	3.6
565.11938	5.4
565.22424	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	563.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92358	0.7
55.01872	2.1
57.03446	4.4
58.00584	0.8
59.01378	28.3
59.98886	0.7
60.99303	1.1
61.98825	5.7
64.95818	0.7
67.01899	1.0
68.99807	0.7
69.03447	3.3
69.19897	0.7
69.20221	7.2
71.01381	15.4
72.00201	0.7
72.99323	4.4
73.02937	4.1
75.00886	3.7
83.01374	2.4
84.02167	1.0
85.02947	21.5
87.00869	3.4
88.98796	6.1
89.02451	8.5
95.01397	1.6
96.95995	4.3
97.02946	2.0
97.06593	2.6
98.95615	1.3
99.00858	2.5
99.92565	1.3
101.02437	10.5
101.15858	0.7
107.01381	1.0
109.02991	0.8
111.00866	1.0
113.02442	10.7
115.92059	1.8
116.92875	5.3
119.03489	2.6
119.05028	1.5
119.08677	1.0
123.00867	0.8
123.08082	0.8
125.02436	6.6
125.09716	2.0
126.02786	0.8
127.11273	2.1
127.57704	0.8
129.01894	1.4
137.09692	2.0
137.54001	0.7
143.03447	1.5
145.02965	2.3
146.36710	0.7
147.02956	0.9
149.04475	1.1
151.00429	1.1
155.10759	1.5
161.04510	3.4
165.12863	1.2
167.03488	2.3
167.14365	0.8
169.01430	6.0
170.01689	0.8
171.03001	1.0
171.10263	29.7
173.00932	0.8
173.04543	0.8
175.04037	1.1
177.01927	0.9
179.05479	1.7
183.13899	2.8
185.11763	1.3
187.09750	2.8
189.00310	1.1
191.01906	3.1
191.03471	0.8
201.11311	1.2
209.11963	1.1
211.13385	10.8
221.11755	1.2
227.12891	0.9
229.14397	8.5
239.12862	1.4
249.06152	1.2
253.09273	32.7
254.09602	0.8
267.07208	0.8
291.19623	2.9
309.20786	1.7
327.21744	100.0
328.22205	5.6
353.23453	0.9
356.65118	1.1
359.28220	1.0
363.16574	1.4
371.24387	2.3
373.25861	6.5
380.53415	0.8
478.11307	0.8
491.28537	1.6
503.32495	6.9
518.72925	0.8
521.33423	2.0
562.71008	2.0
563.13586	3.7
563.27124	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	563.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87027	16.7
53.09181	17.6
59.01369	38.8
61.98814	51.5
70.05244	19.3
71.55218	23.4
85.02921	20.7
96.96025	22.2
125.02473	21.0
140.66098	19.5
166.74899	18.2
196.01767	18.6
233.88287	17.8
253.09325	26.9
291.19818	100.0
291.35336	19.7
338.25720	17.6
527.28992	31.7
538.59833	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
57.03437	3.8
59.01381	55.6
59.11680	1.1
61.98825	5.6
63.08356	1.4
63.08727	1.5
69.03429	1.6
71.01385	32.9
72.99301	4.5
73.02953	12.0
75.00866	4.5
83.01386	3.7
85.02447	2.0
85.02948	25.2
87.00875	4.0
89.02448	48.6
95.01416	2.4
95.04984	2.3
96.96016	6.4
97.02925	2.2
97.06594	5.2
99.00880	14.8
99.04505	2.0
101.02446	26.1
111.00889	4.2
113.02449	13.3
114.68071	1.3
115.96118	1.4
117.03420	2.0
119.03485	3.8
123.00906	1.5
125.02454	10.5
125.09743	1.7
128.03444	1.4
129.01967	3.2
131.03490	10.1
132.83902	1.5
137.02411	2.6
143.03448	2.7
145.02921	3.6
147.03073	2.5
149.04556	32.7
152.01056	1.6
155.10751	2.8
161.04523	6.8
163.04018	1.8
169.01349	6.3
171.10243	6.6
173.00905	1.5
177.01831	1.8
183.13864	4.5
185.11795	2.3
189.04012	1.5
191.01978	5.8
191.05612	5.8
209.11812	3.0
211.13362	23.5
221.06622	3.5
221.11790	3.4
227.12929	2.4
229.14476	13.9
230.09599	1.2
239.12798	2.4
251.07704	3.2
253.09265	38.6
255.02977	2.4
257.17673	1.5
258.22046	1.2
284.03125	1.9
291.19669	4.3
309.20538	2.1
327.21759	100.0
328.22021	5.8
371.24237	3.6
373.25656	7.7
389.25162	1.9
401.21704	2.2
491.28995	1.6
503.32080	7.2
521.33173	3.8
563.26233	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	563.1404
Annotation	Kaempferol 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
51.25643	1.0
51.61767	0.9
57.03427	1.1
59.01380	10.9
60.62950	1.1
63.17203	1.0
71.01373	4.6
72.99293	5.5
73.02937	4.1
75.00838	1.3
83.01386	2.2
85.02945	6.6
87.00875	1.4
87.46449	1.0
89.02460	2.6
92.33653	1.1
95.01408	1.0
98.19862	2.5
101.02429	4.6
111.00861	1.5
113.02435	6.9
125.02395	1.5
132.02153	1.4
135.00793	1.0
135.22601	1.0
145.05054	2.1
151.00380	2.5
161.04529	1.5
163.00305	1.1
169.01390	2.0
171.03014	2.3
172.05373	1.4
189.04005	2.1
205.08879	1.1
225.14804	1.9
227.03474	34.2
228.03854	2.0
229.05075	1.8
244.94508	1.1
255.02982	64.0
256.03375	5.9
257.04468	1.7
283.02280	2.1
284.03250	100.0
285.03860	15.3
329.16019	1.1
341.13858	4.6
389.25790	1.2
402.80661	1.0
413.08588	1.9
503.19376	2.7
521.20209	1.1
563.14032	82.6
564.14337	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	563.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13607	13.8
50.58372	14.7
51.12682	16.4
59.01377	32.2
61.98814	45.4
67.12531	15.2
69.21680	16.3
71.01379	17.7
88.56829	18.0
95.87443	14.9
98.20663	31.9
109.99876	17.1
113.59169	19.0
114.44427	16.7
125.02436	17.8
127.62531	15.7
163.11200	15.2
173.48524	17.7
291.19550	100.0
527.28302	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.6
70.80566	4.7
71.01377	3.7
75.10200	2.2
78.73019	2.1
78.95893	5.0
81.03487	3.0
82.88906	2.5
83.01377	3.4
84.02154	2.5
84.62574	3.0
85.02958	4.3
87.00878	4.2
93.03460	9.3
93.49997	2.4
96.43440	2.4
96.96004	28.6
96.96956	3.6
97.02954	3.3
107.01411	7.5
107.96505	2.8
125.01521	3.0
125.02443	55.3
130.30656	2.7
137.02449	4.7
138.33342	2.7
169.01413	100.0
170.01785	3.3
173.04523	21.2
187.02524	5.3
191.05585	25.9
192.39607	2.2
219.05054	10.9
251.93622	2.6
343.06683	71.2
344.07077	7.6
465.12427	7.0
563.16229	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	563.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51591	2.5
59.01389	4.8
61.42673	2.4
64.67274	2.5
67.83013	3.0
71.01346	3.1
71.06400	3.6
71.06745	4.5
81.03455	3.9
83.01394	2.6
85.02965	8.1
87.00887	4.1
93.03451	7.3
96.96013	29.7
96.96964	4.2
97.03127	2.4
97.37406	2.4
107.01389	6.2
125.02447	58.3
169.01428	100.0
173.04562	23.1
175.05991	3.2
191.05620	26.5
219.05090	10.1
253.01326	3.1
263.72955	2.6
294.43994	2.7
343.06674	74.2
344.06979	6.2
465.12680	12.7
563.16388	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	562.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41005	0.8
61.98828	100.0
65.29499	0.6
76.63042	0.6
98.19835	1.2
149.02502	0.6
154.98888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
78.95927	0.5
86.22555	0.5
98.20658	1.2
100.87309	0.6
105.22092	0.4
106.62820	0.5
118.96469	0.4
150.03476	0.6
165.34470	0.5
276.38882	0.5
306.60477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01522	1.0
59.01373	3.7
61.98830	100.0
67.54206	0.9
69.19110	3.5
69.19537	4.8
71.01397	1.0
83.01363	1.1
89.02447	0.9
96.96008	1.1
97.06571	0.9
98.20611	1.7
101.02418	1.6
125.02500	1.6
125.09743	0.9
150.32184	0.8
162.14188	0.8
169.01390	1.0
185.11688	1.2
209.11766	1.1
246.19382	1.7
289.18130	2.6
290.18427	3.5
307.18958	0.9
308.19537	2.3
337.62463	1.0
446.10898	0.9
571.98401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
57.03452	3.6
58.00591	1.1
58.82312	0.4
59.01380	100.0
60.01719	1.1
61.98830	9.0
66.98638	0.4
68.99838	0.6
69.03466	3.0
71.01380	26.3
71.05009	1.1
72.99322	3.3
73.02943	9.1
74.04445	0.6
75.00873	1.7
80.42933	0.4
81.03454	0.8
83.01386	7.0
83.05041	1.5
85.02951	17.2
85.33726	0.5
87.00884	2.7
87.04513	1.1
89.02444	6.1
93.03460	0.8
95.01398	2.8
96.96012	3.1
97.02961	2.7
97.06615	0.6
99.00880	4.8
101.02443	18.0
101.03098	1.0
109.06569	0.8
111.00864	3.6
112.01676	1.3
113.02454	14.5
113.03252	0.8
113.76821	0.5
115.03977	1.2
119.03490	1.2
123.00916	0.7
124.01658	1.0
125.02448	8.3
125.09726	1.2
127.11333	0.6
129.01967	1.5
137.02438	1.7
137.09639	0.8
139.11285	1.3
141.01939	0.5
141.12914	0.6
143.03535	2.4
145.02930	1.2
151.00311	1.3
151.03993	0.6
151.11261	1.2
153.09230	1.2
154.99887	0.7
157.12347	2.5
159.03018	2.1
159.04672	0.5
160.01648	0.9
161.04584	4.3
163.11287	1.1
165.12866	0.7
167.03476	0.6
168.00645	0.7
169.01428	6.1
169.12308	1.0
171.10275	1.5
173.00946	0.7
175.04007	1.4
179.05513	0.6
181.12334	0.7
183.13934	0.9
187.02509	0.6
187.13403	1.5
189.04041	0.8
193.05080	0.7
197.11819	1.7
199.13377	2.1
201.14937	1.0
209.11795	2.4
211.02426	0.9
211.13365	0.6
215.41104	0.5
227.16551	1.0
235.05902	0.6
253.09325	2.8
261.03809	0.6
265.07217	0.7
271.04666	1.8
289.18301	0.6
297.24448	0.6
307.19226	3.3
309.24359	0.6
313.05704	2.0
316.02158	1.1
317.02982	2.0
318.03384	0.7
325.20215	5.2
327.25388	0.8
330.16800	1.2
339.25394	3.8
347.17108	1.1
348.17734	3.1
355.24948	0.5
357.26474	9.1
371.24353	1.9
373.25949	0.6
375.27786	1.1
429.24930	1.5
441.08340	0.7
441.28412	1.2
447.27216	0.6
453.28348	1.3
465.28635	2.3
471.29651	1.2
483.29681	5.5
498.20712	1.2
501.30692	85.3
502.30963	8.0
519.31726	28.8
520.31976	2.1
543.31476	1.7
561.20056	0.8
561.33203	11.8
562.32886	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
57.03444	6.0
58.00593	1.6
59.01380	67.4
61.98828	15.3
63.93180	1.0
69.03463	7.0
70.72763	2.0
70.73071	1.8
71.01382	27.3
71.05025	1.9
72.99301	5.0
73.02943	7.5
73.83092	1.1
75.00867	2.4
75.56985	1.2
79.70638	1.0
81.03444	2.5
83.01382	5.3
83.05022	4.5
84.02162	1.4
85.02952	15.6
87.00895	3.7
89.02441	12.3
95.01389	4.7
95.05036	1.9
96.96006	7.3
97.02943	4.2
97.06594	2.4
99.00875	5.0
99.04533	3.6
101.02444	20.7
107.01402	1.2
109.02966	2.0
109.06615	2.1
111.00871	3.9
111.08167	1.8
112.05325	2.4
112.18526	1.0
113.02450	14.4
115.07610	2.3
119.03493	4.0
121.02913	1.6
122.03703	1.4
123.00906	3.0
123.04521	1.3
123.08170	1.4
125.02464	15.5
125.06078	1.8
125.09712	8.3
127.04094	1.2
127.07643	5.3
129.01933	1.9
131.03476	1.3
132.02176	1.4
135.08148	2.7
137.02415	3.7
137.09756	2.3
140.01143	1.6
143.03508	2.0
144.80354	1.2
145.02975	2.0
149.04573	1.4
151.00363	2.9
153.09203	27.5
155.10829	2.5
160.01642	4.0
161.04532	7.3
163.11301	4.8
165.12830	3.5
166.99953	1.3
167.03519	1.4
168.00677	1.8
169.01430	17.7
171.10260	40.9
172.10617	1.6
173.04541	1.6
173.14941	1.0
175.03992	3.7
178.09985	4.4
179.10687	2.0
185.00882	4.1
185.11794	7.3
189.04132	1.8
191.10764	2.7
193.04996	2.0
194.08192	2.5
197.11827	7.8
203.14365	3.4
205.52310	1.2
207.10233	1.7
209.11827	61.4
210.12158	4.1
211.02382	4.4
211.13228	1.7
227.12927	2.2
237.11246	1.4
245.19089	1.4
251.16341	1.2
253.09261	33.2
254.09630	1.3
265.17993	1.4
271.02316	1.0
271.04651	8.4
279.19675	1.7
289.18118	13.8
297.20770	2.1
307.19144	100.0
308.19537	6.6
313.05673	14.2
316.02112	2.1
317.02820	2.0
325.20197	53.2
326.20523	3.3
331.06683	3.0
357.26392	3.5
371.24249	5.0
373.25858	1.5
375.27365	4.7
381.22644	1.8
407.19382	1.6
436.66428	1.2
474.21021	2.6
483.29495	1.8
498.20523	3.5
501.30695	23.7
502.31030	2.1
519.31677	7.6
543.20386	2.4
543.28040	23.4
544.28229	3.7
561.20337	2.7
561.29651	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	561.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20411	2.9
57.03445	4.7
59.01374	30.7
61.98832	100.0
69.41512	17.9
69.41930	7.2
71.01378	8.2
72.23997	2.8
73.81517	3.1
83.01404	3.3
85.02961	4.8
89.02446	6.4
96.96004	6.1
97.06584	5.1
101.02435	9.2
117.38227	2.8
125.02402	3.1
125.09681	7.6
135.66000	3.0
136.60020	2.8
137.09695	3.7
169.01347	4.5
185.11853	6.7
209.11844	14.7
245.19087	13.0
253.09297	9.4
289.18140	22.8
295.26584	3.5
307.19156	12.9
339.25333	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	561.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
57.03434	3.0
58.02573	0.9
59.01379	39.9
61.98817	10.3
63.83169	1.0
69.03455	5.8
69.35618	2.1
69.36024	6.4
70.03795	1.7
71.01381	21.6
71.05014	2.7
72.99306	3.4
73.02944	6.8
75.00875	1.3
81.03439	2.2
83.01382	4.6
83.05019	4.9
85.02950	9.6
87.00858	3.1
89.02444	14.1
93.03467	1.2
95.01369	2.6
95.05001	1.6
96.96003	6.1
97.02942	3.4
97.06606	2.1
98.19830	2.0
99.00874	2.9
99.04496	3.6
101.02441	14.5
107.01359	1.8
108.02172	1.1
109.02956	1.6
109.06567	1.6
111.00861	1.5
112.05293	2.3
113.02434	11.2
115.00430	1.1
115.07606	1.6
119.03482	4.7
119.05057	1.4
123.00859	2.2
125.02435	10.7
125.09741	5.4
127.07642	4.4
135.08141	4.0
137.02454	1.7
137.09688	1.6
139.07651	1.3
141.01855	1.3
143.03482	1.1
149.04494	1.3
151.00308	2.0
153.09206	29.3
155.10762	2.7
160.01598	2.4
161.04568	5.1
163.11252	5.5
165.12785	2.0
168.00587	2.0
169.01419	9.7
171.10263	40.9
172.10658	1.3
175.03964	3.1
178.09949	4.7
181.12338	1.2
185.00847	2.7
185.11792	6.8
189.04044	1.5
191.10834	2.4
194.08119	2.0
197.11850	10.3
203.14410	1.5
209.11812	68.1
210.12122	3.0
211.13347	1.2
227.12785	2.2
230.26773	1.4
238.12067	2.7
245.19164	3.4
253.09245	30.8
263.20175	1.5
265.18015	2.0
271.04562	4.0
279.19437	1.5
289.18063	11.1
297.20566	1.4
297.59296	1.1
307.19138	100.0
308.19296	6.0
313.05731	5.7
325.20160	51.4
325.24048	1.9
326.20358	3.3
331.06403	1.2
357.26117	1.8
371.24310	4.6
373.26025	1.3
375.27426	3.2
407.19189	1.3
420.88437	1.3
457.10345	1.3
474.20874	3.0
499.21823	1.3
501.30634	7.1
519.31232	3.7
543.20496	1.9
543.28107	25.6
544.28394	2.6
561.19836	1.9
561.29675	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	561.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	47.2
61.98526	6.1
61.98834	100.0
62.46545	4.2
69.46546	28.1
71.01376	23.4
77.88315	3.5
83.01389	8.4
88.83311	3.7
89.02451	8.7
96.95993	12.9
97.40848	3.2
101.02426	14.2
105.89891	4.0
113.02402	7.7
119.90832	3.8
125.02445	22.2
125.09703	10.9
133.94615	4.1
161.04565	4.0
163.11255	7.7
169.01341	8.5
171.10260	53.9
177.01888	4.1
185.11761	6.8
191.14389	8.2
209.11862	20.1
211.13277	4.6
225.11317	4.5
227.12895	7.6
245.19049	14.6
253.09207	13.0
289.17990	28.9
307.19077	15.9
339.25143	21.8
434.93161	4.0
561.22626	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	561.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35010	2.9
57.03437	4.4
59.01378	26.4
61.98828	100.0
69.44030	12.2
69.44453	9.2
71.01381	12.5
75.00887	2.8
78.95938	2.8
79.95716	3.2
80.02673	3.9
83.01369	3.1
85.02955	5.5
89.02451	13.5
96.96003	5.7
97.02943	5.3
97.06580	8.6
101.02452	13.5
105.47542	3.0
119.03480	4.8
123.04520	4.7
123.08163	3.6
125.02448	6.0
125.09673	7.5
161.04539	5.2
163.11279	6.5
167.10733	4.4
169.01344	3.2
171.10211	3.8
185.11842	13.4
191.14381	6.3
209.11774	29.2
210.77205	3.2
227.12851	4.4
245.19040	19.7
253.06958	2.9
253.09160	15.3
263.10956	3.2
263.19739	3.1
289.17999	32.9
307.19199	20.6
339.25253	5.8
561.22034	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	561.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21869	0.7
59.01374	3.6
69.28391	0.7
71.01380	1.5
71.10269	0.7
71.55904	0.9
72.44897	0.6
72.99308	1.0
73.02934	0.7
79.95738	4.3
85.02969	1.2
89.02470	1.0
96.96012	100.0
99.00902	0.7
101.02435	0.8
107.01391	1.6
111.00852	1.2
113.02429	1.1
116.92815	0.9
118.99926	0.9
122.25285	0.6
123.00914	1.8
125.02451	5.3
140.01141	0.7
151.00375	2.0
168.00610	0.8
169.01405	6.1
170.01692	0.8
285.11499	0.8
300.02805	1.4
316.02243	1.0
373.11255	7.8
439.10800	2.2
463.09158	3.8
525.12500	16.1
526.12622	1.3
542.16101	1.0
561.25531	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93695	2.3
59.01381	100.0
69.35531	18.2
71.05018	4.0
98.20702	4.4
98.95626	2.5
115.04030	6.0
119.64685	2.5
125.02477	5.3
133.05066	7.3
169.01459	3.8
175.06113	30.5
185.09277	2.7
219.05214	3.6
255.93832	2.3
429.95721	2.8
573.31812	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	561.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03205	0.2
59.01362	0.4
71.01376	0.4
71.74663	0.2
73.02924	0.2
75.00877	0.3
79.95734	2.8
80.96511	0.2
89.02421	0.2
96.96009	100.0
97.95967	0.3
98.20714	0.5
99.00882	0.2
108.71384	0.2
113.02430	0.4
125.02424	0.4
129.09236	0.3
169.01425	0.2
186.69522	0.2
229.43120	0.2
259.02652	0.3
270.01672	0.3
271.02469	1.1
287.01999	0.8
296.06494	0.2
316.02246	4.3
317.02890	0.6
338.38205	0.2
418.00247	0.2
463.08795	5.1
464.09207	0.3
488.47949	0.2
560.22308	0.2
561.17303	0.4
561.26398	0.5
573.56995	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16370	0.3
57.03452	0.8
59.01101	0.7
59.01379	10.8
59.91614	0.3
61.98827	100.0
65.91032	0.3
69.03478	0.5
71.01367	2.8
72.99311	0.5
73.02961	1.2
73.60332	0.4
83.01366	0.8
85.02942	1.9
89.02434	0.5
95.01409	0.5
96.96016	1.2
99.00836	0.6
101.02443	1.7
105.73145	0.3
108.03879	0.4
109.02917	0.6
113.02458	1.4
123.00923	0.5
125.02456	4.4
137.02451	1.0
138.03302	0.4
139.04004	0.9
151.00395	0.4
161.02533	0.5
161.04631	0.6
165.01949	0.9
167.03436	0.7
168.00623	0.4
169.01414	4.4
179.67848	0.4
185.11833	0.5
199.04008	0.4
215.11032	0.5
219.06631	0.8
221.04634	0.4
291.93588	0.4
338.24179	0.4
341.26944	0.9
356.25336	1.0
362.29190	0.4
411.11652	1.8
411.62067	0.5
497.21771	7.1
498.22678	0.6
498.87085	0.4
500.29648	1.2
501.30701	0.8
519.31763	0.9
559.31049	0.7
560.15350	0.7
560.32013	4.5
561.25415	0.6
561.32996	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	560.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.7
57.31509	2.5
59.01377	19.2
61.98827	10.9
64.99693	2.3
71.01382	12.3
71.52528	3.2
71.69923	2.6
72.99318	4.7
73.02929	2.8
74.40622	2.7
75.00873	4.9
83.01378	5.0
85.02946	7.7
87.00870	3.3
89.02457	7.5
93.03439	2.8
95.01431	3.2
96.96009	12.0
99.00861	5.0
101.02476	12.5
107.01379	9.8
111.00928	4.2
113.02455	9.5
118.32646	2.6
118.70560	2.4
119.03460	4.4
123.00888	7.3
125.02439	50.6
126.02784	4.0
137.02495	3.7
139.00473	2.8
151.00360	4.1
167.03468	3.1
168.00681	4.8
169.01427	62.4
170.01697	4.9
177.01938	3.9
177.04077	13.5
191.05528	3.8
211.02492	5.8
329.05127	4.4
345.15472	3.4
497.16623	100.0
498.17032	9.0
560.21448	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59445	4.0
52.82711	4.3
53.22915	4.6
53.93524	4.2
59.01379	92.3
59.50759	4.2
61.98833	100.0
70.92033	7.9
70.92366	8.1
71.01370	32.4
72.99288	5.5
73.02937	5.9
74.94105	5.3
75.00871	21.5
83.01410	4.1
85.02965	29.2
87.00868	6.9
89.02463	6.9
95.01380	6.8
96.96025	10.0
99.00898	13.0
101.02462	12.6
111.08156	5.2
113.02441	25.8
125.02451	15.3
142.99052	4.6
160.05040	4.7
169.01355	6.8
207.29544	4.5
211.17067	4.9
253.09270	14.9
264.11581	4.6
291.19650	11.1
309.20792	10.9
323.22229	39.6
337.23883	29.5
349.91095	4.9
361.23605	5.4
487.19565	5.1
499.29059	13.4
514.15723	5.0
517.30072	10.2
527.28827	7.0
559.27283	82.3
560.28180	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	559.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50456	1.2
58.38118	1.0
59.01376	15.0
70.11790	1.0
71.01380	3.9
73.02959	1.6
80.83223	1.0
85.02953	1.4
87.00863	1.5
89.02448	4.0
101.02455	4.1
112.68379	1.1
113.02449	1.7
229.93248	1.2
229.95424	1.5
253.09308	13.5
263.20135	100.0
264.20599	5.5
416.21036	1.3
451.40836	1.1
502.96301	1.3
517.20801	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.9
61.98819	1.4
71.01379	4.5
71.53670	1.2
74.21365	0.9
76.80791	0.9
89.02452	3.2
101.02433	3.7
106.50547	1.1
117.69196	1.0
161.04576	1.8
189.26135	1.1
211.31250	1.0
235.08192	1.6
253.09274	17.2
263.20157	100.0
264.20496	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	559.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	6.5
59.01104	4.1
59.01379	47.4
61.98531	3.6
61.98828	57.3
64.11556	2.4
69.03426	3.0
69.59761	2.2
71.01376	24.4
71.52374	2.6
72.99291	7.5
73.02926	5.6
75.00864	17.8
75.91045	2.7
79.71909	2.8
81.03440	2.6
83.01385	5.2
85.02953	25.6
87.00851	10.2
89.02434	11.7
95.01363	4.5
95.05016	2.7
96.95991	3.4
97.02946	5.0
99.00862	15.2
101.02434	5.7
103.00352	3.4
111.08138	5.9
113.02440	30.9
120.60951	2.2
125.02457	19.2
125.09714	3.0
137.02386	4.8
157.07565	3.4
163.11223	2.6
165.01930	4.7
167.03508	20.6
169.01399	2.5
169.06436	2.4
175.02469	3.5
177.12799	3.0
181.12210	5.8
194.93417	2.3
195.13824	3.2
197.11832	26.9
207.10231	3.0
209.11777	8.0
211.13261	4.0
225.11195	8.7
235.13397	4.6
243.12317	6.0
247.13307	5.0
249.06082	6.9
253.09163	5.6
261.18552	3.7
265.14389	3.1
267.07047	5.4
285.20602	3.3
291.19501	3.2
305.17416	7.8
309.20575	10.5
314.26794	2.9
499.28241	3.8
515.21765	3.5
527.28290	6.8
541.26184	4.6
559.27368	100.0
560.27625	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	559.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17325	1.0
57.03424	4.0
58.00575	1.2
59.01379	62.2
61.98814	3.1
68.99802	1.5
69.03435	3.7
69.26232	7.4
71.01384	24.7
72.99317	4.9
73.02955	2.3
75.00461	1.3
75.00872	18.8
79.01929	0.9
81.03471	1.0
81.47549	0.9
83.01377	1.7
85.02451	1.7
85.02951	27.5
87.00886	11.5
89.02438	9.2
90.24456	0.9
91.03999	1.6
93.07157	0.9
95.01392	6.2
96.96005	1.0
97.02959	2.2
99.00870	11.8
101.02428	2.7
103.00358	3.8
111.00866	2.5
113.02448	37.3
115.00333	1.5
116.62971	0.8
117.01899	2.5
119.05063	1.0
121.02971	1.2
123.00891	2.3
125.02439	12.4
129.01898	2.5
135.04485	1.3
145.02940	2.3
151.00389	1.5
161.13324	5.1
169.01436	13.1
173.78180	0.9
175.02463	3.4
181.05040	1.6
185.00847	2.0
187.11215	2.3
205.07074	1.2
205.12318	11.8
207.05045	1.7
211.02412	1.5
223.08246	1.0
231.04984	2.6
235.20726	0.8
249.06140	29.6
249.11255	1.6
267.07199	100.0
268.07520	3.4
271.04498	3.2
294.95840	1.1
317.87094	1.0
373.25797	1.8
455.19211	68.0
456.19547	5.5
499.18262	22.1
500.18878	1.9
521.20251	6.4
523.20831	1.8
559.20026	41.1
560.20557	3.8
577.39246	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11075	1.1
55.01870	2.4
57.03431	4.9
59.01379	83.1
61.98807	4.9
67.01884	2.2
68.99809	3.9
69.03468	5.4
71.01006	2.1
71.01379	36.9
72.99312	10.3
73.02932	5.8
75.00461	1.8
75.00868	30.7
78.95889	1.4
79.01893	1.9
81.03436	1.9
83.01390	3.2
85.02955	39.1
87.00870	14.4
88.98786	2.6
89.02448	11.1
91.40359	1.0
93.03431	4.1
95.01395	8.6
96.95996	2.8
97.02934	3.9
98.19857	2.3
99.00874	13.5
99.04513	1.9
101.02409	4.3
102.93071	1.0
103.00356	4.2
105.07098	1.9
107.01378	4.6
109.02957	1.2
111.00864	6.1
111.04493	1.5
113.02448	47.2
115.00369	2.2
117.01902	5.0
121.02920	4.1
123.00899	6.5
124.01665	2.6
125.02448	44.0
126.02807	1.2
126.90389	2.7
129.01921	3.5
131.03424	1.8
137.02432	1.9
139.00391	2.3
139.04047	1.5
140.01161	2.3
141.01936	1.0
151.00323	4.0
152.99541	1.9
154.99779	1.3
157.01346	1.7
161.02304	1.5
161.04582	1.4
161.13408	6.2
166.06369	8.3
167.03427	2.4
168.00615	4.1
169.01422	53.5
170.01704	1.5
173.04550	5.7
175.02399	4.7
177.01915	2.1
179.10588	1.2
183.02974	2.5
185.00835	2.7
187.11191	2.6
189.03973	1.4
195.06482	1.2
205.07227	1.5
205.12311	24.0
207.05023	1.6
211.02380	2.3
211.13281	2.3
225.14861	3.7
231.05081	2.7
241.01141	1.4
249.06137	44.0
249.11259	4.0
263.66336	1.1
267.07196	100.0
268.07471	3.4
271.04510	1.2
329.15933	1.3
373.25955	2.6
377.08533	6.3
397.11334	2.5
407.09927	1.4
455.19193	78.0
456.19501	7.4
499.18219	33.8
500.18112	3.0
510.87415	1.2
521.20245	1.4
523.21857	2.2
559.10681	2.8
559.19562	55.7
560.19739	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	558.186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
58.00605	0.6
59.01380	100.0
60.01719	0.6
61.32011	0.4
61.98831	10.6
67.36179	0.4
68.02541	2.9
69.03455	1.3
70.91957	0.6
70.92283	1.0
71.01382	19.8
73.02950	24.5
75.00878	0.7
80.81145	0.5
83.01392	8.6
85.02962	3.4
87.00890	0.8
89.02439	4.8
95.01395	1.0
96.95988	0.8
97.02991	0.6
101.02445	28.9
102.02776	0.7
113.02448	9.3
119.03524	3.9
125.02458	3.3
126.99564	4.2
131.03458	2.4
133.04932	0.5
137.02502	0.5
141.47148	0.5
143.03529	2.6
149.04568	3.2
155.03506	1.0
161.04568	7.4
169.01456	2.3
203.05675	0.6
203.68996	0.5
218.63965	0.4
221.06621	1.3
247.13362	0.6
253.09253	0.5
261.18765	1.0
269.07257	0.5
305.17694	1.0
310.61935	0.5
558.13239	0.7
558.30957	1.1
559.28772	1.0
559.47662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46233	0.5
57.03445	0.9
58.00596	1.1
59.01378	100.0
60.01716	0.9
61.98830	10.1
68.02545	2.7
69.03452	0.8
69.51062	1.2
69.51474	2.6
71.01382	19.2
72.99309	0.9
73.02943	23.9
81.03474	0.6
83.01383	8.5
85.02921	2.5
87.00882	0.9
89.02441	4.4
95.01415	0.6
96.96013	0.7
97.02970	0.9
98.20617	0.9
99.00895	0.8
101.02444	26.4
102.02769	0.5
106.79633	0.5
113.02447	9.9
116.73692	0.5
119.03500	2.5
125.02457	4.0
126.99565	4.4
131.03520	3.3
137.74831	0.5
143.03484	2.9
149.04555	4.4
155.03581	0.9
161.04558	7.5
169.01489	1.8
179.05728	0.7
186.22270	0.5
203.05727	1.2
203.33995	0.5
221.06709	1.0
305.17896	0.9
376.59088	0.5
391.38040	0.5
532.33954	0.6
558.13647	0.9
559.28558	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84331	0.1
59.01380	0.3
61.98830	100.0
69.29055	1.1
75.87056	0.1
78.95913	0.8
98.19955	0.3
110.80199	0.1
140.60414	0.1
152.99600	0.3
224.07050	0.2
255.23274	1.9
256.23755	0.5
257.23856	0.3
258.24228	0.2
287.22372	0.4
398.86560	0.1
480.30960	1.1
481.31296	0.2
483.31915	0.6
557.32520	0.3
557.44348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.9
61.98804	4.2
70.60464	3.2
71.54151	4.9
76.09858	2.8
93.03466	11.5
96.96018	13.3
107.01368	7.7
111.04543	8.4
125.02452	48.2
126.02727	3.6
137.02431	10.3
155.03474	8.9
165.01907	3.8
169.01413	100.0
170.01799	5.3
173.04539	18.0
191.05612	10.6
223.91473	3.0
239.17018	3.2
293.10263	2.9
309.18030	3.0
312.81586	2.9
313.05386	3.7
314.05667	4.9
325.05652	11.5
343.06659	14.4
473.95633	4.0
495.07739	74.6
496.08115	7.6
540.97803	3.4
557.14594	6.0
558.15125	22.5
559.15088	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	557.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
59.01382	3.7
61.98815	0.4
67.01880	1.0
68.99824	0.4
70.70634	0.7
71.01381	3.3
72.99290	0.6
75.00840	0.4
79.01876	0.9
79.95757	0.8
81.03456	0.4
83.01384	0.8
85.02962	1.3
87.00864	0.7
89.02434	1.4
95.01379	1.3
96.96008	6.6
97.02928	0.6
98.95595	2.6
98.96374	0.5
101.02466	2.1
107.01388	4.8
109.02959	0.6
111.00863	1.7
113.02445	1.3
123.00882	10.3
124.01648	1.0
125.02439	19.9
126.02791	0.8
127.00355	0.9
135.04533	0.7
136.98807	0.8
137.02464	0.7
139.00386	4.5
139.03975	0.5
140.01146	3.0
141.01955	1.3
149.02417	0.4
151.00357	7.8
151.04005	0.4
152.00807	0.3
153.01971	0.8
154.99866	0.4
155.03435	0.5
161.06284	0.3
165.01929	0.8
167.03470	1.3
168.00641	4.9
169.01418	28.6
170.01740	2.1
171.01880	0.5
177.01875	1.1
181.04985	0.5
191.03423	0.3
201.39325	0.3
211.02467	13.7
241.03374	0.4
259.02835	0.4
271.04572	14.5
272.04919	0.7
303.11563	0.3
313.05624	1.2
319.25208	0.3
331.06543	0.3
340.05527	1.8
340.55566	0.8
341.05322	0.4
355.34375	0.3
387.09717	0.4
431.11902	0.7
450.11200	0.7
495.11096	0.4
520.98328	1.0
539.10468	1.0
539.19733	0.5
557.22327	100.0
558.22632	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01379	100.0
60.01713	1.0
61.98827	5.9
66.69209	0.6
69.03465	0.7
69.39635	4.6
71.01376	4.6
73.02963	1.8
83.01376	0.9
84.22623	0.5
85.02956	1.9
89.02460	0.6
90.35887	0.8
96.96084	0.8
101.02468	2.2
107.01324	0.5
111.00914	1.1
113.02458	0.9
123.00917	0.7
125.02458	4.3
125.39774	0.6
132.10503	0.6
156.23201	0.6
161.04556	0.8
167.03564	0.7
169.01427	5.6
169.12369	1.2
197.11917	1.4
209.11853	1.4
221.08238	1.4
224.43697	0.6
295.31113	0.6
307.32788	0.6
335.22559	1.0
365.34601	0.5
381.11902	1.4
467.09543	0.6
492.61151	0.6
497.27264	0.9
525.27118	1.3
557.28558	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	557.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85210	0.8
57.03432	1.0
59.01379	100.0
60.01717	1.2
61.98833	8.0
62.34523	1.0
67.02842	0.8
67.95689	0.8
70.38949	2.5
71.01372	4.3
71.05045	0.9
75.00877	1.8
78.95931	1.2
83.78183	0.8
85.02967	2.5
96.96014	1.7
107.06663	0.8
111.00874	0.9
113.02444	1.2
125.02452	4.0
149.62793	0.8
155.76236	0.8
169.01465	3.6
171.66460	0.8
184.20827	0.9
205.59663	0.8
221.08176	1.3
227.16350	0.9
236.19189	0.9
335.22314	4.5
381.12192	1.1
557.26874	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	557.225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.3
58.20337	0.4
59.01383	4.5
61.20956	0.4
61.98824	0.9
67.01860	0.5
70.92416	0.8
71.01391	3.7
72.99303	0.6
73.02930	0.7
74.55393	0.4
79.01866	0.6
81.03450	0.5
82.83703	0.4
83.01376	0.9
85.02940	1.3
87.00867	0.7
89.02428	1.2
95.01369	1.6
96.96008	1.1
99.00851	0.6
101.02444	2.4
107.01392	4.0
107.02061	0.7
111.00879	2.3
113.02441	1.1
123.00877	10.3
124.01665	1.0
125.02446	21.1
126.02766	1.8
127.02884	0.8
136.98796	1.4
139.00377	4.9
139.03966	0.6
140.01175	3.5
140.88635	0.4
141.01939	1.1
149.09685	1.0
151.00363	6.2
152.01045	0.5
165.01866	0.6
167.03484	1.4
167.10657	0.6
168.00624	6.4
169.01421	29.1
170.01791	2.8
171.01868	1.0
177.01915	1.0
211.02477	17.9
212.02704	0.8
229.64935	0.4
243.16197	0.5
253.03502	0.4
271.04562	17.5
272.04886	1.1
313.05682	1.4
314.05930	0.5
387.12064	0.5
402.21069	0.4
403.12360	0.9
404.12604	1.5
405.13174	3.7
405.21307	6.8
406.21225	0.8
495.15137	0.9
495.22192	1.1
511.21661	1.2
521.20007	0.9
539.21014	0.7
557.14075	15.0
557.22241	100.0
558.14410	1.1
558.22565	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	557.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	5.0
58.94666	5.3
59.01384	33.5
61.98817	23.2
69.03452	5.0
71.01385	9.9
73.02937	9.8
85.02940	12.7
88.98782	5.6
89.02423	7.1
95.01410	6.3
96.60759	3.9
96.96007	11.6
98.20783	8.0
101.02428	6.2
106.52571	4.6
107.01398	10.6
109.02957	5.1
112.37018	3.9
113.02439	8.6
116.92838	6.4
121.05341	8.3
122.06128	5.3
123.00882	19.3
124.01678	9.9
125.02453	66.8
137.02412	7.8
139.00401	9.6
139.04037	9.0
140.01151	6.1
144.04575	10.0
151.00366	14.4
152.03464	4.4
153.03883	5.2
161.99173	4.4
167.03519	8.1
168.00633	17.3
169.01431	95.4
169.05080	5.4
170.01784	6.8
170.50536	4.1
177.01840	9.9
203.05894	4.4
204.06514	13.5
205.06961	7.7
211.02495	58.8
216.11046	4.1
228.94525	4.1
254.46770	4.3
259.43036	4.5
271.04590	100.0
272.04855	5.8
312.10822	7.1
313.05606	6.1
331.06744	28.8
359.12143	4.2
377.12878	4.4
495.23666	6.0
513.24316	9.1
517.20959	4.8
521.20386	50.3
522.20551	5.0
557.22449	96.9
558.23010	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	557.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	5.0
58.94666	5.3
59.01384	33.5
61.98817	23.2
69.03452	5.0
71.01385	9.9
73.02937	9.8
85.02940	12.7
88.98782	5.6
89.02423	7.1
95.01410	6.3
96.60759	3.9
96.96007	11.6
98.20783	8.0
101.02428	6.2
106.52571	4.6
107.01398	10.6
109.02957	5.1
112.37018	3.9
113.02439	8.6
116.92838	6.4
121.05341	8.3
122.06128	5.3
123.00882	19.3
124.01678	9.9
125.02453	66.8
137.02412	7.8
139.00401	9.6
139.04037	9.0
140.01151	6.1
144.04575	10.0
151.00366	14.4
152.03464	4.4
153.03883	5.2
161.99173	4.4
167.03519	8.1
168.00633	17.3
169.01431	95.4
169.05080	5.4
170.01784	6.8
170.50536	4.1
177.01840	9.9
203.05894	4.4
204.06514	13.5
205.06961	7.7
211.02495	58.8
216.11046	4.1
228.94525	4.1
254.46770	4.3
259.43036	4.5
271.04590	100.0
272.04855	5.8
312.10822	7.1
313.05606	6.1
331.06744	28.8
359.12143	4.2
377.12878	4.4
495.23666	6.0
513.24316	9.1
517.20959	4.8
521.20386	50.3
522.20551	5.0
557.22449	96.9
558.23010	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	557.13
Annotation	3,3',4,5'-Tetrahydroxystilbene 3'-O-beta-D-(6''-O-galloylglucopyranoside)
Peak:m/z	Relative Intensity
50.86195	0.5
55.01880	0.6
57.03451	1.1
59.01380	11.3
61.98832	7.6
63.03542	0.5
65.00307	0.7
67.01883	1.7
69.03453	5.2
69.18795	5.0
71.01374	7.6
72.99305	0.8
73.02945	2.1
75.00867	1.4
79.01891	3.3
81.03456	1.5
83.01405	2.2
85.02955	3.4
87.00883	1.0
89.02447	1.8
93.03419	0.8
95.01388	3.9
96.96019	1.0
97.02968	3.5
99.00885	1.5
99.04513	1.9
101.02451	3.1
107.01392	17.5
108.02186	5.2
109.02962	7.5
111.00891	3.1
111.04498	0.7
113.02443	3.3
119.03527	0.9
121.02938	3.1
122.50266	0.6
123.00890	12.2
123.04547	0.6
124.01649	3.2
125.02444	78.0
126.02803	2.3
127.00357	0.9
135.00940	1.0
136.98842	1.3
137.02428	6.7
137.49321	0.5
139.00392	5.4
139.04016	0.7
140.01170	4.2
141.01956	1.5
149.02411	1.6
151.00377	11.0
151.03976	1.4
152.01093	1.6
153.01924	5.9
154.99883	0.8
161.02420	1.4
161.04506	0.7
163.04031	0.7
164.76590	0.5
165.01926	0.9
165.05603	0.7
166.06349	2.1
166.99846	1.0
167.03526	2.1
168.00664	8.2
169.01418	87.9
170.01762	2.0
177.01941	2.8
179.03456	1.0
181.01389	0.6
181.08676	1.5
183.02866	0.7
193.01447	0.6
195.02913	0.6
197.06068	6.5
211.02522	4.7
213.05653	1.1
214.05139	0.7
215.07082	0.9
221.06616	0.5
237.36731	0.6
241.03525	1.4
242.05827	2.0
243.06593	2.9
253.03273	0.8
271.04565	3.0
272.05133	0.6
297.06244	1.3
305.06555	1.2
312.04944	1.5
313.05624	23.5
314.06165	0.9
366.63556	0.6
403.10245	0.9
422.08557	1.5
449.07129	4.3
466.07632	2.1
479.22897	0.8
481.14212	1.0
521.20209	5.1
521.33057	2.6
557.12921	100.0
557.22076	4.3
557.31696	5.9
558.13336	12.0
558.22223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78780	1.4
59.01377	1.6
61.98819	2.6
69.03471	1.6
69.41106	8.2
69.41517	2.3
71.01395	2.0
71.48598	1.1
81.03445	1.5
83.05036	3.0
85.02963	1.2
87.00882	2.6
88.98805	2.6
91.01905	2.3
93.03475	8.5
95.01394	1.5
96.96014	19.5
98.98280	1.2
107.01398	6.2
107.09589	1.3
108.02168	1.5
111.00927	1.4
111.04535	11.5
114.92844	1.4
123.00890	3.6
123.04534	14.0
125.02450	64.0
126.02763	2.1
135.04494	2.0
137.02446	4.5
138.05562	2.0
151.00395	2.9
153.05634	3.0
155.03506	17.6
167.03484	45.7
168.00609	3.4
169.01425	100.0
170.01752	3.7
173.04547	25.7
191.05711	1.6
211.02461	2.1
223.68587	1.2
248.88431	1.3
271.04620	2.0
313.05951	1.9
323.07794	4.8
325.05661	20.6
326.06082	1.5
341.08716	5.8
359.05301	1.6
467.11835	4.4
493.09863	90.0
494.10413	6.2
555.20569	4.6
556.12970	1.5
556.21143	6.5
557.22577	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	555.284
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
55.74536	0.4
56.95065	0.4
59.01375	1.0
63.96224	0.9
69.32583	1.8
69.33006	2.3
71.01377	6.0
73.02931	1.8
78.98592	4.6
79.95738	9.0
80.96517	59.5
81.03474	0.9
85.02932	2.6
87.00870	2.3
94.97476	0.8
94.98082	14.7
96.96018	0.6
97.02946	1.4
101.02433	1.6
106.98106	2.9
122.97546	2.4
125.02419	2.3
127.04028	0.6
134.97577	3.7
136.99123	2.0
146.97543	0.5
148.99141	4.6
150.87672	0.5
152.98621	5.5
164.98622	8.8
188.98596	0.6
194.58368	0.6
206.99649	2.3
225.00745	12.2
225.02960	0.6
255.23219	2.2
299.04428	3.1
337.45749	0.6
380.62445	0.5
428.98172	0.5
555.28400	100.0
556.28699	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	555.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.3
60.44215	1.3
61.98816	5.0
69.03458	1.8
71.01373	5.6
71.56148	2.9
72.99281	1.5
73.02942	1.5
85.02952	1.9
89.02419	2.4
93.03458	4.8
96.64778	1.4
96.96017	3.0
101.02427	2.6
107.01408	2.2
108.02146	3.1
108.91959	1.4
109.02945	10.4
111.00803	1.8
113.02425	5.0
121.02939	5.4
122.03760	11.3
123.00893	2.2
123.04531	7.5
124.01717	1.4
124.97089	1.3
125.02442	14.2
133.02968	3.1
135.04521	2.8
137.02429	2.1
139.00356	2.9
142.37212	1.2
147.04512	2.8
149.02437	20.9
150.03226	80.7
151.00322	3.0
151.04007	14.5
159.04469	1.9
164.04800	4.7
165.05565	64.1
166.06081	2.3
167.03491	1.6
168.00645	2.3
169.01424	19.9
173.06038	2.5
180.04277	4.5
181.05054	8.2
189.05576	3.6
192.47049	1.6
195.06616	36.6
203.07152	1.7
211.02408	4.1
240.04312	2.1
241.05013	10.6
255.06625	2.6
261.51401	1.3
265.09009	1.8
267.06763	2.7
269.08234	1.9
269.32394	1.2
271.04651	7.7
295.09674	1.4
297.07687	4.2
298.08566	1.5
299.09204	3.7
313.05530	2.1
313.10870	5.1
329.10229	2.3
331.07013	1.6
344.12418	9.2
345.13364	2.6
359.15039	26.7
398.78235	1.4
401.16019	2.4
407.26443	3.1
433.11383	1.3
443.14911	3.1
447.14435	2.6
461.15930	7.0
462.16385	1.6
477.15079	2.3
507.20181	100.0
508.20483	9.6
554.31897	1.7
555.12170	2.2
555.20953	30.6
555.32892	3.1
556.21716	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.5
59.01379	2.5
61.98835	2.2
69.03464	1.9
69.33086	4.2
70.17031	0.5
71.01378	1.3
73.02955	1.1
77.64757	0.6
79.01873	0.6
81.03488	1.2
83.01378	1.2
85.02943	0.9
89.02446	0.6
93.03479	2.1
95.01392	0.8
95.05049	1.1
96.95996	0.8
97.02976	2.3
99.04525	0.8
101.02416	0.5
105.03485	1.1
107.01386	1.5
108.02151	0.7
108.07468	0.6
109.02970	1.7
113.02464	0.7
116.92905	0.6
121.02962	5.5
122.03744	7.2
123.00878	1.9
123.04561	0.7
124.01616	1.3
125.02450	85.3
125.26559	0.6
126.02775	2.0
133.02954	1.1
135.04514	1.5
135.08147	0.9
136.01653	1.5
136.24411	0.6
137.02454	4.4
139.03993	2.1
149.02435	11.9
150.03227	48.2
151.03709	1.3
160.05276	0.9
161.02419	5.9
162.03220	0.8
163.03989	0.9
164.04808	2.7
165.01923	3.4
165.05573	58.6
166.06085	2.8
167.03479	2.6
169.01424	100.0
170.01822	3.5
175.03911	0.9
177.01834	1.0
177.05548	1.3
179.03525	2.4
179.07079	4.0
180.04312	4.0
181.08678	0.8
191.07109	1.0
193.01459	4.5
195.06628	38.4
196.06998	1.6
200.35669	0.5
203.03429	0.5
207.06609	1.1
219.06631	2.4
221.04478	1.3
223.09778	3.0
240.04224	0.7
267.06622	0.7
269.08249	2.1
283.06168	0.8
283.09741	0.6
287.05530	0.9
295.06067	1.5
297.11349	1.0
298.08429	0.8
299.09079	1.2
300.09848	0.8
305.06644	7.8
310.08395	0.9
311.09216	2.0
313.11020	1.3
314.11533	2.7
315.12320	1.1
325.10809	2.2
326.11487	1.4
329.13956	9.4
331.04532	1.0
341.13901	5.5
343.11874	1.2
359.11517	1.2
367.11597	0.9
373.12469	0.8
385.12918	1.4
403.14005	11.2
404.14359	0.6
429.11661	1.1
457.07889	0.9
477.19141	1.8
507.20224	5.9
508.20792	0.8
525.21002	2.0
537.21112	1.4
555.21814	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67783	0.3
55.01863	0.6
57.03443	0.5
59.01378	1.7
59.51787	0.3
67.01896	0.5
69.03420	0.5
69.56940	2.4
71.01383	1.9
73.02946	0.8
76.25188	0.3
79.01897	0.9
79.95729	2.8
83.01379	0.9
85.02962	0.8
88.98821	0.4
89.02449	0.6
93.77792	0.4
95.01391	1.4
96.96010	100.0
97.02948	1.0
99.00879	0.4
101.02462	1.5
107.01384	3.2
109.02934	0.4
111.00891	1.8
113.02468	0.6
123.00891	7.8
124.01688	1.2
125.02444	23.3
126.02827	0.5
127.00351	0.5
136.98801	1.1
139.00381	3.0
140.01157	2.3
141.01927	0.8
151.00378	4.3
151.03973	0.4
153.01956	0.5
161.02473	0.8
166.99835	0.3
168.00638	2.2
169.01419	34.4
170.01768	1.2
181.04987	0.4
211.02510	1.5
271.04504	1.9
292.54199	0.3
305.06784	0.9
313.05701	0.9
331.04416	0.6
359.77686	0.4
385.11386	0.4
403.12427	7.2
404.12827	0.4
407.26428	0.5
457.07718	1.7
493.20792	1.7
509.20059	1.1
511.21869	2.6
512.22388	0.5
537.19824	1.1
555.13342	14.9
555.20892	36.7
556.13647	1.6
556.21246	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	555.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01381	4.8
66.67591	0.6
67.01885	1.2
68.99820	0.8
69.03461	1.4
71.01367	5.3
71.53157	0.7
71.53575	1.0
72.99284	0.9
73.02946	1.9
79.01907	1.5
79.95738	3.3
81.03444	0.7
83.01385	1.4
85.02947	1.9
87.00901	0.6
89.02423	1.7
95.01384	2.9
96.96011	100.0
97.02938	1.6
101.02457	4.1
107.01388	8.9
109.02946	0.9
111.00909	3.7
113.02451	2.3
119.03494	0.6
121.02907	0.7
123.00886	17.8
124.01709	1.5
125.02449	48.0
126.02778	1.8
127.00381	1.4
135.04521	1.3
136.98805	2.0
137.02432	1.3
138.06952	0.8
139.00365	7.5
140.01167	4.7
141.01915	2.1
149.02547	0.8
150.03223	2.2
151.00372	14.0
151.04048	0.8
153.01953	1.5
153.09212	2.2
161.02484	0.8
163.04044	1.0
165.01917	0.7
165.05577	2.3
166.99838	1.1
167.03531	0.9
168.00653	6.9
169.01425	68.7
170.01723	3.7
177.02060	0.8
179.03513	1.3
181.05038	1.4
182.02197	1.2
193.01445	0.7
193.05002	0.9
195.06628	1.7
197.04572	2.1
211.02493	8.6
271.04602	11.9
305.06836	1.0
313.05557	4.6
331.06699	3.5
385.11166	0.7
393.11963	1.0
403.12448	19.8
404.12857	0.8
407.26254	1.0
432.14789	0.7
457.07718	2.0
493.09921	1.0
493.20895	1.5
498.37579	0.7
509.19794	0.6
511.21786	2.0
537.19617	1.3
555.13397	40.3
555.20947	84.5
556.13733	3.6
556.21277	9.3
579.19788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62121	0.4
57.03448	13.0
59.01379	7.0
61.87667	0.4
61.98830	11.2
69.03437	0.6
70.56880	1.5
71.01388	1.7
73.02953	0.9
81.03456	2.0
83.01392	4.6
85.02946	0.9
87.00890	0.8
89.02432	0.8
93.03458	1.4
95.01367	1.0
95.05016	1.7
96.96005	3.2
97.02941	0.7
101.02460	1.3
105.03446	4.8
107.01402	0.5
107.05057	1.4
109.02962	2.6
111.04530	0.6
113.02453	1.1
119.04974	1.0
121.02955	3.1
122.03725	0.6
123.00894	0.9
123.04520	1.7
124.01634	0.7
125.02448	100.0
126.02779	1.8
129.92238	0.4
133.02980	1.2
135.04504	0.9
137.02454	8.6
139.04010	3.4
141.07269	0.5
149.02463	1.6
149.06073	0.5
150.03271	0.5
151.00391	0.5
151.04036	1.4
159.04463	0.7
161.02441	37.5
162.02821	1.3
164.01138	0.6
165.01926	2.2
167.03487	7.5
169.01402	6.1
170.01811	0.5
172.05249	0.4
175.03929	1.0
177.01898	0.8
177.05536	3.7
178.06038	0.5
179.03500	2.6
183.04500	0.7
191.03496	0.7
201.05594	1.9
219.06641	2.0
221.04546	0.5
223.13348	3.9
225.05547	0.8
227.03590	0.9
229.01395	0.6
229.08823	2.2
241.05237	0.5
243.06691	1.3
267.07480	0.4
267.12268	1.8
269.04562	6.6
273.07681	7.8
274.08047	0.6
284.03351	0.7
287.05606	9.6
287.08560	0.7
288.05878	1.1
305.06653	14.3
305.10147	0.8
306.07050	1.1
355.62396	0.4
357.26343	0.6
372.13867	0.5
394.19910	0.4
403.13947	0.5
417.15753	1.0
435.13049	1.3
468.33484	0.5
475.10822	0.6
509.91525	0.5
555.15332	2.6
555.25653	1.8
556.26929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61196	0.4
57.03456	3.2
59.01376	3.8
61.98837	0.4
69.03469	2.1
71.01399	1.6
71.52630	0.7
73.02945	0.8
78.95921	0.5
79.01926	0.6
79.52872	0.4
81.03461	1.0
83.01373	1.2
85.02946	1.2
89.02420	0.6
95.01386	0.8
95.05034	1.0
96.95989	0.5
97.02946	2.2
99.04516	1.1
101.02417	0.7
105.03458	0.6
107.01385	1.0
109.02966	1.9
113.02464	1.0
121.02982	1.1
123.00889	1.7
124.01655	1.1
125.02445	79.2
125.17691	0.4
126.02789	1.8
128.12941	0.4
135.08115	0.7
137.02425	3.9
137.06113	0.5
139.00391	0.5
139.03996	2.8
149.02437	0.8
150.03244	0.5
151.00404	0.5
151.04019	0.6
152.99648	0.8
153.05589	0.5
161.02443	5.7
164.01160	0.9
165.01920	2.5
165.05618	0.6
166.99895	0.6
167.03488	2.2
168.00630	0.9
169.01419	100.0
170.01729	1.8
177.01953	0.7
177.05579	1.3
179.03470	2.0
179.07126	4.4
179.12276	0.4
183.52699	0.5
185.00992	0.5
191.07115	0.8
193.01442	3.6
195.06490	0.5
201.05524	0.7
203.03503	0.6
205.01411	0.5
219.06593	2.8
221.04636	1.1
223.09700	4.3
225.05635	0.5
229.14508	0.6
235.09634	0.8
239.05550	0.7
245.04453	0.7
261.07690	1.1
271.04645	1.1
287.05597	1.0
291.04816	0.4
305.06641	8.8
306.06757	0.5
326.73849	0.5
327.21545	1.0
331.04510	1.0
355.11893	0.5
359.11276	1.2
367.11884	0.5
385.12857	1.9
403.13943	9.9
403.71243	0.5
404.13916	0.4
429.11655	1.5
436.15421	0.4
439.96027	0.4
457.07654	1.5
537.19550	1.3
555.15283	1.5
555.28076	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	555.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61196	0.4
57.03456	3.2
59.01376	3.8
61.98837	0.4
69.03469	2.1
71.01399	1.6
71.52630	0.7
73.02945	0.8
78.95921	0.5
79.01926	0.6
79.52872	0.4
81.03461	1.0
83.01373	1.2
85.02946	1.2
89.02420	0.6
95.01386	0.8
95.05034	1.0
96.95989	0.5
97.02946	2.2
99.04516	1.1
101.02417	0.7
105.03458	0.6
107.01385	1.0
109.02966	1.9
113.02464	1.0
121.02982	1.1
123.00889	1.7
124.01655	1.1
125.02445	79.2
125.17691	0.4
126.02789	1.8
128.12941	0.4
135.08115	0.7
137.02425	3.9
137.06113	0.5
139.00391	0.5
139.03996	2.8
149.02437	0.8
150.03244	0.5
151.00404	0.5
151.04019	0.6
152.99648	0.8
153.05589	0.5
161.02443	5.7
164.01160	0.9
165.01920	2.5
165.05618	0.6
166.99895	0.6
167.03488	2.2
168.00630	0.9
169.01419	100.0
170.01729	1.8
177.01953	0.7
177.05579	1.3
179.03470	2.0
179.07126	4.4
179.12276	0.4
183.52699	0.5
185.00992	0.5
191.07115	0.8
193.01442	3.6
195.06490	0.5
201.05524	0.7
203.03503	0.6
205.01411	0.5
219.06593	2.8
221.04636	1.1
223.09700	4.3
225.05635	0.5
229.14508	0.6
235.09634	0.8
239.05550	0.7
245.04453	0.7
261.07690	1.1
271.04645	1.1
287.05597	1.0
291.04816	0.4
305.06641	8.8
306.06757	0.5
326.73849	0.5
327.21545	1.0
331.04510	1.0
355.11893	0.5
359.11276	1.2
367.11884	0.5
385.12857	1.9
403.13943	9.9
403.71243	0.5
404.13916	0.4
429.11655	1.5
436.15421	0.4
439.96027	0.4
457.07654	1.5
537.19550	1.3
555.15283	1.5
555.28076	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	555.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.8
60.34029	2.1
60.67662	2.1
61.12694	1.9
71.01382	2.8
71.07039	3.7
85.02955	3.4
89.02415	2.7
96.95997	10.9
102.26372	2.3
113.02485	2.2
121.02958	80.2
122.03292	4.2
123.00895	3.8
125.02443	12.2
127.54634	2.1
128.07094	2.1
139.97806	2.4
151.70773	2.5
165.01932	100.0
165.03981	4.4
166.02434	2.1
167.03519	2.1
167.26871	2.1
169.01411	19.0
198.87431	2.2
323.13376	3.5
349.13101	10.7
389.10873	15.2
493.09592	2.9
555.18420	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	555.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95189	0.9
53.35143	0.7
57.03437	0.7
59.01376	4.3
66.35340	0.7
67.01887	1.0
67.54491	0.9
69.03465	0.9
69.47889	5.5
71.01382	3.6
72.99300	1.4
73.02924	1.2
79.01885	1.5
83.01404	0.9
85.02940	1.6
87.00874	1.4
88.98782	0.8
89.02454	1.3
95.01386	1.7
96.95952	1.6
97.02930	1.2
99.00891	0.8
101.02425	3.0
107.01390	14.3
111.00867	2.8
111.04529	0.9
113.02419	2.1
123.00882	13.0
124.01639	2.2
125.02444	44.3
126.02749	1.4
127.00365	1.2
136.98798	1.0
139.00375	5.9
140.01137	3.2
141.01897	1.6
142.73422	0.8
151.00365	11.6
168.00630	9.1
169.01421	57.3
170.01730	2.5
173.40913	0.7
176.84222	0.8
179.03482	1.3
181.01567	0.8
181.05052	1.4
182.04683	0.7
183.02988	0.8
206.11757	0.7
211.02434	4.3
212.02882	0.8
253.03430	0.9
271.04596	3.5
313.05664	4.1
385.11258	2.5
403.12405	40.9
404.12756	2.8
457.16888	0.9
486.52924	0.8
525.19958	2.2
537.19574	3.1
555.13428	100.0
555.20868	12.2
556.13837	10.1
556.21283	1.9
575.16260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
56.15087	0.7
59.01372	6.5
67.01894	1.6
67.45557	0.6
69.03461	1.3
69.45401	4.3
71.01386	6.1
72.99294	1.1
73.02940	1.8
74.90051	0.5
79.01910	1.4
81.03443	0.9
83.01400	2.1
85.02956	1.8
87.00896	1.6
88.98813	0.9
89.02448	1.9
95.01408	3.5
96.96009	3.1
97.02949	2.1
98.19799	0.6
99.00855	1.4
101.02450	3.6
106.20226	0.6
107.01390	14.2
109.02929	1.0
110.00183	0.6
111.00877	4.0
113.02449	2.6
121.02931	0.6
123.00887	21.4
124.01704	2.8
125.02445	51.9
125.28371	0.7
126.02790	1.9
127.00360	1.4
136.98805	2.9
137.02420	1.0
139.00378	9.1
139.04019	1.0
140.01173	5.1
141.01939	1.9
150.03256	1.1
151.00369	15.0
151.04002	1.0
153.01970	1.1
163.04013	0.9
166.99849	1.0
167.03456	1.5
168.00627	9.1
169.01414	63.6
170.01797	2.0
179.03491	0.9
179.07130	0.7
183.02986	0.9
211.02426	8.1
237.04060	0.6
250.06819	0.6
253.03656	0.8
259.02670	0.7
271.04575	10.9
287.23752	0.7
313.05612	4.5
331.06659	1.0
341.08801	1.6
357.76984	0.6
385.11255	1.9
403.12424	44.5
404.12656	2.7
493.13727	0.9
507.14996	1.0
527.62665	0.6
537.20148	0.7
554.20166	0.7
555.13434	100.0
555.20892	45.7
556.13788	9.3
556.21271	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	554.346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.2
66.84792	0.7
78.95905	18.4
80.96531	1.0
95.83153	0.6
98.20673	1.1
105.31721	0.6
152.99599	2.4
168.04341	2.1
224.02278	0.6
224.06920	7.3
229.27873	0.6
242.07947	2.0
255.23285	100.0
256.23639	4.9
480.30939	60.9
481.31152	4.8
554.26801	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68735	2.4
54.52493	2.6
59.01377	7.6
60.99276	2.9
61.98832	3.2
67.01891	5.5
71.01373	8.2
73.02938	3.2
75.00898	3.1
85.02943	8.8
87.00874	8.3
88.98808	15.2
89.02434	5.5
93.03458	37.9
95.17051	2.5
96.96013	68.4
97.02878	2.5
99.00928	3.7
101.02429	2.9
107.01380	6.2
111.00835	3.8
111.04493	3.6
113.02424	5.8
121.02947	9.4
123.00873	6.4
125.02444	48.6
137.02435	4.2
140.01149	2.9
149.02382	4.7
150.03162	3.6
151.00331	5.4
151.04019	3.0
153.05582	6.4
164.04893	4.7
165.05470	4.0
166.02715	7.1
167.03477	12.9
168.00616	5.5
169.01421	62.6
173.04552	16.4
177.01880	2.7
181.05095	5.2
183.02985	34.9
191.05626	100.0
192.05885	4.0
196.03804	3.5
197.04532	15.2
211.02513	3.8
267.07138	3.5
271.04584	4.3
280.67886	2.6
313.05551	16.8
361.62540	3.0
371.09827	52.8
372.10468	2.9
407.13437	5.5
466.16589	3.0
495.11328	15.1
511.10495	2.9
537.12476	14.6
549.10992	3.0
555.13141	32.5
555.21423	4.6
556.13910	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	554.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
61.98816	4.3
78.95901	20.8
80.96507	3.2
84.14282	0.7
98.20753	1.7
106.65626	0.7
125.02435	0.9
152.99571	2.8
168.04317	2.5
224.06885	8.4
229.38223	0.8
242.07961	2.7
279.23270	100.0
280.23566	7.0
331.08243	0.9
500.40662	0.9
504.30957	68.6
505.31183	5.2
554.27222	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	554.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35068	0.6
59.01365	1.0
61.98819	0.9
63.09428	0.5
68.82104	0.4
69.94203	2.5
71.01390	0.4
78.95907	5.3
80.96545	0.6
83.65885	0.5
88.74915	0.5
88.76888	0.5
152.99654	0.7
168.04308	1.7
169.01384	0.7
224.06860	1.2
242.07924	3.0
279.23273	100.0
280.23578	6.4
500.32239	0.7
504.30920	30.5
505.31363	3.0
554.27271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.8
60.15747	0.9
61.98834	5.0
65.00301	0.8
68.99804	1.4
69.03456	1.1
69.24085	8.9
71.01384	5.9
72.99314	1.6
73.02950	1.9
75.00871	2.7
78.95883	1.1
79.01889	1.7
82.15775	0.8
83.01375	2.4
85.02946	3.4
87.00880	1.3
89.02437	1.0
89.23469	0.9
93.03409	1.1
95.01388	3.7
96.95988	2.1
97.02932	2.0
99.00882	3.2
101.02444	2.6
107.01386	7.4
109.02930	1.5
109.94608	1.1
110.00099	0.9
111.00873	7.5
113.02448	1.8
123.00882	16.8
124.01659	1.3
125.02448	37.8
126.02779	1.2
127.00357	2.0
135.04529	1.5
136.98799	4.0
137.02428	3.0
138.03227	1.2
139.00368	9.5
139.04008	2.5
140.01187	9.2
141.01958	2.4
149.02402	1.3
151.00366	10.3
151.03975	1.1
153.01913	1.8
161.02417	0.9
165.01921	4.1
166.02618	1.3
166.99869	1.6
167.03546	1.2
168.00623	8.7
169.01425	47.2
170.01785	2.0
177.01869	1.6
179.03564	1.2
184.89597	0.9
186.03627	0.8
190.99971	0.8
193.84064	0.9
201.04033	1.4
207.02858	1.1
209.00945	1.6
217.06586	2.5
235.12177	0.9
241.42897	1.0
313.05765	2.6
316.02209	1.2
328.59805	1.1
355.06329	1.1
371.06198	12.7
467.19196	1.4
509.20251	100.0
510.20602	9.7
514.16534	1.0
553.25189	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	553.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.2
61.98826	0.7
65.00301	0.6
67.01911	0.7
71.01380	8.7
71.55473	1.1
72.79147	0.5
72.99276	1.5
73.02943	2.6
75.00883	1.3
79.01888	1.2
80.00502	0.6
83.01375	1.1
85.02952	3.3
87.00894	0.7
89.02453	4.7
93.03479	0.7
95.01384	1.9
96.46203	0.5
97.02976	1.6
99.00858	0.8
101.02431	3.7
107.01393	6.2
109.02966	0.6
111.00871	2.0
113.02465	3.3
113.03139	0.6
117.37167	0.6
118.52671	0.6
119.03524	1.5
123.00877	11.7
123.04482	1.4
124.01668	1.0
125.02450	28.8
126.02728	0.9
127.00372	0.7
136.98819	1.1
137.02455	0.9
137.09695	1.0
139.00340	4.8
139.03976	0.9
140.01143	3.3
141.01942	1.1
151.00369	7.8
153.01871	0.7
161.04494	0.7
166.99883	1.3
167.03433	0.9
168.00610	7.1
169.01418	41.3
170.01796	1.0
177.01921	0.8
201.11299	0.9
211.02470	18.0
213.20181	0.7
221.11832	2.6
225.64731	0.6
227.12885	0.8
241.03355	0.8
271.04578	25.3
272.05057	0.7
287.10538	0.8
287.14935	1.2
313.02661	0.6
313.05698	3.4
329.10840	0.8
331.06503	1.4
349.18793	0.6
379.19785	0.6
387.23383	0.8
401.10773	2.9
405.25052	1.7
407.27692	0.6
442.14984	0.6
535.18127	1.2
535.31549	1.1
553.12079	6.9
553.19287	100.0
554.19556	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
59.01377	2.5
61.98820	2.6
67.01891	2.1
69.03452	1.5
71.01384	2.6
73.02934	1.5
73.49696	0.9
81.03442	1.2
83.01369	1.6
83.05029	2.2
85.02957	2.0
87.00888	2.5
93.03439	7.9
95.01370	1.8
97.02947	1.5
98.20583	2.0
100.94354	0.8
101.02413	1.5
107.01385	12.9
109.02966	1.0
111.00888	2.9
111.04528	9.4
123.00877	10.9
124.01664	2.7
125.02447	80.0
126.02789	2.0
127.04021	1.7
135.00928	1.1
136.98819	2.0
137.02460	6.8
139.00397	6.5
140.01147	4.0
148.37225	0.9
151.00381	9.0
153.01898	1.4
155.03481	14.1
157.27023	0.8
165.01892	1.3
165.12851	10.6
165.37302	0.9
166.99838	1.6
167.03479	1.4
168.00591	6.0
169.01422	100.0
170.01785	1.6
173.04538	17.1
180.56544	1.0
183.13881	27.9
191.05603	3.8
193.01416	1.8
227.12836	12.3
245.04512	0.8
307.04532	1.8
325.05588	9.5
339.07437	1.4
343.06677	2.9
383.17175	3.7
401.14093	30.3
401.18445	6.6
402.14716	2.6
535.18378	4.2
553.16174	64.1
554.17725	5.2
582.97327	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1561
Annotation	Arillanin G
Peak:m/z	Relative Intensity
52.45501	0.7
57.03434	2.8
59.01381	4.2
61.98834	8.1
65.00315	1.0
66.21787	0.7
67.01857	1.1
68.99818	1.2
69.03447	1.4
69.41875	5.8
71.01385	3.5
73.02937	1.4
78.05306	0.7
79.01894	1.6
81.03451	1.6
83.01383	2.9
85.02934	2.5
93.03457	1.2
95.01400	2.5
96.96003	1.3
98.19887	1.5
101.02416	3.1
103.45624	0.7
107.01392	11.7
107.05000	0.9
109.02956	1.4
111.00864	3.9
113.02453	1.3
121.02964	1.3
122.42596	0.6
123.00876	12.7
123.04495	1.2
124.01687	2.9
125.02446	51.9
126.02756	1.4
127.00353	1.5
134.03757	6.6
136.98802	1.7
137.02441	2.0
138.03157	0.7
139.00388	5.8
140.01178	4.4
141.01891	1.2
145.02917	1.0
149.02444	1.3
149.06071	0.8
151.00365	11.6
153.01904	2.3
155.03484	1.1
161.02399	1.6
163.04057	1.0
165.01920	1.4
166.99890	1.3
167.03462	1.7
168.00653	7.6
169.01421	49.5
173.04512	1.6
175.03987	2.8
177.01907	2.0
178.99904	2.1
179.03488	1.6
181.05092	1.4
183.13921	1.4
193.05058	7.8
201.05344	0.7
215.06998	0.7
225.05493	1.1
227.12923	1.2
259.06067	7.1
269.04562	7.2
287.05624	7.4
313.05530	1.0
379.17822	1.0
383.13312	1.1
401.14471	42.7
402.14883	2.3
553.15479	100.0
554.15637	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	553.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
59.01377	2.1
61.98834	1.1
65.00327	0.5
67.01891	1.0
68.99813	0.3
69.03452	1.2
69.89858	0.3
71.01382	2.2
72.99302	0.8
73.02940	0.9
75.00885	0.3
79.01896	1.1
81.03465	0.7
83.01394	1.1
85.02956	1.4
95.01383	2.0
97.02950	1.1
99.00869	0.6
99.88567	0.3
100.39214	0.3
101.02458	2.2
101.23949	0.3
107.01392	12.0
110.00068	0.5
111.00873	2.8
113.02448	1.0
123.00883	11.8
124.01705	3.0
125.02447	38.4
126.02790	1.0
127.00370	1.2
136.98822	1.9
137.02469	0.8
139.00372	6.3
140.01163	4.5
141.01965	1.6
149.02451	0.5
151.00362	10.1
152.00583	0.4
153.01964	0.8
161.02470	0.5
163.04045	0.5
165.01909	0.9
166.99808	0.6
167.03487	0.6
168.00636	7.4
169.01421	43.6
170.01770	1.6
179.03499	0.7
181.05090	0.7
193.01570	0.4
211.02522	0.5
223.02345	0.3
253.03505	0.3
282.05109	0.3
295.04648	0.4
305.06842	0.3
313.05615	2.1
356.09488	0.3
383.13495	1.1
401.14502	45.9
402.14874	3.1
553.15588	100.0
554.15887	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	553.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.1
64.52297	0.8
67.01868	0.9
69.03458	1.1
71.01376	5.3
71.55040	0.9
72.99311	1.0
73.02940	5.4
75.72221	0.8
77.31948	0.7
80.81313	0.9
81.03465	0.8
83.01363	1.7
85.02937	3.3
87.00860	1.4
89.02448	3.0
94.98074	1.5
95.01379	2.3
96.96001	2.1
97.02923	2.1
99.00837	1.4
100.43779	0.8
101.02432	3.3
103.07240	0.7
107.01391	14.0
108.01702	0.9
108.39002	0.8
111.00865	2.7
113.02448	2.6
119.05035	1.0
120.08856	0.8
123.00860	11.2
124.01657	1.8
124.37682	1.0
125.02445	56.3
126.02760	1.5
134.94220	0.7
137.02460	2.0
138.01695	0.8
139.00381	5.4
140.01146	4.0
141.01837	1.7
149.02299	0.9
151.00359	6.2
165.01938	1.2
166.99881	2.0
167.03462	1.9
168.00665	8.7
169.01421	78.3
169.12297	1.5
170.01756	2.5
173.04523	0.9
181.01422	1.0
183.02916	0.9
188.01352	1.1
193.01387	3.1
203.20479	0.9
211.02480	22.9
212.02789	1.2
232.71405	1.1
241.03580	1.6
243.12245	0.9
266.78577	0.8
271.04568	20.3
313.05661	3.2
331.06702	2.2
401.10788	19.2
402.10797	1.2
405.24936	7.5
423.05780	4.8
483.07797	13.2
490.10608	2.0
553.11938	100.0
553.19482	8.0
553.29706	3.8
554.12317	12.3
554.20221	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71905	2.1
53.50156	2.1
59.01381	16.2
60.99291	2.2
64.54224	1.8
66.43098	1.7
69.93266	7.9
71.01394	3.8
73.02956	2.0
75.50344	1.8
79.95737	2.1
88.98814	14.3
89.02450	4.8
95.68626	2.1
96.96015	2.3
98.19861	2.0
101.02452	3.8
113.02464	2.7
116.55704	2.0
125.02489	11.5
127.85355	1.9
137.02446	4.0
144.98746	2.1
151.00388	6.2
169.01385	11.3
178.99898	5.0
201.11362	2.3
211.02475	4.0
214.02762	2.7
242.02127	3.2
259.02594	2.9
270.01740	5.0
271.02429	21.0
271.04785	3.2
287.01950	12.9
300.02756	5.9
316.02237	74.8
317.02829	18.3
353.13507	2.5
391.17630	3.0
398.38129	2.1
463.08801	100.0
464.09131	8.4
552.22278	3.8
553.19263	10.1
553.31232	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.8
61.98822	3.2
71.53788	1.9
77.20727	1.2
78.95908	30.7
101.84203	1.3
103.55054	1.3
116.14650	1.3
152.99561	3.2
168.04285	5.0
169.01537	1.8
193.55347	1.2
221.65352	1.3
224.06944	11.0
242.07996	3.4
247.24768	1.4
253.21764	22.2
255.34827	1.4
277.21722	100.0
278.22015	5.9
343.64191	1.2
478.29456	5.2
502.29446	82.2
503.29974	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	552.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94022	0.9
61.98829	100.0
71.53738	1.2
72.71742	0.9
79.95730	0.9
80.96519	6.3
94.98035	1.4
123.64209	1.0
125.02420	1.0
140.28674	0.9
152.94092	1.0
225.00630	1.1
278.21854	1.1
553.26965	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	552.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14613	1.6
61.76554	1.4
61.98827	100.0
69.18431	7.5
69.18861	8.3
80.58241	1.8
98.19834	3.0
107.14075	1.8
129.73192	1.5
137.04651	1.7
280.90933	1.6
408.46201	1.7
436.56046	1.7
440.98383	2.0
470.22101	1.7
523.80566	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	552.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35495	1.0
57.27725	0.9
59.01388	3.2
61.98795	1.1
71.01381	1.4
78.95902	31.7
89.38739	0.9
105.45576	1.1
109.49634	1.0
112.69415	1.1
147.23970	1.1
152.99565	4.1
168.04262	5.1
169.01424	1.7
201.11552	1.2
224.06924	11.9
229.54500	1.3
242.07991	3.7
253.21684	10.7
277.21713	100.0
278.22025	4.6
280.79886	1.1
452.57587	1.1
478.29291	3.8
502.29395	72.9
503.29724	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	552.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89676	1.1
59.01373	7.1
61.98824	6.7
69.03465	2.4
71.01379	6.1
71.54850	1.2
71.55350	2.1
73.02952	3.8
75.00858	2.1
81.03464	1.7
83.05039	1.4
85.02958	3.6
87.00890	2.8
89.02435	2.8
93.03451	4.9
95.01392	1.6
96.96026	1.5
101.02451	2.0
106.07156	1.1
107.01384	7.6
111.00875	2.4
111.04527	6.9
113.02430	2.8
119.03490	1.1
119.05027	17.0
121.03017	1.1
123.00845	2.6
125.02445	54.3
126.02851	1.6
137.02440	4.1
145.02942	4.5
151.00334	2.6
155.03497	12.4
163.02716	2.4
163.04012	32.0
168.00645	1.2
169.01419	100.0
170.01726	2.6
173.04541	20.6
191.05600	7.8
198.57959	1.3
211.02547	1.3
217.10873	1.0
243.12122	1.7
252.77614	1.2
269.04718	1.2
271.04578	2.2
291.35782	1.3
313.07111	1.4
319.08224	1.4
325.05649	14.6
337.09378	6.1
343.06656	9.8
370.25980	1.3
401.10922	6.2
403.23459	2.3
405.25186	2.9
489.10367	68.5
490.10916	6.1
551.30988	1.7
552.16608	1.9
552.24304	1.7
553.11749	17.1
553.19037	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	551.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73439	0.5
59.01382	15.3
61.98807	0.6
63.36799	0.5
71.01379	2.8
73.02959	0.7
83.01401	0.7
85.02931	0.9
89.02436	2.8
98.19898	2.5
98.75993	0.6
101.02437	1.8
106.21870	0.6
113.02474	1.3
128.19994	0.6
161.04616	1.4
235.08112	3.0
253.09276	11.9
255.23282	100.0
256.23608	6.3
281.19159	0.7
295.56915	0.8
332.98135	0.6
461.54175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89676	1.1
59.01373	7.1
61.98824	6.7
69.03465	2.4
71.01379	6.1
71.54850	1.2
71.55350	2.1
73.02952	3.8
75.00858	2.1
81.03464	1.7
83.05039	1.4
85.02958	3.6
87.00890	2.8
89.02435	2.8
93.03451	4.9
95.01392	1.6
96.96026	1.5
101.02451	2.0
106.07156	1.1
107.01384	7.6
111.00875	2.4
111.04527	6.9
113.02430	2.8
119.03490	1.1
119.05027	17.0
121.03017	1.1
123.00845	2.6
125.02445	54.3
126.02851	1.6
137.02440	4.1
145.02942	4.5
151.00334	2.6
155.03497	12.4
163.02716	2.4
163.04012	32.0
168.00645	1.2
169.01419	100.0
170.01726	2.6
173.04541	20.6
191.05600	7.8
198.57959	1.3
211.02547	1.3
217.10873	1.0
243.12122	1.7
252.77614	1.2
269.04718	1.2
271.04578	2.2
291.35782	1.3
313.07111	1.4
319.08224	1.4
325.05649	14.6
337.09378	6.1
343.06656	9.8
370.25980	1.3
401.10922	6.2
403.23459	2.3
405.25186	2.9
489.10367	68.5
490.10916	6.1
551.30988	1.7
552.16608	1.9
552.24304	1.7
553.11749	17.1
553.19037	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	551.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00804	0.3
54.18285	0.3
55.01881	0.5
57.03450	0.6
59.01379	6.2
61.98832	3.1
64.69193	0.4
67.01888	1.0
69.03439	0.9
70.84380	1.1
71.01384	4.1
72.99300	1.3
73.02952	1.1
75.00872	1.5
78.95900	1.3
79.01891	1.4
83.01389	1.1
85.02512	0.4
85.02933	2.2
87.00847	0.8
87.04499	0.5
89.02445	1.2
95.01382	1.9
96.96017	0.7
96.99419	0.4
97.02897	0.7
99.00896	0.8
99.75404	0.4
101.02448	2.1
107.01391	3.9
107.05023	0.4
109.02903	0.4
111.00884	3.3
113.02469	1.5
117.01911	0.4
117.03457	1.3
119.03553	0.4
119.04999	1.2
121.02933	2.9
123.00895	11.9
124.01654	1.0
125.02451	20.7
126.02764	0.7
127.00363	1.0
129.01965	0.6
133.06635	0.5
135.04495	0.6
136.98813	1.7
137.02417	0.8
138.99333	0.5
139.00369	5.1
140.01183	4.6
141.01967	2.2
145.02943	5.2
149.02472	0.4
151.00363	9.6
151.04004	0.5
152.99605	0.9
153.01950	0.8
157.38637	0.3
161.02530	0.5
161.06047	0.9
163.04007	2.5
167.03551	0.5
168.00645	7.4
169.01425	27.0
170.01756	0.6
177.01929	0.6
177.04054	2.8
177.05490	0.7
179.03471	0.6
181.05240	0.4
184.08403	0.4
205.05023	1.4
211.02429	2.6
212.02753	0.4
213.12910	0.4
235.06143	1.9
265.07184	4.1
307.45480	0.4
313.05573	0.8
325.09271	1.3
419.09680	0.5
461.05341	0.5
515.22675	1.0
551.24957	100.0
552.25287	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	551.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01746	1.1
57.03447	4.6
58.00603	1.3
59.01380	100.0
61.98848	1.6
67.01884	2.2
68.99805	2.3
69.03449	2.9
69.23575	10.6
71.01385	19.8
72.99317	3.6
73.02942	7.0
75.00867	3.8
76.42941	1.1
83.01402	2.6
85.02953	16.6
87.00878	6.1
87.04543	1.2
89.02445	6.5
95.01385	4.0
96.96065	1.9
97.06555	1.5
99.00918	2.1
99.04539	2.5
101.02451	6.3
109.03001	1.5
111.00890	3.4
113.02460	17.3
116.92848	2.9
119.03516	1.7
119.05028	1.3
121.02995	1.5
123.00869	1.9
123.04501	1.3
125.02436	9.5
127.05984	1.1
129.01927	1.6
131.03496	1.1
132.04543	1.9
137.02411	1.5
139.00365	1.6
139.11246	1.2
161.02414	3.8
161.04587	1.5
164.80751	1.1
165.04126	1.1
165.12822	1.4
169.01428	9.9
171.02902	1.4
175.02548	1.3
189.04044	2.0
205.03607	1.3
205.07248	2.8
207.13902	3.4
209.11821	4.9
211.02487	2.1
223.06284	1.3
225.14905	4.2
227.12883	20.4
228.13162	2.0
251.17142	1.2
253.06152	1.1
263.07739	4.8
269.13974	3.3
271.04752	2.3
281.08716	5.8
283.10901	5.3
286.05637	1.1
287.15002	15.9
309.08707	1.2
323.09717	6.0
327.09866	3.9
345.10788	1.5
359.15424	1.1
361.18643	3.1
371.08649	1.7
371.24203	1.3
389.25424	2.8
399.13141	7.0
403.11240	2.8
403.23340	3.2
419.19055	2.8
475.13806	1.9
475.21472	1.5
519.12457	4.2
519.20789	4.2
533.22449	5.4
533.29480	1.6
551.23303	87.5
551.30859	32.0
552.23657	10.6
552.31323	3.2
558.41125	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58761	0.9
54.63438	0.9
57.03450	8.6
59.01381	14.3
61.98835	7.6
67.01899	1.2
69.03461	2.2
69.18842	6.1
69.19269	2.6
71.01376	6.0
72.99306	2.5
73.02950	3.1
75.00893	3.0
78.95919	1.3
81.03452	1.5
83.01385	4.5
83.05027	3.1
85.02931	5.8
87.00887	2.5
87.04544	1.2
89.02446	1.2
93.03444	7.0
95.01412	1.8
95.05025	1.7
96.96020	4.8
97.02947	2.2
99.00868	1.3
99.04530	1.8
101.02432	3.5
105.03457	2.2
107.01375	8.7
107.86489	1.1
109.02947	2.3
111.00869	2.8
111.04508	8.1
113.02456	4.5
114.11629	0.8
117.03498	0.9
119.04974	1.0
121.02954	1.5
123.00872	6.8
123.04546	1.0
124.01662	2.2
125.02448	100.0
126.02798	2.5
129.02003	1.0
137.02455	7.9
139.00380	2.9
139.03995	1.9
140.01208	2.0
141.01917	1.0
145.02928	2.7
149.02377	1.3
151.00357	2.7
151.03976	1.2
155.03505	9.1
160.12686	1.0
161.02434	23.3
163.04025	1.0
165.01962	1.5
165.05540	1.2
167.03468	2.1
168.00635	2.6
169.01422	86.9
170.01799	2.1
173.04538	14.7
175.03973	1.2
177.01967	3.2
177.05560	2.4
190.02631	1.4
190.07407	0.8
201.05580	1.8
205.05116	1.2
211.02461	2.2
219.06564	1.3
225.14937	31.3
226.15356	1.4
240.02696	1.0
263.12860	1.9
269.04526	3.5
271.04752	1.0
272.72980	0.9
287.05566	5.4
305.06638	1.7
325.05624	10.7
326.06067	1.0
343.06924	2.3
373.25922	1.1
375.27408	1.3
381.19379	2.3
399.12851	2.5
399.20334	6.7
507.22070	1.2
507.28683	1.4
532.87238	1.1
551.13824	7.0
551.21460	38.5
552.21631	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	551.2143
Annotation	Tinosposinenside A
Peak:m/z	Relative Intensity
51.36191	0.8
52.92935	1.0
53.56446	0.9
55.01878	1.4
57.03447	2.3
59.01382	24.5
61.98837	3.4
62.91269	1.0
65.95541	0.9
66.43666	0.9
67.01898	1.7
69.03442	2.3
71.01382	15.0
71.55457	1.0
72.99317	2.6
73.02962	4.4
75.00871	3.1
79.01892	3.3
79.95718	1.0
83.01364	4.6
85.02965	8.2
87.00865	4.1
89.02450	8.7
93.03475	2.7
95.01379	5.3
96.96008	1.6
97.02941	1.5
99.00865	2.0
101.02445	8.5
107.01388	12.8
109.02980	1.8
110.00146	1.3
111.00894	8.4
113.02441	7.3
119.03468	2.1
121.02921	1.0
123.00893	29.4
123.04519	0.9
124.01680	3.6
125.02457	54.3
126.02824	1.7
127.00391	2.1
135.04460	1.3
136.98840	3.7
137.02451	2.9
139.00380	15.0
139.04054	2.1
140.01184	10.8
141.01941	4.0
145.02940	2.1
149.02467	1.0
151.00374	18.3
151.03909	1.0
153.01932	2.3
153.71442	0.9
161.02452	2.2
161.04495	1.3
163.03990	2.2
165.01941	1.8
165.12837	2.8
167.03477	4.5
168.00638	14.6
169.01431	69.6
170.01764	1.8
173.04570	2.4
177.01924	3.3
177.04088	1.4
179.03561	1.1
179.05524	1.4
183.13887	5.0
190.38237	1.0
193.29291	1.0
201.11273	2.7
211.02461	15.2
217.14383	1.9
223.06125	2.6
223.21774	0.9
227.12825	6.1
233.04437	1.5
271.04575	13.9
272.04877	1.0
305.06540	1.0
313.05594	1.7
329.15985	1.6
341.10880	2.9
373.25760	1.5
375.27359	3.3
376.27844	1.2
389.18146	3.3
399.12866	23.4
400.13464	1.4
491.19131	1.6
507.22287	42.1
508.22470	3.5
533.20355	8.7
533.28033	1.3
534.20465	1.1
551.13837	43.2
551.21442	100.0
551.30731	3.8
552.14063	5.0
552.21893	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	551.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03454	6.4
57.40773	0.8
59.01388	4.2
59.47958	0.7
65.93764	0.7
68.99804	1.1
69.53916	0.8
69.57932	5.2
71.01373	3.1
73.02972	1.5
73.43646	0.8
75.00871	2.5
75.19582	0.9
83.01379	1.8
84.02167	1.5
85.02957	17.0
87.00880	8.3
89.02457	1.3
99.00888	1.2
111.00859	1.8
120.43746	0.7
129.01942	12.3
141.01918	1.7
151.01440	0.8
159.03004	3.6
161.50708	0.8
209.06664	100.0
210.06946	1.6
298.04620	0.8
347.10147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2137
Annotation	Lyoniside
Peak:m/z	Relative Intensity
55.01867	2.3
57.03439	3.2
58.00587	1.4
59.01379	37.3
59.84106	0.9
61.98814	2.4
67.01907	1.5
69.69665	4.1
69.70070	1.7
71.01006	1.4
71.01382	24.4
72.99313	2.4
73.02969	5.5
75.00871	1.9
83.01377	3.4
85.02962	7.2
86.00066	1.0
87.00861	2.9
87.04523	1.0
89.02436	21.1
93.03455	2.1
95.01414	1.3
96.96014	7.6
100.22298	1.0
101.02431	4.0
102.82874	1.1
111.00909	1.0
111.04513	1.2
113.02448	4.3
115.04008	1.1
119.03545	1.4
121.02949	4.4
123.00899	6.2
124.01630	4.1
125.02438	4.5
127.83079	1.0
131.03438	1.7
133.03749	1.0
135.02948	1.2
137.02414	5.0
138.03223	13.4
139.03973	4.5
149.04451	1.8
153.05576	14.3
155.03474	3.6
169.01366	5.2
173.04588	5.7
173.05826	1.1
174.03154	1.4
175.03917	1.8
181.01422	1.2
182.02159	1.2
187.04001	6.4
188.04764	1.4
189.05525	1.9
190.26814	1.2
197.04562	5.0
201.05519	1.4
202.06352	6.9
203.07077	3.4
205.05029	1.3
217.08685	1.7
221.08113	3.2
227.12848	1.3
232.07306	1.4
233.08188	10.1
257.08194	1.1
259.02719	2.5
281.04593	1.4
283.10785	1.3
287.14841	2.4
294.05148	1.1
297.07312	1.3
311.05762	1.8
312.06424	1.7
313.07138	3.1
314.07968	1.3
325.06976	3.4
326.08017	2.8
327.08792	3.1
328.62213	1.0
329.06821	1.4
340.09479	3.4
341.06616	1.8
341.10226	6.8
341.68222	1.0
343.08078	2.1
343.11819	1.9
344.09109	2.7
353.08676	8.9
355.11719	6.5
356.08762	1.6
356.12650	1.2
358.10541	9.5
359.11310	13.4
371.11426	10.4
372.11905	1.3
373.12912	19.1
374.13120	1.5
386.13498	5.5
389.12482	6.6
390.13132	1.6
401.16055	10.5
403.12189	4.8
403.23129	3.4
404.14813	8.7
405.15485	4.1
419.17075	53.7
420.17303	4.6
431.14661	1.3
439.10861	1.2
497.59659	1.0
508.41272	1.2
533.30078	1.5
536.19092	10.0
551.21405	100.0
551.30579	10.1
552.21735	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	551.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44023	0.2
57.03433	0.3
59.01375	5.8
61.98830	1.6
65.03952	0.3
66.52386	0.2
69.03469	0.6
71.01377	2.8
71.52412	0.3
72.99314	0.6
73.02943	0.9
75.00875	0.4
78.95891	0.3
81.03427	0.3
83.01379	0.8
85.02938	2.5
87.00881	0.4
88.98796	0.3
89.02450	2.4
93.03454	34.1
94.03789	1.1
95.01354	0.4
96.96023	0.5
97.02933	0.7
99.00862	0.3
101.02428	3.0
103.03984	1.7
104.61410	0.2
107.01400	0.3
108.02203	0.2
109.02988	0.3
111.00875	0.3
113.02428	0.5
119.03473	1.0
121.02936	1.7
123.00854	0.8
123.04511	0.5
125.02438	4.5
126.90746	0.3
129.02005	0.3
134.35127	0.3
137.02437	100.0
138.02788	2.3
143.03496	0.4
145.05107	0.3
151.00362	0.5
157.06537	0.3
161.02460	0.3
163.06117	1.2
165.02065	0.3
167.03596	0.4
169.01404	2.3
175.04036	0.4
181.06532	0.6
191.01936	0.5
199.07629	13.7
200.07962	0.8
243.06599	25.7
244.06989	1.2
247.08223	1.0
307.10153	0.6
381.60278	0.3
427.12518	0.6
533.19824	0.3
539.29913	0.3
539.38971	0.3
551.17950	1.1
551.25269	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	551.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06775	0.3
57.03449	0.5
59.01376	3.5
61.98825	2.8
63.53638	0.3
68.04684	0.3
69.03425	0.3
71.01378	1.3
73.02929	0.5
75.00873	0.9
83.01374	0.3
85.02956	1.2
87.00890	0.6
88.98807	0.4
89.02448	0.5
91.14960	0.3
93.03458	45.9
94.03797	0.8
96.96009	0.8
98.20737	0.5
101.02451	0.7
107.01398	0.5
109.02970	0.4
111.00892	0.3
113.02445	0.7
119.05019	0.3
121.02966	0.5
123.00892	0.9
124.01669	0.4
125.02448	4.9
126.10230	0.3
130.08708	0.3
137.02448	100.0
138.02785	2.5
139.00343	0.3
145.02925	0.4
151.04037	0.3
161.02434	0.7
163.03978	0.6
167.03482	0.6
168.00720	0.4
169.01427	4.3
177.04124	0.4
177.05548	0.4
179.03574	0.4
191.01926	0.4
197.50415	0.3
211.02477	0.3
255.08989	0.3
292.13895	0.3
353.23236	0.5
353.35413	0.3
387.73404	0.3
488.27573	0.8
551.25104	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	551.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51357	0.3
56.58033	0.3
59.01389	3.1
61.61569	0.3
65.00327	0.8
65.03960	4.6
67.01901	2.2
70.31252	0.7
70.31658	0.6
71.01366	1.6
73.02955	0.5
75.00884	0.8
83.01389	0.4
85.02966	0.8
87.00885	0.4
89.02439	0.7
91.01897	27.2
92.02231	0.6
95.01404	0.4
101.02442	0.9
103.95390	0.3
108.02187	0.6
109.02953	28.9
110.03304	0.6
113.02451	0.9
121.02920	0.7
125.02457	1.1
135.00888	79.6
136.01208	2.0
137.02489	0.7
140.03667	0.3
151.00389	0.4
153.01939	100.0
154.02271	2.9
158.67332	0.3
169.01385	0.6
193.05290	0.3
199.07681	0.4
231.12349	0.5
243.06587	3.4
297.06354	0.4
319.04718	0.4
371.24973	0.4
399.13065	0.4
443.11856	3.4
551.24878	0.4
551.30908	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.20015	0.5
59.01149	0.5
59.01383	6.2
60.58633	0.5
61.98830	16.9
65.00329	0.5
67.01884	1.0
71.01379	4.4
71.55544	0.7
72.99310	0.8
73.02937	1.1
75.00857	0.8
76.56811	0.5
79.01882	1.4
79.10992	0.5
83.01388	0.7
83.29741	0.5
85.02947	2.0
87.00858	0.7
88.98794	0.6
89.02445	2.1
94.88412	0.7
95.01379	2.7
96.96017	5.8
97.02924	0.7
100.02366	0.5
101.02443	2.1
107.01389	6.0
111.00885	1.7
113.02447	1.5
116.92847	1.5
123.00882	15.3
124.01640	0.6
125.02448	25.2
127.00359	1.0
136.98805	1.1
137.02399	1.1
139.00359	5.3
139.03979	0.6
140.01172	2.8
141.01906	1.5
151.00372	10.9
153.01846	1.1
163.03999	0.6
168.00688	3.2
169.01418	29.3
170.01794	1.2
177.01817	0.8
186.48415	0.5
191.03485	1.1
211.02419	2.2
223.73410	0.5
224.15279	0.6
227.07109	1.0
253.03418	0.7
256.60641	0.5
271.04578	1.9
293.04550	0.5
313.05621	3.0
325.70776	0.6
350.09052	0.6
353.08710	0.9
371.19025	0.6
389.10782	5.7
405.10336	2.3
461.12582	0.9
551.16095	100.0
552.16559	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	551.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92323	0.6
59.01385	4.4
63.22917	0.6
67.01884	1.4
68.99847	0.7
69.03457	1.2
71.01376	3.4
71.08027	0.5
72.99300	1.0
79.01892	0.9
81.03448	1.1
83.01408	1.0
87.00877	0.7
89.02460	1.4
95.01376	2.1
97.02939	1.3
101.02448	1.9
107.01395	13.0
111.00926	3.8
113.02451	1.3
119.05073	0.6
123.00885	14.3
124.01681	2.5
125.02448	45.3
126.02851	0.7
127.00376	1.0
136.98795	2.1
139.00378	5.9
140.01166	4.7
141.01953	1.4
145.02946	0.9
146.75279	0.6
151.00378	11.5
161.02490	0.8
163.03981	0.8
166.99800	1.0
168.00652	7.7
169.01425	46.3
170.01704	1.2
179.03419	0.6
181.05043	0.7
210.01958	0.6
211.02397	1.2
268.50345	0.6
313.05566	2.1
381.11920	1.4
399.12930	43.2
400.13342	4.0
551.14044	100.0
552.14282	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03449	1.9
58.00587	0.8
59.01378	22.8
61.98831	1.9
67.01893	1.0
69.03450	0.8
71.01379	12.4
71.54040	0.8
72.99318	2.6
73.02934	3.6
75.00874	4.4
79.01896	1.0
81.03460	0.9
83.01401	2.8
85.02949	6.8
87.00860	1.3
89.02444	11.4
95.01405	2.8
96.96039	2.2
97.02973	1.9
99.00901	1.7
101.02444	6.6
107.01393	16.4
108.02209	3.3
109.02975	0.9
111.00864	3.5
113.02467	4.8
115.04012	1.0
119.03510	1.3
119.05053	0.8
121.02993	1.7
123.00887	12.6
124.01653	2.8
124.65660	0.5
125.02448	73.1
126.02792	2.4
127.00378	1.4
129.01964	1.8
131.03526	1.1
135.04568	0.7
136.98824	2.7
137.02435	2.0
139.00372	5.8
139.03976	0.7
140.01198	4.0
141.01904	1.8
143.03419	0.7
145.02956	1.6
149.04584	0.7
151.00381	8.4
151.03986	1.2
152.01143	4.0
153.01929	0.8
159.03024	1.2
159.04486	0.6
161.02405	1.3
161.04681	0.8
163.03969	1.1
167.03436	1.1
168.00667	6.5
169.01421	93.3
170.01787	2.3
171.10269	0.6
175.03979	1.8
177.01869	0.9
177.04059	7.5
181.04999	0.8
187.04022	1.0
189.05693	0.7
193.05069	0.6
201.11307	5.5
205.04985	1.4
211.02432	1.6
220.07347	1.3
227.12842	0.8
235.09746	0.6
271.04578	2.0
305.06787	0.7
311.03989	1.6
313.05600	5.1
329.05139	7.4
339.57663	0.6
341.10330	1.3
371.24219	1.5
387.09506	1.0
389.25363	1.3
399.12958	41.8
400.13223	3.6
401.11191	1.1
401.16049	11.7
402.16342	0.6
403.12463	7.2
403.23166	2.2
481.06317	6.2
494.18246	0.6
533.29547	2.1
550.29736	1.5
551.13983	100.0
551.21283	7.0
551.30676	32.2
551.67065	0.9
552.14191	10.1
552.21802	1.0
552.30933	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	549.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52755	1.7
59.01378	14.6
61.98822	2.6
69.83928	1.4
71.52369	2.2
89.02428	2.6
93.84966	1.7
96.95987	1.7
101.02418	2.9
114.30219	1.7
121.02965	2.7
133.89767	1.5
174.47737	1.5
193.77402	1.9
253.09291	9.1
253.21707	100.0
254.22067	4.9
256.68784	1.6
394.81793	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92415	0.9
55.01876	1.8
56.83259	0.8
57.03450	11.2
58.00587	1.0
58.21646	0.8
59.01376	31.8
61.98833	8.0
62.69695	0.8
65.00314	1.1
67.01873	2.5
68.99821	1.8
69.03453	3.1
69.20931	10.2
71.01383	31.7
72.99301	7.7
73.02939	4.4
75.00873	30.0
77.95744	0.9
79.01892	1.5
80.83746	1.0
81.03450	1.8
83.01394	5.2
83.05020	1.9
85.02950	31.1
87.00877	11.8
88.08633	1.0
89.02441	11.5
91.03996	1.8
93.03416	1.9
95.01393	8.8
96.95996	1.9
97.02984	2.2
97.06596	1.4
99.00871	11.9
99.04533	0.9
99.92570	1.2
101.02462	5.7
103.00362	2.7
107.01390	11.0
107.05118	0.9
109.02955	2.5
109.06580	1.7
111.00889	5.3
111.04490	2.0
111.08150	1.4
113.02448	34.0
115.00333	1.2
115.03954	1.0
115.05389	0.9
116.92865	20.5
117.01973	2.0
117.03502	1.5
119.05028	1.9
121.02946	1.4
123.00877	10.9
123.04574	1.0
124.01665	1.7
125.02448	89.3
126.02789	2.7
127.00352	1.1
129.01909	3.5
131.05052	1.2
133.02885	1.7
135.04599	1.2
136.98787	2.0
137.02512	4.3
139.00386	5.8
140.01172	5.5
141.02010	1.1
143.04991	1.2
145.02972	6.5
149.06061	1.0
151.00369	8.6
151.04099	1.2
153.01904	1.3
155.03459	2.0
157.01381	0.9
159.04472	2.1
161.02466	5.0
161.04594	1.1
161.06055	1.4
162.02736	1.0
163.04010	2.9
165.01906	4.4
165.12840	16.4
167.03516	2.7
168.00595	5.5
169.01422	75.4
170.01733	2.1
171.04509	2.4
173.04524	3.0
175.02469	3.0
177.01942	2.5
177.04042	1.2
179.03525	1.7
181.02802	1.0
181.04922	1.1
181.12245	1.1
183.13895	44.7
184.14218	1.1
187.04024	12.0
188.04404	1.0
191.03456	1.5
193.01392	1.0
197.06029	1.0
199.04048	6.3
201.11311	4.1
203.03575	1.3
203.12868	2.0
204.04221	1.4
205.05057	6.4
205.06989	1.9
207.03008	1.4
207.05058	1.7
209.11919	1.7
215.03447	4.2
215.12769	1.0
219.02942	1.2
223.08031	1.1
225.05589	1.2
227.03484	24.1
227.12863	5.2
228.03830	1.5
231.04977	1.7
232.03841	1.2
233.04514	27.9
234.04817	1.2
243.03001	2.6
243.06538	1.3
249.06096	17.2
250.06422	1.0
251.03363	1.6
252.04184	1.5
255.03001	16.9
256.03665	4.3
260.03928	0.9
261.03995	23.6
267.07196	53.6
271.06134	5.9
273.03775	1.1
277.05014	1.5
280.03705	8.1
281.04245	1.1
293.04633	2.5
295.02591	1.5
295.06052	14.2
296.06628	1.2
297.04092	1.5
301.16461	3.6
301.19821	1.3
313.06268	1.1
319.05978	2.6
329.23178	1.1
332.12750	0.9
335.05499	3.0
337.07126	6.8
339.04865	1.0
339.93927	1.0
353.06845	1.1
363.05405	1.4
371.24152	0.9
373.25870	3.8
375.27621	7.8
376.27771	11.9
377.27972	2.6
381.06161	24.9
381.11044	0.8
382.06296	2.1
384.84637	1.0
389.25110	1.1
399.07144	22.6
399.12897	33.5
400.07806	1.4
400.13037	2.2
413.05316	5.6
415.19812	2.6
459.18744	1.8
477.19858	1.8
491.82333	1.0
507.27698	1.1
533.22198	2.4
550.32977	2.1
551.07910	19.6
551.14185	60.8
551.23468	100.0
551.30945	15.1
552.08032	3.1
552.14496	5.3
552.23834	7.1
552.31232	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52755	1.7
59.01378	14.6
61.98822	2.6
69.83928	1.4
71.52369	2.2
89.02428	2.6
93.84966	1.7
96.95987	1.7
101.02418	2.9
114.30219	1.7
121.02965	2.7
133.89767	1.5
174.47737	1.5
193.77402	1.9
253.09291	9.1
253.21707	100.0
254.22067	4.9
256.68784	1.6
394.81793	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
57.14244	0.4
59.01382	5.4
60.49956	0.4
61.98843	1.1
66.12292	0.4
67.01895	3.7
71.01388	2.5
71.54015	0.5
72.99313	2.5
73.02937	0.8
75.00884	0.8
76.53152	0.6
82.30772	0.4
83.01399	3.2
85.02948	26.4
96.96024	1.1
97.02901	0.5
99.00860	1.0
101.02437	2.1
109.00613	0.5
109.68337	0.4
109.87402	0.5
111.00880	100.0
112.01208	1.9
113.02426	1.0
121.02952	0.7
123.00911	0.7
125.02438	2.6
129.01935	10.5
135.04475	0.4
137.02518	0.7
139.00394	0.5
145.02908	0.5
147.17572	0.5
151.00446	0.6
154.99869	13.3
155.66310	0.5
161.02402	1.2
167.03441	0.6
169.01436	2.3
173.00905	64.4
174.01218	1.7
177.79100	0.5
327.21490	0.5
343.23474	0.5
373.25931	1.3
375.27539	2.5
387.23730	1.1
486.20578	0.6
549.22754	1.6
549.30066	4.4
550.29535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83701	1.3
57.03438	2.0
57.04051	1.3
57.44867	1.3
59.01386	15.7
61.98832	100.0
71.01382	7.5
73.02957	1.9
77.50333	1.3
85.02951	7.1
88.98811	3.5
89.02462	3.5
101.02432	2.8
111.00880	1.5
113.02462	2.8
118.93635	1.4
119.63110	1.6
125.02471	9.8
130.08742	70.3
135.04541	3.1
137.02492	1.8
143.49062	1.4
147.03075	1.5
151.00381	1.7
161.02438	4.2
164.79044	1.3
167.03540	1.3
168.00647	2.0
169.01369	6.6
177.01979	2.6
191.02016	2.4
271.04620	1.9
415.53464	1.6
430.06207	1.6
486.27072	86.6
487.27542	7.9
549.24054	8.0
562.49280	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	549.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.5
57.03450	11.4
59.01106	0.7
59.01377	9.3
61.98819	1.7
71.01386	4.8
71.56486	0.6
72.99316	0.7
73.02949	3.8
74.24369	0.4
75.00864	1.1
79.95759	0.5
81.03453	1.7
83.01385	3.7
83.05048	0.4
85.02943	3.2
86.10866	0.5
87.00881	1.6
89.02445	3.3
89.90095	0.4
93.03458	1.4
93.49660	0.4
95.01395	0.7
95.05037	1.2
96.53670	0.4
96.96010	6.0
97.02967	0.4
97.06602	0.8
99.00938	0.7
101.02451	3.6
105.03471	4.1
107.01395	1.3
109.02978	0.8
111.00885	1.0
111.04481	1.0
113.02433	2.8
114.42303	0.4
119.03516	0.9
121.02983	0.6
123.00887	1.3
124.01675	0.6
125.02448	100.0
126.02812	2.3
132.02228	0.6
132.35802	0.5
133.02971	1.5
135.02921	0.6
135.04562	0.5
137.02440	12.3
137.88271	0.5
139.04062	0.8
145.02916	0.8
149.02460	1.0
151.00322	0.7
152.01225	0.6
155.03528	0.7
159.02963	0.4
159.04457	0.6
161.02444	48.3
162.02824	1.7
163.04018	0.7
165.01958	0.6
165.03995	0.6
166.02705	0.8
167.03493	1.3
169.01413	6.1
173.04575	1.9
175.03989	0.8
177.01993	0.8
177.05522	3.6
179.03503	1.1
179.10817	0.5
181.12312	0.7
197.09923	0.4
201.05626	1.9
203.03412	0.4
219.06596	1.1
223.09738	0.5
225.05577	0.7
227.03369	0.9
228.50787	0.5
229.01479	0.5
231.06711	0.8
241.05035	0.6
243.06659	1.7
245.04654	0.5
249.07872	0.9
269.04523	4.1
271.06235	1.6
287.05606	27.6
288.06009	2.1
305.06683	2.5
321.15854	0.5
325.05695	0.8
345.06299	0.5
369.22955	1.7
387.24036	0.8
401.21994	0.8
417.21567	0.9
531.28143	0.6
549.16119	4.2
549.29468	21.9
550.16382	0.8
550.30054	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06889	7.2
59.01371	15.2
71.01381	18.8
71.09967	7.1
71.10307	9.2
72.99307	65.4
73.02956	36.7
79.63426	6.9
83.01384	11.3
85.02946	36.1
95.01418	12.6
101.02447	21.1
102.71297	5.8
113.02450	67.5
120.19590	8.3
129.01898	16.4
130.42503	7.0
131.03470	38.8
144.26108	6.2
157.01396	20.2
175.02454	26.1
189.03973	12.4
191.05708	9.3
205.03497	6.5
207.05109	100.0
393.65265	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	549.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
57.03448	13.5
57.76728	1.3
59.01381	20.0
61.98833	19.5
65.80849	1.3
69.03452	1.6
71.01371	11.1
71.22354	3.0
72.99303	1.9
73.02937	4.3
75.00874	2.5
81.03458	3.0
83.01375	7.4
85.02960	9.7
87.00885	3.9
87.04556	1.4
88.98808	2.3
89.02428	6.5
91.75665	1.2
93.03474	3.0
95.01387	2.2
96.96024	1.3
97.02940	1.3
99.00879	2.5
99.04536	1.4
101.02428	6.2
105.03426	2.9
107.01301	1.3
109.02946	3.9
111.04507	3.0
113.02443	6.2
117.68079	1.1
119.03493	2.0
121.02934	2.2
123.00887	3.0
123.04514	1.5
124.01656	4.2
125.02444	100.0
126.02795	3.5
130.28447	1.3
132.02179	8.5
137.02443	31.2
138.03154	2.0
139.03992	5.6
145.03015	1.4
149.02448	8.4
151.00375	2.7
155.03436	1.8
157.06442	1.2
159.04407	2.2
160.01683	7.7
161.02422	27.2
161.04530	1.5
164.01059	1.3
165.01932	8.9
166.02713	30.8
167.03485	25.0
169.01416	7.1
173.04532	3.1
173.05997	1.8
175.03989	3.9
176.58315	1.2
177.01947	1.8
177.05560	4.3
178.99934	1.9
179.03484	3.0
179.07143	2.3
179.68051	1.3
179.90974	1.2
183.04530	3.1
185.02444	3.9
190.02733	1.5
197.06081	2.8
199.04005	2.5
201.01949	1.2
201.05624	6.2
203.03506	4.4
204.04207	1.3
205.08675	5.1
213.05325	1.3
214.02678	2.5
219.06570	7.7
221.08202	1.6
223.06094	2.5
225.05530	9.2
227.03549	2.5
231.06723	1.9
241.05061	4.4
242.02255	2.6
242.05852	1.6
243.02957	1.6
243.06557	5.3
249.07655	25.1
249.09856	2.2
259.02484	1.8
261.07687	4.1
269.04535	35.3
270.01794	2.1
270.04718	1.5
271.02444	13.1
287.01929	5.7
287.05609	12.5
305.06567	12.0
316.02252	29.2
317.02805	4.6
323.07651	5.1
325.05676	2.6
329.08691	2.4
343.11380	2.3
369.22879	3.1
387.10928	1.9
401.22064	1.5
411.12915	45.7
412.13272	3.6
431.09909	1.5
449.10904	15.3
450.11389	2.6
463.25421	2.3
467.11920	27.6
468.12286	1.8
505.09921	24.5
505.16925	1.9
506.10446	2.1
549.15314	2.8
549.29858	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	549.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
57.91679	1.0
59.01373	10.2
61.98811	1.7
67.01902	2.0
69.03437	3.1
71.01371	6.4
72.99323	1.5
73.02934	4.0
75.00861	1.9
83.05031	3.2
85.02942	4.6
87.00864	3.4
89.02440	2.1
91.05489	1.1
92.86080	1.1
93.03445	11.6
95.01328	1.7
96.96002	4.8
97.02965	1.7
98.20729	2.4
99.04543	1.2
101.02411	1.7
107.01382	6.0
111.00871	2.4
111.04502	11.2
113.02468	5.2
121.02934	2.7
123.00854	2.0
124.01661	1.7
125.02444	59.1
126.02793	2.1
127.04061	1.2
130.75244	1.0
137.02423	5.7
139.00282	1.3
147.04556	1.2
149.02420	22.4
155.03493	19.9
164.04797	20.9
165.05486	1.2
166.31374	1.3
169.01414	100.0
170.01726	2.5
173.04546	23.4
173.06012	1.6
175.00253	1.1
179.07018	2.8
190.02646	3.5
191.05591	6.2
205.04982	3.2
209.00845	1.9
223.06107	32.0
229.31566	1.4
325.02032	2.0
325.05621	24.4
326.05865	1.4
343.06744	11.7
379.10416	4.0
397.11252	8.2
441.78467	1.5
476.92862	1.3
505.22559	1.5
548.24573	1.5
549.12598	19.7
549.22198	3.7
550.12555	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44818	0.4
56.66119	0.4
57.03440	1.1
59.01379	3.6
61.98820	1.3
65.00330	0.4
67.01898	2.1
69.03456	1.6
71.01378	2.9
73.02931	2.0
75.00868	1.4
79.01904	0.6
81.03459	1.6
83.01381	0.5
83.05013	3.5
85.02942	3.2
87.00867	2.9
88.08122	0.4
89.02446	1.0
93.03460	11.7
95.01378	0.8
96.96030	1.5
97.02966	1.6
97.06577	0.5
98.19938	0.9
99.00900	0.9
99.04519	1.0
101.02430	1.0
106.78571	0.4
107.01393	7.2
109.02943	0.6
109.12589	0.4
111.00891	1.4
111.04514	13.5
113.02446	2.6
117.03472	0.8
119.04989	0.5
121.02940	3.4
123.00894	1.5
124.01695	0.6
125.02446	61.2
126.02803	1.4
127.04031	2.0
131.57149	0.4
132.02164	0.7
137.02438	7.6
139.00401	0.9
147.04518	2.4
149.02437	26.4
150.03058	0.4
151.00354	0.8
155.03496	20.7
163.04010	0.7
164.04788	21.4
165.01945	0.8
165.05228	0.6
168.00674	0.8
169.01416	100.0
170.01772	2.7
173.04543	32.2
174.04865	0.9
175.00327	1.0
175.02570	0.5
175.03925	0.6
179.05687	0.6
179.07126	1.9
183.03004	1.0
190.02727	3.3
191.05586	5.7
191.07146	0.7
193.01518	0.8
201.05626	0.8
205.05040	3.0
209.00932	1.3
211.02460	0.5
219.06595	0.5
223.06100	30.5
224.06473	1.1
245.04568	1.1
258.84277	0.4
259.26913	0.5
267.07150	0.5
307.01218	0.4
325.05637	21.9
326.06070	1.4
343.06729	9.5
344.07010	0.7
357.08252	1.2
365.08606	0.5
375.07022	0.7
379.10281	4.5
397.11426	7.3
480.88425	0.5
548.24615	1.2
549.12531	18.5
549.22675	2.6
550.13031	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	549.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.3
61.98830	6.8
69.31458	15.3
77.03970	1.9
98.19869	3.2
121.02951	100.0
122.03294	1.9
125.02465	2.2
145.71678	1.7
165.01918	56.1
169.01459	1.8
181.06586	2.4
185.06885	1.7
197.06029	2.3
313.07239	2.1
313.17850	5.5
417.09631	3.4
549.10388	28.5
550.11298	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0886
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
57.03433	1.7
59.01377	15.4
60.72337	1.2
61.98814	1.5
62.70971	1.2
68.77615	1.2
69.51692	9.0
70.15239	1.2
71.01375	6.6
73.02940	4.4
76.58263	1.3
78.46315	1.3
83.01387	2.2
85.02951	6.0
85.93791	1.2
87.00895	1.8
88.92212	1.2
88.98825	2.2
89.02463	2.9
96.95996	2.0
99.04543	1.2
101.02453	3.1
107.01414	3.1
108.02185	2.6
109.02969	1.4
113.02460	5.2
121.02926	2.9
125.02451	6.4
148.01726	1.3
151.00354	12.2
161.02470	2.5
163.00334	3.2
169.01405	5.0
175.95039	1.3
178.45427	1.2
178.99870	5.8
211.04057	1.9
226.02649	1.9
227.03456	2.5
243.02931	12.0
255.00476	2.4
255.02975	25.6
271.02475	57.1
272.03003	5.6
299.01801	1.6
300.02734	100.0
301.03464	41.1
302.04028	3.4
401.21613	1.4
459.18597	2.9
463.08801	3.5
505.09879	63.4
506.10291	7.4
538.73175	1.5
546.56866	1.5
549.21295	6.0
549.28949	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	548.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.4
61.98816	1.1
69.03429	1.9
69.28476	2.6
69.28875	6.7
71.01369	1.5
75.50585	0.9
89.02425	1.9
96.96023	5.8
97.02950	1.2
107.01368	4.8
123.00860	3.6
125.02444	63.6
126.02776	2.2
144.68974	1.0
151.00322	2.8
163.06134	2.4
169.01414	100.0
170.01723	3.0
206.40123	1.0
271.04489	1.5
284.80777	1.0
315.07224	4.3
333.08075	1.4
485.09360	51.8
486.09625	4.1
548.17401	2.4
549.13770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11358	0.3
56.47313	0.3
57.03354	1.1
58.00521	0.4
59.01268	3.8
59.01596	1.3
61.98722	1.1
69.03378	0.5
70.98426	0.9
71.01261	2.9
72.13514	0.3
72.99200	0.8
73.02818	1.9
73.03252	0.8
75.00743	2.0
75.80929	0.3
83.01293	0.8
83.04901	1.7
83.12592	0.3
85.02814	3.6
87.00743	2.8
87.04402	0.9
87.04874	0.4
89.02296	1.3
89.07539	0.4
89.64343	0.4
91.03284	0.3
93.03324	3.5
96.95947	0.7
97.02852	0.5
97.06490	0.8
99.00760	0.6
101.02304	1.6
109.11142	0.3
111.00723	2.0
111.04368	3.3
113.02294	2.3
119.03354	0.3
121.10107	1.0
123.00739	1.2
123.08034	0.5
125.02271	2.0
125.09663	0.7
125.66596	0.4
127.03865	0.5
127.11192	0.4
129.01836	0.8
137.02322	0.7
137.09613	0.6
139.11092	1.3
141.12837	0.7
145.02757	1.6
151.00244	0.7
153.09074	0.4
154.99834	0.4
155.03508	3.4
155.10655	0.5
157.12180	1.2
161.04451	0.6
163.03839	0.4
168.00400	0.3
169.01425	2.2
169.02541	0.6
169.12154	1.1
170.01685	0.5
171.10124	0.5
173.00726	1.0
173.04547	11.8
185.11829	4.3
191.05597	0.5
213.11145	0.7
215.12862	9.4
216.13080	0.5
227.28471	0.4
262.74847	0.4
263.28296	0.4
265.07172	0.4
267.66748	0.4
313.23795	1.0
325.23749	1.6
341.23123	1.0
343.24872	8.6
344.25177	0.7
355.24814	3.1
371.24350	2.6
372.24741	0.7
373.25922	100.0
374.26248	7.9
376.14392	0.5
385.21948	0.4
400.70602	0.4
461.24069	1.5
484.19037	7.8
484.25623	0.5
485.19400	1.3
502.70560	0.4
503.28705	1.4
547.31482	29.1
548.31610	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	547.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03382	1.1
57.64820	0.5
59.01266	4.7
59.01600	1.2
61.98718	1.6
61.99014	0.9
67.01836	0.7
67.43940	0.5
69.03373	0.7
71.01262	3.1
72.86692	0.7
73.02827	2.1
75.00750	1.9
83.04936	0.9
85.02820	2.5
87.00754	3.1
89.02348	1.2
93.03324	3.6
96.95905	1.1
97.02850	0.6
97.06487	0.8
98.19824	0.8
99.00809	0.9
101.02296	1.6
109.02758	0.6
111.00748	2.5
111.04375	3.3
113.02306	1.9
121.10138	1.0
123.00774	1.2
125.02277	2.1
125.09622	0.8
129.01860	1.0
137.02299	1.1
139.11166	1.1
142.10693	0.5
145.02774	1.6
145.19046	0.6
151.00296	0.9
155.03517	3.7
155.10614	1.1
157.12173	2.2
163.21298	0.5
169.01253	2.2
169.12277	1.2
173.00760	1.9
173.04539	12.8
185.11855	4.2
191.05528	0.8
193.79153	0.6
197.60544	0.6
203.08730	0.6
205.04881	0.7
213.11327	0.7
215.10939	0.8
215.12865	10.9
216.12921	0.5
313.23862	1.3
325.23672	1.2
341.23349	1.0
343.24875	9.3
344.25134	0.8
355.24875	2.7
358.55026	0.6
371.24628	3.1
372.24268	0.6
373.25922	100.0
374.26321	7.5
385.22272	1.3
419.89838	0.7
461.24277	1.1
484.18982	8.8
484.24503	0.6
503.28854	2.0
547.24554	1.6
547.31500	29.3
548.32037	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	547.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05375	0.4
52.32750	0.3
57.03444	0.6
59.01376	3.8
61.98831	2.3
64.86259	0.3
67.01886	3.4
69.03454	0.4
71.01391	2.0
71.54791	0.4
72.99307	3.3
73.02952	1.1
75.00891	0.4
75.54199	0.4
83.01389	3.3
85.02955	25.7
85.68449	0.4
87.00907	0.6
89.02461	0.5
96.96004	0.8
99.00890	0.9
99.89135	0.4
101.02434	2.1
107.01408	0.4
111.00883	100.0
112.01235	1.9
113.02455	0.5
119.05031	0.7
121.02976	0.7
125.02461	4.2
129.01944	11.4
145.02977	1.1
149.02425	3.1
152.01129	0.6
154.98592	0.7
154.99866	14.2
156.00241	0.4
161.02390	1.0
163.04033	1.0
164.01160	0.5
164.04776	1.7
167.03560	0.5
168.00655	0.5
169.01433	2.2
173.00909	63.1
174.01218	1.1
178.99805	0.6
185.11938	0.5
193.01488	0.5
208.03801	0.6
211.02409	0.7
215.12851	0.4
223.06117	3.5
243.33746	0.4
249.04036	1.1
271.04535	0.7
285.03903	0.4
367.24869	0.7
373.25949	2.8
399.23724	0.4
411.23831	0.9
485.20499	0.8
547.14661	0.7
547.21143	0.9
547.29144	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	547.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.01379	4.8
61.98840	2.0
67.01891	4.0
69.18077	3.5
71.01389	1.5
72.99299	3.0
73.02967	0.8
75.00868	0.9
83.01380	3.3
85.02950	27.4
87.00874	1.0
89.02449	0.7
93.03464	0.5
96.96024	0.4
98.19850	0.8
99.00859	0.8
101.02441	2.2
111.00880	100.0
112.01208	2.5
113.01330	0.4
113.02451	1.0
125.02447	3.0
129.01941	10.8
144.90556	0.4
145.02921	0.6
149.02484	0.6
154.99866	13.9
161.02417	1.3
163.04044	0.4
169.01405	2.3
173.00902	62.3
174.01231	1.9
189.82133	0.4
202.80727	0.3
211.02354	0.4
249.03961	0.4
271.04520	0.6
313.37234	0.4
373.25848	3.7
374.26071	0.5
449.22644	0.4
485.20071	0.7
547.28656	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	547.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36623	0.4
55.01875	1.9
55.02118	0.4
57.03448	4.5
58.00601	0.9
59.01380	27.2
61.98828	0.5
67.01894	0.7
68.99808	1.1
69.03447	1.3
69.43302	2.8
70.03761	0.5
70.66850	0.4
71.01379	27.3
72.99307	8.3
73.02946	5.1
75.00873	24.8
76.18053	0.4
83.01384	4.9
85.02954	26.5
87.00881	7.7
89.02446	7.4
95.01379	3.0
96.96011	0.7
97.02931	3.2
99.00884	7.9
99.39077	0.5
101.02441	7.4
103.00359	2.0
111.00916	1.0
111.04465	0.4
113.02451	27.4
115.00385	2.3
115.03995	1.2
116.01107	0.4
117.01947	1.7
119.03516	1.2
123.00883	0.6
125.02457	6.1
129.01932	1.7
131.03502	4.8
133.01375	0.6
149.04453	0.9
157.01424	1.0
159.10167	0.4
161.02422	1.1
161.04593	0.5
169.01407	0.8
173.04544	6.1
175.02484	3.3
179.03554	0.6
191.05605	1.5
193.01784	0.9
193.03526	12.1
195.99706	0.4
203.92926	0.4
209.90575	0.4
215.05667	0.9
223.06148	0.6
225.15175	0.5
227.12816	1.3
228.13301	0.6
235.04616	7.1
237.35237	0.5
287.05618	0.6
305.06671	0.8
319.10181	0.7
337.07788	3.9
355.08850	1.0
439.00482	0.5
484.18820	2.9
529.22925	0.8
547.23926	100.0
548.24255	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	547.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36623	0.4
55.01875	1.9
55.02118	0.4
57.03448	4.5
58.00601	0.9
59.01380	27.2
61.98828	0.5
67.01894	0.7
68.99808	1.1
69.03447	1.3
69.43302	2.8
70.03761	0.5
70.66850	0.4
71.01379	27.3
72.99307	8.3
73.02946	5.1
75.00873	24.8
76.18053	0.4
83.01384	4.9
85.02954	26.5
87.00881	7.7
89.02446	7.4
95.01379	3.0
96.96011	0.7
97.02931	3.2
99.00884	7.9
99.39077	0.5
101.02441	7.4
103.00359	2.0
111.00916	1.0
111.04465	0.4
113.02451	27.4
115.00385	2.3
115.03995	1.2
116.01107	0.4
117.01947	1.7
119.03516	1.2
123.00883	0.6
125.02457	6.1
129.01932	1.7
131.03502	4.8
133.01375	0.6
149.04453	0.9
157.01424	1.0
159.10167	0.4
161.02422	1.1
161.04593	0.5
169.01407	0.8
173.04544	6.1
175.02484	3.3
179.03554	0.6
191.05605	1.5
193.01784	0.9
193.03526	12.1
195.99706	0.4
203.92926	0.4
209.90575	0.4
215.05667	0.9
223.06148	0.6
225.15175	0.5
227.12816	1.3
228.13301	0.6
235.04616	7.1
237.35237	0.5
287.05618	0.6
305.06671	0.8
319.10181	0.7
337.07788	3.9
355.08850	1.0
439.00482	0.5
484.18820	2.9
529.22925	0.8
547.23926	100.0
548.24255	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	547.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.9
59.01382	21.2
60.31395	0.9
60.99305	17.1
61.98830	8.7
65.00324	1.4
71.01382	6.4
71.54709	1.9
72.99285	2.5
73.02942	4.3
75.00874	3.1
81.03488	1.2
83.01394	3.6
85.02953	10.0
87.00875	1.6
88.98807	100.0
89.02439	2.4
93.03472	1.7
95.01379	1.7
96.96060	2.3
99.00891	2.7
101.02430	4.2
107.01384	3.3
109.03002	1.1
111.00868	3.3
113.02460	3.2
114.44856	1.0
115.92000	1.0
119.05048	2.5
121.02937	4.9
123.00889	2.1
123.04516	2.6
125.02442	17.9
129.01936	1.3
133.02936	1.1
137.02432	4.8
145.02905	2.8
147.02922	1.2
151.00366	6.5
151.03967	3.6
161.02386	1.8
161.38348	0.9
163.00400	1.3
163.03951	1.9
167.03474	7.0
169.01418	10.3
173.00903	1.6
177.01816	1.2
178.99840	1.4
179.86543	1.1
191.01962	1.3
259.06149	1.1
285.03915	1.5
303.05252	1.7
315.01169	1.6
317.02948	9.0
320.81586	1.0
327.04971	1.4
345.05676	1.4
355.24896	2.7
373.25897	7.7
385.12878	4.5
386.55222	1.1
399.24103	1.2
441.28622	1.0
547.14044	1.5
547.22003	4.0
547.28851	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	547.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.4
59.01382	7.7
60.99309	4.6
69.57317	0.7
71.01380	3.4
71.53338	1.1
73.02957	1.4
75.00880	1.5
76.45802	0.7
78.64831	0.8
81.03457	1.1
85.02955	3.0
85.06572	0.9
87.00875	1.5
88.98805	34.5
89.02444	2.2
89.20906	0.7
89.99141	0.7
95.01397	1.1
96.96024	3.7
97.02973	1.1
101.02443	1.8
113.02462	2.3
123.00851	1.2
123.04508	1.9
124.01694	1.0
125.02447	46.9
126.02802	1.0
130.63959	0.9
131.07127	7.5
137.02440	1.8
139.04120	1.2
161.02467	4.3
165.01865	0.9
167.03493	4.7
168.03877	0.7
169.01421	100.0
170.01801	2.7
173.08226	4.4
175.02437	0.8
193.01378	1.5
197.39359	0.7
202.82831	0.8
219.06668	1.2
287.05533	1.8
305.06680	3.7
329.08755	1.2
331.04568	1.7
370.00681	1.0
400.30542	0.8
457.07788	5.6
484.15643	1.1
520.68225	0.8
547.17065	1.1
547.24054	3.2
548.17279	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03469	1.5
59.01382	7.0
61.98839	13.5
66.35769	1.0
71.01382	5.2
72.99284	1.6
73.02940	2.6
83.01395	1.4
85.02942	4.3
87.00880	3.0
89.02481	1.6
95.01385	1.5
96.96011	1.3
101.02456	2.2
107.01408	1.1
111.00904	3.4
111.04523	1.6
113.02441	2.4
117.01922	1.1
123.00873	8.2
125.02448	11.6
127.00364	1.2
139.00388	3.7
140.01137	1.9
141.01979	1.4
145.02969	1.4
151.00342	6.6
155.03520	1.4
157.12280	1.2
168.00629	3.4
169.01428	13.2
173.00877	1.9
173.04570	4.2
177.09644	1.1
185.11780	2.0
211.02480	1.8
215.12947	2.6
267.07556	1.4
343.25043	2.9
371.24414	4.4
372.24808	6.9
373.25925	25.7
405.69275	1.4
483.18695	100.0
484.18973	9.5
522.21265	1.3
547.31708	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	546.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26995	1.1
52.10786	1.1
52.36021	1.2
57.03447	2.3
59.01381	15.9
61.98829	15.3
65.77086	1.4
67.01894	2.5
69.25687	10.0
71.01386	9.5
72.07623	1.1
72.99293	1.6
73.02940	2.5
75.00859	3.8
82.14295	1.2
83.01376	1.5
85.02945	5.2
87.00880	2.7
88.98779	1.6
89.02454	1.8
95.01375	2.4
96.96012	10.4
98.95552	1.4
99.00879	1.8
101.02437	4.7
107.01347	2.2
107.73961	1.4
109.02943	1.2
111.00825	1.8
113.02440	4.0
121.02939	3.6
123.00875	9.3
125.02431	14.2
137.02374	1.3
139.00339	4.9
139.03954	1.9
140.01096	2.3
141.01849	2.0
151.00346	9.8
155.41618	1.2
168.00594	3.3
169.01407	22.7
177.01909	2.1
189.01987	3.1
210.77097	1.2
217.01341	3.8
217.24254	1.3
258.20685	1.4
309.43848	1.3
357.05750	1.5
371.07715	1.9
457.16486	1.4
462.85645	1.4
483.18716	100.0
484.19116	8.2
486.18375	3.5
490.88455	1.6
504.19440	2.9
511.12430	2.6
540.76404	1.5
546.18610	8.2
547.19482	1.7
547.27435	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	546.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27668	1.3
56.20675	1.6
57.03427	2.3
59.01381	23.4
61.98567	1.6
61.98828	14.0
69.03442	1.7
71.01374	12.6
71.52579	3.0
72.99290	2.0
73.02953	2.7
75.00878	5.9
76.21077	1.4
78.17867	1.4
79.01847	1.7
83.01405	1.9
85.02951	5.4
86.94804	1.5
87.00877	4.2
88.98788	2.6
89.02442	5.9
93.03489	2.3
95.01382	3.1
96.96013	69.1
98.95584	5.1
99.00877	2.6
101.02419	8.7
107.01389	5.4
109.02961	3.7
111.00875	4.0
113.02451	7.9
123.00872	12.4
124.01666	2.8
125.02448	25.4
127.49376	1.6
129.01855	1.9
135.02980	4.1
136.98746	1.7
137.02452	4.3
139.00362	4.5
139.04013	3.3
139.75999	1.6
140.01126	4.1
141.01944	1.8
151.00352	9.2
153.05428	1.7
165.05545	1.5
167.03433	2.2
168.00616	3.7
169.01410	34.1
177.01872	6.0
177.04047	4.4
189.01968	4.7
211.02448	2.4
216.00568	2.0
217.01459	8.0
223.13362	3.2
225.14960	2.0
246.07663	3.1
261.44919	1.5
267.12518	1.6
271.04660	3.0
297.03760	2.0
301.03336	2.5
317.03210	2.0
343.11841	1.7
357.06143	12.0
371.07770	8.3
448.09506	3.5
483.18695	100.0
484.19266	11.3
511.12439	14.6
546.23334	5.0
547.20630	2.3
547.27997	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	546.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27668	1.3
56.20675	1.6
57.03427	2.3
59.01381	23.4
61.98567	1.6
61.98828	14.0
69.03442	1.7
71.01374	12.6
71.52579	3.0
72.99290	2.0
73.02953	2.7
75.00878	5.9
76.21077	1.4
78.17867	1.4
79.01847	1.7
83.01405	1.9
85.02951	5.4
86.94804	1.5
87.00877	4.2
88.98788	2.6
89.02442	5.9
93.03489	2.3
95.01382	3.1
96.96013	69.1
98.95584	5.1
99.00877	2.6
101.02419	8.7
107.01389	5.4
109.02961	3.7
111.00875	4.0
113.02451	7.9
123.00872	12.4
124.01666	2.8
125.02448	25.4
127.49376	1.6
129.01855	1.9
135.02980	4.1
136.98746	1.7
137.02452	4.3
139.00362	4.5
139.04013	3.3
139.75999	1.6
140.01126	4.1
141.01944	1.8
151.00352	9.2
153.05428	1.7
165.05545	1.5
167.03433	2.2
168.00616	3.7
169.01410	34.1
177.01872	6.0
177.04047	4.4
189.01968	4.7
211.02448	2.4
216.00568	2.0
217.01459	8.0
223.13362	3.2
225.14960	2.0
246.07663	3.1
261.44919	1.5
267.12518	1.6
271.04660	3.0
297.03760	2.0
301.03336	2.5
317.03210	2.0
343.11841	1.7
357.06143	12.0
371.07770	8.3
448.09506	3.5
483.18695	100.0
484.19266	11.3
511.12439	14.6
546.23334	5.0
547.20630	2.3
547.27997	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	546.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90221	2.0
59.01368	3.8
61.98820	6.7
69.37435	2.2
69.52233	15.4
71.01369	4.5
71.84016	2.4
88.98794	4.5
95.01369	4.5
96.96003	4.1
98.19884	3.8
101.02432	2.6
107.01379	3.9
118.12455	2.7
123.00889	5.4
125.02450	34.5
130.26843	2.5
134.56992	2.1
137.02475	3.3
139.00415	3.6
139.04021	45.1
151.00362	6.1
162.05566	2.5
165.01897	3.2
168.00656	3.2
169.01434	46.6
169.05061	100.0
170.01868	2.2
170.05292	2.9
177.01906	6.7
179.12679	2.4
211.02512	6.5
240.77339	2.3
245.04575	2.1
271.04550	5.6
293.83746	2.8
313.05695	14.0
331.10339	16.4
388.53430	2.3
403.88126	2.6
437.22903	2.4
483.11591	84.9
484.11801	6.3
509.49680	3.1
546.16248	3.0
547.16510	33.4
553.78546	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	546.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.5
61.01352	4.9
61.98832	7.7
69.40114	20.5
69.40515	13.7
71.01385	8.3
73.50504	5.6
76.39783	5.2
77.56812	5.3
85.02924	9.1
88.98810	5.1
96.96005	9.5
98.19866	6.1
111.00832	5.1
112.05611	4.7
113.02464	7.5
113.06107	9.7
123.00880	9.7
125.02454	70.8
131.50006	4.7
138.03271	6.3
139.04012	17.0
151.00342	9.0
157.04996	8.1
167.03610	7.9
168.00562	9.9
169.01425	100.0
169.05017	17.9
177.01891	8.3
211.02403	30.0
242.09671	4.9
271.04523	16.6
313.05383	7.9
423.05566	9.7
483.06921	65.6
484.08261	8.5
513.84277	5.9
547.16144	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	546.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21803	4.2
59.01371	7.5
61.98816	11.5
69.03431	4.1
71.01364	9.9
71.52298	3.8
71.52795	8.5
72.68262	4.5
85.02951	7.0
90.01899	3.9
96.96016	37.4
100.54475	4.2
107.01386	5.0
109.02942	4.3
111.55791	3.8
121.42648	4.7
123.00909	8.8
125.02441	70.2
139.00313	8.2
163.04015	8.7
168.00613	10.4
168.99973	7.7
169.01425	100.0
177.01938	6.4
211.02518	34.9
225.47057	4.2
234.95842	4.1
271.04556	13.6
313.05585	13.4
367.28461	5.6
401.05621	5.0
411.60715	5.6
423.05722	10.6
483.07327	83.1
484.07773	9.0
546.98804	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	545.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	2.2
59.01379	34.0
71.01391	8.2
71.36179	0.9
71.36535	0.8
72.99299	2.5
74.36031	0.8
89.02441	23.9
91.04007	81.7
92.04341	0.9
96.96012	0.9
100.28242	0.7
155.24713	0.8
333.31683	1.5
335.33173	100.0
336.33514	7.5
353.34311	1.9
379.32166	56.3
380.32483	5.2
397.33203	55.0
398.33517	5.0
435.77011	0.9
453.35880	35.7
454.36200	2.8
471.36884	54.2
472.36990	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	545.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61744	2.4
59.01378	34.6
61.98830	4.9
71.01370	8.2
71.52773	3.0
82.88027	2.9
87.94358	3.5
89.02448	22.7
89.77460	3.3
90.60290	3.2
91.04008	82.8
105.37657	2.9
153.39680	2.5
335.29379	5.1
335.33203	100.0
336.33496	9.3
379.27618	4.4
379.32162	62.5
380.32513	4.2
397.33234	53.4
398.33408	4.4
426.31342	3.0
453.35883	42.7
454.36270	4.9
471.30823	5.3
471.36914	63.7
472.37088	7.0
499.13638	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	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
57.03436	0.8
57.17239	0.8
59.01378	16.5
69.03443	1.3
70.96203	1.5
71.01377	9.0
73.02930	2.4
83.01382	1.5
83.05010	1.1
85.02942	3.0
87.00869	1.5
89.02443	12.2
97.02934	2.2
101.02441	14.7
109.06593	1.1
111.08157	19.1
113.02467	4.8
119.03486	3.2
143.03493	1.1
146.50168	0.7
153.12837	1.6
161.04556	5.9
165.12875	1.2
169.12355	4.7
171.10326	1.5
179.05620	2.2
181.12437	0.9
183.13866	1.1
193.12337	0.8
197.11827	90.6
198.12149	3.2
199.13390	6.3
209.11804	0.8
211.13390	8.9
225.14973	0.8
227.12872	2.7
247.20729	1.0
253.09276	48.0
254.09621	1.0
263.20126	5.2
265.18036	1.8
273.18625	1.7
291.19650	34.9
292.20059	2.2
309.20694	100.0
310.21036	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	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03449	1.4
58.00600	0.8
59.01376	15.8
61.98822	2.9
69.03458	1.3
69.21130	3.3
69.21552	2.0
71.01380	11.0
73.02938	1.9
83.01379	1.4
83.05015	0.8
85.02943	2.1
87.00884	1.5
89.02438	10.6
93.07073	0.8
95.01397	0.8
101.02432	11.0
109.06602	0.9
111.08156	17.6
113.02454	6.0
119.03535	3.3
127.07676	0.9
131.03473	0.8
133.22571	0.5
133.32216	0.5
143.03490	1.3
149.04553	0.6
151.11319	1.0
153.12881	1.7
161.04555	6.3
169.12328	6.6
179.05652	1.3
179.10728	0.8
181.12291	1.0
183.13907	0.8
197.11819	86.7
198.12074	3.5
199.13400	6.5
200.33730	0.6
211.13373	10.2
216.12213	0.7
227.12834	1.7
235.08202	0.8
247.20695	0.7
253.09268	45.5
254.09564	1.9
254.62210	0.6
263.20169	5.1
265.18024	2.6
273.18597	1.8
291.19653	27.3
292.19995	2.3
309.20700	100.0
310.21075	6.2
315.01611	0.6
513.84363	0.6
544.16449	0.5
545.29700	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	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11049	0.4
55.01863	0.6
57.03457	2.1
58.00594	0.6
59.01379	16.5
61.45102	0.4
61.98843	2.6
69.03445	1.6
71.01381	10.5
71.05023	1.4
71.54184	0.5
72.99311	0.8
73.02947	2.1
81.03489	0.6
83.01379	1.7
83.05017	1.7
85.02950	2.6
85.06576	1.0
87.00873	1.9
87.04502	0.8
89.02445	9.0
93.07127	0.5
94.58611	0.4
95.01347	0.8
95.05051	0.9
96.96016	1.2
97.02950	2.9
97.06580	0.4
99.00886	0.8
101.02444	10.2
109.06599	1.5
111.00863	1.2
111.04495	1.1
111.08161	7.3
113.02455	4.8
117.82175	0.4
119.03503	2.8
123.08208	0.4
125.02420	1.9
125.09698	0.4
127.07683	0.6
131.03487	0.4
137.09723	1.1
139.11353	0.4
143.03490	1.1
145.04974	0.4
153.12801	0.9
161.04553	5.1
163.11252	0.8
165.12839	1.0
167.03552	0.6
167.10808	0.5
169.01361	1.1
169.12340	2.2
171.10240	2.5
177.12857	0.5
179.05641	1.4
179.14392	1.0
181.12343	1.3
183.13855	0.5
185.11879	0.4
195.13893	7.4
197.11823	35.7
198.12175	1.0
199.13406	3.1
201.11166	0.4
205.12280	0.8
209.15456	0.5
211.13388	4.0
221.15468	3.6
223.13487	2.4
227.12891	1.2
229.19612	0.5
233.15553	0.5
235.08092	0.6
239.16547	1.7
247.20673	2.5
251.16466	0.7
253.09276	40.1
254.09608	1.0
263.20056	2.2
265.18039	1.9
273.18616	1.4
281.21030	0.7
282.62793	0.5
291.19659	35.7
292.20035	2.8
309.20700	100.0
310.21072	6.6
340.16525	0.5
485.30981	0.8
545.29987	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	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66959	0.8
57.03457	3.7
58.00594	1.1
59.01381	17.7
61.98834	6.3
69.03439	1.8
71.01384	8.8
72.99312	2.6
73.02946	3.6
74.81863	0.8
75.00873	6.7
78.00399	0.7
80.78261	0.7
80.91681	1.0
81.03458	1.1
81.06512	0.6
83.01397	2.2
83.05030	2.9
85.02963	6.1
87.00890	4.9
87.04494	1.0
89.02445	3.5
93.03451	4.2
95.01406	1.1
96.96017	4.8
97.02946	1.5
97.06590	1.3
99.00876	2.2
101.02447	3.0
107.01376	1.4
109.02966	0.9
109.41771	0.8
111.00893	2.4
111.04530	4.4
112.98817	1.1
113.02448	5.0
115.00366	0.8
119.03465	0.8
119.05069	0.9
123.00874	2.9
123.08170	1.4
124.01717	0.9
125.02469	10.2
125.09738	1.7
127.00349	1.1
129.01961	1.6
137.02469	2.6
139.00323	1.8
139.07552	0.8
139.11322	1.2
141.09271	1.0
151.00352	2.2
153.09155	1.1
154.99857	1.6
155.03462	4.7
155.10796	1.0
156.41708	0.7
161.04630	1.2
161.95378	0.7
163.04030	1.4
167.03430	0.9
168.00571	1.2
169.01428	11.9
171.10262	10.0
173.04543	15.9
177.01907	1.0
185.11815	1.8
200.80350	0.9
215.12827	1.3
227.12859	1.9
229.59674	0.9
259.94885	0.9
274.35132	0.9
295.15457	0.9
317.03064	0.9
339.05179	0.9
341.23303	7.3
353.23212	2.4
369.22687	1.2
371.24371	100.0
372.24719	5.7
383.04102	1.5
383.21054	1.8
389.25610	1.1
395.13721	0.9
421.47217	0.8
483.18692	4.0
485.25980	1.2
501.27454	4.3
545.29297	17.9
546.30176	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	545.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51738	12.7
59.01368	22.4
61.98837	11.7
69.21962	100.0
79.62757	11.1
94.75890	11.2
125.09775	27.1
159.10245	15.0
185.93735	12.5
213.11205	11.5
252.99356	11.5
253.09291	13.3
291.19641	71.9
300.56647	11.6
309.20578	21.0
403.23544	17.0
526.43274	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	545.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18768	1.2
57.03445	2.8
59.01381	13.4
61.98228	1.4
61.98819	5.0
68.45336	1.3
69.21970	7.2
69.22396	5.8
71.01384	11.4
72.99323	1.9
78.95943	2.1
83.05019	1.8
85.02975	2.9
87.00909	1.5
89.02442	6.8
96.48199	1.7
97.06576	1.4
98.19804	2.9
99.00883	3.0
101.02460	8.2
101.48343	1.3
111.08159	11.9
113.02443	6.0
113.35122	1.4
125.02438	2.2
161.04556	3.5
167.10805	2.5
177.12830	2.5
179.10728	1.8
195.13863	6.7
247.20618	3.3
249.06213	2.2
253.09236	16.4
273.18558	2.6
291.19656	100.0
292.19949	8.5
295.22864	2.7
309.20718	9.0
545.22437	1.6
545.28992	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
55.36416	0.5
57.03444	3.0
58.00585	0.8
59.01378	18.1
61.98816	0.6
68.99794	0.7
69.03448	2.2
71.01382	25.6
71.52390	0.8
72.99306	7.0
73.02942	3.8
75.00871	23.6
81.03407	0.5
83.01375	4.7
83.51836	0.6
85.02949	24.0
87.00874	8.2
89.02446	6.9
95.01371	3.0
95.87883	0.6
96.96008	1.2
97.02950	3.4
99.00881	7.6
101.02442	7.3
103.00364	1.7
104.57717	0.6
111.00861	1.3
113.02445	26.4
115.00332	2.3
117.01930	1.5
119.03509	2.1
123.00890	0.9
125.02449	4.8
129.01942	1.1
131.03484	5.2
137.02435	1.0
149.02438	0.7
149.04570	1.0
150.03133	0.8
151.04005	1.0
153.05595	0.8
157.01349	0.8
161.04564	0.8
163.00194	0.6
163.40698	0.5
165.05513	1.3
169.01430	3.1
173.04523	6.1
175.02444	4.0
177.01994	1.0
185.00858	0.8
191.05627	1.9
193.03529	9.7
215.05537	1.0
225.07645	1.5
235.04570	5.3
241.04849	1.1
337.07788	3.8
355.08981	0.8
410.03922	0.6
434.01868	0.6
482.14026	1.4
545.22382	100.0
546.22736	7.9
557.15167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45607	2.1
53.72583	2.5
57.48178	2.1
61.98832	100.0
70.49901	6.9
75.59311	2.0
90.57290	2.2
96.06153	2.4
101.09364	2.4
116.89515	2.4
124.94820	2.2
130.53638	2.2
154.95316	2.6
203.95877	2.6
208.12636	2.3
212.01605	2.4
300.00153	2.3
397.00934	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	545.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
61.98831	1.5
69.03461	0.2
71.01383	0.5
72.99302	0.2
73.02943	0.2
73.86452	0.2
75.00867	0.4
76.18124	0.1
79.95734	3.5
85.02958	0.5
87.00867	0.2
89.02441	0.2
94.98054	0.2
95.01422	0.2
96.96011	100.0
97.95950	0.3
98.19871	0.5
101.02454	0.2
107.01416	0.4
109.03009	0.2
111.00819	0.2
113.02460	0.4
123.00871	0.4
125.02446	1.4
126.02736	0.2
140.01086	0.2
151.00365	0.8
169.01411	1.4
169.51331	0.1
170.01797	0.2
173.33344	0.2
175.04042	0.2
177.01936	0.4
177.04074	0.2
178.99902	0.3
187.11389	0.2
189.02010	0.2
200.01476	0.2
217.01292	0.2
229.85164	0.3
243.02982	0.3
251.48637	0.2
255.02963	0.8
271.02457	1.5
300.02731	3.2
301.03485	2.1
393.21201	0.4
401.15176	0.2
404.16278	0.2
447.09241	4.3
448.09686	0.4
482.11682	0.6
483.18842	1.7
500.32483	0.2
545.22351	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	544.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18652	0.4
57.03453	0.9
59.01383	3.9
60.07301	0.3
61.98830	100.0
65.07094	0.4
66.17167	0.4
69.03483	0.4
69.56476	2.7
71.01375	1.8
72.99316	0.5
73.02959	0.6
73.58598	0.3
75.00883	0.4
78.95920	1.6
83.01416	0.4
85.02952	1.5
87.00892	0.8
89.02450	0.6
93.37561	0.4
93.41166	0.4
95.01407	0.5
96.96000	3.3
97.02950	0.4
98.20572	0.7
99.00885	0.5
101.02457	0.9
101.88712	0.4
107.01382	0.7
108.02173	1.3
109.02971	2.4
111.00912	1.8
111.04517	0.7
112.98719	0.3
113.02463	1.3
119.03465	0.6
121.02958	0.5
123.00880	1.3
123.04519	0.6
125.02445	8.1
125.03301	0.5
127.00391	0.4
130.08751	1.0
137.02475	1.1
139.00327	0.5
139.04022	2.1
140.01175	0.6
149.02464	0.4
149.06055	0.4
151.00381	1.4
152.99638	0.5
161.02434	0.9
161.04471	0.6
165.01950	0.4
166.13304	0.4
167.03519	1.2
168.00533	0.4
169.01436	4.7
170.01805	0.8
173.00940	0.6
177.01930	3.5
183.13950	1.9
183.41003	0.4
184.14246	1.5
189.01941	3.8
193.05122	0.4
203.03459	0.4
217.01408	8.1
218.01753	0.8
219.03033	0.4
227.12939	1.0
228.13249	0.8
231.02988	0.9
241.01169	0.8
284.03503	0.4
301.07022	0.7
305.06668	1.2
313.07300	0.4
331.21973	0.4
341.06622	6.1
341.10471	0.4
342.07309	0.7
357.06064	4.9
358.06668	0.4
371.07864	0.6
386.76526	0.4
391.55347	0.6
396.86496	0.4
462.66638	0.4
481.11353	13.7
482.12021	1.7
543.24609	2.5
544.18921	2.6
544.26233	2.8
545.10309	0.6
545.23126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56943	0.6
51.54409	0.6
57.03465	0.9
59.01384	4.1
61.98829	100.0
69.30733	3.7
69.83589	0.5
71.01390	2.1
71.97974	0.6
73.02927	0.9
75.00891	0.5
78.27031	0.6
81.03461	0.7
83.01380	0.7
85.02948	1.4
87.00889	0.9
89.02451	0.9
95.01389	0.8
96.96014	6.9
97.03002	0.6
99.00885	1.1
101.02447	1.3
107.01382	1.5
109.02971	1.5
111.00912	0.9
111.04554	0.7
113.02473	1.4
121.03038	0.5
123.00883	2.8
125.02448	8.1
126.02818	1.3
135.28372	0.6
137.02435	1.4
139.00380	1.4
139.04015	2.0
149.02386	0.7
151.00386	2.7
161.02464	0.8
161.55977	0.6
165.01907	0.8
167.03549	1.4
168.00655	1.0
169.01405	11.1
169.84666	0.6
170.01796	1.7
173.04625	0.8
177.01904	4.8
189.01910	3.6
211.02414	0.6
216.00781	0.6
217.01393	5.2
219.02852	0.6
229.38869	0.6
231.02931	0.9
271.04639	0.7
287.05679	0.7
301.07248	1.3
305.06738	1.1
313.07013	0.6
325.05478	0.6
341.06595	3.5
357.06259	6.1
371.07761	0.9
391.55093	0.8
464.25897	0.7
481.11380	11.5
481.17047	1.0
482.11554	1.1
543.23285	5.1
544.23999	7.3
545.23151	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
57.03433	0.6
59.01379	9.9
61.98833	2.1
69.18660	1.2
69.19079	1.9
71.01379	5.2
71.05009	2.2
71.05337	0.4
72.99303	0.5
73.02938	1.4
76.07357	0.3
80.02681	0.7
81.03453	1.0
83.01381	1.0
83.05026	0.9
85.02955	2.0
87.00866	1.1
89.02445	4.6
95.01392	0.7
95.05030	0.8
96.96029	0.7
97.02929	0.6
97.06602	0.4
98.03727	0.6
99.00876	0.4
101.02437	5.5
103.06039	0.3
106.04218	0.4
107.05042	0.5
109.05885	0.6
109.06592	8.5
111.00844	0.5
111.04516	2.7
111.08165	0.7
113.02455	2.7
119.03481	1.5
123.04472	0.5
123.08142	1.2
124.50620	0.3
125.02444	2.0
127.07619	1.1
133.05074	0.3
135.08133	0.4
137.06058	0.4
137.09685	1.0
143.03535	0.5
143.10768	0.7
145.06581	1.8
149.09726	0.7
151.11192	0.6
161.04567	2.2
167.10855	1.8
169.01376	0.9
177.09277	0.4
177.12828	0.6
179.05582	1.0
179.10739	0.9
181.12350	0.6
195.13890	3.4
235.08247	0.6
235.13263	1.1
236.86417	0.3
243.17447	0.4
245.19113	4.1
251.16525	0.5
253.09279	16.1
254.09656	0.4
271.17062	1.0
273.14786	0.4
287.16565	1.5
289.18076	100.0
290.18442	5.3
297.47070	0.3
307.19131	5.3
322.78799	0.4
369.22864	0.4
370.07965	0.3
421.13324	0.3
445.33499	0.4
525.27271	0.5
543.24750	1.3
543.31494	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03450	1.4
59.01379	18.8
61.98825	2.7
69.03456	1.2
70.41057	1.4
71.01382	11.4
72.99329	1.0
73.02940	1.9
75.31052	0.7
80.02652	0.7
81.03461	2.2
83.01381	2.3
83.05020	1.6
85.02952	3.3
86.68909	0.6
87.00876	1.4
89.02441	9.3
93.03506	0.6
95.01360	1.5
95.05031	1.0
96.96021	0.8
97.02950	2.4
97.06591	6.1
101.02447	11.7
106.04248	0.6
109.06527	1.0
110.03746	1.0
111.00888	0.6
111.04527	0.9
113.02450	6.3
119.03507	3.1
119.08696	0.9
121.06604	1.7
123.04517	2.7
123.08151	1.6
125.02458	1.3
125.06104	1.0
125.09741	4.9
133.05080	0.7
135.08148	1.2
137.09705	4.7
141.09184	0.6
141.12840	0.9
143.03462	1.0
149.06026	0.8
161.04530	5.8
161.09709	0.7
163.07579	1.0
163.11284	7.5
165.09203	0.6
165.12863	2.1
171.10274	0.7
179.05588	2.0
179.10771	0.7
181.12340	2.1
183.13788	0.8
185.11815	7.6
189.12805	0.6
191.10791	0.7
191.14410	9.5
193.12181	0.7
207.10233	4.3
209.11836	17.4
209.19624	0.6
210.12151	0.9
211.13402	1.4
217.16017	1.7
225.11305	2.7
226.12024	0.7
227.18071	0.7
235.08234	1.5
237.11307	12.1
245.19102	15.6
246.19444	0.7
253.09271	39.8
254.09659	0.9
263.20135	4.6
264.20477	0.9
271.17017	2.5
281.21170	1.0
289.18091	95.2
290.18451	6.7
307.19141	100.0
308.19507	6.8
325.20313	0.9
525.27161	1.2
543.27863	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	543.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.7
58.56887	0.6
58.62037	0.6
59.01380	3.3
66.66160	0.6
67.01877	1.6
69.03428	1.2
69.66399	1.4
69.66807	1.9
71.01377	5.8
71.17359	0.5
72.02152	1.4
72.99303	0.8
73.02946	15.5
74.26873	0.6
79.01916	0.6
81.03450	1.3
83.05015	2.3
85.02946	3.9
87.00858	1.7
88.98785	1.4
93.03462	12.5
95.04992	0.7
96.96007	1.1
97.02946	1.1
97.06568	1.8
98.19953	0.8
103.04008	2.8
107.01390	9.5
109.02917	0.9
111.00876	1.3
111.03806	1.0
111.04517	12.2
113.02467	0.6
123.00871	2.1
124.01665	1.5
125.02444	62.1
125.09738	4.2
126.02777	1.7
127.03029	0.6
127.03995	1.8
127.07655	5.7
137.02448	7.8
137.09692	1.8
139.00345	1.1
139.07642	1.0
140.01096	1.0
141.09142	1.1
151.00363	1.6
155.03503	22.0
155.10719	1.0
168.00568	1.1
169.01422	100.0
170.01797	3.6
171.01886	1.0
173.04547	27.3
173.11775	5.2
174.04907	0.8
191.05627	2.5
193.01491	0.7
201.05563	0.7
217.10802	13.5
245.04611	1.1
288.08743	0.7
289.03793	0.6
293.99933	0.6
307.04623	1.4
325.05612	22.8
326.05951	1.6
328.45837	0.5
343.06625	4.6
369.11929	1.4
373.15027	7.2
390.11096	1.0
391.11389	2.0
391.16211	7.3
453.10233	1.0
543.17462	69.7
544.17810	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	543.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09278	0.3
52.07487	0.3
54.38346	0.3
55.01865	0.7
57.03436	0.4
59.01380	4.8
61.98820	1.3
65.00323	0.5
67.01878	1.1
68.99821	0.6
69.03445	0.5
71.01377	3.0
72.99317	0.6
73.02934	1.5
75.00851	0.5
79.01899	1.4
80.96511	0.8
81.03427	0.5
83.01384	1.8
85.02940	2.2
87.00869	0.9
89.02458	1.0
92.40870	0.3
93.03441	0.3
95.01380	2.6
96.95986	0.6
97.02937	1.1
98.20648	0.8
99.00853	0.8
101.02458	2.2
107.01388	4.6
110.00105	0.5
111.00873	2.7
113.02443	1.6
119.05037	0.5
123.00887	16.0
124.01612	1.2
125.02443	18.8
126.02781	0.5
127.00390	1.0
127.23369	0.3
135.04558	0.3
135.11818	0.5
136.98787	1.8
137.02425	0.7
139.00360	5.4
140.01163	3.6
141.01942	2.2
145.02957	0.4
151.00371	10.7
151.03992	0.4
151.07678	0.5
153.01935	0.9
154.99892	0.5
163.04054	0.7
165.05286	0.3
167.03531	0.4
168.00627	3.4
169.01418	22.4
169.29559	0.3
170.01807	0.6
173.04591	0.4
177.01907	0.6
179.10748	1.3
181.05048	0.6
189.04094	0.4
211.02435	1.4
223.09737	0.5
229.05046	0.6
271.04443	0.6
274.55862	0.3
277.05624	0.4
300.97888	0.4
313.05661	1.5
323.81778	0.4
480.11240	0.9
543.18280	4.4
543.24432	100.0
544.24823	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	543.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01105	1.0
57.03437	2.9
59.01381	14.9
61.98833	4.9
63.02388	2.0
64.22316	1.0
65.00321	8.0
69.03456	1.6
71.01383	9.4
72.99291	2.8
73.02941	3.7
75.00881	2.3
78.95918	3.2
80.96503	1.7
81.03470	1.5
81.19522	1.0
83.01402	9.6
85.02943	6.0
87.00852	4.2
89.02442	2.9
93.03427	1.2
95.01405	2.1
96.95992	4.1
99.00885	1.6
101.02430	4.9
104.79923	1.0
107.00728	1.3
107.01400	15.7
109.02970	1.9
111.00879	4.2
113.02460	4.9
117.01880	1.1
119.05022	7.5
121.02944	2.4
123.00883	10.6
124.01731	1.8
125.02445	49.8
126.02752	1.9
129.01921	1.1
130.08730	2.4
132.98120	1.0
136.98793	1.4
137.02422	4.3
139.00452	4.8
139.01340	0.9
139.03940	1.9
140.01137	3.5
142.12202	1.1
143.04982	5.5
145.02956	10.5
149.04465	1.5
151.00378	25.4
151.04001	1.6
151.07658	2.2
152.01019	1.5
153.01903	1.4
154.99823	1.2
161.02457	1.0
161.04736	1.6
161.06064	6.9
165.01918	2.3
167.03490	2.7
168.00604	3.8
169.01440	58.5
170.01727	2.2
174.01491	1.2
177.01933	2.8
178.99786	1.3
179.03491	2.6
185.06071	6.2
187.03979	1.2
211.02472	7.2
229.05058	59.9
230.05380	2.7
239.05829	1.5
253.05034	3.5
259.24713	1.0
269.04471	3.7
271.04605	4.3
305.06769	5.0
313.05664	28.2
314.05731	1.5
357.06277	1.6
391.19440	1.9
411.28189	1.1
415.03217	1.1
499.32285	1.7
542.23468	1.6
543.11377	100.0
543.24054	33.3
544.11768	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	543.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02037	1.0
59.01375	6.2
61.98806	3.3
65.00310	2.7
67.01873	1.1
69.03436	1.4
71.01382	5.2
72.99296	1.6
73.02917	1.4
79.95698	2.9
83.01373	6.2
85.02937	4.6
87.00870	1.6
88.98780	1.8
89.02402	1.8
90.17546	1.1
94.98085	11.9
95.01371	1.9
96.96009	23.4
97.02926	1.2
99.00894	1.5
101.02402	1.7
107.01374	13.8
107.21086	1.0
107.62466	1.0
111.00850	3.0
113.02424	3.3
119.04991	3.6
123.00848	7.3
124.01585	1.1
125.02441	49.9
134.55547	1.1
137.02391	1.3
139.00391	2.1
143.04991	4.8
145.01982	1.4
145.02942	11.3
150.99373	1.3
151.00369	19.1
151.36661	1.0
157.06664	1.1
161.06076	6.0
167.03456	1.7
168.00601	3.1
169.01419	70.1
176.04338	1.1
185.06050	5.9
199.13368	5.6
211.02448	4.5
217.01311	1.6
229.05042	60.4
230.05447	2.3
241.03477	1.3
253.04990	3.0
271.04538	3.6
300.02548	1.4
313.05634	28.9
316.02246	1.6
317.02850	1.1
407.19110	1.2
447.09357	1.7
459.41724	1.2
463.21075	5.3
481.10983	2.4
481.17316	1.4
543.11206	100.0
543.18726	9.3
544.11517	8.3
544.19165	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	543.078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45574	0.8
57.03450	2.2
59.01379	18.4
61.98823	9.0
69.65622	1.0
71.01382	6.1
71.55888	0.8
72.59341	0.7
73.02937	2.1
75.00859	1.3
81.90911	1.0
83.01360	2.0
85.02953	5.9
87.00875	1.1
89.02458	2.4
93.03471	0.9
96.96002	3.0
99.00867	1.2
101.02437	3.3
109.02969	0.9
111.00882	2.1
113.02436	3.7
119.03509	1.0
121.03017	0.8
123.00917	1.7
125.02453	8.3
137.02425	2.1
139.04019	1.0
159.90479	0.9
161.04599	1.3
167.03535	1.5
169.01457	6.8
171.10257	2.1
177.01935	1.1
183.03046	1.1
211.02490	0.9
224.04849	1.1
236.04753	2.9
237.61183	0.9
252.04346	1.3
264.04327	2.7
265.05151	1.5
267.02740	1.0
280.03738	13.1
281.04285	1.4
295.02335	1.0
307.19080	1.3
308.03256	41.9
309.03842	8.9
317.03088	1.2
324.02780	1.4
336.02765	10.2
337.03476	10.0
340.79425	0.9
351.01401	12.1
352.02036	1.4
380.01706	67.5
381.02441	29.0
382.02856	1.1
483.29675	1.6
501.30612	1.1
542.23181	1.2
543.07806	100.0
543.23792	4.3
543.31427	3.7
544.08002	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	542.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	30.3
61.98818	33.6
67.01873	8.2
69.79987	18.6
69.80376	21.8
71.01380	24.3
81.01728	7.1
81.04984	6.4
82.01162	7.6
83.65743	7.0
85.02955	8.8
86.24621	6.6
87.00823	8.2
89.02475	18.4
95.01389	10.4
96.96001	37.6
98.20660	12.1
101.02484	10.3
107.01414	8.5
113.02473	17.3
116.92900	11.0
123.00874	20.9
125.02445	64.0
126.02768	10.4
139.00389	16.7
150.03195	13.3
151.00391	20.1
168.00655	9.8
169.01418	67.8
170.01845	18.8
176.41214	7.1
211.02458	13.5
212.03056	7.9
271.02267	11.9
271.04788	11.1
273.04749	9.1
313.05728	12.1
316.02234	30.4
317.03058	9.1
323.16675	7.9
331.95276	7.5
389.11124	9.7
390.10895	12.3
390.18692	9.7
415.05453	8.2
479.07599	38.7
493.19901	11.0
494.19907	16.2
541.21942	60.8
542.12134	21.2
542.21124	100.0
543.21118	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	541.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65836	0.7
55.01862	1.2
58.00586	1.3
59.01377	97.9
61.98819	1.3
62.88160	0.7
67.01874	0.8
69.03439	2.4
71.01379	18.9
72.99303	2.0
73.02952	3.4
75.00900	0.9
83.01379	2.8
85.02957	7.5
87.00868	2.2
89.02448	16.2
95.01379	2.2
96.96002	3.3
97.02950	7.6
98.19898	2.9
99.00905	1.9
101.02444	13.6
107.01391	4.5
109.02974	2.3
111.00932	2.1
113.02457	10.0
119.03507	8.9
123.00890	10.9
124.01670	2.2
125.02446	22.1
131.03554	1.2
135.04488	0.8
136.05281	1.0
136.98776	1.1
137.02406	1.9
138.03215	1.2
139.00375	4.7
140.01157	4.3
143.03473	2.8
149.04568	1.1
149.06094	0.8
151.00381	7.7
153.01891	0.8
153.09218	0.9
153.77562	1.0
159.03035	1.4
161.02396	0.9
161.04533	6.8
164.04951	1.0
165.01956	0.9
166.36282	0.9
167.03458	1.1
168.00618	6.5
169.01421	28.9
170.01765	1.8
171.02090	1.0
177.01814	0.7
179.00027	0.8
179.05605	3.4
179.07056	1.7
195.46442	0.7
196.69475	0.8
197.86446	0.7
211.02455	15.0
271.04559	14.0
301.16672	2.8
313.05759	1.9
319.19128	1.5
379.24634	0.8
451.23407	0.9
463.23340	2.8
481.24402	19.8
482.24765	2.3
541.22876	100.0
542.23260	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	541.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	0.5
59.01378	3.0
61.98820	3.1
69.03413	0.5
71.01373	1.3
72.00909	1.2
72.29287	0.4
73.02940	0.7
74.02472	2.0
82.02983	1.9
83.48811	0.3
84.04531	2.1
85.02977	0.9
86.02475	13.7
88.04037	0.6
89.02454	0.6
96.04543	0.6
96.96028	0.4
98.19884	0.7
101.02425	1.0
102.98614	1.6
107.06142	0.4
109.07723	0.9
113.02419	0.6
120.01254	19.1
123.00870	0.4
125.02466	2.1
127.05140	2.9
127.07892	0.8
127.08783	10.9
127.09713	0.5
128.03542	100.0
129.03891	1.7
135.05693	0.6
137.02461	0.6
153.05516	0.7
153.06688	6.8
165.12843	1.5
169.01399	1.1
171.07758	32.8
172.08112	0.5
179.04572	1.2
197.05698	0.9
213.03426	1.3
215.06676	5.9
231.04440	9.0
234.18695	0.3
247.20596	0.8
249.05498	50.2
250.05684	1.6
273.18491	0.6
291.19666	5.8
305.17566	0.5
323.76764	0.4
412.21460	1.1
499.29434	0.4
523.24548	0.6
541.24249	0.6
541.30884	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	541.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90166	0.4
58.27339	0.4
59.01105	0.5
59.01376	8.1
60.10239	0.4
61.63873	0.4
61.98811	1.4
62.26383	0.4
67.01874	0.7
69.03454	0.6
69.55785	0.3
71.01382	3.8
71.55331	0.4
71.55774	0.5
72.99327	0.6
73.02939	0.7
79.01900	0.9
81.03443	0.6
83.01387	1.2
85.02941	1.3
87.00877	0.9
89.02411	1.9
95.01379	1.3
96.95965	0.9
97.02958	0.7
99.00867	0.6
101.02462	2.1
107.01386	3.9
109.02938	1.0
111.00881	2.1
111.08174	0.5
113.02456	1.8
121.14397	0.3
123.00871	8.3
124.01649	1.4
125.02447	16.8
126.02751	1.4
127.00380	0.7
136.98779	1.2
137.02455	0.7
139.00381	3.2
140.01173	3.4
141.01950	1.1
145.06363	0.4
150.03140	0.4
151.00357	7.1
151.07730	0.3
152.00856	0.4
153.01926	0.6
153.09149	0.8
154.99829	0.5
157.35760	0.3
159.01567	0.5
165.05540	0.4
167.03488	1.4
168.00635	6.2
169.01421	27.5
170.01743	1.4
171.01788	0.7
177.03966	0.4
179.03490	0.5
181.05081	0.5
204.52606	0.4
205.01537	0.4
211.02464	14.2
212.02873	0.4
271.04578	13.4
272.04965	1.1
272.95618	0.4
313.05634	1.3
317.03076	0.7
327.08685	0.5
393.27567	0.4
486.01239	0.4
541.22815	100.0
542.23187	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	541.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.0
59.01380	39.1
71.01384	9.1
71.53875	1.2
72.99287	1.0
73.02943	3.4
79.01871	1.1
83.01376	1.7
85.02940	4.1
87.00857	1.6
88.98765	2.9
89.02454	4.4
94.97535	0.6
95.01360	1.9
96.96004	5.4
97.02919	1.2
98.95546	3.0
98.96446	0.7
99.00853	1.7
99.61523	0.7
101.02443	7.6
102.87703	0.6
107.01392	5.0
111.00829	2.4
113.02434	3.9
119.03455	2.2
123.00116	0.8
123.00881	10.5
124.01097	0.8
125.01498	1.3
125.02448	18.2
126.02744	2.7
138.01894	2.2
139.00371	5.0
140.01082	3.1
141.01953	0.9
147.11748	1.1
151.00343	7.1
152.00627	1.5
153.01910	1.1
161.04471	0.8
168.00566	2.8
169.01445	20.7
170.01649	2.1
171.01854	2.2
209.11711	1.0
211.02429	4.5
227.12735	1.1
270.01520	0.9
271.04532	4.9
293.09244	1.3
313.05402	2.2
326.08688	0.8
349.67355	0.7
389.18170	34.0
390.18137	2.1
452.08331	3.2
481.17126	5.4
504.98383	2.3
510.18295	1.3
523.18365	3.9
540.21222	2.4
541.19342	100.0
542.19696	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	541.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.6
59.01376	7.5
61.98827	1.9
67.01897	0.8
69.03445	0.7
69.32374	3.3
71.01379	3.9
72.99328	0.5
73.02941	0.5
79.01897	0.7
82.02293	0.3
83.01401	0.9
85.02960	1.4
87.00883	0.8
89.02438	1.6
95.01385	1.2
96.96004	0.9
97.02943	0.7
98.19849	0.8
99.00909	0.8
101.02438	2.3
107.01391	3.8
109.02958	1.1
110.00095	0.4
111.00861	2.2
112.01219	0.4
113.02444	1.5
119.03472	0.6
123.00898	10.1
123.04457	0.6
124.01678	0.8
125.02449	18.5
126.02857	0.6
127.00396	1.1
136.98810	1.5
137.02397	0.7
139.00369	4.0
139.03992	0.5
140.01184	3.3
141.01915	1.2
146.32721	0.3
149.98451	0.3
150.03181	0.7
151.00363	8.3
151.03990	0.8
153.09232	1.2
154.99846	0.5
161.04657	0.4
163.03964	0.6
165.05579	0.7
167.03505	0.7
168.00636	5.5
169.01428	25.7
170.01768	1.1
171.01903	0.4
211.02486	16.1
212.02760	0.9
241.03441	0.7
247.24199	0.4
271.04596	15.2
272.04910	0.6
297.44653	0.4
313.05685	1.1
317.03082	1.0
426.08020	0.4
482.40594	0.4
541.22858	100.0
542.23279	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	541.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77672	0.6
55.01874	1.3
57.03435	1.0
59.01379	38.8
61.98816	0.7
64.69244	0.6
67.01884	1.2
71.01386	9.2
72.99309	1.4
73.02926	2.4
79.01893	1.0
83.01360	1.6
85.02944	3.3
88.98771	2.5
89.02438	4.4
95.01350	2.0
96.96011	6.8
98.95609	3.4
99.00852	1.1
101.01910	0.8
101.02450	8.6
107.01368	4.7
109.02944	0.8
111.00836	3.0
113.02431	4.4
119.03465	1.5
123.00884	10.9
124.01173	1.5
125.02451	18.7
126.02732	2.1
136.98779	0.9
138.01918	2.5
139.00385	4.6
140.01103	2.0
141.01892	1.1
147.11774	1.2
151.00377	6.5
152.00690	1.5
153.01888	1.3
161.04437	1.3
168.00568	3.1
169.01424	19.8
170.01707	2.0
171.01723	1.3
197.39221	0.8
211.02437	5.9
238.58275	0.8
271.04626	4.1
293.09357	1.0
294.09933	1.7
313.05484	2.3
371.16830	1.0
389.18155	34.7
390.18362	2.5
393.27609	0.8
452.07953	2.6
478.15579	0.9
481.17227	6.0
504.98431	2.3
523.18152	4.2
540.21112	1.7
541.19299	100.0
542.19336	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	541.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.2
59.01109	1.3
59.01382	19.5
61.98829	10.4
69.03450	3.0
69.35101	8.0
71.01367	5.9
73.02947	2.9
75.00859	1.9
77.10844	0.9
81.03447	1.0
83.01383	2.3
85.02939	4.2
87.00898	1.3
89.02467	2.9
95.01366	2.2
96.95988	1.2
97.02959	3.7
99.00876	1.2
101.02426	4.1
105.59436	1.0
106.65297	1.0
107.01376	2.4
111.00947	1.1
113.02454	4.0
119.03497	1.1
123.00885	10.3
124.01670	20.5
125.02448	56.5
132.35201	0.9
135.04550	1.4
137.02420	3.5
139.00349	1.3
149.99586	32.7
151.00320	2.8
151.79417	1.2
157.10077	1.2
161.02426	2.5
161.04585	1.4
165.01898	1.0
165.12851	1.7
167.03476	3.3
168.00639	62.6
169.01402	15.8
170.01727	1.4
183.13878	4.5
183.94212	1.0
313.05563	2.3
315.72235	1.0
317.13846	1.2
331.06683	2.7
453.43359	1.1
497.20282	1.4
506.18890	1.0
523.18079	1.5
540.28864	1.3
541.19196	100.0
541.29504	8.4
542.19489	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	541.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01382	7.3
59.03289	0.3
61.98831	5.1
65.00325	0.5
67.01871	0.7
69.03465	1.5
69.25946	3.2
71.01385	2.4
72.99292	0.5
73.02937	0.8
75.00877	0.5
78.95905	0.9
79.01892	0.7
80.96516	0.6
81.03479	0.7
83.01404	0.9
83.05031	0.4
85.02954	1.5
87.00875	0.6
89.02437	1.0
95.01389	1.3
96.96014	1.6
97.02939	1.6
98.19859	0.8
99.00876	0.6
101.02438	1.5
107.01394	16.9
108.01770	0.4
109.02978	0.8
110.03303	0.4
111.00889	1.7
113.02448	1.1
118.02246	0.3
121.02988	0.6
123.00874	3.3
123.04532	0.7
124.01682	1.2
125.02447	62.6
126.02772	2.1
127.00358	0.5
127.02961	0.6
135.08145	0.4
136.98831	0.8
137.02470	1.2
139.00378	2.0
139.04021	2.6
140.01151	1.5
151.00374	2.7
160.01712	0.3
165.01942	0.5
166.99873	0.5
167.03516	0.8
168.00655	2.6
169.01422	100.0
170.01775	3.3
171.01894	0.7
183.03004	5.1
183.13858	0.6
211.02446	2.1
270.08945	0.8
271.04514	2.2
271.18976	0.4
285.11163	0.6
290.07645	0.5
298.08368	0.4
313.05676	1.7
317.03067	1.1
319.19128	3.9
325.10809	0.4
331.06888	0.4
341.10349	2.4
342.10843	0.4
344.12585	0.4
356.12979	0.5
357.13281	0.8
371.14941	1.3
373.25177	0.4
389.14890	0.7
541.17126	16.9
541.23450	8.3
542.09937	0.6
542.16510	2.4
542.24512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49414	0.7
59.01380	6.2
59.94627	0.8
69.48514	3.6
69.48923	1.6
71.01384	5.2
71.05036	0.9
72.99314	2.2
73.02919	1.0
75.00891	4.7
75.01234	0.7
78.95918	3.5
78.96319	0.7
85.01013	4.4
85.02946	3.0
87.00854	1.7
88.98791	2.1
89.02441	2.5
95.01424	0.7
96.96018	0.8
99.00906	0.9
101.02433	3.0
103.00351	1.5
103.02018	1.0
109.08102	0.7
111.00867	1.3
112.28456	0.7
112.98810	6.4
113.02475	4.0
115.00356	2.2
115.02073	2.1
117.01908	1.8
118.27377	0.8
125.02435	3.3
125.08874	0.7
127.02078	1.0
129.01837	0.8
142.99840	0.8
145.01416	13.3
145.03154	1.4
157.01439	1.1
157.03134	1.7
158.92548	0.9
159.04698	2.6
169.01390	3.2
169.03073	1.3
187.02495	0.9
187.04147	2.0
200.05585	2.3
205.05328	1.1
263.05737	1.5
295.10086	1.0
309.11795	0.8
321.09949	10.4
335.11594	6.0
344.15204	0.8
363.10938	3.8
393.08408	2.4
417.31879	0.8
424.95438	0.9
449.11102	1.1
453.06619	1.4
509.13373	4.2
532.73926	0.9
541.15851	100.0
542.16199	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	541.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.8
64.03410	1.4
67.01908	1.4
69.03468	1.4
71.01395	10.6
72.99277	1.5
73.02934	2.1
75.00861	1.5
75.30722	1.3
78.65292	1.3
79.01875	1.6
82.95410	11.9
83.01384	2.1
85.02940	3.0
89.02418	4.2
89.45339	1.4
95.01379	3.9
97.02943	1.8
100.27953	1.2
101.02431	4.9
107.01390	18.3
111.00844	4.8
113.02488	3.2
119.03480	1.5
123.00892	25.3
124.01659	3.7
125.02448	53.2
126.02744	1.6
127.00351	2.9
130.87450	1.2
136.98811	2.9
137.02402	2.4
139.00395	11.9
139.04021	2.0
140.01134	9.4
141.01942	3.5
151.00378	15.6
151.04094	1.4
165.01976	2.2
166.99821	1.5
168.00655	12.8
169.01428	69.4
170.01758	3.1
179.03497	1.9
180.04202	2.5
181.05064	2.6
181.18875	1.2
183.02998	9.9
194.05867	2.6
195.06564	3.8
209.08086	2.3
210.01726	1.7
211.02451	15.2
225.04086	6.4
271.04568	12.8
285.06036	3.4
313.05679	3.3
385.43002	1.4
389.10873	28.5
469.13022	1.7
479.08209	2.1
539.66772	1.3
541.15179	100.0
541.23151	7.5
542.16510	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	541.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09955	1.5
59.01102	2.4
59.01379	35.4
60.99298	2.6
61.98827	2.1
69.22498	14.9
71.01382	22.3
72.99292	2.1
73.02946	2.7
79.01900	2.4
83.01391	2.0
85.02945	4.5
85.80961	1.4
87.00882	2.7
88.98803	11.7
89.02439	17.3
95.01392	4.0
96.96010	4.1
97.02987	1.6
101.02433	17.6
107.01383	11.9
109.02984	1.5
111.00883	4.0
113.02436	7.2
119.03504	8.1
123.00893	19.5
124.01649	2.7
125.02448	41.2
136.98753	2.8
139.00365	6.4
140.01126	5.9
141.01915	2.4
150.03188	1.4
151.00380	15.5
168.00664	10.7
169.01430	55.0
170.01782	3.5
191.33232	1.3
203.43199	1.4
209.04442	1.7
209.11827	10.4
211.02470	15.9
227.05553	2.9
271.04596	10.2
275.21939	1.4
313.05508	2.4
389.10873	89.6
389.18204	20.1
390.11200	5.1
410.74310	1.7
423.26010	3.8
451.12518	10.2
493.19427	1.6
540.21948	3.6
541.11847	100.0
541.19470	76.4
542.12134	9.8
542.19672	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63775	0.7
59.01358	2.0
63.31006	0.7
67.01894	0.8
69.03461	0.8
69.32440	6.3
71.01380	2.5
73.01468	0.6
73.02943	1.4
79.01887	1.3
82.95408	1.3
83.01408	1.0
85.02930	1.4
87.00877	1.0
89.02441	0.7
95.01398	1.7
97.02944	1.3
98.19926	1.4
101.02438	2.2
107.01382	10.1
111.00858	2.9
113.02421	1.2
123.00883	11.9
124.01669	2.3
125.02444	39.3
126.02676	0.7
127.00346	0.8
136.98779	0.9
139.00342	4.2
140.01166	4.9
141.01901	0.8
142.90562	0.6
151.00380	9.1
153.01849	0.7
168.00621	5.9
169.01418	50.7
170.01735	1.1
171.61140	0.7
181.04991	0.8
203.91479	0.7
211.02557	1.1
214.74437	0.7
253.03374	1.0
271.04501	1.4
313.05582	3.6
318.86255	0.7
325.32050	0.7
371.09729	2.2
389.10876	42.0
390.11169	1.4
490.23648	0.7
541.11871	100.0
542.12103	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	541.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
59.01382	1.6
61.98820	1.5
69.03424	1.0
69.81165	2.8
71.01385	4.1
72.99302	0.7
75.00875	0.6
78.95921	1.4
79.01911	0.6
79.98441	0.5
81.03450	0.9
83.01411	0.6
85.02969	2.0
87.00877	3.2
88.98804	0.8
89.02409	0.6
90.06279	0.5
91.58519	0.5
93.93258	0.5
95.01376	1.3
96.96003	1.7
96.96955	0.7
97.02942	2.2
98.19955	0.9
99.00916	0.6
101.02445	0.8
107.01387	5.9
109.03020	0.6
111.00859	1.6
113.02491	0.9
113.85667	0.5
122.06099	0.6
123.00880	6.8
124.01674	1.1
125.02445	64.6
126.02779	1.3
129.01926	3.2
135.04474	0.8
139.00345	2.3
140.01134	0.8
141.01938	0.7
149.02417	0.9
151.00357	8.1
151.03952	1.1
153.01955	0.6
165.01875	0.6
167.03540	0.7
168.00592	2.3
169.01418	100.0
170.01753	3.7
172.85338	0.5
211.02419	2.8
219.05077	1.2
223.02502	5.0
236.18794	0.5
241.03510	5.4
261.97113	0.5
271.04483	0.7
283.04626	3.0
290.41806	0.5
301.05600	6.5
313.05612	1.2
371.06137	3.7
389.06366	3.9
389.11432	5.3
393.04529	1.5
453.06717	32.0
454.07065	2.3
461.06735	1.1
479.14276	0.7
493.13644	1.8
497.13391	1.4
523.07227	9.6
541.08722	20.3
542.09229	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	539.2626
Annotation	CHEBI:68152
Peak:m/z	Relative Intensity
59.01375	4.6
61.98842	6.4
65.19360	1.2
69.78764	1.2
71.01389	1.9
73.20432	1.0
75.69158	1.3
78.95907	35.2
78.96375	1.8
80.19975	1.1
96.96968	3.3
99.08157	2.2
113.09723	3.6
117.73601	1.3
125.02375	3.0
128.93710	1.3
129.09218	4.1
150.97980	1.4
151.11270	1.4
152.99585	47.5
169.01398	2.3
169.12267	2.3
171.00639	3.0
171.10039	1.4
181.12340	2.2
183.13916	2.7
197.11827	8.4
199.13420	3.8
211.13417	11.7
227.03247	5.8
245.04385	2.0
277.10425	1.3
293.21283	10.9
309.20535	1.5
311.22263	47.0
312.22552	2.9
370.91974	1.5
447.21411	2.1
539.26288	100.0
540.26569	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	540.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00078	0.9
55.01870	1.5
57.03452	1.3
59.01379	8.3
61.98528	1.5
61.98831	24.5
68.99825	0.9
71.01385	8.2
71.56012	1.0
72.99319	1.2
73.02938	1.5
75.00867	1.5
79.01926	1.9
85.02938	4.5
87.00880	1.3
87.04531	2.1
88.98808	7.4
89.02451	2.2
94.39465	0.9
94.61133	0.8
94.76781	0.8
95.01379	2.0
97.02967	0.9
99.00902	0.8
101.02478	4.3
103.64758	0.8
107.01405	4.8
108.01693	1.4
111.00871	2.1
113.02460	1.9
119.03503	1.0
123.00884	15.1
124.01205	1.9
125.02450	21.2
126.02798	4.7
137.02492	1.3
139.00410	6.7
140.01125	3.2
141.01860	1.4
151.00357	12.7
152.00723	3.0
155.10974	0.8
163.00435	1.2
164.01195	1.1
168.00618	5.1
169.01424	29.9
170.01794	6.7
192.22420	0.8
198.50513	0.8
198.90134	0.9
203.03514	1.0
211.02483	4.4
211.56163	1.0
212.02925	1.7
215.03505	1.2
215.12877	2.0
218.01897	0.9
225.14848	1.0
231.02983	1.4
243.02962	3.2
259.02457	4.0
270.01572	1.1
271.02179	6.7
271.04727	3.7
272.04938	2.5
287.01938	9.6
299.01868	1.5
300.02692	1.2
313.05969	2.1
314.06042	0.9
315.01474	14.4
315.05035	1.3
316.02075	5.9
330.03729	17.7
331.04449	16.4
331.08072	1.2
357.57864	0.9
373.26147	1.0
386.10382	0.9
387.13034	2.0
388.13428	3.3
390.25784	1.2
391.26901	20.0
392.27310	10.7
477.10355	45.4
478.10690	2.9
497.14911	1.7
539.21405	22.1
539.31079	6.1
540.21765	100.0
540.30579	6.6
541.22437	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	13.6
59.01360	6.0
61.98822	3.4
64.03761	0.8
64.69578	0.8
69.03452	0.9
69.87442	4.2
71.01374	1.4
78.95905	8.4
81.03452	1.5
83.01381	3.3
83.12078	0.8
83.94346	0.9
85.02976	1.1
93.03443	0.7
95.05042	1.8
96.12611	0.7
96.96034	1.6
97.02991	0.9
105.03474	4.8
109.02978	1.0
113.02437	1.0
118.95234	0.7
120.95058	0.9
121.03036	1.3
124.01624	0.7
125.02441	100.0
126.02769	3.6
137.02434	10.2
149.02435	0.8
152.99597	7.4
161.02438	43.0
162.02972	1.7
166.02724	1.1
167.03545	1.4
169.01450	5.5
171.00673	1.6
175.03958	0.9
177.05551	3.9
181.12329	1.2
197.11801	1.4
198.12236	0.9
201.05608	1.9
211.13388	1.1
227.03293	1.6
243.06622	1.4
269.04501	2.9
287.05603	6.9
293.21115	1.2
299.20267	1.0
305.06656	3.6
311.22336	9.0
539.26007	21.3
540.26257	1.1
562.91113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2135
Annotation	Erizomycin
Peak:m/z	Relative Intensity
55.01886	0.5
57.03439	0.8
59.01384	7.5
61.98819	0.6
67.01921	1.1
69.22670	0.4
71.01384	5.5
71.54837	0.6
72.99312	1.6
73.02940	1.5
75.00873	0.8
79.01888	0.9
83.01393	1.6
83.05032	0.6
85.02951	3.1
87.00848	0.8
89.02448	2.4
93.03434	0.7
95.01394	1.9
96.96015	1.5
97.02963	1.0
99.00896	0.7
101.02455	2.7
107.01384	4.3
107.05006	0.4
110.69157	0.5
111.00906	2.4
113.02453	2.3
119.03513	0.8
119.39889	0.4
120.28803	0.4
123.00899	12.8
124.01719	1.0
125.02452	23.7
126.02818	0.8
127.00368	1.2
134.10536	0.5
136.98804	1.2
137.02426	2.2
139.00377	6.9
140.01218	3.1
141.01920	1.9
149.02463	0.6
150.03246	1.0
151.00380	10.2
151.04042	0.5
151.11296	0.5
152.00793	0.4
153.01955	0.7
163.04085	0.8
163.11296	1.2
163.26184	0.4
165.05612	1.3
167.03523	1.3
168.00658	4.2
169.01425	30.7
170.01817	0.9
171.01933	0.6
173.04549	0.7
179.03574	0.7
179.05508	0.4
180.04453	0.4
181.05009	0.5
189.46123	0.4
195.06633	1.2
202.08916	0.4
211.02483	10.9
211.04366	0.8
219.00241	0.4
223.02571	0.6
225.14980	0.6
241.03685	0.8
271.04623	11.9
272.04782	0.6
273.05029	0.7
313.05621	2.5
331.06720	0.5
387.16611	2.2
391.27158	0.9
402.29523	0.4
407.26630	1.0
421.24524	0.6
477.10184	0.5
487.27292	0.5
514.46326	0.4
521.20654	0.7
539.21484	100.0
540.21783	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	539.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25572	1.9
55.01870	3.8
56.96738	1.6
57.03450	2.7
58.18946	1.8
59.01380	77.2
70.86246	6.3
71.01382	55.0
72.99322	2.8
73.02950	7.1
75.00878	1.9
83.01396	5.9
85.02960	12.1
87.00873	5.1
89.02441	69.6
93.03452	5.3
95.01390	4.5
99.00886	3.5
101.02443	31.2
101.12455	1.9
113.02450	22.8
119.03502	28.3
121.02979	9.3
122.03747	14.3
123.00850	4.9
125.02454	15.3
129.97299	2.0
131.03531	2.9
133.02965	4.7
134.03824	2.3
137.05988	1.8
139.00423	2.3
139.42398	1.9
143.03534	4.8
145.02956	2.9
149.02440	28.6
150.03223	100.0
151.00356	3.9
151.04031	4.2
153.01918	3.8
161.02379	2.7
161.04565	3.8
162.03195	20.1
164.04802	9.8
165.05560	96.5
166.06378	13.3
166.71785	2.5
168.00642	3.8
168.99298	1.8
169.01414	25.4
177.05547	14.1
179.05597	10.5
180.04276	5.5
181.08693	11.2
195.06615	50.0
195.08319	3.5
211.02483	12.4
213.11427	3.1
271.04572	17.6
272.05182	1.9
314.11795	3.2
329.13919	8.2
339.89148	2.2
343.14200	16.1
361.73804	2.0
370.66028	2.8
377.15988	3.5
391.13995	3.8
407.26202	2.4
491.19199	91.1
492.19571	7.6
539.21631	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
56.41330	0.7
57.03439	3.8
57.46638	0.7
58.00578	1.4
59.01383	15.7
61.98832	1.9
67.01893	1.3
69.03464	1.0
71.01386	12.7
72.99314	2.2
73.02946	10.5
73.60893	0.7
75.00890	2.3
79.01913	1.2
81.03425	0.9
83.01391	3.4
85.02948	6.8
87.00883	2.2
87.04510	2.3
89.02453	5.5
95.01406	3.2
96.96016	2.1
97.02998	1.3
99.00914	1.5
101.02451	9.9
103.00400	0.6
107.01371	7.2
109.02967	1.4
110.00053	0.7
110.79832	0.7
111.00907	2.7
113.02445	6.0
116.92868	1.1
119.03505	1.4
119.05001	1.2
121.02976	1.7
123.00891	15.6
123.04555	2.6
123.08192	1.2
124.01695	2.5
125.02450	40.8
135.04602	0.9
135.08093	0.8
136.98825	1.6
137.02481	1.8
137.09682	1.2
139.00383	8.3
139.04002	0.9
139.11307	0.9
140.01169	4.4
140.02112	0.8
141.01912	1.8
141.09305	0.9
143.03496	0.7
145.03023	0.7
147.03014	1.1
148.38826	0.6
149.02492	0.8
150.03181	1.1
151.00377	13.4
151.11375	1.2
153.01984	1.5
155.10783	1.0
161.04558	0.9
163.03961	1.2
163.06137	1.6
165.01932	1.1
166.02858	0.7
167.03500	9.5
168.00630	10.2
169.01425	51.5
169.12305	1.4
170.01698	1.5
177.01985	1.0
178.68477	0.7
181.05122	0.9
182.02261	1.6
183.03006	0.7
185.11778	1.1
187.13423	0.9
191.03532	1.7
197.04497	3.8
209.04549	1.8
211.02483	29.4
212.02832	1.0
225.07884	0.7
239.05586	2.0
241.03651	0.8
248.21201	0.7
271.04575	48.9
272.05066	2.0
313.05618	6.6
317.23282	0.9
331.06683	12.6
332.07117	0.8
377.29099	6.2
387.12933	6.0
389.11234	0.9
389.25409	1.2
390.25800	1.8
391.26956	48.7
392.27310	2.2
439.08786	2.2
479.24985	1.0
481.09961	7.0
521.12842	1.1
539.14185	8.7
539.21521	100.0
539.34827	19.1
540.14490	1.3
540.21875	9.7
540.34680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2134
Annotation	Erizomycin
Peak:m/z	Relative Intensity
55.01893	0.7
57.03449	0.8
57.92068	0.6
59.01380	7.1
60.28646	0.6
61.98812	1.0
62.37946	0.6
64.41123	0.6
65.00327	0.7
67.01891	1.3
68.99805	1.0
69.19645	2.7
69.20062	4.2
71.01371	4.8
72.99300	1.0
73.02945	1.6
79.01875	1.9
83.01378	2.7
83.96973	0.7
85.02937	2.7
89.02455	1.4
95.01384	3.1
96.62756	0.7
98.19842	1.4
99.00848	1.1
101.02435	2.9
107.01389	8.5
110.00076	1.5
111.00893	8.0
113.02446	2.3
119.03476	0.9
119.04986	0.6
123.00890	14.6
124.01685	4.2
125.02443	30.7
127.00370	2.6
136.98804	4.5
137.02469	0.9
137.06099	0.8
139.00381	11.1
139.02263	0.7
140.01157	12.5
141.01895	1.3
151.00360	9.2
153.01962	1.1
154.99931	1.1
165.01933	0.8
166.99678	0.7
167.03506	2.0
168.00647	16.4
169.01433	40.7
170.01686	0.7
211.02463	11.4
271.04581	23.5
272.04907	1.0
273.07715	1.6
313.05615	2.1
331.06635	5.3
359.14975	3.6
387.12979	15.7
388.13300	1.5
390.26050	0.8
503.84293	0.7
507.19897	0.9
509.20331	1.1
539.13861	32.4
539.21259	100.0
540.14246	2.9
540.21594	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	539.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88677	0.3
51.71880	0.3
59.01376	3.0
69.18816	1.4
69.19239	1.8
71.01385	2.5
72.99314	0.6
73.02934	0.9
75.07153	0.3
85.02940	0.7
89.02439	1.0
95.01384	0.7
98.19863	0.7
100.70844	0.3
101.02451	0.7
107.01407	2.7
111.00882	1.7
113.02454	0.4
119.03460	0.4
120.35402	0.3
121.03008	0.4
123.00892	2.9
124.01650	2.3
125.02446	18.2
126.02751	0.6
127.00368	0.9
136.98817	1.1
137.02411	0.8
139.00380	2.3
139.03996	0.4
140.01187	2.3
141.01863	0.4
149.02464	0.3
151.00363	2.2
165.01903	0.5
167.03484	1.2
167.99199	0.5
168.00636	10.8
169.01418	28.0
170.01727	0.7
181.01440	0.4
211.02473	56.2
212.02866	2.0
241.03488	1.0
271.04578	100.0
272.04913	4.6
303.40024	0.4
331.06686	25.8
332.07047	1.5
349.24918	0.3
377.28906	0.5
387.12976	1.0
389.90189	0.4
391.26846	2.2
425.66791	0.4
539.13367	0.7
539.21393	11.3
539.33850	0.6
540.21796	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	43.5
69.36247	1.1
69.37846	2.7
69.38270	6.5
69.99107	1.0
71.01380	9.6
72.57938	1.0
72.99311	1.4
83.01390	1.3
85.02955	3.8
87.00852	1.2
89.02446	11.2
90.28292	1.0
95.01364	1.4
97.02934	1.6
98.20729	1.2
101.02460	9.2
107.01382	2.8
113.02435	4.5
119.03482	3.0
123.00943	6.0
125.02441	23.0
139.00362	2.2
140.01169	1.2
150.03123	1.9
151.00377	2.6
153.01944	1.4
153.34261	1.0
163.11282	31.8
167.03432	1.6
168.00671	3.7
169.01430	28.2
211.02464	9.2
215.81938	1.0
271.04559	10.7
343.11530	1.2
347.03937	1.0
387.16574	52.4
388.16827	4.4
391.15482	2.0
479.15472	3.7
521.16113	3.0
539.17621	100.0
540.17694	9.6
555.56030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.4
57.53168	0.5
59.01377	16.4
59.06303	0.5
61.98832	6.2
67.01898	0.7
69.03457	2.6
69.22575	4.4
71.01383	6.3
72.99305	0.8
73.02940	1.5
75.00877	1.5
78.95906	1.7
79.01888	0.6
81.03455	2.6
83.01389	3.3
83.05030	0.8
85.02936	2.8
85.27001	0.6
88.98804	3.9
89.02445	1.9
95.01390	1.8
95.05032	2.2
96.96008	2.2
97.02950	4.7
99.00856	1.0
99.04520	0.9
101.02429	4.1
107.01392	2.9
107.05067	0.6
109.02953	12.8
111.00897	1.1
113.02448	3.2
113.03197	0.7
114.20491	0.6
119.03512	1.2
121.02939	2.4
123.00883	3.5
123.04533	7.9
124.01642	1.5
125.02441	75.4
126.02804	2.3
133.02969	0.8
135.04517	1.9
135.08199	1.6
136.98759	0.7
137.02446	8.1
137.06088	1.0
139.00401	1.7
139.04019	2.4
140.01161	0.8
141.01886	0.5
145.02977	4.3
146.03758	1.0
147.04504	0.6
147.08006	0.6
149.02477	3.5
150.03209	1.2
151.00377	1.4
151.03995	5.5
151.07608	0.6
159.04538	2.6
160.05238	1.1
161.02415	2.4
161.04680	1.2
161.06085	4.5
162.03241	1.2
163.04004	1.3
164.01161	2.1
165.01950	3.5
165.05580	1.2
166.99881	2.1
167.03502	2.4
168.00635	1.8
169.01416	100.0
170.01776	2.8
171.34993	0.6
175.03973	2.0
175.07637	1.5
177.01942	0.9
177.05630	0.8
179.03436	4.4
179.05783	0.8
179.07123	3.7
185.06085	1.5
187.04047	3.3
188.04784	2.4
191.07162	2.4
193.01393	4.2
199.04050	0.6
202.06422	1.0
203.03482	0.7
203.07120	7.7
205.01384	0.8
205.05046	5.6
211.02420	1.2
211.13353	4.7
219.06531	0.7
220.07181	0.6
221.08171	1.8
223.09726	1.2
225.05574	2.3
227.07149	1.6
231.02870	0.7
235.09761	2.4
236.09895	0.5
245.08162	10.1
247.06189	1.3
249.06210	0.7
259.06201	1.7
269.70108	0.6
270.05078	0.5
271.06232	4.1
272.04965	0.8
275.05606	0.9
287.05612	0.7
289.07159	36.1
290.07571	2.5
295.23505	0.5
299.12872	1.5
303.05063	1.8
305.06525	1.3
307.10196	1.0
313.70023	0.5
314.72827	0.6
325.10760	1.8
329.14053	1.2
331.04425	0.7
343.11899	5.1
369.13385	4.7
387.14481	41.4
388.14691	2.9
429.11877	0.8
441.08209	4.4
457.07785	0.8
475.85233	0.6
479.32224	1.3
495.13452	0.7
507.20154	1.0
538.19635	1.2
539.21143	10.5
539.28705	7.0
540.28668	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.03439	0.6
59.01376	2.8
61.04100	0.3
64.48711	0.3
65.00321	0.4
67.01885	1.5
68.99815	0.5
69.03462	0.6
71.01379	3.3
71.53761	0.3
71.54211	0.7
72.99300	0.9
73.02949	0.7
79.01884	1.4
79.38934	0.3
81.03458	1.0
83.01386	1.5
85.02517	0.3
85.02944	1.9
87.00906	0.5
89.02439	0.4
92.29992	0.3
95.01392	2.9
97.02960	1.4
97.18145	0.3
99.00861	0.4
101.02455	2.9
107.01387	13.8
108.01704	0.5
110.00082	0.6
111.00880	4.2
112.94268	0.3
113.02465	1.3
123.00885	16.5
124.01705	3.6
125.02443	44.5
126.02778	1.0
127.00394	2.1
136.98799	2.4
137.02376	0.6
139.00380	7.0
140.01152	5.4
141.01958	1.9
143.03580	0.4
151.00365	13.8
151.04018	0.3
153.01927	0.7
154.99812	0.7
161.02464	0.4
163.03970	0.7
166.99812	0.6
167.03476	0.6
168.00627	9.5
168.01997	0.6
169.01419	50.7
170.01762	1.6
179.03542	0.8
181.05006	0.8
206.65903	0.4
211.02493	4.5
212.02893	0.5
223.02412	0.5
253.03548	0.8
271.04593	6.6
272.04761	0.3
313.05594	3.0
331.06885	1.7
359.15051	0.9
369.11868	1.4
387.12949	50.3
388.13260	2.9
538.20166	0.5
539.14020	100.0
539.21393	35.9
540.14349	8.5
540.21826	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	539.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52555	0.5
55.01866	1.0
57.03432	0.6
59.01383	3.7
61.98807	0.8
67.01886	1.7
69.03452	1.2
71.01375	2.7
72.99276	0.6
73.02943	1.2
79.01897	1.2
81.03429	0.6
82.74787	0.4
83.01385	1.6
85.02942	2.4
87.00872	0.6
89.02438	1.2
95.01392	2.2
97.02958	0.9
99.00883	0.5
101.02449	3.4
107.01398	13.3
111.00883	3.8
113.02439	1.7
113.77371	0.4
123.00888	17.0
124.01665	3.4
125.02449	43.9
126.02758	0.9
127.00368	1.3
136.98840	2.5
137.02440	0.6
139.00386	9.6
140.01170	6.8
141.01906	1.5
151.00366	16.3
151.03978	1.0
152.00702	0.5
153.01894	0.8
154.99869	0.5
163.04053	0.8
165.05554	0.4
166.99759	0.5
168.00639	10.6
169.01424	53.5
170.01793	1.7
179.03326	0.5
181.01247	0.6
181.05035	1.0
182.46498	0.4
193.04956	0.6
193.42213	0.4
211.02475	6.5
253.03571	0.7
260.76035	0.4
271.04572	9.2
272.04837	0.4
313.05664	2.9
331.06665	2.0
359.14978	0.9
369.11899	1.5
387.12958	50.2
388.13315	3.4
418.89816	0.5
531.74133	0.5
538.19989	1.4
539.13947	100.0
539.21332	39.6
540.14325	9.8
540.21698	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	537.3281
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01870	0.7
56.98607	0.3
57.03438	1.3
58.00590	0.6
59.01378	16.8
61.98828	20.2
71.01386	7.6
71.05019	0.4
72.99300	0.9
73.02946	2.4
77.14472	0.4
83.01386	1.5
85.02947	3.4
87.00873	1.1
89.02441	5.3
93.03454	0.4
95.01388	1.2
96.95998	0.7
97.06589	0.3
98.19855	0.8
99.00859	0.7
101.02447	5.2
107.01410	0.7
111.00828	0.5
113.02441	2.6
119.03497	0.9
123.00877	1.3
125.02438	3.0
137.02405	0.6
139.00323	0.4
141.01912	0.3
151.00357	1.0
157.12358	0.8
168.00598	0.5
169.01411	3.6
169.12332	0.7
185.11858	0.6
211.02423	1.1
215.12846	0.6
269.04837	0.3
271.04614	1.0
311.22241	0.4
327.25516	0.9
329.23346	4.2
339.25400	0.5
357.26416	4.8
373.26035	0.9
375.27502	16.1
376.28003	1.2
389.25354	1.9
501.19696	0.8
513.11749	0.3
519.31781	1.6
537.32794	100.0
538.24609	0.7
538.33087	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	537.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.8
59.01379	100.0
61.98832	15.9
69.03445	4.2
70.68672	5.4
71.01379	69.0
71.01775	3.7
72.99290	2.3
73.02940	6.8
75.00851	3.0
78.95895	3.6
83.01395	4.0
85.02951	12.3
87.00871	3.9
88.98796	3.4
89.02452	18.6
93.03446	3.9
95.01368	3.4
96.96005	7.1
99.00867	2.9
101.02443	21.2
101.12499	1.9
105.03448	2.2
113.02436	19.1
119.03489	10.1
121.02946	4.3
123.00909	4.5
125.02455	25.5
131.03493	2.2
131.32729	1.9
135.04518	2.9
137.02446	17.1
139.00346	2.0
143.03410	2.1
149.02492	2.0
151.00410	2.6
152.99588	2.4
161.02451	10.0
161.04541	8.1
167.03426	2.4
168.00603	1.8
168.03006	4.8
169.01401	10.9
177.01859	2.5
179.03568	2.3
192.59369	1.7
195.06677	2.9
211.13437	1.8
219.06638	1.8
269.04736	2.1
269.19098	3.0
279.17557	4.3
283.11044	2.6
287.05722	2.3
297.18573	37.3
298.19009	2.9
315.19699	4.7
321.18488	2.1
441.22800	3.8
445.21780	2.3
447.09384	3.2
490.02078	2.1
537.27039	20.4
537.76257	3.8
538.27124	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	3.7
61.98817	5.2
69.03474	1.3
71.01362	1.1
77.24599	0.8
78.95905	40.4
83.05013	0.9
88.57168	0.8
96.95989	3.6
96.96935	2.8
98.20756	1.5
101.02470	1.0
111.08174	11.2
123.00889	0.9
124.01637	1.1
125.02446	18.5
126.02746	0.9
127.07649	1.1
135.04506	0.9
152.99588	48.3
153.12778	1.4
159.08476	0.8
161.02423	1.3
167.03484	1.1
169.01425	27.0
169.12306	4.1
171.00597	3.7
175.03963	1.3
181.12270	1.8
193.01422	2.5
197.11821	51.8
198.12149	2.0
199.13409	3.0
205.08688	1.3
209.11870	0.9
211.13408	4.4
227.03270	5.2
245.04160	2.6
245.08313	1.1
263.20099	1.8
273.18442	1.4
291.19681	7.2
309.20706	26.3
310.21024	1.2
385.13174	4.1
445.20114	2.6
537.24628	100.0
538.25043	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	537.247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	2.8
59.01358	8.9
59.87496	1.8
61.98819	3.2
63.40113	2.0
69.03441	3.3
71.55813	3.5
78.95901	55.8
88.46400	1.7
96.95968	2.7
96.96973	4.0
107.18838	2.0
111.08154	6.1
111.99144	2.0
112.45951	1.9
152.99580	83.7
167.10773	3.9
169.01437	3.4
171.00609	8.7
177.12874	2.5
179.10706	2.2
179.14377	6.6
180.61211	1.9
181.93092	2.1
195.13933	19.8
196.14243	2.1
205.12332	14.7
205.34970	2.2
223.13379	64.3
224.13789	2.4
227.03152	13.5
245.04297	5.6
291.19662	100.0
292.19977	7.5
451.17358	62.5
519.23712	12.8
537.24805	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.6
59.01380	48.2
67.01893	1.3
69.03448	1.2
70.84886	1.7
71.01382	13.7
72.99323	2.9
73.02959	2.5
74.59276	1.0
75.00868	9.7
85.02958	12.2
87.00893	3.9
89.02437	4.9
95.01405	3.6
96.96008	1.6
99.00883	4.9
99.04560	1.1
103.00380	1.0
107.01387	4.2
111.00919	2.5
113.02443	14.1
115.00435	1.1
117.01913	1.6
121.06538	0.9
123.00891	6.3
124.01640	1.8
125.02441	20.8
127.00388	1.2
136.98822	1.8
137.09698	2.8
139.00325	4.4
140.01140	2.5
151.00404	3.7
163.11272	1.0
168.00635	10.6
169.01419	28.9
169.02815	1.4
175.02470	1.8
183.03119	0.9
207.13959	2.0
209.11864	2.9
211.02478	40.2
212.02850	1.5
225.15031	1.0
227.12878	6.3
228.13213	0.8
228.60506	1.0
249.06149	11.9
259.02438	0.9
261.58646	0.8
267.07169	8.4
269.13831	1.9
271.04575	77.5
272.04971	3.3
287.15005	3.8
309.08319	5.3
313.05966	1.1
331.06696	17.2
331.10410	1.3
332.07172	1.0
343.17447	1.1
361.18765	2.3
389.25403	1.4
519.20819	7.3
537.21576	100.0
538.21851	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	537.2472
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
54.18784	0.9
57.03452	1.3
59.01375	5.2
61.94773	1.0
61.98831	5.2
69.03452	2.8
69.94288	1.0
70.65472	1.6
70.65845	1.9
71.01392	1.0
78.95905	36.3
79.95744	1.3
85.02935	1.1
95.01379	1.1
96.96027	4.7
96.96949	2.6
97.02963	1.2
98.60202	1.0
102.59760	0.9
106.07731	1.2
109.02919	1.4
111.08177	9.7
123.00895	2.4
124.01619	1.5
125.01525	1.5
125.02444	27.9
125.61398	1.0
137.02417	1.2
139.03979	1.0
149.02437	1.0
151.11276	1.0
152.99579	47.4
161.02481	1.7
161.84935	0.9
167.03455	3.2
169.01422	43.2
169.12349	4.9
170.01701	1.2
171.00650	3.2
171.10239	1.0
175.04077	1.4
179.03452	0.9
181.12343	1.7
181.33234	0.9
190.93549	1.1
193.01434	4.9
197.11824	47.3
198.12109	2.2
199.13385	2.7
205.08720	3.4
211.13329	5.9
227.03273	3.6
227.12961	1.0
245.04253	2.0
245.07997	1.2
263.20117	2.7
265.31586	0.9
291.19672	7.9
309.20721	25.6
310.21048	1.9
310.81061	1.1
316.19162	1.0
339.25287	1.7
385.12915	8.8
445.19986	2.2
447.09512	1.0
463.21387	1.2
492.15347	1.1
537.24634	100.0
538.10773	1.2
538.24921	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	537.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.5
59.01379	48.4
67.01891	1.0
68.99837	1.4
69.03455	1.6
69.19805	7.1
71.01385	12.5
72.99319	3.0
73.02938	2.1
75.00876	8.4
79.01892	0.7
85.02950	11.6
87.00886	4.5
89.02452	4.2
95.01402	3.0
96.95995	1.0
97.02982	0.8
99.00870	7.4
99.04530	1.3
101.02444	1.6
103.00399	1.2
107.01379	3.0
111.00883	2.2
113.02448	14.1
115.00383	0.9
117.01943	1.8
123.00878	4.7
125.02432	14.8
125.03291	1.0
126.24043	0.7
127.00313	0.8
129.01924	1.5
136.98842	1.2
137.09735	1.6
139.00391	2.5
140.01158	2.2
151.00400	3.0
168.00612	6.4
169.01419	20.5
175.02509	2.1
176.08578	0.7
207.13985	1.9
209.11938	3.3
211.02470	25.3
212.64493	0.8
225.15022	1.6
227.12883	8.0
228.13208	1.0
231.05128	1.4
241.03471	1.1
249.06151	12.7
267.07217	6.5
269.14050	1.0
271.04575	45.8
272.04910	1.8
287.15060	4.9
309.08127	4.2
313.05872	0.9
315.01523	0.7
331.06738	10.0
331.10440	1.3
361.18762	2.0
389.25705	2.1
405.25037	1.3
477.19849	1.0
519.20874	6.2
537.21637	100.0
538.21875	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	28.0
61.98828	24.7
69.03459	2.7
71.01394	13.6
72.35191	2.3
72.99270	2.6
73.02942	3.6
75.00884	11.0
75.52332	2.3
78.91875	2.5
78.95911	3.2
79.95731	2.4
83.01392	3.3
85.02949	7.6
88.62131	2.7
88.98788	3.7
89.02435	5.9
91.01914	4.5
93.03433	4.7
95.01408	3.3
96.96011	11.1
99.00862	2.8
101.02419	4.9
107.01419	2.4
108.02160	10.9
109.02933	8.1
113.02470	7.6
119.05025	3.4
121.02962	12.0
123.00885	8.0
123.04523	5.5
124.01656	3.1
125.02442	36.2
135.04533	18.3
137.02466	6.1
145.02985	5.9
147.04538	3.5
149.02425	3.2
149.06117	3.1
150.03258	3.0
151.00436	5.2
151.04012	4.3
152.01178	7.4
159.04483	3.4
161.02388	4.8
164.04828	2.7
165.01898	5.2
167.03506	5.9
168.00626	3.3
169.01419	42.7
177.02011	3.9
180.07919	32.1
195.10194	6.0
208.07420	7.4
211.02347	3.5
223.09746	85.0
223.11858	5.1
224.10252	2.6
237.05623	3.6
243.06606	30.4
244.07056	2.7
248.04881	2.8
251.03345	5.3
265.05032	4.0
267.06592	3.6
269.08133	2.9
277.04935	5.1
280.07404	3.3
282.08984	3.2
283.09833	3.1
289.05112	2.9
294.09094	3.2
296.10840	2.8
297.11194	3.3
309.11166	4.8
310.08459	4.0
313.05899	4.1
313.10794	4.5
314.32016	3.4
320.10638	4.0
321.11606	3.4
324.09720	5.4
325.10822	16.7
339.12289	5.0
340.12912	2.5
368.12830	3.0
371.15018	3.9
383.15186	15.1
400.58136	3.0
416.13019	3.2
429.13443	4.9
431.14868	4.2
443.15063	3.8
444.11432	5.7
447.14386	7.4
459.14508	37.9
460.14600	3.4
462.16675	15.2
471.14612	10.7
474.16699	17.3
477.19083	60.2
478.19611	6.7
486.17078	6.0
489.19147	100.0
490.19495	9.3
491.20453	3.0
493.20306	2.7
501.19083	28.8
507.19974	22.8
519.20233	58.9
520.20319	7.6
537.23230	28.5
537.31958	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	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
59.01102	1.0
59.01377	12.6
61.98830	0.6
69.03429	1.0
69.48819	1.9
69.49251	2.1
71.01377	5.7
72.99285	1.5
73.02937	7.6
75.00855	1.2
79.01891	1.2
83.01374	1.0
85.02950	2.9
87.00898	1.0
88.98776	1.4
89.02438	2.8
95.01382	1.2
95.04979	0.7
99.00859	1.1
101.02436	3.9
107.01392	6.1
109.02941	0.6
109.06623	0.6
111.00892	1.5
113.02466	3.5
119.05033	0.7
121.02843	0.7
123.00876	5.9
124.01658	2.3
125.02443	31.6
126.02759	1.2
127.00362	1.0
136.98811	1.4
137.02394	1.1
137.55161	0.7
139.00383	3.6
139.03993	0.9
140.01129	4.1
141.01949	1.2
151.00354	5.5
161.09731	0.8
165.01955	1.4
167.03502	1.7
168.00644	12.5
169.01414	45.2
170.01738	0.8
173.04524	1.1
177.04059	0.7
179.10736	0.8
201.11290	1.3
211.02467	50.9
212.02785	1.6
225.07672	0.7
227.12898	1.2
241.03444	1.2
268.09015	0.7
271.04572	100.0
272.04947	4.9
285.03976	1.3
287.14960	1.9
313.05710	5.2
325.06125	0.8
331.02634	1.4
331.06686	29.3
332.07199	1.4
375.27719	0.7
389.25412	12.7
405.12662	0.7
405.17599	1.7
447.09491	1.5
493.17175	6.8
494.17899	0.6
505.91852	0.6
525.25122	0.7
537.19946	39.5
537.29346	5.9
538.20270	5.1
538.28339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.198
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
55.01870	0.8
57.03447	1.4
58.00603	0.8
59.01379	19.0
61.98839	4.3
64.14649	0.9
66.57810	0.7
67.01896	1.1
69.28291	7.1
71.01384	14.7
72.99316	4.2
73.02934	3.8
75.00862	4.0
77.27803	0.8
79.01889	1.7
83.01387	2.4
85.02949	8.1
87.00877	2.7
88.98801	2.9
89.02442	5.9
95.01374	3.1
96.96021	1.7
97.02904	0.8
99.00887	2.9
101.02459	8.3
102.04032	0.8
103.98544	0.9
107.01402	4.5
109.02996	1.2
111.00891	3.3
113.02463	6.0
119.03489	1.9
121.02982	7.0
121.74319	0.8
123.00903	14.9
123.04541	1.5
124.01694	1.6
125.02447	25.7
127.00430	1.4
135.04636	0.9
136.71371	0.8
136.98773	1.1
137.02443	2.0
139.00368	5.8
139.03979	1.7
140.01099	4.5
141.01878	1.0
145.02847	0.9
151.00366	11.8
152.00969	1.1
153.01854	1.4
161.02457	0.9
163.03951	0.9
166.06320	1.6
167.03494	4.0
167.07175	0.9
168.00667	5.9
169.01421	36.7
177.01897	6.2
179.03540	1.0
181.08733	1.8
199.02129	0.9
199.07646	1.9
205.12332	1.1
209.04433	1.4
209.41356	0.8
211.02495	11.4
227.49675	0.9
249.05890	0.8
269.06924	1.0
271.04541	16.5
294.05484	1.0
295.06091	3.9
297.06369	1.3
301.03488	1.0
310.08450	2.1
313.05701	3.9
325.10730	6.1
329.23264	1.8
331.06766	2.1
357.13226	1.7
357.26505	2.1
375.27490	6.4
387.54428	0.8
389.25272	3.4
415.12494	1.9
442.25449	0.8
447.09741	1.0
459.14313	1.1
475.73215	0.9
477.30194	1.1
489.19250	2.3
536.31250	1.0
537.19763	100.0
537.32300	31.7
538.20160	12.3
538.33234	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
57.03439	2.3
58.00613	0.7
59.01378	22.7
60.01711	0.6
60.84778	0.5
60.99307	5.6
61.98823	1.8
65.00342	0.7
65.48574	0.5
67.01882	1.5
67.16031	0.4
69.03461	0.9
69.28546	1.4
69.28971	3.1
71.01382	15.0
71.05012	0.5
72.99318	1.7
73.02953	5.1
75.00893	1.0
79.01893	1.1
81.03440	0.6
83.01381	2.4
83.05042	0.7
85.02943	6.0
85.06603	0.6
87.00877	1.8
87.04528	2.2
88.98807	28.3
89.02445	9.9
93.03497	0.8
95.01392	3.1
95.05068	0.6
96.96024	1.0
96.99351	0.5
97.02973	1.3
97.06575	1.0
99.00892	1.4
101.02448	9.6
103.07658	0.5
107.01395	10.2
109.02973	0.6
110.00091	1.0
111.00875	4.4
111.08165	0.7
113.02440	5.8
119.03506	3.8
121.02874	0.5
121.06625	1.0
121.10234	0.6
123.00887	15.8
123.01746	0.9
123.08149	0.9
124.01686	2.7
125.02448	27.8
125.09718	1.6
126.99469	0.5
127.00367	1.9
129.01903	0.5
131.03511	0.4
135.04501	0.5
136.98801	2.6
137.02470	1.9
137.09708	4.9
139.00377	7.5
139.03973	0.5
139.11340	1.0
140.01161	7.1
141.01982	1.5
142.92174	0.5
143.10788	0.5
147.03041	0.9
149.02371	0.5
149.04626	0.6
149.09732	0.7
151.00369	12.5
151.04010	0.7
153.09221	0.9
155.10791	1.3
157.12381	0.9
159.03111	0.5
161.04652	0.9
163.00433	0.5
163.11266	0.8
165.01906	0.6
166.99797	0.6
167.02286	0.6
167.03560	2.2
167.10756	0.6
168.00644	19.3
169.01428	34.1
169.12454	0.8
170.01752	1.1
171.10262	3.8
176.79063	0.5
178.99886	1.2
179.05693	0.9
179.07144	0.6
183.03096	0.5
185.11862	2.7
187.13324	0.9
193.01476	0.7
201.11305	2.6
205.12390	1.5
211.02426	6.0
215.12987	2.0
217.14539	1.3
241.03598	0.8
243.16063	1.6
255.02922	2.3
267.07382	0.5
271.02432	4.2
271.04898	7.6
297.21085	0.8
300.02759	12.2
301.03510	7.5
301.20261	1.7
313.05728	1.7
329.23550	0.9
331.06766	5.6
341.23315	1.0
349.18988	1.0
357.13428	29.9
358.13803	1.9
359.24011	1.1
371.24365	3.6
375.27567	2.9
387.24072	1.3
388.24265	1.1
389.25430	63.8
390.25739	2.4
399.09436	1.2
405.24884	0.8
447.09302	18.9
448.09824	1.4
499.18372	1.5
519.18451	1.5
519.32819	0.7
536.32288	2.3
537.20013	100.0
537.29614	19.5
538.20416	8.0
538.28876	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	535.3123
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
55.01873	0.8
57.03448	1.5
59.01378	32.8
61.98834	1.7
69.98335	0.5
71.01380	10.0
71.24249	1.4
72.99321	1.1
73.02949	3.9
75.00894	0.6
83.01370	2.8
85.02950	5.6
87.00878	0.8
89.02450	3.6
90.42382	0.6
95.01405	0.6
96.96013	2.0
99.00869	1.7
101.02445	9.8
101.55785	0.6
111.00819	0.6
113.02443	3.8
114.48801	0.6
116.30665	0.6
119.03495	0.7
121.02961	0.9
123.08169	0.9
125.02445	2.3
137.02451	1.1
145.02942	1.7
161.04558	1.3
169.01385	2.3
171.10223	0.8
184.75336	0.6
185.11856	1.1
199.81107	0.6
277.21680	1.3
295.22614	0.7
313.23831	0.9
327.21735	2.2
343.24771	0.7
355.24945	2.5
362.19601	0.7
373.25919	6.5
387.23767	2.4
439.27133	1.2
443.27008	0.7
450.01883	0.6
457.28104	2.8
475.29263	2.4
492.15738	0.7
497.22131	0.8
517.30237	1.2
535.31226	100.0
536.31531	10.4
563.81824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48224	4.0
57.21349	4.7
59.01373	11.6
61.98829	41.2
71.05008	7.1
71.55290	4.3
75.36884	4.0
78.95908	25.5
83.01392	5.5
85.06564	10.4
96.96006	8.6
104.02464	3.5
106.81610	4.1
125.02430	13.8
125.37022	5.0
151.00340	4.6
152.99600	42.2
161.02403	4.7
163.11226	4.4
167.03523	5.3
169.01430	11.5
205.15990	4.9
209.11824	10.7
211.16983	9.7
223.16850	4.8
245.19060	5.7
289.18228	10.6
293.24927	20.0
296.68994	4.1
307.18991	11.2
317.02884	6.3
337.23816	100.0
338.24127	7.9
354.05844	4.6
415.16568	5.7
473.94717	4.5
535.23297	54.2
536.23340	4.7
555.59357	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	535.268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	22.0
69.42621	100.0
74.02850	10.3
76.28335	11.0
78.48117	11.4
78.95908	14.6
83.49024	11.7
85.60622	12.5
96.96014	17.8
125.02462	14.0
133.77167	12.5
152.99588	21.2
197.45236	12.9
205.16887	13.2
326.34650	12.3
385.49124	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03133	2.0
57.03454	2.8
59.01382	100.0
61.98835	17.7
64.05228	1.8
65.00333	2.8
67.01882	2.5
69.03458	6.2
69.30970	15.2
71.01382	41.9
72.99316	6.4
73.02943	16.3
75.00867	6.7
83.01402	7.7
85.02949	21.9
89.02440	25.6
93.03459	19.1
95.01405	6.7
96.96034	6.1
97.02953	4.9
97.06597	2.0
98.19873	3.5
99.00898	4.1
99.04547	1.9
101.02444	41.5
103.04003	22.0
107.01377	9.6
107.11758	1.9
109.02976	4.4
111.00874	2.8
113.02454	12.2
119.03527	13.9
119.04984	3.0
121.02985	2.6
123.00896	14.0
124.01659	2.2
125.02443	63.3
126.02822	1.9
126.95380	1.8
127.03998	2.5
131.03601	3.0
135.04585	2.0
137.01448	3.9
137.02446	50.7
139.00375	4.7
140.01122	4.8
143.03526	4.5
145.02936	11.6
145.05103	2.7
151.00371	22.6
152.00836	2.3
161.02518	2.6
163.00412	2.6
163.04036	3.0
163.06122	27.1
164.04749	3.0
167.03514	4.2
167.10774	98.1
168.00638	5.6
168.11118	3.2
169.01439	52.6
170.01793	2.8
171.10207	2.5
177.01959	2.5
178.99893	8.4
179.07080	3.9
185.00916	4.3
205.07175	3.4
207.03027	4.2
219.11902	1.9
227.03600	2.2
228.40637	2.1
246.98184	2.5
247.08308	4.9
271.02356	3.5
283.10706	3.3
297.06320	2.9
307.10336	16.8
313.23782	5.5
316.02280	2.7
317.03012	52.9
318.03372	8.7
355.24542	2.5
357.26569	3.1
359.27975	2.9
361.28604	3.0
373.26065	13.7
383.04935	12.8
383.55304	8.1
384.05884	2.2
397.11523	4.4
449.07211	7.3
459.05954	8.4
459.55841	4.1
475.28848	2.6
494.75195	2.5
495.25726	2.2
503.13086	2.8
535.17719	4.8
535.22821	12.9
535.31244	85.1
536.31659	5.2
555.56177	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	535.2315
Annotation	Cowagarcinone E
Peak:m/z	Relative Intensity
53.32005	2.5
59.01374	4.4
61.98819	5.8
65.47800	2.7
71.55733	2.5
78.95904	55.7
83.01408	4.8
86.23562	2.3
96.96970	7.0
97.06587	3.1
105.64900	2.5
114.39698	2.9
123.04520	4.1
125.02389	5.4
125.09724	7.2
151.11247	3.1
152.99585	78.2
163.11282	6.1
165.12852	3.6
171.00636	4.3
179.10732	2.8
181.12413	4.1
185.11713	3.8
191.14380	6.1
207.10179	5.1
209.11815	25.3
227.03241	5.9
245.04253	4.0
245.19003	9.4
251.20151	2.6
289.18152	22.9
307.19183	19.6
402.89203	2.4
449.22507	3.3
535.23102	100.0
536.23743	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	535.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.0
59.01381	48.3
61.98806	2.7
71.01378	17.7
71.56135	2.5
72.99308	5.4
73.02953	20.1
75.00874	11.7
83.05032	3.9
85.02950	13.3
87.00880	4.3
89.02453	10.4
93.03448	2.2
95.01373	2.9
96.96020	14.3
97.06569	3.3
99.00866	7.1
99.04550	1.9
101.02434	7.7
107.01402	2.2
111.00899	1.8
113.02458	13.6
122.06099	6.0
123.00906	2.5
124.01649	2.3
124.07659	4.6
125.02425	9.8
132.04558	24.2
133.05310	4.8
139.00391	2.1
147.03120	3.2
149.04558	1.9
150.05586	2.3
160.04076	4.2
161.04630	3.0
163.04019	2.0
163.11282	2.8
165.04274	11.2
168.00551	2.8
169.01416	12.3
171.10309	2.7
176.03433	2.6
176.07135	2.7
179.10762	2.6
185.11874	4.7
187.09785	2.3
190.05116	3.1
195.60631	1.8
209.03304	3.1
211.02455	7.5
212.05687	2.3
212.10750	2.4
213.06633	2.7
215.11838	4.7
224.09505	5.3
225.14870	1.9
226.07487	4.3
227.08183	5.7
229.09743	5.1
239.11958	12.4
240.10445	3.1
241.09805	11.7
247.99219	1.8
248.26082	1.8
249.06136	7.9
253.06139	6.4
254.06830	1.9
255.11378	4.9
257.12952	14.9
267.07440	10.6
268.08377	5.0
269.14005	2.8
271.02158	1.8
271.04639	12.9
281.09296	5.0
283.10904	65.0
283.14087	3.6
284.11163	4.2
285.16864	1.8
291.38220	1.8
301.11923	11.9
309.05228	2.8
309.08734	19.9
310.08865	3.0
310.84525	2.2
316.02124	5.1
327.09827	23.2
328.10275	2.4
331.04413	2.6
345.10880	43.7
346.11145	3.9
359.12335	3.0
362.09894	2.0
369.22830	3.1
371.08826	25.5
371.16040	2.2
387.23898	41.5
388.24167	1.8
403.11447	9.5
403.23407	2.9
441.70767	2.0
459.13934	7.6
475.17654	2.0
503.13055	100.0
504.13263	9.5
535.20465	31.0
535.27625	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	535.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
57.03443	1.0
57.46047	0.2
58.00595	0.5
59.01379	15.5
60.01719	0.4
60.56315	0.3
61.98829	100.0
68.02518	1.1
69.03455	0.4
69.42931	1.2
69.43349	0.6
71.01382	8.2
72.99313	0.9
73.02948	4.9
75.00876	1.0
81.03472	0.3
83.01389	1.2
85.02951	3.5
86.46066	0.2
87.00877	1.1
87.04515	0.3
89.02446	3.8
95.01392	0.8
96.96031	1.1
97.02937	0.3
99.00898	1.2
101.02442	4.9
103.04022	0.6
111.00880	1.0
111.08162	0.3
113.02447	2.8
114.88552	0.2
117.01940	0.4
117.03461	0.6
118.03839	0.3
119.03469	1.3
119.05052	0.4
121.02926	0.4
123.00874	0.4
123.04575	0.3
123.08147	0.3
125.02441	2.9
125.09742	0.5
128.99289	0.7
129.01956	0.4
131.03548	0.4
133.03003	0.3
136.04149	0.2
137.02441	0.6
137.09737	0.3
140.01210	0.4
143.03520	0.5
145.02950	1.5
146.03323	0.4
151.00439	0.4
152.01144	0.2
155.10847	0.5
157.12366	0.3
159.03035	0.4
161.01016	0.4
161.02434	0.3
161.04546	0.6
163.04048	0.5
163.06131	0.8
167.03508	0.6
167.10759	5.8
167.12086	0.4
168.00568	0.4
168.11174	0.2
169.01414	2.1
169.12393	0.3
171.10291	0.9
171.13893	0.3
177.01894	0.3
185.11766	1.6
199.13364	0.4
199.76506	0.2
202.03023	0.2
205.07118	0.3
212.64455	0.3
215.12857	0.5
225.86166	0.2
249.06281	0.2
265.41400	0.3
271.19257	0.4
307.10434	0.5
313.23663	0.2
325.23917	0.8
327.21762	3.1
337.23782	0.5
343.24991	0.6
354.23749	0.3
355.24817	4.5
371.24536	0.5
373.25858	8.2
374.26450	0.3
387.23764	3.4
387.28323	0.3
388.24301	0.2
400.52371	0.2
469.59323	0.2
475.29388	0.6
517.30225	0.7
534.30023	1.1
535.31390	42.8
536.31653	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
64.95228	1.9
71.43982	2.6
71.44328	2.2
87.64211	2.0
88.49525	2.4
121.45667	2.2
133.22130	2.2
164.09016	1.9
254.95860	2.1
281.24896	4.2
304.15372	2.1
320.25577	2.1
341.44220	1.9
375.85110	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	535.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
57.03443	1.0
57.46047	0.2
58.00595	0.5
59.01379	15.5
60.01719	0.4
60.56315	0.3
61.98829	100.0
68.02518	1.1
69.03455	0.4
69.42931	1.2
69.43349	0.6
71.01382	8.2
72.99313	0.9
73.02948	4.9
75.00876	1.0
81.03472	0.3
83.01389	1.2
85.02951	3.5
86.46066	0.2
87.00877	1.1
87.04515	0.3
89.02446	3.8
95.01392	0.8
96.96031	1.1
97.02937	0.3
99.00898	1.2
101.02442	4.9
103.04022	0.6
111.00880	1.0
111.08162	0.3
113.02447	2.8
114.88552	0.2
117.01940	0.4
117.03461	0.6
118.03839	0.3
119.03469	1.3
119.05052	0.4
121.02926	0.4
123.00874	0.4
123.04575	0.3
123.08147	0.3
125.02441	2.9
125.09742	0.5
128.99289	0.7
129.01956	0.4
131.03548	0.4
133.03003	0.3
136.04149	0.2
137.02441	0.6
137.09737	0.3
140.01210	0.4
143.03520	0.5
145.02950	1.5
146.03323	0.4
151.00439	0.4
152.01144	0.2
155.10847	0.5
157.12366	0.3
159.03035	0.4
161.01016	0.4
161.02434	0.3
161.04546	0.6
163.04048	0.5
163.06131	0.8
167.03508	0.6
167.10759	5.8
167.12086	0.4
168.00568	0.4
168.11174	0.2
169.01414	2.1
169.12393	0.3
171.10291	0.9
171.13893	0.3
177.01894	0.3
185.11766	1.6
199.13364	0.4
199.76506	0.2
202.03023	0.2
205.07118	0.3
212.64455	0.3
215.12857	0.5
225.86166	0.2
249.06281	0.2
265.41400	0.3
271.19257	0.4
307.10434	0.5
313.23663	0.2
325.23917	0.8
327.21762	3.1
337.23782	0.5
343.24991	0.6
354.23749	0.3
355.24817	4.5
371.24536	0.5
373.25858	8.2
374.26450	0.3
387.23764	3.4
387.28323	0.3
388.24301	0.2
400.52371	0.2
469.59323	0.2
475.29388	0.6
517.30225	0.7
534.30023	1.1
535.31390	42.8
536.31653	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08012	5.0
61.98832	100.0
71.61736	6.1
91.40591	5.7
95.05183	5.3
281.24887	9.4
356.45026	6.0
491.87537	6.1
514.80774	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	534.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99224	0.8
55.01868	2.1
57.03444	6.6
59.01380	35.9
61.98829	24.8
64.06882	0.8
69.03451	2.1
69.22715	9.0
71.01380	19.0
72.99310	2.5
73.02943	11.8
73.13157	0.9
74.03328	1.1
75.00865	1.8
75.58246	0.8
78.74946	0.8
83.01375	5.8
85.02951	10.2
87.00878	3.2
87.04504	2.1
88.04026	2.5
89.02444	8.7
93.03461	1.2
95.01401	2.8
96.95992	3.3
97.06603	2.2
99.00904	2.3
99.04504	1.5
101.02440	10.1
107.01403	3.3
109.02980	2.6
109.28281	1.1
111.00903	1.8
113.02448	9.2
119.03488	3.3
119.04931	1.1
121.02934	1.2
123.00884	2.6
123.04455	1.4
124.01667	1.7
125.02449	39.5
125.09715	0.9
126.02773	1.4
129.01918	1.2
131.03505	0.9
135.02977	2.7
137.02431	3.8
137.09680	0.9
139.03999	2.6
141.01952	0.9
145.02948	1.8
147.00882	2.1
151.00354	13.7
152.01105	1.8
153.01924	7.7
155.10760	1.5
157.08690	1.9
160.01674	1.2
161.02463	1.2
161.04567	2.0
163.03951	1.4
165.01852	5.1
166.02643	0.9
167.03453	5.1
168.00600	0.9
169.01418	8.4
171.10315	1.3
175.00375	15.5
175.03983	1.3
177.01881	1.6
178.99854	19.4
181.01563	1.7
187.03886	1.4
191.03479	9.4
193.01407	100.0
194.01762	4.2
197.04443	1.2
209.11792	2.0
213.05673	1.2
215.03397	6.7
221.65898	1.1
223.13435	1.0
227.12933	2.2
233.04567	2.2
239.03328	1.0
257.04541	4.3
269.13867	1.6
285.17163	1.0
287.14896	2.0
301.03561	16.2
319.04556	56.7
320.04843	4.6
333.77808	1.1
355.24844	1.2
371.24362	2.9
373.25751	2.3
387.23779	7.6
471.05530	3.7
471.18753	3.8
490.10608	1.6
515.21228	1.9
533.22357	4.0
533.29755	17.2
534.22577	4.4
534.29932	8.3
535.17291	1.3
535.31873	12.4
552.00183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2969
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
55.01888	0.5
57.03443	1.7
58.00595	0.8
59.01379	17.9
61.98829	1.6
64.18682	0.5
71.01383	10.5
71.04995	0.6
72.99309	1.3
73.02932	2.5
75.00871	0.6
77.13207	0.4
83.01399	1.6
85.02957	5.0
87.00886	1.3
89.02442	6.8
95.01416	1.1
96.96017	0.7
97.06608	1.0
98.20676	0.8
99.00854	0.8
101.02435	6.2
109.02894	0.5
113.02472	4.0
117.03470	8.3
119.03544	1.5
119.05058	3.0
122.54396	0.5
123.00899	0.5
123.08235	0.5
125.02411	2.3
125.09745	1.0
137.09724	0.8
139.11325	0.8
143.10867	0.5
145.02957	28.1
146.03339	0.9
161.02472	0.5
163.03995	4.3
169.01408	1.2
171.10236	2.9
185.11789	3.4
205.05145	0.6
214.12161	1.0
215.12907	0.8
225.15010	0.7
229.53943	0.5
243.16025	0.6
265.18222	0.5
283.19293	0.7
291.23111	0.5
301.20160	4.9
301.23221	0.5
311.22354	0.6
335.22430	0.7
341.23239	2.1
353.23376	6.7
355.25031	0.7
369.59552	0.5
371.24371	14.2
371.28995	0.7
372.24716	1.2
515.28632	1.5
533.23804	8.0
533.29938	100.0
534.24200	0.9
534.30267	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29748	0.3
55.01868	1.0
57.03432	1.0
58.00586	0.8
59.01381	15.4
61.98825	3.4
71.01385	9.4
71.02277	0.8
71.05039	0.6
72.99301	1.2
73.02938	3.0
75.00867	0.5
80.28303	0.3
83.01387	1.8
85.02949	5.0
85.40316	0.3
87.00887	1.0
89.02449	5.1
93.03472	0.4
95.01396	1.1
95.05042	0.4
96.96028	0.6
97.06590	0.9
99.00874	1.0
101.02440	5.3
101.60249	0.3
107.01405	0.3
112.76783	0.3
113.02457	2.7
114.35369	0.3
117.03417	0.7
119.03490	1.2
119.05019	0.8
121.02954	1.3
123.00871	0.8
123.08102	0.3
125.02448	2.5
125.08912	0.3
125.09720	1.7
133.02969	0.8
139.11264	0.9
141.09138	0.3
141.12784	0.4
143.10689	0.3
145.02948	3.3
151.00319	0.5
153.09294	0.3
157.12358	0.4
161.02412	2.1
163.03976	0.7
165.01883	0.3
167.03554	0.4
169.01450	2.0
171.10262	3.8
185.11800	3.3
205.05048	0.5
214.12111	0.4
214.96133	0.3
215.12903	0.4
227.12868	0.6
243.15973	1.2
265.06979	0.6
281.17694	0.5
311.22638	0.4
323.22275	0.5
325.24106	0.3
335.22192	0.6
341.23218	2.9
353.23322	4.6
353.84329	0.3
355.24875	0.9
371.24365	12.2
371.29053	0.7
372.24612	1.1
403.76584	0.4
411.13010	2.2
515.28815	1.3
533.29712	100.0
534.17706	0.4
534.30042	9.0
536.61169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58823	1.6
54.90946	1.4
55.01852	3.2
57.03410	4.8
58.00571	2.6
59.01380	100.0
61.98832	10.3
68.99795	1.6
69.03426	2.1
71.01384	58.0
72.99289	6.1
73.02943	26.7
75.00843	2.5
81.03420	1.8
83.01384	13.5
85.02950	27.8
87.00878	7.9
87.04486	1.8
89.02443	31.3
95.01338	4.7
96.95988	4.7
97.02935	1.6
98.20722	3.2
99.00907	8.1
101.02444	64.1
103.04011	13.2
110.74907	1.4
111.00829	2.4
111.04419	1.7
113.02461	21.7
115.03971	2.0
117.03473	25.5
119.03508	18.1
119.04974	9.7
121.02917	1.9
123.00832	1.8
125.02464	13.1
127.55170	1.5
130.08720	2.4
131.03416	4.8
137.02402	2.4
137.50838	1.4
139.03879	1.7
143.03545	10.2
145.02954	95.9
145.04913	6.4
146.03271	2.3
151.00394	1.7
151.07558	2.4
161.02309	4.3
161.04556	9.7
161.05792	2.5
163.04077	11.8
163.06120	56.9
164.06448	1.6
169.01456	7.6
177.01865	2.2
179.05573	3.5
180.28947	1.5
205.05325	2.7
205.07167	25.0
220.71683	1.7
229.17133	1.4
229.47450	1.5
247.08093	1.8
265.09174	5.9
277.15219	1.6
327.18231	10.6
357.26212	2.3
358.26758	3.5
359.27277	2.5
363.20059	2.3
371.23978	4.8
473.23904	20.0
515.28333	3.4
533.23468	58.8
533.29828	9.2
534.23889	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	533.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58823	1.6
54.90946	1.4
55.01852	3.2
57.03410	4.8
58.00571	2.6
59.01380	100.0
61.98832	10.3
68.99795	1.6
69.03426	2.1
71.01384	58.0
72.99289	6.1
73.02943	26.7
75.00843	2.5
81.03420	1.8
83.01384	13.5
85.02950	27.8
87.00878	7.9
87.04486	1.8
89.02443	31.3
95.01338	4.7
96.95988	4.7
97.02935	1.6
98.20722	3.2
99.00907	8.1
101.02444	64.1
103.04011	13.2
110.74907	1.4
111.00829	2.4
111.04419	1.7
113.02461	21.7
115.03971	2.0
117.03473	25.5
119.03508	18.1
119.04974	9.7
121.02917	1.9
123.00832	1.8
125.02464	13.1
127.55170	1.5
130.08720	2.4
131.03416	4.8
137.02402	2.4
137.50838	1.4
139.03879	1.7
143.03545	10.2
145.02954	95.9
145.04913	6.4
146.03271	2.3
151.00394	1.7
151.07558	2.4
161.02309	4.3
161.04556	9.7
161.05792	2.5
163.04077	11.8
163.06120	56.9
164.06448	1.6
169.01456	7.6
177.01865	2.2
179.05573	3.5
180.28947	1.5
205.05325	2.7
205.07167	25.0
220.71683	1.7
229.17133	1.4
229.47450	1.5
247.08093	1.8
265.09174	5.9
277.15219	1.6
327.18231	10.6
357.26212	2.3
358.26758	3.5
359.27277	2.5
363.20059	2.3
371.23978	4.8
473.23904	20.0
515.28333	3.4
533.23468	58.8
533.29828	9.2
534.23889	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	533.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39331	0.3
57.03466	0.5
59.01381	1.0
60.19028	0.3
67.01872	0.6
69.81431	1.6
71.01376	1.2
72.53946	0.3
73.03651	0.3
74.17383	0.3
76.98973	0.3
81.03471	0.3
83.05006	0.5
85.02947	8.2
87.00884	1.9
93.03455	2.9
98.20528	0.6
99.04508	0.5
109.02957	0.7
111.04527	1.1
127.04034	1.6
129.01958	0.6
171.03041	0.4
173.04471	0.9
191.05606	100.0
192.05937	3.7
206.22816	0.3
266.01312	0.3
307.30051	0.4
423.38123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39331	2.3
57.03438	4.7
59.01379	61.2
61.98828	17.8
61.99921	2.2
68.02535	100.0
71.01378	26.0
72.99299	4.3
73.02940	9.4
83.01373	3.8
85.02955	15.5
87.00867	3.0
89.02459	11.2
95.01361	3.7
95.82099	2.0
96.95981	4.6
97.02928	2.6
99.00895	2.6
99.04485	4.1
101.02430	12.4
113.02448	13.9
117.03454	8.6
119.03470	6.1
119.05018	3.4
123.00846	3.0
125.02466	22.9
126.99571	86.1
127.99886	2.5
137.02423	4.4
145.02951	26.3
146.03270	3.2
151.00227	2.1
155.97072	2.1
161.02525	2.8
161.04504	2.7
161.06058	4.5
163.03946	6.5
167.03511	3.1
169.01366	13.3
171.10414	2.2
179.05482	2.6
196.78223	2.1
205.05009	5.9
209.11751	4.3
235.06075	2.8
238.65828	2.0
245.13837	2.7
265.07190	6.8
266.07416	3.8
276.52310	2.1
355.21170	2.2
358.75290	2.5
371.24442	10.4
380.04385	4.0
403.11646	8.2
515.21277	9.4
531.28137	5.0
532.28345	11.5
533.22449	39.1
533.29651	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	2.5
59.01096	2.5
59.01383	29.3
61.98829	7.9
63.21185	1.6
70.67398	3.6
70.67731	2.1
71.01396	9.5
72.99312	3.2
80.84959	1.6
89.02443	22.7
91.04015	74.3
99.79832	1.6
279.23260	5.4
281.24661	3.0
321.31613	100.0
322.31946	7.6
365.30591	64.2
366.30951	5.3
383.31674	61.1
384.31894	4.2
439.34229	34.1
440.34470	3.1
447.25787	2.0
457.35406	49.8
458.35703	5.9
473.19702	5.4
531.23041	21.0
531.31110	2.7
532.21619	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	531.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
58.00603	0.5
59.01382	18.1
61.98824	3.5
67.01861	0.4
67.66003	0.4
68.99818	0.6
69.03471	0.9
71.01379	8.4
71.09721	0.8
72.99300	1.9
73.02961	2.2
75.00877	5.2
75.31282	0.5
77.84221	0.4
81.03466	1.2
83.01394	1.0
83.05006	1.4
85.02954	7.7
87.00880	3.2
89.02449	2.0
93.03442	3.4
95.01408	2.3
96.96011	1.7
97.02948	0.5
99.00891	3.6
99.04505	0.6
99.76351	0.4
101.02422	2.2
103.00381	0.7
107.01437	0.9
109.02988	0.6
111.00893	1.4
111.04535	3.9
113.02447	8.7
117.01902	0.7
117.03458	0.8
119.05019	2.0
121.02984	0.6
125.02434	4.9
127.03992	0.6
129.01959	1.2
138.23700	0.6
145.02940	2.6
146.72911	0.4
150.02264	0.5
151.00343	0.8
155.03520	4.2
161.02402	0.6
161.04536	0.8
161.09651	1.0
163.04016	1.3
165.76886	0.5
169.01390	3.2
173.04550	8.9
175.02441	0.7
185.11812	2.6
187.11250	1.9
199.13406	2.6
203.03471	0.6
205.07153	1.6
205.12364	1.0
224.77502	0.4
231.02861	0.8
231.05103	1.1
249.06142	13.5
259.02438	0.8
267.07196	7.5
271.02451	1.1
287.01971	1.9
297.24326	1.6
309.08316	3.9
309.24402	1.5
315.01431	5.5
316.02353	3.4
317.02939	0.5
325.23895	1.0
327.25375	14.3
328.25873	1.0
337.23541	0.6
339.25345	3.1
340.25513	0.5
355.25076	0.8
357.26443	100.0
358.26801	7.0
369.22858	1.8
399.22607	0.5
410.23813	0.5
462.07980	4.9
463.08731	0.7
499.18256	1.0
513.20129	2.5
513.27246	0.6
518.45184	0.5
531.21063	12.0
531.31464	20.6
532.21484	1.8
532.32764	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	531.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.8
59.01378	12.5
61.98816	6.0
65.96862	1.8
66.56057	1.8
67.24457	1.6
70.74830	3.7
71.01385	21.4
72.99316	5.5
75.00880	20.5
85.02946	17.1
87.00875	5.7
89.02448	6.7
95.01398	6.9
99.00860	11.4
103.00391	2.5
111.00851	2.7
113.02454	32.4
125.02417	2.8
125.43053	1.8
144.17101	2.3
175.02408	3.7
205.07028	2.8
232.44643	1.9
249.06111	7.4
267.07230	8.9
279.23209	5.7
281.24844	74.1
282.25238	7.1
302.80209	1.8
531.31726	100.0
532.32324	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	531.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33247	0.6
58.11972	0.6
59.01382	8.1
61.98820	1.9
70.65000	1.9
71.01377	4.9
73.15765	0.7
83.01413	0.8
85.02961	1.4
89.02448	4.9
101.02448	6.2
113.02451	2.7
113.09721	1.3
119.03483	0.9
125.02431	2.4
140.90491	0.6
161.04532	3.0
169.01413	1.8
177.01927	0.8
179.05582	1.0
181.73262	0.7
195.13892	13.1
253.09268	23.9
254.09676	1.5
275.20325	0.7
276.20300	0.8
277.21692	13.3
278.21884	0.6
293.21170	1.4
294.21503	1.5
295.22763	100.0
296.23077	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.8
57.03431	1.4
58.00550	1.0
59.01380	18.2
61.98833	5.8
68.02509	1.9
69.03449	0.9
71.01383	10.9
71.55888	0.6
72.99293	0.8
73.02940	5.0
75.00867	1.3
80.18523	0.8
83.01385	3.1
83.04989	0.7
85.02950	5.4
87.00872	1.8
87.04501	1.3
89.02437	5.2
93.03430	1.9
95.01375	1.4
95.05025	0.8
95.21440	0.7
96.95972	1.3
97.06594	0.7
99.00826	2.0
101.02448	6.8
109.02925	1.4
109.54084	0.6
113.02442	5.8
117.03465	33.4
119.03590	1.5
119.05023	31.5
120.05460	0.8
121.02986	1.9
121.06570	1.4
123.00903	0.7
123.04513	1.0
125.02448	6.2
125.09678	0.9
126.99554	2.3
129.05600	0.8
132.05800	1.5
133.06596	7.0
137.02429	3.5
137.09747	7.6
139.00374	1.1
145.02951	100.0
146.03300	3.7
149.02437	1.3
151.00397	0.8
159.04562	1.1
161.02463	1.0
161.04626	1.6
161.06062	19.1
163.04004	40.8
163.11249	1.2
164.04414	1.4
165.01839	1.3
167.03531	1.0
169.01453	3.9
177.01874	0.8
177.05559	5.8
177.19225	0.7
179.05612	0.7
180.99661	2.7
182.18687	0.6
185.31250	0.7
187.04033	2.9
187.54414	0.7
190.02644	0.6
191.07077	0.9
205.05049	31.9
205.12381	1.9
206.05466	1.3
223.06187	1.1
235.06102	35.7
236.06476	1.6
240.06943	0.6
251.57532	0.7
253.04794	0.8
265.07166	74.6
266.07544	4.4
271.06259	0.9
289.07043	4.3
297.97345	0.6
307.08356	2.9
309.13422	4.2
325.09271	9.7
351.22098	0.7
360.61838	0.6
361.18964	0.7
369.22659	3.5
375.27835	1.1
427.23932	0.9
487.29532	0.7
531.28668	21.4
532.29089	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	531.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90963	0.9
54.43165	1.0
57.03439	2.7
59.01381	100.0
61.98817	3.8
68.99820	1.1
69.03438	2.1
69.41978	8.4
71.01386	26.4
72.99299	1.0
73.02943	4.4
78.69284	1.1
83.01390	2.7
83.05029	1.5
85.02952	10.6
87.00871	2.9
87.04510	2.1
89.02450	8.2
89.06093	3.3
95.01365	1.9
96.28431	1.0
96.96014	2.7
97.02923	1.6
99.00928	1.1
101.02452	8.9
113.02458	12.0
119.03501	1.5
121.02927	2.9
123.49248	1.0
125.02464	5.2
126.11980	1.2
143.03459	1.5
151.00360	1.3
159.03036	1.9
161.04562	6.7
165.01927	1.7
169.01431	4.6
179.05563	1.7
183.58995	1.0
189.03978	1.2
205.07147	1.6
205.12300	1.5
209.89481	1.0
223.13354	3.3
237.07648	6.0
249.06117	1.3
251.11356	23.8
263.07800	7.4
267.12186	1.1
267.15909	1.4
281.08707	3.9
291.08786	2.0
323.09869	2.0
381.11932	25.9
382.12277	2.1
399.12662	1.4
487.21695	3.3
531.20923	7.8
531.27631	2.5
532.22235	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54243	1.5
56.64063	1.6
57.03442	7.0
58.00574	1.9
59.01378	100.0
61.98826	9.4
64.65105	1.5
67.01874	2.5
68.99818	4.0
69.03472	3.0
69.94637	4.0
69.95047	4.1
71.01382	41.9
72.99304	12.8
73.02942	10.3
73.44014	1.8
75.00871	27.9
81.03446	3.1
83.01405	5.7
83.05014	1.8
85.02950	40.5
87.00871	13.7
89.02432	14.1
93.03406	3.0
95.01403	9.8
96.95988	5.2
97.02935	2.1
99.00883	21.0
99.04517	6.4
101.02448	11.1
103.00352	5.0
103.04054	1.8
107.05054	2.3
108.04854	1.5
109.02952	1.8
111.00867	3.9
113.02452	50.1
114.02724	2.1
115.00376	4.4
117.01947	4.8
117.03461	9.5
117.04169	1.6
119.03477	3.5
119.05011	6.1
121.48720	1.5
123.00845	2.2
125.02444	9.8
129.01939	4.5
131.03488	2.0
137.02449	4.9
143.03481	1.6
145.01869	3.1
145.02951	36.2
151.00378	2.1
161.02457	3.5
161.09694	4.5
161.13292	1.6
163.04024	7.6
163.11267	3.2
167.03496	3.8
169.01385	5.2
175.02446	5.6
187.11256	9.9
187.12631	1.6
189.09410	1.7
201.11209	2.2
205.05122	1.7
205.07114	6.6
205.12337	9.8
219.13760	3.7
223.13362	4.8
231.05070	4.5
233.10953	1.8
235.06094	2.1
249.06137	81.2
250.06490	2.4
265.07074	2.0
267.04294	2.7
267.07193	50.0
281.14117	3.2
287.15204	2.4
306.65048	1.7
309.08298	23.4
317.02887	3.7
367.10416	3.4
369.22849	7.6
373.25891	2.6
429.52615	1.7
481.17047	2.1
482.30408	1.8
495.20084	4.9
498.73459	1.6
499.18076	3.4
513.19934	16.9
531.20892	85.4
531.28137	27.4
532.21100	8.4
532.28418	3.7
555.19122	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	531.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
58.00562	0.9
59.01379	4.8
60.23969	0.9
60.99307	17.9
66.32578	1.0
69.18007	10.5
70.99622	1.0
71.01376	2.2
75.00877	1.3
81.03481	1.3
83.01382	1.6
85.02950	2.0
88.98805	100.0
89.02451	1.4
96.95995	2.5
97.02921	1.8
99.00873	1.3
101.02420	1.5
107.01366	1.2
108.07304	0.9
109.02969	5.1
113.02436	1.8
123.00822	2.0
123.04501	2.5
125.02448	45.9
126.02766	1.7
137.02417	5.7
145.02959	1.3
149.02469	2.0
151.04034	2.5
160.05278	1.2
161.06024	1.8
165.01904	2.5
166.99855	1.3
167.03452	1.3
168.00545	1.8
169.01422	81.0
170.01735	3.4
179.03490	1.4
187.03992	1.2
188.04753	1.6
193.01353	4.3
193.03426	2.3
198.05247	0.9
203.07033	4.1
205.05075	1.8
207.91902	1.0
245.08211	5.3
271.06189	5.4
289.03934	1.4
289.07166	29.7
290.07574	1.5
303.05066	1.8
331.04416	3.0
441.08276	27.8
442.08490	3.0
507.88968	1.1
531.20020	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	530.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97796	0.4
59.01374	0.7
61.98819	2.2
68.01142	0.4
71.01379	1.0
75.00884	1.0
76.33064	0.5
78.95905	17.8
85.02942	1.2
86.03250	0.5
99.00882	0.6
103.15651	0.4
106.15039	0.4
107.88910	0.4
113.02437	1.5
152.99557	2.7
168.04283	2.7
224.06885	6.4
242.07973	2.0
255.23276	100.0
256.23566	6.6
277.21640	1.0
279.23270	1.6
280.23734	3.1
480.30914	65.0
481.31271	6.4
481.43176	0.4
530.30341	5.4
530.98090	0.6
541.50104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01378	6.5
61.09623	0.8
61.98833	19.9
69.03452	1.8
71.01388	4.9
72.99303	1.8
73.02930	1.1
75.00869	4.1
85.02957	3.4
95.01371	1.2
96.96046	1.8
99.00904	1.1
101.02443	2.9
107.01366	5.6
111.00818	1.7
113.02454	0.9
123.00889	5.8
125.02448	27.0
129.01944	2.0
139.00334	1.9
140.01152	1.7
141.01961	1.2
145.02907	2.4
151.00378	5.2
168.00592	2.5
169.01425	51.3
170.01807	1.1
177.04044	17.7
211.02405	2.1
272.14520	0.9
329.05054	4.7
467.19202	100.0
468.19482	9.8
531.28381	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70373	0.6
53.74312	0.6
59.01379	8.7
70.87038	1.5
71.01389	5.5
72.99290	0.8
78.95889	0.9
83.01384	1.1
85.02940	1.2
87.00884	1.2
89.02455	6.1
89.99136	0.8
95.01367	0.9
101.02448	7.1
111.08146	0.9
113.02442	3.4
119.03516	1.8
119.74882	0.6
121.10254	1.7
125.02431	1.3
161.04547	3.1
163.97250	0.6
171.10249	7.6
179.05685	1.7
190.60725	0.7
190.99236	0.7
195.13898	8.8
199.23407	0.6
223.13350	6.0
228.13698	1.2
253.09265	30.2
254.09563	1.7
256.13141	1.3
275.20169	10.4
291.19742	2.2
292.20078	1.6
293.21222	100.0
294.21567	7.9
323.99854	0.8
447.13550	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52808	1.5
51.74375	1.6
51.76858	1.3
57.03477	1.5
61.98825	10.7
62.96278	1.6
69.03490	1.5
69.40047	12.0
71.01377	4.7
72.99992	1.3
75.00883	2.3
76.58961	1.5
79.06657	1.7
85.02964	3.1
87.27557	1.5
95.01400	3.9
96.96048	2.7
97.02931	1.8
101.02389	1.9
106.05699	1.7
107.01402	5.5
111.00893	2.0
111.38950	1.4
113.02440	4.7
123.00916	7.9
123.04501	3.5
125.02444	36.1
134.03722	5.2
138.03221	2.0
139.00406	5.3
140.01202	1.8
151.00363	5.2
151.10960	1.5
153.05574	18.8
155.98589	1.4
168.00661	2.1
169.01419	53.9
170.01794	2.6
179.03424	1.6
193.05096	3.7
217.30856	1.6
249.06020	1.6
267.07098	3.3
285.92514	1.9
313.05655	17.8
316.58813	1.8
361.05362	1.7
373.73483	1.9
443.11945	5.5
467.11932	100.0
468.12122	7.4
520.60559	2.0
531.14020	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	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62221	0.2
55.01874	0.4
57.03453	0.5
58.00606	0.4
59.01378	9.9
68.19418	0.1
69.03462	0.4
71.01379	7.6
71.52411	0.2
72.99310	0.7
73.02945	1.1
75.00876	0.2
78.95903	0.2
83.01363	0.8
83.04990	0.2
85.02943	1.8
85.35257	0.1
87.00880	1.3
89.02443	7.1
91.04034	0.3
95.01398	0.7
95.05022	0.3
97.02952	0.3
97.06573	0.3
99.00900	0.5
101.02443	8.2
111.00911	0.1
111.08151	0.5
112.98821	0.3
113.02454	4.1
113.09738	0.3
114.87293	0.2
115.03989	0.1
119.03513	2.0
125.02457	0.5
131.03506	0.3
140.38164	0.1
143.03490	0.7
145.23677	0.2
149.04556	0.3
149.09857	0.2
161.04555	4.2
167.10794	0.3
177.12833	0.4
179.05594	1.3
179.14479	0.7
181.12376	0.4
185.53842	0.2
195.13902	9.8
196.14494	0.6
197.15170	0.1
205.12335	0.8
205.16002	0.4
211.13416	0.6
223.13374	6.3
224.13855	0.4
228.13751	0.7
231.21185	0.4
235.08203	0.3
249.22218	0.2
253.09274	30.9
254.09578	1.2
256.13174	1.2
257.13348	0.2
265.21732	0.6
275.20148	5.5
276.20676	0.3
293.21213	100.0
294.21564	6.7
447.13647	0.2
492.22180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90367	1.6
59.01378	6.9
61.98834	2.4
71.01379	6.6
71.53274	2.3
73.27992	1.7
85.02856	1.8
88.35204	1.9
89.02448	5.0
89.74023	1.7
96.96024	2.6
101.02443	8.5
102.77505	1.9
113.02470	3.1
120.79901	1.9
128.29311	2.4
161.04550	4.0
195.13939	12.9
223.13397	5.5
230.35707	1.8
253.09283	29.6
275.20157	5.9
279.23346	6.3
291.19617	3.9
292.20190	4.3
293.21231	100.0
294.21573	3.9
462.57907	2.1
528.99915	2.1
529.30560	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01102	0.6
59.01380	8.0
61.98830	5.2
65.03954	0.5
67.01854	0.3
71.01388	3.3
71.56252	0.4
72.99309	0.5
73.02956	2.3
75.00864	0.7
83.01384	0.8
83.05029	0.5
84.88643	0.3
85.02972	1.6
87.00884	1.3
88.04006	0.5
89.02460	1.6
93.03458	51.9
94.03785	0.8
95.01402	0.6
96.96021	1.9
99.00894	0.5
99.04554	0.5
101.02470	2.7
107.01370	0.4
109.02975	0.4
111.00822	0.7
113.02447	2.1
114.01028	0.3
119.03493	0.5
119.05030	0.4
123.00897	1.7
124.01682	0.6
125.02454	4.9
126.02829	0.3
137.02444	100.0
138.02759	2.5
139.00395	0.4
139.03993	0.5
140.01183	0.6
141.09200	0.3
143.03503	0.6
149.04532	0.4
151.00311	0.4
151.07616	0.4
152.99626	0.5
161.02536	0.8
163.04018	0.4
163.06091	0.7
168.00592	0.5
169.01418	3.9
170.01746	0.4
175.02472	0.3
179.03482	0.5
191.90576	0.4
205.07155	0.8
211.02461	0.8
213.15073	0.5
256.14706	0.4
271.04721	0.6
272.04843	0.5
273.05194	0.6
301.06500	2.4
301.56677	0.5
303.21793	0.6
373.25967	0.4
377.07028	3.2
377.57129	0.9
429.13849	0.4
466.19263	0.5
469.24191	0.5
529.19501	4.2
529.27258	2.4
531.28564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16378	0.2
59.01387	2.2
61.98827	1.5
69.03455	0.6
70.56293	1.0
71.01357	1.6
72.99324	0.3
74.02458	0.7
75.00862	0.5
79.01907	0.3
81.85368	0.3
83.01384	0.4
85.02954	0.7
87.00917	0.4
87.73634	0.3
89.02451	0.5
90.15604	0.3
91.99385	0.3
93.03423	0.3
96.95997	0.8
97.02935	0.4
99.04527	0.3
100.73392	0.3
101.02451	0.4
107.01386	32.5
108.01713	0.8
111.00884	0.5
113.02430	0.6
113.99564	0.4
122.03667	0.4
123.00913	1.4
125.02442	45.7
126.02801	1.2
135.04523	0.3
137.02385	0.3
139.00346	0.8
140.01144	0.3
142.59633	0.3
151.00369	0.8
151.03879	0.3
152.03526	4.6
153.03925	0.3
154.80257	0.3
154.99820	0.7
168.00676	0.5
169.01414	100.0
170.01784	2.7
214.11893	0.4
313.05576	3.5
323.47482	0.3
356.27481	0.4
359.14755	0.5
466.09848	5.6
467.10782	0.5
499.29767	1.9
529.22314	1.8
529.30420	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.0
61.98836	2.8
69.49614	1.5
69.50032	1.9
69.95505	0.4
71.01394	2.2
73.02946	0.4
74.02468	2.0
76.71940	0.4
79.01875	0.4
81.03416	0.7
85.02956	1.1
89.02477	0.8
95.01406	0.5
95.05015	0.5
96.95992	0.9
99.00872	0.7
101.02435	0.8
107.01392	33.7
108.01744	0.5
111.00911	0.4
113.02471	0.9
115.05138	0.6
115.08793	0.7
122.03734	2.5
123.00890	1.7
125.02451	50.8
126.02788	1.2
137.02449	0.7
139.00383	1.6
140.01193	0.6
141.01961	0.6
143.11906	1.4
151.00374	2.1
151.03976	0.6
152.03535	24.1
154.09865	0.9
154.99850	0.8
168.00641	1.0
169.01425	100.0
170.01758	2.0
177.01782	0.5
183.46005	0.5
187.10890	0.5
196.10951	2.3
205.37685	0.5
208.42952	0.5
211.02490	0.7
214.11963	1.3
241.03339	0.5
256.20340	1.0
256.88446	0.4
271.04837	0.5
313.05612	12.7
314.06271	0.5
355.27216	0.9
466.09900	22.9
467.10239	1.9
498.29501	5.1
499.29398	2.2
528.30316	2.3
529.22528	2.5
529.30585	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27909	3.5
57.03433	3.8
59.01365	12.4
67.01874	3.7
71.01377	29.3
72.99308	5.4
75.00878	18.6
76.10196	3.2
76.28263	3.4
78.46315	3.4
79.95737	5.0
80.96513	60.1
85.02945	27.3
86.99670	3.4
87.00837	9.4
94.98080	15.3
95.01374	8.9
98.20685	6.7
99.00849	8.8
101.02444	5.2
113.02432	31.3
119.48576	3.2
125.02361	4.0
134.97572	4.8
135.42198	3.5
137.95586	3.4
148.99106	6.9
152.34315	3.5
152.98579	6.8
164.95125	3.9
164.98628	8.0
194.06651	4.0
205.07220	5.1
225.00668	13.7
233.92610	3.5
249.06131	14.4
267.06979	6.1
277.21701	68.3
278.21857	7.6
278.40057	3.9
291.19583	19.1
527.26056	100.0
528.26483	7.7
549.16699	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	527.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87822	23.7
56.78072	23.0
58.63541	27.2
62.18283	22.1
70.40425	100.0
135.57321	29.5
179.49863	27.3
241.08287	26.8
253.09160	36.6
255.22826	27.9
268.16678	27.9
291.19675	82.3
359.03793	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55990	0.6
54.57378	0.7
57.03439	2.8
58.00587	0.8
58.80259	0.6
59.01375	12.7
63.33355	0.9
67.01900	1.0
68.99820	1.1
69.03454	1.1
70.32761	0.7
71.01383	16.6
71.17336	1.5
72.99310	4.7
73.02943	1.0
75.00872	20.8
81.03483	0.8
83.01414	1.3
84.02161	0.9
85.02953	22.0
87.00869	6.9
89.02456	2.6
91.59446	0.6
95.01392	4.9
99.00881	11.8
103.00366	3.3
106.28927	0.7
109.02930	1.0
111.00815	0.9
113.02448	28.7
115.00357	2.5
115.01134	0.7
117.01953	3.5
129.01952	1.8
149.47720	0.9
157.01379	1.3
175.02498	3.7
205.07164	1.3
231.05116	2.4
249.06123	22.4
250.06609	1.0
267.07202	5.1
277.21698	79.4
278.22052	6.3
445.78671	0.7
509.27551	3.7
527.28577	100.0
528.28900	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	527.2532
Annotation	chaetoglobosin C
Peak:m/z	Relative Intensity
59.01344	5.9
60.71935	1.7
70.71769	5.6
71.01399	9.6
71.02457	1.9
73.02905	2.1
75.00847	3.9
78.98566	4.3
79.95701	6.5
80.96519	57.5
83.01321	2.1
85.02910	7.6
87.00872	3.8
94.98103	13.8
95.01286	2.3
96.95928	3.7
99.00818	2.7
101.02343	1.9
105.15633	2.3
113.02382	8.9
120.24218	2.0
122.97575	2.4
134.97527	4.4
148.99043	6.4
152.98494	4.3
164.98610	10.7
206.99611	3.3
209.07172	2.2
225.00682	12.7
249.06148	3.4
267.07001	2.3
276.69470	2.2
277.21768	19.4
278.21741	2.5
291.19629	11.1
299.04007	2.7
352.48505	2.0
421.44107	2.5
527.24939	100.0
528.25183	11.1
550.29529	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	527.2136
Annotation	Dutasteride
Peak:m/z	Relative Intensity
57.03434	1.3
59.01382	13.4
61.98836	9.6
67.01895	1.5
69.03442	1.2
69.16731	4.5
69.17148	3.8
71.01387	9.6
72.99316	1.4
73.02962	2.2
75.00861	0.9
78.95914	0.9
79.01900	1.0
79.95721	0.9
83.01394	2.3
85.02970	5.0
87.00865	1.9
89.02448	3.7
95.01386	2.9
96.96017	6.0
97.02919	1.4
98.20632	1.9
99.00851	1.1
101.02443	7.2
107.01385	5.8
109.02959	0.8
110.53256	0.7
111.00876	2.7
113.02438	4.2
119.03512	1.3
119.04998	1.9
123.00884	17.2
123.04536	1.1
124.01682	1.7
125.02452	31.3
126.02819	1.7
127.00362	0.9
135.04460	0.9
136.98779	2.4
137.02412	2.3
139.00360	6.2
140.01186	4.7
141.01942	2.4
149.86462	0.8
151.00356	14.1
153.01924	1.1
161.02452	1.2
161.04543	0.9
163.03961	3.1
167.03497	1.4
168.00655	5.9
169.01427	27.5
170.01794	1.8
179.03429	0.8
211.02513	6.5
213.14923	2.9
213.16837	1.0
271.01868	0.9
271.04602	10.2
305.06873	1.1
313.05600	2.4
317.02545	1.1
321.19077	1.8
331.06696	1.5
335.05313	0.9
375.12262	1.4
375.16519	4.5
375.20401	1.8
464.09073	2.7
467.25012	2.1
471.18649	4.0
483.18741	7.6
509.20044	6.9
510.20117	1.6
527.21753	100.0
528.21918	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	527.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00619	0.6
58.02973	8.9
59.01373	9.3
60.99313	0.4
67.01913	0.8
67.88959	0.4
69.03487	0.5
69.59978	3.1
71.01379	6.0
72.99341	2.1
73.02981	0.5
81.73250	0.4
83.01420	0.6
84.04586	0.7
85.02993	1.9
87.00883	1.0
89.02437	7.7
95.01421	1.7
97.02945	0.7
100.04062	0.6
101.02467	3.6
107.01373	2.7
110.98505	0.5
111.00907	1.0
111.78533	0.5
113.02439	3.1
113.10016	0.5
119.03503	2.8
123.00896	3.8
124.01655	1.0
125.01537	0.7
125.02444	13.0
126.05640	1.8
126.10419	0.5
133.01454	1.6
136.98856	0.7
137.02420	0.6
139.00366	2.2
139.08803	1.3
140.01181	1.3
141.01958	0.6
141.10356	3.6
142.05049	0.5
143.03531	0.9
143.08257	3.6
143.29318	0.5
147.40190	0.5
149.02478	0.5
150.03229	1.4
151.00336	2.4
151.04010	0.6
161.04614	1.0
167.03639	0.6
168.00626	1.9
169.01411	18.2
170.01736	1.0
179.05629	5.7
183.02948	0.4
185.09303	100.0
186.07890	0.8
186.09619	3.3
191.05634	0.8
211.02493	1.3
268.66071	0.5
271.04483	1.5
275.63342	0.5
313.05420	1.2
321.09912	0.8
341.10852	21.7
342.11063	1.1
357.08206	0.8
375.04709	0.8
375.09271	12.9
376.09720	0.8
385.07535	0.7
479.11957	4.4
509.12360	1.5
527.09985	22.3
528.10095	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.6
61.98837	4.2
69.03445	1.2
71.01064	0.7
71.01385	7.6
72.99297	1.0
73.02926	2.9
75.00845	1.1
78.95871	0.9
78.98600	5.2
79.95737	7.3
80.96519	50.9
85.02963	3.5
87.00895	3.3
89.02423	1.7
93.03416	0.7
94.98079	10.9
95.01397	0.8
96.96004	3.7
97.02930	1.6
99.00906	1.0
99.04507	1.4
101.02467	3.1
106.98077	2.3
107.01374	1.4
107.04974	0.8
109.02936	0.8
111.00851	1.0
113.02390	2.5
119.03479	0.8
120.99691	0.7
121.02855	0.6
122.97540	2.0
123.00838	2.4
124.01640	2.0
125.02451	15.1
127.03951	0.7
134.97571	5.0
135.04520	1.6
136.98880	1.1
137.02419	1.3
139.00348	1.4
139.03987	1.5
140.01138	1.1
148.99146	5.6
151.00294	2.4
151.11259	1.0
152.98647	4.8
154.12561	0.6
155.03528	0.7
157.62759	0.6
161.02391	2.1
164.98633	9.8
168.00645	4.3
169.01442	16.1
169.36662	0.6
179.03505	1.5
181.12335	0.7
183.13925	3.7
201.14932	1.6
206.99600	2.4
211.02467	21.0
224.98631	1.1
225.00734	14.8
229.48683	0.9
271.04581	39.7
272.04791	1.0
299.04355	2.0
320.53253	0.7
321.20700	0.8
331.06689	9.0
397.42126	0.7
483.18555	0.9
509.16949	1.3
527.17871	100.0
528.18146	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	527.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86932	0.5
54.93193	0.5
57.03428	0.5
59.01382	2.9
59.89462	0.5
61.30029	0.6
61.98822	1.6
63.60218	0.5
69.22262	3.4
69.22663	1.5
71.01064	0.5
71.01381	6.6
73.02931	1.9
78.98586	5.3
79.95730	8.3
80.96516	55.4
81.03423	0.7
83.01373	0.7
85.02984	2.8
87.00845	1.8
89.02422	0.8
94.98092	13.0
96.95993	2.2
97.02927	1.4
98.19838	1.1
101.02409	2.2
106.98061	2.0
107.01400	0.6
113.02425	1.1
122.97596	3.0
125.02436	5.6
127.03983	0.8
134.97578	3.3
136.99152	1.2
138.62085	0.5
139.00343	0.7
147.45905	0.6
148.99155	5.4
152.98625	4.4
164.97318	0.7
164.98618	11.5
169.01370	2.3
183.13892	4.6
206.99664	2.6
211.02388	0.8
225.00732	17.4
271.04459	1.9
299.04413	2.6
483.19006	1.3
509.15985	0.8
527.17969	100.0
528.18317	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	527.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10413	6.7
53.23774	7.0
53.86798	7.1
57.03463	7.4
59.01374	12.4
63.22010	5.8
70.26688	16.0
71.01378	14.2
85.02918	8.8
86.44641	7.0
107.01414	13.4
111.00896	8.8
121.87048	7.0
123.00887	17.7
125.02470	83.7
139.00375	14.7
140.01128	10.6
150.03217	17.3
151.00406	18.5
165.05582	8.5
168.87659	7.6
169.01421	100.0
171.11096	7.5
183.02995	10.3
195.13908	56.7
196.43018	9.1
313.05591	20.9
375.09317	33.6
479.11859	44.6
509.12430	12.1
527.11304	51.1
527.12744	50.4
527.22742	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	527.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65883	1.0
55.01868	1.4
55.29945	1.0
55.85791	1.0
57.03417	1.4
58.00596	1.5
59.01380	42.9
61.98810	3.8
64.07619	1.0
67.01872	2.8
69.03445	1.8
69.29166	1.4
69.29566	8.6
71.01381	25.2
72.99299	2.8
73.02947	5.0
75.00873	1.0
79.01886	3.0
83.01372	5.1
85.02951	8.3
86.39596	1.0
87.00872	2.8
89.01921	1.8
89.02440	21.5
95.01382	4.8
96.96007	6.7
97.02926	2.2
98.19927	1.9
99.00851	2.9
101.02437	18.6
107.01403	12.1
109.22080	1.0
111.00900	5.3
111.04478	1.1
113.01819	1.0
113.02449	11.5
119.03498	8.4
119.04988	1.3
122.99991	1.4
123.00887	23.7
123.04463	1.0
124.01679	3.0
125.02451	50.7
126.02801	1.2
127.00346	1.4
129.98828	1.0
133.98593	0.9
136.98758	3.1
137.02429	2.2
139.00369	11.0
139.03981	1.1
140.01190	7.5
141.01848	2.9
151.00363	16.4
153.04343	1.3
161.04501	1.7
163.03976	2.8
165.01921	1.1
167.03444	1.3
168.00635	13.8
169.01430	55.0
169.12364	1.1
177.09122	2.2
195.20557	1.0
211.02463	31.7
260.08823	1.0
271.04587	42.3
272.04742	1.2
313.05438	1.2
331.06787	7.0
357.15302	3.6
375.12234	2.0
375.16565	35.5
376.17093	2.8
483.18741	41.9
484.18835	3.3
509.16592	33.5
510.16800	3.4
527.17505	100.0
528.17975	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	527.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48693	0.9
52.96071	0.8
55.01881	1.6
57.03444	1.4
58.00592	1.1
59.01381	34.2
59.01684	1.9
61.98817	2.4
67.01867	2.4
69.32831	4.1
69.33261	3.1
71.01381	26.1
72.99316	2.1
73.02931	3.8
75.00894	1.2
79.01887	1.6
83.01382	3.1
85.02960	7.8
87.00871	2.1
89.01924	1.5
89.02451	21.6
93.03447	1.0
95.01375	5.6
96.96009	4.6
97.02969	2.1
99.00877	1.7
101.02451	18.6
107.01391	9.0
110.00057	1.3
111.00888	4.6
113.02445	10.2
117.32214	0.9
119.03506	8.7
123.00886	21.6
123.04549	1.0
124.01713	1.9
125.02448	38.6
127.00395	0.8
130.34772	0.8
131.03445	1.3
135.04623	0.8
136.98802	2.9
139.00383	9.1
140.01158	5.2
141.01920	2.7
143.03551	1.0
151.00378	12.6
151.11246	0.9
153.01889	1.5
154.99884	1.6
159.03026	0.9
163.03972	1.4
165.02003	1.1
167.03444	1.7
168.00632	9.8
169.01430	43.6
169.12279	0.9
170.01735	1.1
177.09212	2.0
179.03369	0.8
179.05571	1.2
195.02960	0.9
195.10434	0.9
211.02495	27.1
212.02808	1.3
224.10527	0.9
268.85672	1.0
271.04590	40.4
272.04898	1.8
305.07620	0.9
313.05685	1.6
317.35123	0.9
327.08038	1.0
331.06671	5.6
357.15408	3.0
375.12323	1.9
375.16580	37.2
376.16992	1.9
447.18564	1.0
464.08432	0.9
483.18732	39.5
484.18961	3.3
509.16589	36.0
510.16940	3.1
516.01880	0.8
527.17615	100.0
528.17981	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	527.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.5
67.01913	1.6
69.33256	11.6
71.01375	4.9
72.99297	1.6
79.01886	2.7
83.01385	2.3
85.02953	5.7
87.00878	1.7
95.01356	2.3
96.96013	24.2
97.03000	1.9
98.19950	3.5
101.02457	5.8
102.11259	1.3
107.01384	18.5
111.00899	6.6
113.02447	1.8
119.05033	2.4
119.15063	1.6
123.00894	23.6
123.04535	2.2
124.01666	5.9
125.02448	76.1
126.02769	3.4
127.00343	1.7
134.26256	1.7
136.98798	3.5
137.02539	1.6
138.86047	1.4
139.00354	11.1
140.01155	10.2
141.01903	2.9
149.02426	5.2
150.03223	15.7
151.00377	14.2
151.03995	2.7
152.36226	1.5
155.03458	1.4
163.03938	1.8
164.04788	2.0
165.05560	9.8
166.99889	1.4
167.03497	1.5
168.00665	11.8
169.01425	100.0
170.01768	4.3
181.05089	2.4
181.71361	1.7
183.03023	6.9
191.19946	1.4
195.06636	2.0
207.85092	1.6
211.02460	5.7
225.04048	4.6
229.29619	1.4
271.04568	2.9
285.06131	7.6
297.06097	2.9
313.05551	16.3
314.05893	2.2
333.74915	1.6
357.08304	2.2
375.09308	40.4
376.09818	2.5
385.08023	7.9
402.54929	1.7
429.10022	1.7
479.11969	58.6
480.12201	6.0
509.12860	13.3
510.13184	1.7
527.10925	64.4
528.11194	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	527.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
57.05025	1.2
59.01381	2.7
67.01898	1.9
69.03462	1.7
71.01368	5.2
71.13998	2.4
71.14337	1.5
73.02963	1.6
79.01896	3.2
81.03449	1.1
83.01416	1.4
85.02943	3.0
87.00893	2.1
95.01382	2.7
96.96011	9.0
99.00867	1.5
101.02448	3.8
107.01402	16.7
110.00092	1.5
111.00848	6.1
113.02453	2.7
119.05061	1.4
120.50769	1.5
123.00880	22.9
123.04514	2.7
124.01661	3.9
125.02447	65.9
126.02805	1.8
127.00343	1.9
136.98788	4.7
137.02412	2.1
139.00388	10.8
139.03969	2.1
140.01176	9.4
141.01868	1.7
149.02448	6.3
150.03218	21.1
151.00356	14.5
151.03923	3.1
163.04060	3.1
164.04868	2.3
165.05569	16.5
168.00621	14.8
169.01419	100.0
176.94972	1.5
179.03479	1.9
180.04291	1.8
183.02937	8.4
195.06618	2.1
210.01691	1.5
211.02382	6.7
211.65338	1.1
225.04005	6.2
241.03587	2.4
271.04599	4.7
285.06161	10.3
297.06186	4.1
313.05664	20.7
314.05789	1.7
349.84009	1.3
375.09274	26.2
385.07639	8.2
479.11923	78.7
480.12231	5.2
491.12009	1.6
509.12869	14.4
527.13690	62.5
528.15131	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	527.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
59.01126	1.1
59.01378	6.2
59.23469	0.9
65.00283	1.3
67.01854	1.9
71.01385	6.5
72.99294	1.6
73.02943	2.0
79.01898	1.8
83.01381	2.5
85.02960	7.7
88.59515	1.1
89.02438	1.9
89.97461	1.2
93.03461	1.4
95.01382	3.1
96.96014	1.3
101.02446	5.5
107.01384	15.2
109.02925	1.1
111.00859	4.6
113.02428	3.1
117.85643	1.1
119.03473	1.6
123.00903	18.8
124.01679	3.2
125.02448	70.1
126.02746	1.5
126.81396	1.1
136.98778	2.0
137.02478	1.3
139.00377	6.8
140.01141	5.7
151.00386	12.6
153.01863	1.5
154.99835	1.4
155.03416	1.7
157.88493	1.0
163.04027	2.3
165.05568	1.6
166.99835	3.9
167.03491	1.5
168.00668	6.8
169.01424	96.3
170.01744	4.0
183.02892	1.1
211.02467	5.3
223.02431	1.6
223.04565	1.9
235.02457	1.8
271.04581	2.9
285.08817	2.7
313.05576	4.0
317.11096	1.2
325.01865	1.4
331.07101	1.2
357.08264	2.0
375.09329	100.0
376.09595	4.2
452.18005	1.8
464.09042	3.3
509.05692	1.7
527.10382	90.5
527.23187	3.6
528.10608	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	526.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97663	0.3
59.01374	1.7
59.06041	0.2
60.36012	0.3
61.98829	100.0
71.01392	1.2
72.99339	0.3
80.96513	0.5
83.01384	0.3
85.02962	0.7
87.00877	0.3
89.02442	0.3
96.96030	0.8
99.04608	0.4
101.02429	0.4
109.02983	0.3
111.00885	0.6
113.02452	0.7
122.59805	0.3
123.00871	0.6
125.02459	3.6
150.03209	0.4
151.00352	0.3
165.05560	0.5
166.06070	0.6
169.01443	4.0
173.00970	0.3
225.00937	0.4
242.29269	0.3
313.10837	0.4
314.11057	0.5
316.02142	0.6
328.93912	0.3
348.50751	0.3
365.19531	0.3
463.08939	0.8
468.34424	0.3
478.19669	0.8
526.20575	1.2
527.18048	1.6
527.20795	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	526.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73017	1.3
56.84369	1.5
59.01359	2.7
61.98822	4.0
69.03450	1.7
69.88281	6.7
71.01380	4.1
74.84584	1.3
75.00885	1.8
81.03427	1.8
83.05024	2.4
85.02964	1.5
87.00883	2.5
93.03455	22.9
107.01384	5.4
109.72507	1.3
111.04527	10.8
113.02445	2.0
123.00883	4.4
124.01632	1.5
125.02444	58.6
126.02682	2.0
137.02443	53.0
151.00351	2.5
155.03471	15.3
167.07108	1.8
168.00641	1.5
169.01421	100.0
170.01700	3.6
173.04521	26.3
185.85825	1.5
191.05525	3.3
211.02478	1.6
273.21875	1.5
311.07581	6.7
325.05536	20.4
326.05884	1.9
331.06604	1.9
343.06870	3.5
375.09415	9.9
463.08801	79.9
464.09100	7.7
526.12793	2.8
527.10181	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33612	3.1
59.01376	7.4
61.98825	10.2
63.57899	3.2
68.27259	3.2
69.21149	34.0
71.01389	4.9
85.02964	3.7
88.58497	4.1
96.96014	7.7
107.01399	13.5
111.00873	4.1
123.00851	12.6
125.02446	30.4
126.02754	11.2
129.66196	3.4
136.98721	3.9
137.09586	4.0
139.00339	6.7
140.01065	4.4
151.00368	18.7
168.00664	5.7
169.01428	35.8
170.01752	14.8
243.02921	7.2
255.02933	17.8
259.02621	4.7
271.02429	37.2
272.02667	3.9
300.02707	67.1
301.03430	35.2
316.02374	17.1
362.79254	4.3
373.11346	18.1
374.11667	36.8
375.11829	5.9
463.08771	96.0
464.08987	9.7
526.12799	100.0
526.19519	4.0
527.12415	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	525.1974
Annotation	Eucalmaidin C
Peak:m/z	Relative Intensity
52.49093	0.4
55.86974	0.5
57.03436	0.5
59.01381	3.3
67.01886	0.7
69.03452	1.0
71.01393	3.8
72.99327	0.6
73.02941	1.3
75.00888	0.7
79.01881	1.2
79.20634	0.5
83.01380	1.0
85.02953	2.1
87.00877	1.0
89.02419	0.8
95.01395	1.8
96.95994	1.2
97.02927	0.6
99.00871	0.5
101.02438	2.1
107.01382	3.4
109.02926	0.6
110.00076	0.8
111.00896	2.6
113.02454	2.3
122.65647	0.5
123.00886	13.9
123.04496	0.7
124.01653	1.7
125.02451	21.2
126.02781	0.8
127.00370	0.9
136.98817	1.1
137.02451	1.5
139.00374	6.1
140.01169	2.9
141.01912	1.0
149.02403	1.2
150.03207	2.2
151.00348	9.0
151.04002	1.1
153.01894	0.8
163.04012	1.0
165.05583	1.5
167.03485	2.9
168.00638	4.3
169.01422	24.4
170.01747	1.2
170.89027	0.5
177.01889	1.0
179.03494	0.6
193.84137	0.5
211.02478	4.7
211.13377	2.6
213.03067	0.7
229.50966	0.7
271.04584	7.5
272.04819	1.0
273.05063	0.7
311.07608	2.5
313.05682	1.8
348.96466	0.5
373.11075	1.2
373.18845	0.9
407.26282	0.6
455.89914	0.5
477.14014	2.3
481.20667	7.3
482.22000	0.8
507.18719	0.8
525.19861	100.0
526.20117	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	525.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.2
58.31058	1.8
59.01374	14.1
61.98829	2.9
63.13708	2.0
69.40916	7.5
69.41341	8.3
71.01391	10.3
73.02951	10.9
73.69622	2.1
75.00873	3.8
82.02955	3.1
83.11372	1.8
85.02953	9.1
87.00869	2.1
89.02449	4.9
93.03460	2.3
95.01397	4.7
96.95991	4.6
97.02995	3.0
99.00903	2.1
101.02438	4.9
107.01386	5.5
109.02952	3.1
111.04551	2.5
113.02470	6.2
121.02963	9.0
122.03729	8.4
123.00874	7.5
123.04533	2.5
124.01654	3.2
125.02445	63.1
125.45113	2.6
126.02780	5.6
131.24995	1.8
134.03755	28.5
135.04524	9.4
136.01579	2.1
137.02464	6.9
139.00357	2.5
139.04033	2.4
142.98827	2.0
146.03743	18.5
149.00592	2.4
149.02530	2.7
149.06079	41.6
150.03215	6.5
151.00386	6.6
151.04034	5.4
153.01929	2.3
155.03384	2.6
158.80486	2.2
161.06068	11.2
163.03918	2.2
164.04788	13.8
165.05580	32.4
166.06378	13.2
167.03456	6.7
167.07132	100.0
168.00635	3.7
169.01421	69.8
170.01779	5.6
171.01923	2.3
173.04527	5.6
175.04042	3.0
177.01942	6.4
177.05557	3.6
179.03627	2.1
179.07126	57.3
180.07462	2.9
195.06940	2.4
201.11346	1.8
211.02426	4.3
221.08182	9.2
239.09155	2.6
243.02937	9.7
244.03342	3.0
245.03889	1.9
249.02309	2.1
271.04660	2.9
291.09515	2.3
313.05356	4.2
315.12390	30.9
327.12363	6.0
329.12512	2.3
345.13388	7.0
348.32480	2.3
363.14432	8.8
377.18256	5.0
489.10077	3.8
495.60181	2.5
507.11606	4.7
525.15961	28.1
525.22052	13.1
526.15552	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	525.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58053	3.9
57.03443	5.3
59.01371	11.8
59.40623	3.8
71.01373	12.1
71.55573	6.5
72.99317	5.9
74.22956	3.9
75.00883	7.3
83.01381	4.9
85.02961	12.8
95.01374	6.0
95.30215	3.7
99.96518	4.2
101.02453	4.7
107.01389	13.6
109.02938	4.8
113.02439	14.6
123.00883	9.0
125.02447	92.8
134.03743	22.1
135.04628	4.5
136.01697	8.8
139.00380	6.7
149.06046	9.8
151.00354	5.3
151.04060	11.1
167.03464	5.8
167.07149	4.6
169.01425	100.0
170.01755	5.4
177.01935	6.4
182.94717	4.4
183.02922	5.5
193.05084	7.1
211.02504	7.3
313.05676	38.1
314.05460	4.6
463.12433	7.7
465.10254	18.9
507.11429	33.6
525.12402	72.6
525.21796	38.5
526.12854	8.3
533.37585	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	525.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65683	0.5
54.49888	0.5
59.01092	0.4
59.01369	2.0
60.28415	0.4
65.00314	0.8
67.01861	0.6
69.03450	1.3
70.85474	0.8
70.85799	0.6
71.01373	2.1
72.99312	0.8
73.02957	0.7
79.09647	0.5
81.03452	0.6
83.01379	1.4
85.02931	1.4
94.17321	0.4
95.01385	1.9
97.02954	1.3
97.95621	0.4
101.02431	1.6
107.01383	14.1
109.02962	0.5
110.00098	0.4
111.00885	3.2
119.05080	0.4
122.66901	0.5
123.00887	11.3
124.01649	3.6
125.02444	38.5
126.02753	0.7
127.00329	1.6
136.98796	2.1
137.02452	0.7
139.00359	6.5
140.01164	4.6
141.01952	1.3
151.00365	9.3
153.01904	0.9
154.99875	0.6
168.00644	6.4
169.01414	40.4
170.01738	1.1
181.05110	0.8
209.04358	0.7
211.02376	0.6
218.45905	0.5
251.66202	0.5
271.02414	2.6
281.95114	0.5
284.07034	0.5
300.02664	0.7
301.03629	1.1
313.05643	1.4
316.02246	2.6
343.24283	0.5
355.09903	1.0
373.11359	52.0
374.11688	2.7
463.08789	4.5
525.12445	100.0
526.12891	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	46.7
61.98789	4.8
63.67192	4.5
70.11878	8.8
70.12256	7.9
71.01374	6.8
85.02947	7.7
87.00857	5.4
97.04045	4.3
97.65413	5.0
98.20560	5.7
107.01363	12.3
109.02937	8.8
113.02399	8.3
123.00867	13.7
125.02435	82.2
134.03703	12.8
134.06108	6.6
136.01620	10.5
137.02441	8.2
139.00380	6.8
140.86812	5.0
145.94174	4.2
149.02316	6.3
149.06094	6.1
151.00401	7.4
151.03996	8.7
161.02321	5.9
164.01141	5.4
167.03439	11.0
168.00673	5.4
168.28375	5.0
168.99986	7.1
169.01414	100.0
175.06100	9.1
177.01891	9.5
178.02519	5.0
180.06761	6.0
192.68327	4.8
210.05185	11.3
211.02406	8.7
266.95108	4.8
271.04642	8.2
305.06213	5.2
313.05588	41.1
324.84506	5.8
333.12064	31.2
391.12543	27.0
465.10248	20.9
495.11823	5.1
507.11356	26.5
525.12439	61.3
526.13104	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	525.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.7
60.99307	13.5
61.98836	1.6
69.30877	0.4
70.82136	0.5
70.82455	0.8
71.01389	0.9
73.02946	0.4
74.33762	0.4
85.02967	0.9
88.98806	100.0
89.99123	1.1
95.01378	0.5
107.01374	0.9
113.02425	0.6
123.00939	0.6
123.04585	0.7
125.02434	5.6
134.03740	1.4
149.06001	0.6
151.00333	0.9
155.03552	0.6
167.03474	0.8
169.01427	8.4
173.04597	0.8
190.86884	0.4
199.13362	0.7
273.07751	1.4
313.05786	0.5
351.22003	0.8
463.12485	4.6
524.22046	0.6
525.13013	0.7
525.19910	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	525.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86766	1.1
54.10115	1.0
59.01376	3.5
59.94487	1.0
67.01897	1.3
71.01371	4.8
74.71813	1.1
75.00865	1.4
81.37187	0.9
85.02943	2.6
87.00824	1.0
88.48458	1.0
89.61388	1.0
89.90184	1.0
91.42259	1.0
91.42846	1.0
92.39503	1.3
95.01373	2.1
97.02943	1.4
98.19891	3.1
101.02407	1.2
107.01391	11.0
108.02190	1.5
109.02922	3.7
111.00875	1.3
113.02452	2.7
119.92638	1.0
121.02911	1.2
123.00886	11.8
123.04475	1.9
124.01664	3.6
125.02451	80.1
126.02777	3.4
127.00321	1.2
134.03705	1.1
136.01665	4.6
137.02454	3.1
139.00360	3.1
139.03990	1.7
140.01120	2.1
141.01987	1.4
148.01674	10.0
149.02385	2.2
149.06042	3.0
150.03250	2.9
151.00397	8.0
151.04053	5.5
152.01022	1.3
153.01947	1.4
153.05574	13.1
163.04019	16.7
165.01907	2.0
165.05527	3.4
166.02702	7.6
167.03525	7.2
167.07092	2.6
168.00653	2.7
169.01431	100.0
170.01723	4.5
172.47150	1.2
175.92909	1.3
177.01868	4.5
178.02736	8.8
179.03461	3.3
179.07080	1.9
181.05072	23.1
193.01372	2.0
193.05058	12.2
194.05229	1.2
195.06651	2.7
202.81552	1.2
211.02455	2.8
211.06131	8.3
241.03371	2.5
253.02808	1.3
271.04565	3.8
275.09293	1.6
313.05658	73.6
314.05899	3.3
319.08163	1.8
363.06961	1.9
465.10474	18.8
466.10529	3.0
495.11423	23.6
496.11475	2.5
507.11441	50.9
508.11783	7.0
525.12317	22.2
525.21124	2.1
526.12769	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87450	0.9
57.03418	1.0
58.82018	0.8
59.01377	3.4
67.01892	1.3
67.74046	1.2
69.32029	3.0
69.32446	4.3
71.01385	5.8
79.01874	1.4
81.03440	1.2
83.01364	1.6
85.02956	3.2
95.01376	2.4
96.96030	1.3
97.02968	1.1
98.19808	1.8
101.02415	1.7
107.01387	9.2
108.02113	1.2
108.92675	1.0
109.02956	1.6
111.00884	1.2
113.02447	2.4
123.00894	10.8
123.04578	1.2
124.01673	3.1
125.02445	70.3
126.02778	1.8
134.03738	23.2
135.04510	2.2
136.01669	14.3
136.98814	1.5
137.02467	5.6
138.03242	1.2
139.00404	4.9
139.04015	2.2
140.01115	2.7
141.01997	1.6
149.02441	1.1
149.06078	12.0
150.03206	1.2
151.00388	11.4
151.03993	14.6
153.01903	1.4
153.05612	1.3
163.04008	2.1
164.90547	1.1
165.01961	1.6
165.05482	1.0
166.02592	1.8
167.03496	2.5
167.07172	2.2
168.00604	4.4
169.01422	100.0
170.01729	2.7
177.01906	2.7
178.02704	3.1
179.03448	2.4
181.05026	3.0
183.02975	0.8
193.01495	0.8
193.05064	7.1
195.03078	1.2
208.52136	1.0
211.02486	3.3
240.59654	0.9
241.03505	2.8
271.04611	2.1
313.05640	49.0
314.06039	3.3
324.21597	0.9
329.08646	1.2
407.13614	1.1
463.12570	5.4
465.10376	29.8
466.10785	2.5
495.11603	3.1
507.11417	32.1
507.19070	1.6
508.11694	3.2
525.12482	92.4
526.12817	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	525.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48517	0.4
55.69537	0.4
59.01380	1.8
59.65232	0.4
61.98815	0.6
65.00327	0.6
67.01886	1.1
69.03436	1.1
71.01390	2.6
72.99300	0.6
79.01889	1.3
81.03456	0.4
82.00600	0.5
83.01396	1.0
85.02940	1.0
86.76217	0.5
87.00877	0.5
95.01388	1.9
97.02947	1.3
99.00874	0.6
101.02434	2.0
107.01390	12.3
111.00874	3.3
113.02443	0.8
123.00881	10.7
124.01689	3.7
125.02451	38.7
126.02803	0.5
127.00391	1.1
136.98792	1.6
139.00385	6.2
140.01141	5.4
141.01939	1.3
151.00372	11.1
168.00626	6.6
169.01427	41.4
170.01802	1.3
179.03456	0.5
211.02509	0.7
220.80156	0.5
253.03471	0.5
271.02441	0.8
287.02264	0.5
300.02643	1.1
301.03427	0.9
311.71088	0.5
313.05658	1.7
316.02225	0.7
355.10242	0.8
373.11392	51.8
374.11746	3.5
397.51450	0.5
463.08899	3.6
525.12469	100.0
526.12781	8.2
526.20129	0.8
550.67230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.2
59.57286	2.0
60.08105	1.9
70.72168	4.5
70.72540	4.1
71.01379	2.4
71.05022	3.7
77.47343	2.4
79.27907	2.0
83.01392	2.3
86.84022	2.2
86.84530	2.2
88.02879	2.2
88.04039	35.2
89.02470	2.3
93.03429	2.6
95.05026	2.1
97.02951	3.1
109.02944	8.9
111.04486	3.6
124.01625	2.7
125.02439	66.9
135.04646	2.3
137.02446	20.8
139.04012	12.5
145.21051	1.9
146.08258	15.2
149.02437	2.1
151.04070	3.6
161.02454	3.5
165.01923	13.4
167.03522	12.1
169.01440	7.7
177.01947	2.9
177.05655	2.9
178.02574	2.1
179.03465	12.5
203.03488	3.2
218.10303	43.6
219.06522	10.1
221.04483	5.2
221.32118	2.6
261.07663	3.7
304.19455	2.4
305.06647	100.0
306.06961	6.2
310.13507	2.7
324.69574	2.4
355.06418	2.8
400.91501	2.4
496.54544	2.3
525.12646	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	523.312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53156	0.5
55.01878	4.7
57.03456	5.0
58.00584	1.1
59.01104	1.0
59.01379	16.2
61.98820	2.9
65.22971	0.6
66.85645	0.6
67.01894	1.1
69.03442	1.9
69.61072	4.0
71.00996	1.3
71.01380	19.3
72.99297	1.6
73.02946	6.7
73.58351	0.6
75.00869	5.6
79.01894	0.8
79.06869	0.6
81.03472	4.4
83.01392	4.9
85.02951	13.5
87.00877	2.4
87.04509	1.4
89.02434	2.5
95.01373	3.7
96.95985	1.1
97.02947	1.9
97.06601	0.8
97.56504	0.6
99.00866	2.1
99.08141	0.9
101.02442	14.6
101.06046	1.1
107.01392	7.4
109.02927	0.9
111.00883	5.7
113.02473	6.7
119.03489	0.7
121.02981	1.6
123.00897	11.3
123.08145	4.1
124.01673	1.5
125.02450	45.5
125.06079	5.4
125.09734	0.6
126.02796	1.1
127.00285	0.8
129.01950	2.2
136.59650	0.7
136.98820	1.3
137.02406	1.7
138.06947	0.6
139.00383	5.3
139.04033	1.0
140.01236	3.3
141.01936	1.5
141.09167	1.3
141.12848	1.1
147.03043	3.1
149.02551	0.9
150.01665	0.7
151.00366	9.4
153.01884	1.0
153.09200	1.0
157.12323	2.1
159.02977	1.1
161.04530	1.0
163.45378	0.7
165.09209	15.6
166.09576	0.8
167.03601	0.9
168.00648	5.6
169.01424	51.9
169.12318	1.1
170.01750	2.2
171.13948	1.4
179.03468	1.0
185.11818	2.7
187.13466	1.0
191.07118	1.2
201.14966	1.0
209.08182	35.7
210.08485	1.4
211.02478	13.8
212.02853	0.7
215.12799	1.0
233.08287	0.9
241.03485	1.8
255.56158	0.6
271.04590	15.2
311.22247	0.8
313.05615	22.5
314.06076	1.5
327.21744	0.9
327.25259	0.7
329.23325	3.7
339.25439	0.9
340.30557	0.7
357.26520	3.7
359.28156	1.3
361.29596	9.4
373.25827	5.2
374.26227	2.6
375.27463	100.0
376.27823	7.8
439.08783	3.7
466.18756	0.7
523.14526	50.1
523.21906	68.1
523.34668	43.9
524.14819	5.9
524.22198	8.5
524.36237	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	523.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59799	1.3
59.01385	2.9
61.98825	2.2
69.20172	14.0
78.95905	33.3
89.65808	1.2
96.96957	2.3
110.46696	1.4
113.09720	3.4
125.02434	2.0
148.09358	1.3
150.97957	1.6
152.99596	46.1
171.00569	3.0
179.14389	2.0
195.13896	24.0
211.57784	1.4
227.03181	4.7
245.04214	2.1
277.21695	18.9
295.22766	100.0
296.23102	6.1
431.22278	1.9
523.26721	99.2
524.26953	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	523.312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53156	0.5
55.01878	4.7
57.03456	5.0
58.00584	1.1
59.01104	1.0
59.01379	16.2
61.98820	2.9
65.22971	0.6
66.85645	0.6
67.01894	1.1
69.03442	1.9
69.61072	4.0
71.00996	1.3
71.01380	19.3
72.99297	1.6
73.02946	6.7
73.58351	0.6
75.00869	5.6
79.01894	0.8
79.06869	0.6
81.03472	4.4
83.01392	4.9
85.02951	13.5
87.00877	2.4
87.04509	1.4
89.02434	2.5
95.01373	3.7
96.95985	1.1
97.02947	1.9
97.06601	0.8
97.56504	0.6
99.00866	2.1
99.08141	0.9
101.02442	14.6
101.06046	1.1
107.01392	7.4
109.02927	0.9
111.00883	5.7
113.02473	6.7
119.03489	0.7
121.02981	1.6
123.00897	11.3
123.08145	4.1
124.01673	1.5
125.02450	45.5
125.06079	5.4
125.09734	0.6
126.02796	1.1
127.00285	0.8
129.01950	2.2
136.59650	0.7
136.98820	1.3
137.02406	1.7
138.06947	0.6
139.00383	5.3
139.04033	1.0
140.01236	3.3
141.01936	1.5
141.09167	1.3
141.12848	1.1
147.03043	3.1
149.02551	0.9
150.01665	0.7
151.00366	9.4
153.01884	1.0
153.09200	1.0
157.12323	2.1
159.02977	1.1
161.04530	1.0
163.45378	0.7
165.09209	15.6
166.09576	0.8
167.03601	0.9
168.00648	5.6
169.01424	51.9
169.12318	1.1
170.01750	2.2
171.13948	1.4
179.03468	1.0
185.11818	2.7
187.13466	1.0
191.07118	1.2
201.14966	1.0
209.08182	35.7
210.08485	1.4
211.02478	13.8
212.02853	0.7
215.12799	1.0
233.08287	0.9
241.03485	1.8
255.56158	0.6
271.04590	15.2
311.22247	0.8
313.05615	22.5
314.06076	1.5
327.21744	0.9
327.25259	0.7
329.23325	3.7
339.25439	0.9
340.30557	0.7
357.26520	3.7
359.28156	1.3
361.29596	9.4
373.25827	5.2
374.26227	2.6
375.27463	100.0
376.27823	7.8
439.08783	3.7
466.18756	0.7
523.14526	50.1
523.21906	68.1
523.34668	43.9
524.14819	5.9
524.22198	8.5
524.36237	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	523.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44709	0.3
55.01872	0.4
57.03439	0.7
58.00606	0.4
59.01099	0.5
59.01377	5.5
59.52449	0.4
61.98828	3.2
65.00338	0.3
65.18018	0.3
67.01894	1.3
68.99828	0.4
69.70275	0.8
69.70686	1.4
71.01389	4.5
72.99315	0.9
73.02945	0.7
75.00851	0.7
79.01886	1.2
83.01379	0.9
85.02951	1.7
87.00877	0.9
89.02467	1.8
95.01376	1.9
97.02953	0.4
99.00864	0.5
101.02445	1.5
107.01379	4.0
109.02979	0.5
110.00139	0.4
111.00884	2.3
111.08071	0.4
113.02445	1.3
119.03497	0.3
123.00891	12.2
123.04523	0.7
124.01705	1.7
125.02449	17.8
126.02764	0.6
127.00422	0.7
132.36801	0.3
136.98808	1.2
137.02515	0.4
139.00380	4.6
139.03973	0.4
140.01166	2.9
140.64803	0.3
141.01932	1.0
141.10912	0.4
142.99167	0.4
145.02951	0.4
150.99181	0.5
151.00374	8.4
152.00922	0.4
153.01956	1.0
163.04013	0.5
167.03481	0.8
167.99362	0.6
168.00648	5.8
169.01422	25.7
170.01768	1.0
180.15242	0.4
185.11798	0.4
205.04868	0.4
211.02477	17.0
212.02809	0.7
241.03531	1.0
271.04596	18.3
272.04984	1.1
302.22815	0.3
311.22638	0.4
313.05603	0.9
375.27505	8.9
391.26962	0.4
413.80594	0.3
458.24982	0.4
498.27911	0.4
523.21857	100.0
524.22150	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	523.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19107	0.7
56.26640	0.7
59.01381	9.0
61.98826	3.4
67.01887	0.9
71.01389	5.1
71.53857	1.2
72.03802	0.7
72.99298	1.0
79.01888	0.9
81.03441	1.0
83.01385	0.7
85.02956	2.0
89.02445	1.9
95.01351	1.2
96.96015	1.3
97.02959	1.0
101.02440	2.2
107.01375	5.4
111.00885	2.8
113.02455	1.6
123.00887	11.0
123.04465	0.8
124.01651	2.1
125.02453	31.6
127.00374	1.4
136.98766	1.9
137.02452	1.8
139.00375	4.5
140.01160	4.3
149.02405	1.2
151.00395	4.8
165.01920	1.1
165.09253	1.6
167.03485	2.2
168.00665	9.3
169.01427	46.7
170.01781	1.4
172.92056	0.7
183.02962	0.6
193.01437	3.7
209.08150	5.2
211.02478	42.1
212.02855	2.1
241.03511	1.7
266.83789	0.9
271.04596	55.1
272.04922	2.0
313.05563	2.7
331.06613	3.0
437.42081	0.8
520.78680	0.8
523.15228	3.7
523.21796	100.0
524.15131	1.0
524.22125	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	523.2181
Annotation	Mascaroside
Peak:m/z	Relative Intensity
51.19569	0.5
57.03436	1.1
59.01376	8.2
61.98832	2.6
64.29474	0.5
67.01881	1.2
69.63719	1.2
69.64125	2.1
71.01380	4.3
72.99325	1.0
73.02956	0.6
75.63604	0.5
79.01907	1.0
83.01365	1.3
85.02929	1.5
87.00884	0.8
89.02452	2.0
95.01400	2.5
96.95998	1.1
97.02950	0.7
101.02427	2.6
107.01405	5.8
111.00919	3.0
113.02420	1.2
119.03421	0.7
123.00896	15.2
124.01714	0.5
125.02455	29.0
126.02740	1.1
127.00396	1.2
136.98811	1.5
137.02486	0.8
139.00374	5.7
140.00438	0.4
140.01187	4.7
141.01900	1.2
145.82671	0.5
149.62733	0.5
151.00374	10.8
161.02460	1.3
163.03944	0.7
167.03500	1.1
168.00635	4.9
169.01424	40.0
170.01746	0.7
179.03496	0.9
181.05026	0.8
185.06140	0.5
193.01341	0.5
207.26884	0.5
211.02492	6.7
253.03506	0.6
271.04645	4.4
313.05591	2.5
317.03036	0.9
331.06784	0.7
463.24109	0.6
523.21814	100.0
524.22162	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	523.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07613	0.4
57.03436	0.4
59.01379	6.5
60.25050	0.4
61.10505	0.5
61.98837	2.2
67.01879	1.0
69.03432	0.5
71.01382	4.0
72.99281	0.8
73.02935	0.5
79.01886	1.1
83.01375	0.8
85.02948	2.1
87.00897	0.5
87.06680	0.4
88.18708	0.4
89.02442	2.0
95.01382	1.7
96.95990	0.4
97.02921	0.7
99.00913	0.5
101.02431	2.2
107.01379	4.5
109.02937	0.4
111.00900	1.8
113.02444	1.3
119.03533	0.4
123.00884	12.1
124.01625	1.8
125.02448	16.9
126.02769	0.5
127.00378	0.6
136.98810	1.4
137.02373	0.7
139.00365	5.9
140.01169	3.5
141.01964	1.9
151.00349	8.9
153.01973	0.5
167.03490	1.0
168.00626	4.8
169.01419	25.7
175.76649	0.4
177.01845	0.4
178.06070	0.4
201.44954	0.4
211.00409	0.8
211.02470	17.4
212.02855	0.8
241.03403	0.5
252.93510	0.4
268.39240	0.4
271.04578	17.5
272.04868	1.1
273.05176	0.5
313.05716	0.9
313.41452	0.4
375.27463	8.0
376.28104	0.6
523.21844	100.0
524.22229	10.2
524.30450	0.6
531.01617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1768
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
61.98821	2.6
63.13567	2.1
67.26691	1.8
69.95131	5.1
69.95547	5.8
77.72282	2.5
78.95902	67.5
98.20609	2.4
99.92586	16.8
110.98546	10.8
115.92070	24.6
116.92867	17.7
117.92831	2.0
152.77835	1.9
155.95227	2.5
163.89819	2.4
164.99506	2.1
178.88419	11.4
179.89232	34.5
180.89963	7.0
193.90762	42.1
194.91568	21.4
196.89505	38.7
197.89534	2.8
217.75079	1.8
219.92235	2.8
236.92622	2.2
248.92566	3.2
249.93439	3.3
255.23273	4.2
266.93680	3.1
295.26569	2.1
371.15295	3.2
411.18420	4.6
451.25519	2.1
483.64996	2.4
523.17688	100.0
524.18109	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	523.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.9
58.00565	1.2
59.01103	1.4
59.01376	16.4
65.32066	0.8
69.66172	5.8
71.01374	8.5
72.99268	1.4
73.02959	2.0
83.01373	1.0
83.36066	0.9
85.02936	1.9
87.00880	1.2
89.02434	9.1
95.01349	1.6
98.20619	1.5
101.02457	6.6
107.01394	4.5
111.00848	2.6
113.02478	4.6
119.03474	3.0
123.00849	3.6
124.01634	2.5
125.02436	35.3
126.02782	1.1
136.98787	1.6
137.02457	1.0
139.00360	3.9
139.11252	1.6
140.01117	4.4
151.00314	1.1
167.03488	2.5
168.00630	19.3
169.01418	49.5
170.01761	1.5
177.01949	1.1
181.01419	1.2
183.02840	1.2
211.02470	82.5
212.02771	1.5
241.03470	1.1
243.12267	3.8
255.47137	1.0
271.04565	79.6
272.04834	3.6
313.05573	1.1
321.15909	1.0
331.06665	4.1
371.13382	33.7
372.13824	1.3
424.65576	1.1
455.42142	1.1
523.14459	100.0
523.27411	2.4
524.15015	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	523.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88534	2.1
57.03437	4.5
59.01378	25.4
60.01708	2.3
61.98835	15.0
65.00349	2.2
69.23227	10.6
69.23661	11.1
71.01387	14.0
72.99327	2.7
73.02965	2.6
80.61772	2.3
81.03454	8.0
83.01391	5.8
85.02944	6.9
86.19606	2.0
87.00885	3.0
89.02444	2.6
95.01389	3.9
96.96023	10.5
101.02434	8.4
105.19519	2.0
107.01367	3.6
111.00875	3.3
113.02450	4.7
121.02944	2.9
123.00882	6.1
123.04610	2.2
125.02451	57.0
125.06083	4.4
132.54141	2.2
136.98807	2.4
139.00366	4.2
140.01105	4.3
149.02470	3.4
151.00348	6.7
151.04024	2.3
161.02441	3.5
165.01996	3.6
165.09212	33.5
167.03474	7.5
168.00641	6.2
169.01419	54.2
170.01776	2.6
177.01912	3.5
191.07126	2.5
209.08192	71.1
211.02470	9.2
212.02806	2.8
233.08174	7.2
271.04639	12.5
272.04874	8.0
313.05630	14.7
325.05737	2.6
342.27405	2.7
359.27902	2.8
360.28146	11.7
439.08813	2.9
522.33673	65.3
523.14539	100.0
523.21918	14.3
523.33307	29.8
524.14795	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	523.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03447	2.0
59.01379	12.8
67.01884	1.2
69.03458	1.8
71.01376	5.5
71.55498	1.9
72.99319	1.3
73.02935	3.4
75.00858	1.7
81.03432	2.4
83.05022	2.3
85.02945	3.4
87.00882	2.9
88.98801	1.6
89.02436	3.3
93.03459	9.6
95.01389	1.8
96.95988	1.2
97.02961	1.2
101.02438	4.0
107.01360	4.1
109.02938	1.8
111.00861	1.4
111.04511	9.2
113.02439	3.3
113.11959	1.0
121.02941	2.3
121.28931	1.0
124.01659	1.6
125.02448	60.6
126.02760	1.7
127.03991	1.7
129.01881	1.3
137.02451	9.3
139.00374	1.4
140.01167	1.7
151.00339	1.1
153.09222	19.9
155.03499	17.5
165.05522	3.4
167.03450	1.9
168.00597	1.5
169.01422	100.0
170.01703	2.4
171.10124	1.4
173.04543	28.5
177.01874	3.4
191.05562	4.5
193.01625	1.3
197.08130	7.1
201.11316	2.0
211.02429	1.6
225.14944	2.8
226.15332	1.7
227.15448	1.8
227.99509	1.1
249.56325	1.1
267.45142	1.2
271.04568	1.5
290.02451	1.1
307.04807	1.2
309.13522	1.9
325.05539	13.4
327.14508	3.2
343.06631	11.7
349.08786	1.3
353.12347	3.3
361.16565	6.9
367.70868	1.0
371.13544	8.5
391.26996	2.8
409.93665	1.1
448.07333	1.4
460.18835	2.1
479.15503	10.0
487.91000	1.3
505.13510	2.1
523.14520	41.8
523.22595	8.8
524.14825	4.6
524.24438	1.3
528.26849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	2.7
59.01371	5.3
60.99302	9.1
61.98833	2.4
67.45583	1.2
69.03458	2.1
71.01370	5.7
71.52091	2.3
73.02905	1.8
83.01404	2.0
85.02946	4.1
87.00908	6.7
88.98804	72.0
89.02412	1.9
93.03477	1.6
95.01353	2.2
96.96008	1.7
101.02451	1.8
102.50617	1.1
107.01373	4.5
109.02988	2.2
111.00876	19.3
113.02446	2.1
115.00353	4.9
120.72169	1.3
121.02962	1.9
123.00883	10.4
124.01644	1.9
124.76486	1.2
125.02446	44.2
133.01414	3.8
135.04536	1.7
137.02422	3.5
139.00349	4.5
139.03978	3.3
140.01129	2.0
151.00398	7.9
151.03947	2.8
155.03461	1.5
165.05547	1.6
167.03448	3.8
168.00662	1.9
169.01427	50.3
170.01753	2.4
173.04510	2.8
175.02448	4.9
177.01926	4.6
191.01991	11.1
193.01331	2.0
197.04448	1.5
202.25018	1.4
227.03902	1.3
241.07568	1.2
243.03024	1.7
271.04636	2.9
289.07251	1.6
313.05563	2.8
325.05579	2.7
371.06039	1.4
433.13495	100.0
434.14026	6.7
485.09109	6.0
493.75269	1.4
516.03040	1.5
523.14636	5.2
524.14886	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	522.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37698	1.4
55.01862	1.6
55.73827	1.3
55.82912	1.4
56.77864	1.3
57.03432	1.5
59.01381	20.9
61.92414	1.4
61.98831	13.2
71.01390	13.2
73.02939	4.4
75.00873	2.9
83.01388	3.2
85.02950	6.0
87.00858	2.1
88.98801	1.5
89.02441	4.1
89.70459	1.6
93.03445	2.3
95.22450	1.4
96.96005	3.4
99.00884	1.6
101.02425	4.4
104.84650	1.4
107.01372	3.4
109.02940	1.6
113.02464	5.2
117.03418	2.5
121.02946	2.5
122.03744	1.7
123.00899	15.1
124.01633	1.6
125.02455	20.2
135.04495	11.0
136.04793	2.8
137.02437	2.2
139.00348	4.8
140.01122	3.2
145.02943	12.2
146.03281	4.7
147.04512	2.6
149.02367	2.1
150.03207	2.5
151.00392	10.2
153.01872	2.1
161.02435	2.6
165.05585	4.9
168.00652	4.5
169.01431	27.9
173.04506	1.9
179.03494	9.8
180.03882	6.3
225.14885	2.3
226.15367	2.7
233.04562	3.1
307.08014	3.0
308.08789	1.8
330.16415	2.5
361.16656	13.0
372.15326	1.9
389.16068	3.5
390.16406	10.8
391.27045	1.7
459.13184	3.9
459.18707	100.0
460.19138	9.1
474.14655	5.3
516.64813	1.9
522.20892	12.1
523.14233	4.9
523.21808	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	521.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01795	0.7
56.39162	0.3
57.03344	1.4
59.01276	10.8
59.01614	2.5
61.27547	0.3
61.98724	1.3
62.28611	0.3
67.01785	0.5
67.49948	0.3
68.99733	0.3
69.03368	0.7
70.07955	1.1
70.08312	0.4
71.01270	7.8
71.01707	1.0
72.99194	1.2
73.02834	1.7
75.00794	0.3
79.01837	0.4
83.01275	1.6
85.02834	3.7
85.03401	0.7
87.00752	1.0
89.02326	3.0
95.01263	1.6
96.95934	0.6
97.02886	0.7
98.19967	0.4
99.00762	0.9
101.02433	5.4
105.03397	0.3
106.11183	0.3
107.01385	2.3
109.02834	0.5
111.00870	1.7
113.02439	3.1
119.03404	0.9
121.02837	0.4
123.00885	3.5
124.01563	1.2
125.02441	18.3
126.02706	0.3
127.00255	0.6
129.13393	0.3
136.98735	0.7
137.02307	0.8
139.00381	1.8
140.01151	1.8
141.01843	0.4
151.00409	1.6
159.51393	0.3
161.02429	1.5
163.00304	0.3
164.92737	0.3
165.01797	0.4
167.03400	1.0
168.00632	5.7
169.01418	21.5
170.01605	0.9
183.02893	0.3
209.08072	1.0
211.02472	29.2
212.02792	1.4
233.11769	0.7
241.03499	1.1
252.30403	0.3
269.04477	0.4
271.04568	46.0
272.04858	2.3
287.05621	0.7
311.22437	0.4
313.23825	3.1
331.06653	5.0
332.07172	0.3
341.26926	3.7
357.26553	0.7
359.27985	18.5
360.28467	1.6
369.06509	0.4
489.07764	0.4
503.32074	1.9
521.20825	29.1
521.33221	100.0
522.21210	3.8
522.33557	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	521.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.5
57.03444	3.4
58.00616	1.8
59.01381	17.4
61.98834	1.1
68.99816	0.8
69.03477	1.4
71.01381	27.5
72.01759	0.6
72.62964	0.5
72.99319	1.9
73.02945	10.2
75.00870	2.5
75.05618	0.5
83.01388	6.2
85.02946	15.8
86.00122	1.2
87.00887	2.5
87.04530	0.9
89.02443	4.4
95.01383	2.6
96.96043	1.1
97.02959	1.0
97.06578	1.2
99.00893	4.4
101.02443	25.5
101.10718	0.5
107.01412	1.4
109.02978	0.7
111.00890	6.6
113.02450	11.0
119.03502	1.1
121.10226	2.6
123.00893	2.4
123.08202	1.1
124.01735	0.8
125.02454	10.9
125.03297	0.8
125.09799	1.0
127.11288	0.7
129.02014	1.5
136.98831	1.2
137.02551	0.6
137.09760	0.7
139.00415	1.9
139.11362	1.2
140.01196	2.0
141.01967	1.1
141.12895	1.7
143.03577	0.7
145.02975	0.6
147.03065	1.6
151.00423	1.4
155.10838	1.2
157.12457	1.6
159.01866	0.4
159.03026	3.2
161.04584	4.7
165.04242	0.6
167.03548	0.6
168.00702	3.4
169.01414	14.8
169.12386	0.7
170.01857	0.6
171.10243	0.8
171.13963	2.3
177.02025	0.6
179.05727	0.8
183.13947	0.7
185.11836	3.8
187.13438	3.5
188.13803	0.6
199.13530	1.5
201.14954	9.5
201.16724	0.7
209.10127	0.5
211.02434	4.6
215.12894	2.7
249.45596	0.5
271.04581	6.2
271.07098	0.6
281.81000	0.5
297.05609	0.5
313.24127	1.2
343.24945	2.2
349.18906	0.6
355.03391	0.5
355.25070	1.6
357.26752	0.7
359.07855	0.6
359.15134	1.0
359.27994	18.0
360.28635	1.5
363.20276	3.8
371.24603	1.9
372.24902	0.9
373.25900	49.9
374.26303	4.0
375.27737	1.0
393.59384	0.5
491.32611	1.0
503.32455	1.3
521.21954	23.3
521.33636	100.0
522.21869	3.6
522.33923	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	521.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33909	0.5
55.01865	0.7
57.03434	1.3
58.00577	0.7
59.01379	23.7
61.98823	3.6
69.16723	4.9
71.01382	11.8
72.99300	1.6
73.02929	2.5
78.95888	1.0
81.03474	0.8
83.01394	1.5
84.98042	0.5
85.02945	4.8
87.00871	1.5
89.02434	4.2
95.01365	2.0
95.05019	0.6
96.96012	1.2
99.00858	1.2
101.02426	6.9
107.01373	3.2
111.00901	1.4
113.02449	3.8
119.03445	1.1
122.03398	0.6
123.00864	4.0
124.01665	1.3
124.96971	0.5
125.02446	20.7
126.02808	0.7
127.00311	1.1
130.08757	0.8
137.02467	0.6
139.00334	1.9
140.01164	3.2
144.26942	0.5
149.06033	1.9
151.00320	2.1
161.02417	1.5
162.09496	0.5
167.03510	1.2
168.00635	7.7
169.01418	27.5
170.01707	1.6
177.01805	0.7
209.08170	5.5
211.02467	34.8
212.02731	0.6
241.03447	1.5
271.04565	58.3
272.04892	3.0
313.23825	2.1
314.24435	0.6
331.06683	6.8
341.27008	3.1
359.27982	17.0
360.28275	1.2
461.31223	0.9
503.32443	2.0
521.20685	31.1
521.33215	100.0
522.20685	4.8
522.33582	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	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.1
55.66508	0.6
57.03447	2.9
58.00600	1.0
59.01381	20.4
61.98814	3.2
69.03458	1.5
71.01379	25.2
71.54920	0.7
72.01715	0.7
72.99305	2.0
73.02940	10.3
75.00875	1.7
81.03474	0.6
83.01395	7.0
85.02952	14.4
87.00901	2.0
87.04539	0.7
89.02444	4.5
93.03455	5.3
95.01389	3.2
95.79702	0.7
96.96001	1.4
97.02945	1.2
99.00867	5.0
101.02446	22.4
101.03093	1.1
107.01357	0.9
109.03009	0.9
111.00871	3.9
113.02430	10.5
119.03529	1.2
121.02948	3.1
121.10224	1.5
123.00896	2.3
123.08192	1.2
125.02425	6.5
125.09759	0.8
129.01964	1.0
137.02440	5.4
137.09726	1.1
139.00418	1.8
139.11316	0.9
140.01135	0.9
141.09149	1.0
141.12903	1.1
143.03519	1.1
151.00357	1.0
151.04079	0.8
153.01973	1.4
154.21306	0.9
155.10765	1.1
157.12376	1.0
159.03053	1.6
161.04523	4.4
168.00693	2.0
169.01419	7.6
170.01791	0.8
171.10313	0.8
171.13950	1.2
185.11890	2.6
187.13390	1.4
199.13428	1.2
201.14958	6.6
211.02437	1.8
215.12898	1.9
227.07089	7.1
230.15150	0.7
233.37703	0.6
271.04593	3.1
341.27032	0.9
343.24966	2.1
355.25275	1.2
357.26523	0.8
359.28024	13.7
360.28516	1.0
363.20496	3.0
371.24536	1.5
373.25897	30.0
374.26431	1.8
375.27612	2.1
413.11099	2.1
461.31577	0.8
491.32492	0.8
503.32190	1.2
521.20514	15.8
521.33472	100.0
522.20886	1.6
522.33868	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	521.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53435	0.8
59.01392	0.8
59.76524	0.7
61.98819	2.2
69.17879	7.3
72.47242	0.8
78.95904	2.0
105.03461	0.8
108.24332	0.7
117.03471	1.7
119.05019	3.0
121.02990	1.4
125.02391	0.8
133.02968	20.3
134.03760	9.4
135.04529	41.1
137.02463	5.8
139.04018	2.4
145.02945	3.4
152.99612	1.1
161.02441	85.0
162.02791	2.8
163.03996	2.4
169.01431	2.1
170.01888	0.7
178.02762	2.1
179.03490	19.0
180.03862	0.9
235.17033	0.9
285.20694	9.4
293.21280	4.0
335.58514	0.8
429.22775	36.9
430.23175	3.4
447.23911	16.1
448.23999	2.1
487.02136	0.8
521.27545	100.0
522.27899	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	521.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.9
57.03453	3.7
59.01381	100.0
61.98828	32.1
68.95483	1.7
69.03477	3.6
69.18005	2.0
69.18341	16.9
71.01383	48.7
72.99316	3.4
73.02940	25.2
74.32427	1.4
75.00883	2.2
83.01392	5.9
85.02952	16.8
87.00877	7.8
87.04501	2.7
89.02452	25.4
96.96015	3.7
97.02933	1.6
99.00880	5.3
101.02442	51.8
102.02779	2.5
103.03996	14.8
105.49250	1.6
111.00820	1.6
113.02446	15.4
115.03991	4.3
119.03503	12.8
123.00903	2.4
125.02464	16.3
131.03505	7.4
137.02432	2.0
143.03511	11.1
145.02979	2.1
145.05066	6.8
151.00404	2.5
161.04530	3.3
163.06128	57.0
164.06458	1.8
168.00639	1.8
168.74982	2.1
169.01408	15.1
179.05643	3.9
205.07159	20.6
211.02527	3.1
265.09216	4.7
271.04587	4.1
279.65857	1.6
285.20828	1.7
315.18164	4.4
359.28049	10.5
373.25735	3.8
378.64401	1.6
461.23914	22.2
461.30307	2.1
521.20300	22.2
521.33038	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	521.2518
Annotation	Cognatine
Peak:m/z	Relative Intensity
57.03444	4.2
59.01369	3.4
59.39051	2.4
61.98809	3.2
71.24635	2.7
71.24989	2.6
75.18096	2.2
78.95483	2.6
78.95904	28.6
85.04820	1.7
96.96022	2.5
96.96938	2.3
113.09718	23.9
117.91695	1.9
125.02423	3.7
152.99573	42.7
158.98935	2.0
167.10693	4.2
169.01425	7.6
177.95053	2.1
179.10760	4.3
195.13867	3.6
226.40753	2.1
227.03352	4.0
245.04239	4.0
249.22198	4.0
259.59567	2.0
293.21213	100.0
294.21536	7.7
342.13397	2.4
443.26004	2.2
521.12341	3.7
521.25183	90.4
522.25610	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2519
Annotation	Cognatine
Peak:m/z	Relative Intensity
54.93568	0.5
59.01363	1.6
61.98535	0.6
61.98832	9.9
63.45618	0.5
65.87328	0.5
66.90797	0.5
69.20795	2.6
69.21226	3.0
78.30414	0.5
78.95902	36.4
96.96976	3.4
119.23070	0.5
125.02421	1.0
135.04482	0.7
141.09158	0.7
150.98059	1.0
152.99580	49.5
153.99907	0.7
161.02428	1.5
169.01389	1.6
170.01808	0.8
171.00650	4.8
171.10213	0.6
179.14468	1.7
181.12207	0.6
195.13890	15.7
196.14659	1.1
205.12352	1.1
205.15880	0.7
211.13347	0.6
223.13417	8.6
224.13788	0.7
227.03288	4.2
228.13661	0.8
237.87053	0.5
245.04303	2.4
256.13123	1.1
269.85223	0.5
275.20178	4.6
293.21213	69.7
294.21509	4.4
295.22659	1.0
296.23111	1.9
423.17932	0.7
429.20667	1.8
447.21558	0.9
452.18250	0.9
521.25153	100.0
522.25476	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16742	0.5
53.53140	0.5
55.01872	2.1
57.03451	1.5
59.01376	13.0
61.98832	1.2
67.01897	0.6
68.99783	0.6
71.01376	8.8
71.05026	0.8
71.55856	0.8
72.99291	1.1
73.02950	4.8
75.00874	2.1
75.25536	0.5
79.01925	0.8
83.01402	1.4
85.02949	4.6
87.00885	1.7
88.98783	0.8
89.02437	3.5
93.03493	0.7
95.01389	2.0
96.96012	0.9
97.02941	1.0
97.06599	3.1
97.07119	0.5
99.00887	1.0
101.02444	5.3
103.35407	0.6
107.01385	6.5
108.59986	0.6
109.90413	0.6
110.00106	0.6
111.00911	3.4
113.02431	2.9
119.03530	1.0
123.00877	10.6
124.01665	1.6
125.02443	29.7
127.00455	0.7
136.30055	0.5
136.98802	1.6
137.02441	1.0
139.00378	5.3
139.04044	0.9
139.11272	0.7
140.01154	4.6
141.01884	1.0
147.03026	1.7
151.00378	5.7
161.04581	0.7
165.01953	0.9
167.03485	1.3
168.00641	11.2
169.01416	45.4
170.01791	0.8
171.10307	1.5
183.02968	0.9
183.13898	1.0
185.11798	3.2
211.02464	52.2
212.02849	0.9
215.12978	1.0
220.42026	0.6
227.12982	1.0
241.03618	1.7
251.51433	0.6
253.03545	0.6
257.17551	11.0
271.04559	59.0
271.19150	1.0
272.04904	2.9
278.18198	0.6
285.20810	0.8
301.20645	0.7
313.05511	0.9
325.23810	1.1
331.06696	5.2
343.24863	3.5
345.32770	0.6
355.25046	2.2
359.28030	3.1
370.22733	0.6
371.24469	1.5
373.25916	51.1
374.26230	3.6
385.30698	0.6
389.25378	4.1
492.78885	0.6
504.83041	0.6
521.20374	100.0
521.29620	18.6
522.20514	11.6
522.28979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
55.01886	1.0
57.03435	1.7
59.01382	15.7
61.98823	2.0
64.70682	0.9
67.01871	0.9
69.03419	1.2
70.05905	4.7
71.01381	9.0
72.30882	0.9
72.99319	1.3
73.02934	7.7
75.00874	1.8
80.04494	0.9
83.01392	2.4
85.02944	4.2
87.00871	1.5
87.04513	2.4
89.02444	3.6
89.90052	1.0
95.01362	2.2
96.96033	2.1
97.02934	1.2
99.00864	1.4
101.02458	5.1
105.70779	1.0
107.01418	5.4
111.00906	3.7
113.02455	4.0
123.00882	7.7
123.04528	2.5
124.01677	2.6
125.01525	1.7
125.02451	35.0
125.09708	1.8
126.02874	1.0
127.00314	1.4
131.03488	1.0
136.98816	1.0
137.09723	3.2
139.00369	3.4
139.11290	1.3
140.01141	3.1
141.01947	1.0
151.00378	4.0
153.05563	1.5
167.03467	1.9
168.00658	13.2
169.01433	48.5
171.10272	1.7
177.01830	0.9
179.03479	1.6
185.11870	4.4
201.11275	9.7
207.06564	1.7
211.02475	66.2
212.02777	2.2
215.12918	3.2
225.14822	1.2
241.03584	2.3
241.09554	1.3
243.15941	2.7
254.35205	1.1
264.81592	1.1
265.04926	1.2
271.04565	100.0
272.04941	3.8
301.20233	6.5
329.23224	2.5
331.06668	15.0
341.23340	2.6
343.24921	1.7
359.14944	3.2
359.24463	1.4
367.10355	1.6
371.24332	4.4
373.25949	8.9
389.25427	65.6
390.25751	4.5
403.23364	1.4
458.17004	1.4
459.18707	1.7
521.20288	75.3
521.29541	22.6
522.20685	8.2
522.28137	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75253	0.5
57.03424	1.9
59.01378	12.9
61.98830	33.8
65.00320	0.7
67.01862	1.2
69.03420	0.7
71.01385	7.3
71.53857	0.8
72.99303	1.8
73.02924	1.5
75.00861	1.1
78.54092	0.8
81.32327	0.6
83.01367	1.8
85.02944	4.4
87.00857	1.1
87.04482	0.6
88.98785	1.5
89.02449	2.9
90.86905	0.8
94.51632	0.6
95.01362	1.7
95.05042	0.6
97.06570	1.4
99.00862	0.9
101.02445	4.0
107.01408	5.3
111.00868	3.2
113.02431	2.6
114.02749	0.6
119.03452	0.9
123.00888	6.3
123.04494	1.2
124.01642	2.0
125.02446	27.8
126.02773	1.2
127.00391	1.0
135.04430	0.8
135.51930	0.5
136.98785	1.4
137.02434	0.9
137.09706	1.1
139.00351	4.7
139.03999	0.8
140.01157	4.3
151.00360	4.1
152.01160	0.7
153.01903	0.8
157.08714	0.6
161.04466	1.1
165.01912	0.9
166.02744	1.0
167.03513	5.6
168.00638	12.5
169.01424	43.7
170.01787	1.6
171.10246	0.8
175.02449	0.6
181.01363	0.9
181.05002	0.8
183.02968	2.3
185.11832	0.8
191.15935	0.6
201.11093	0.6
202.43184	0.7
207.06622	0.6
209.01019	0.7
209.04509	5.4
211.02472	59.6
212.02817	3.1
219.64035	0.6
227.12903	1.0
239.05406	0.9
241.03476	2.0
257.17532	2.2
269.06595	1.3
271.04575	100.0
272.04892	5.0
331.06708	16.6
341.13861	1.0
359.20340	0.8
373.25916	13.7
374.26181	1.0
383.76288	0.6
389.25391	9.5
403.23099	0.8
521.20300	45.2
521.27692	3.8
521.32721	1.7
522.20551	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	521.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19508	1.2
55.01880	2.1
59.01381	94.2
60.01706	1.5
64.30480	1.2
69.26810	9.5
69.27219	2.1
71.01382	5.5
72.99350	1.2
73.02979	2.3
74.02476	1.4
75.00865	3.6
83.25002	1.4
83.77666	1.2
85.02959	2.0
85.77045	1.1
87.00872	4.1
89.02439	2.9
96.96011	2.0
99.04532	1.6
101.02454	3.9
104.82518	1.3
105.01928	3.8
108.29522	1.4
113.02470	2.6
115.96616	1.3
125.02460	1.6
145.02943	3.0
147.03020	3.9
151.00334	1.3
165.04037	14.1
169.01416	2.4
177.96240	1.2
209.11813	4.6
211.02490	1.6
215.96082	1.1
219.45093	1.2
225.14955	100.0
226.15282	3.8
227.12834	2.7
269.13950	30.3
270.14273	2.1
271.04688	2.4
287.15045	4.1
326.11920	1.4
329.16037	36.1
330.04065	1.8
330.16238	2.2
341.13931	2.4
345.06161	4.9
389.25400	5.2
417.17349	1.4
435.18484	2.1
436.57809	1.3
473.14792	1.6
477.19781	16.0
491.19305	5.7
503.19330	7.4
521.20685	9.2
521.27368	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	521.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
57.03445	2.5
58.00582	1.1
59.01110	1.8
59.01381	31.6
61.98839	1.5
65.00304	1.2
67.01883	1.6
68.99823	1.1
69.03462	2.1
70.08013	1.2
71.01007	1.1
71.01384	17.0
71.52405	1.4
71.91031	1.0
72.99298	2.0
73.02937	7.9
75.00880	10.2
81.03429	1.2
83.01369	3.2
83.04982	1.0
85.02942	8.2
87.00854	2.2
89.02442	6.6
95.01376	2.9
97.02976	2.4
97.06617	1.4
99.00912	1.5
101.02429	5.3
107.01401	11.2
108.02171	1.5
109.02960	1.5
111.00874	4.8
113.02438	5.9
119.03503	3.1
121.02972	1.6
121.06526	1.1
123.00897	15.9
124.01627	3.0
125.02445	76.3
127.00391	1.6
129.01915	2.6
129.73224	1.1
135.04533	1.4
136.98811	2.4
137.02415	1.8
137.09770	1.0
139.00401	5.7
140.01161	6.3
149.02353	1.2
151.00363	15.0
152.01122	2.4
153.01904	2.5
155.10715	1.4
160.05257	1.7
163.07596	1.4
165.01939	1.2
165.04041	21.1
165.05438	1.8
167.03485	3.0
168.00639	15.7
169.01418	97.9
170.01736	4.0
173.04495	1.4
179.03462	1.7
182.01985	1.0
190.02689	1.2
191.05602	1.3
195.03061	1.3
197.47426	1.1
205.05043	1.6
207.04701	1.6
207.06622	24.6
207.13660	1.0
211.02475	57.7
212.02786	3.8
213.02907	2.0
225.11253	1.8
225.14983	5.3
241.03583	2.4
255.05049	2.2
269.13943	1.9
271.04572	70.8
272.04877	4.4
273.05042	4.2
313.05643	18.5
314.05930	1.5
315.01419	3.6
330.03787	4.7
331.06705	9.4
332.06982	1.3
341.13898	1.4
345.06171	4.2
347.11548	1.3
347.24414	2.6
373.25848	2.6
389.25482	12.3
403.23199	1.1
417.21292	1.1
439.08795	10.7
461.20224	2.1
503.19006	1.6
521.12811	78.6
521.20264	100.0
521.29126	4.3
522.13287	6.6
522.20691	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	520.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56827	39.0
53.58388	38.8
53.67580	48.2
61.98833	54.0
71.55283	51.9
71.93522	36.5
85.17240	38.9
96.96002	100.0
113.08870	43.4
224.92183	43.6
270.07901	43.2
331.95703	44.9
336.83972	41.6
344.17242	42.8
344.88370	45.2
479.00711	46.2
543.55127	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53884	0.7
61.98821	1.1
71.10075	1.1
75.31655	0.7
78.95902	42.7
94.16645	0.6
96.96954	5.5
112.16928	0.6
125.02444	1.2
132.75880	0.6
150.98058	1.4
152.99591	100.0
153.99928	1.1
169.01390	2.0
171.00630	3.4
196.84546	0.7
214.76265	0.7
279.23288	0.8
433.17569	1.1
433.23572	24.2
434.23907	2.3
457.82541	0.7
520.27087	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	520.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13626	0.4
59.01378	23.5
60.74344	0.4
61.72691	0.4
61.98829	100.0
69.03465	0.5
69.44505	2.3
69.73976	0.4
71.01376	9.7
73.02944	11.6
75.64216	0.5
82.45298	0.4
83.01389	4.0
85.02950	1.7
88.39022	0.4
89.02441	3.2
101.02441	11.8
113.02441	3.9
113.81300	0.4
119.03512	1.2
123.00867	0.6
125.02439	1.7
131.03523	1.3
135.51357	0.4
143.03537	1.0
149.04547	1.2
155.03534	0.6
161.04523	3.9
169.01447	2.1
203.05664	0.8
221.06729	0.7
236.69475	0.4
238.57095	0.4
361.41867	0.4
466.85895	0.5
520.20801	0.8
520.32178	1.5
521.20538	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82308	0.7
52.34009	0.6
57.03447	1.6
57.64272	0.7
58.39879	0.7
61.98832	4.4
62.38975	0.7
62.62504	0.6
79.01917	0.9
81.03455	0.9
95.01398	0.8
97.02989	1.0
98.19923	1.5
107.01376	0.8
114.45834	0.7
114.67687	0.6
125.02446	59.9
126.02762	1.8
137.02493	1.5
161.02441	3.3
165.01974	0.9
167.03499	0.8
169.01421	100.0
170.01785	3.3
193.01450	2.1
210.88385	0.6
287.05667	1.5
305.06696	3.5
331.04703	1.4
387.85266	0.8
438.66052	0.7
457.07797	4.6
478.09363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49592	0.8
57.03442	1.3
59.01377	1.4
61.98835	4.3
63.74038	0.7
69.71582	4.2
71.01357	1.0
79.05257	0.7
81.03435	1.4
82.61015	0.7
83.01366	1.1
85.02941	0.8
85.21111	0.7
92.46939	0.8
96.95992	1.9
97.02978	1.2
97.05517	0.8
97.26280	0.8
107.01373	1.6
109.49093	0.8
114.18668	0.7
123.00871	0.9
125.02442	58.5
126.02801	1.8
134.03738	1.0
137.02449	2.1
139.03983	0.8
155.03418	1.0
161.02403	3.5
165.01891	1.7
167.03499	1.5
169.01419	100.0
170.01778	4.7
173.04544	1.8
191.05678	0.9
193.01453	1.8
193.05165	1.0
296.07574	0.8
305.06680	4.9
327.09708	0.8
331.04474	1.6
431.14273	1.8
457.07816	6.5
494.64005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.0
57.03455	8.5
58.00585	4.7
59.01380	100.0
61.98828	2.4
69.03439	2.4
71.01382	97.0
71.05016	2.4
71.08366	1.6
71.08736	2.1
72.01714	1.4
72.99321	6.0
73.02943	15.7
75.00877	2.3
83.01390	10.6
83.05008	2.6
85.02955	33.3
85.06583	1.1
87.00881	4.5
87.04503	3.4
89.02444	68.9
90.02755	2.0
93.03448	1.7
93.07115	1.0
95.01384	9.3
96.95976	1.3
97.02928	1.8
97.06586	2.1
99.00884	6.9
101.02445	71.2
102.02790	1.2
109.06576	1.4
111.00859	3.0
111.08195	1.1
113.02454	40.5
119.03502	37.1
121.10247	1.4
123.00832	1.2
125.02438	6.4
125.09692	1.9
127.11338	1.1
129.01927	2.6
131.03493	2.7
131.99002	1.2
137.02437	4.7
139.11295	4.7
141.12836	3.1
143.03528	7.4
147.02910	1.7
149.04541	4.2
151.11264	3.3
153.12830	1.5
155.10712	1.6
157.12326	4.6
159.02983	3.0
161.02449	1.4
161.04572	17.9
163.11324	1.4
169.01414	6.8
169.12334	4.3
170.29613	1.0
171.13957	1.8
177.01831	1.2
179.05595	14.6
181.12361	5.8
185.11823	3.6
186.12593	2.0
187.13347	3.4
199.13403	3.8
201.14978	2.3
228.13638	4.4
243.16129	1.1
267.07455	1.0
297.24332	2.2
305.41202	1.1
305.44800	1.2
309.24316	1.7
315.18286	2.1
321.24368	2.5
327.25412	2.8
339.21762	1.3
339.25320	5.5
341.23181	1.9
353.77771	1.2
357.26431	69.2
358.26624	5.7
371.24396	38.9
372.24643	3.2
373.25821	2.0
381.11832	1.1
387.23917	1.5
405.99994	1.1
477.23373	8.0
501.30527	2.5
519.15381	6.0
519.32074	84.8
520.32190	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	519.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
57.03439	0.5
59.01381	100.0
60.01717	0.9
63.42651	0.4
69.17000	0.9
69.17400	4.1
71.01385	9.4
72.99278	0.5
73.02936	2.2
83.01412	1.4
85.02950	4.5
87.00877	0.8
87.04520	0.9
89.02444	4.8
95.01420	0.6
98.19907	0.8
99.00896	1.2
101.02442	6.6
101.06090	1.0
113.02460	4.4
119.03488	2.1
125.02461	1.2
133.74326	0.4
143.03532	0.5
150.75270	0.4
161.04547	3.1
169.01469	0.5
179.05685	0.8
255.19582	0.6
357.26492	2.7
371.24542	1.2
399.23932	8.8
399.28766	0.7
400.24368	0.8
417.24988	9.4
418.25238	0.8
459.25928	2.1
467.40240	0.4
519.20203	0.5
519.32111	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	519.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85014	0.9
55.01871	2.5
57.03453	5.9
58.00581	1.1
59.01381	100.0
60.01698	1.0
61.98821	5.0
69.03442	0.9
70.87556	2.3
71.01382	32.4
71.04996	1.0
72.99313	3.2
73.02953	11.5
73.59438	0.9
75.00867	2.2
83.01394	5.0
85.02956	15.2
87.00875	2.8
87.04527	1.4
89.02448	16.6
93.03435	1.0
95.01401	3.7
96.96030	1.4
97.02960	1.5
99.00896	4.1
101.02441	22.4
111.00895	1.8
113.02460	15.9
118.91077	0.9
119.03514	6.3
121.02953	2.2
123.00847	2.4
123.04553	1.2
123.08218	1.2
125.02457	6.4
131.03496	1.3
137.09717	1.3
139.11246	0.9
143.03464	1.0
145.02972	1.1
151.00354	1.1
157.12354	1.1
159.03015	2.1
161.04562	7.0
167.03474	2.4
169.01433	7.0
179.05597	2.4
181.04991	1.1
185.11813	1.4
209.04550	2.3
237.46764	0.9
262.90067	1.3
269.06720	1.3
327.21786	1.5
327.25391	1.3
339.25320	3.0
357.13840	1.8
357.26413	19.5
371.24295	5.6
373.25964	2.1
387.23953	2.5
397.11377	1.5
399.23816	5.6
417.24921	7.8
459.25900	1.3
501.30731	1.9
519.14581	2.1
519.20135	2.2
519.31842	76.3
520.32214	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80342	0.9
57.03436	2.5
58.36802	0.9
59.01383	32.0
61.98829	8.1
67.56839	1.0
70.93433	1.9
70.93758	1.3
71.01387	16.1
72.99301	1.5
73.02934	4.6
75.00871	1.8
83.01391	3.7
85.02939	8.0
87.00864	2.4
89.02448	6.7
95.01385	1.6
99.00857	2.8
101.02452	10.3
113.02427	7.2
119.03528	1.8
125.02476	6.9
145.02927	1.4
161.04546	1.8
167.10741	1.2
169.01451	8.3
179.10873	1.3
179.14391	2.3
185.11830	1.6
191.56854	0.9
195.13925	5.9
203.38806	1.0
205.12279	5.4
223.13391	49.3
224.13722	3.6
253.09341	9.0
253.16438	1.1
255.59557	1.0
309.24167	1.6
327.25479	5.5
328.26193	1.0
339.25308	6.1
341.26898	1.2
357.26495	19.8
358.26855	1.5
371.24283	2.0
375.27582	1.9
459.22366	5.7
459.29196	1.6
489.31100	1.5
501.31046	1.6
519.31732	100.0
520.32111	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	519.208
Annotation	Suspensolide E
Peak:m/z	Relative Intensity
57.03424	2.6
58.10545	0.9
59.01382	49.5
65.29610	0.9
69.80155	5.1
71.01006	1.1
71.01381	14.7
72.58765	1.0
72.99303	4.5
73.02938	4.3
73.64583	1.0
75.00871	10.4
77.15841	0.9
80.25628	1.1
83.01379	1.8
83.90916	1.0
85.02946	21.4
87.00880	6.0
89.02448	4.1
95.01363	5.2
96.96022	2.0
97.06590	2.2
99.00887	9.2
99.04503	2.4
101.02443	1.5
111.00910	1.5
113.02444	21.2
115.00416	1.2
117.01965	1.6
125.02368	1.2
129.01962	1.6
131.03461	1.2
145.71510	0.9
164.46094	1.0
169.01424	1.5
175.02515	1.9
193.03444	2.0
205.07176	2.1
207.13860	1.9
209.11873	5.6
225.14888	2.4
227.12852	2.9
249.06207	8.1
267.07144	1.5
291.07278	1.2
309.08243	3.7
341.23389	1.3
371.24310	22.4
387.23965	1.5
457.20923	1.2
475.21945	2.2
483.18689	4.4
501.19800	19.3
502.19882	2.2
519.20801	100.0
519.27942	6.1
520.20941	10.7
523.51221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49102	1.8
55.01857	2.7
57.03443	9.8
59.01380	82.1
59.54003	1.7
61.98841	8.0
69.03438	2.9
71.01382	27.8
71.54865	2.4
71.72877	1.7
72.99308	23.6
73.02935	12.2
75.00872	21.4
81.03407	1.8
83.01372	8.2
84.49392	1.6
85.02949	47.5
86.03288	2.0
87.00874	9.9
89.02387	6.5
93.03358	1.8
95.01382	9.5
96.95949	2.3
97.06551	2.7
99.00868	14.2
99.04485	3.7
100.07854	1.7
101.02444	8.8
103.00341	3.0
109.02879	3.3
111.00860	1.8
113.02445	52.1
114.02756	3.0
115.00285	2.1
116.39960	1.5
117.01895	3.7
117.19784	1.5
120.85250	1.6
123.00847	2.5
124.01648	1.9
125.02468	9.4
129.01910	2.8
130.02678	2.3
137.02399	2.1
139.00349	2.0
145.04988	6.9
146.58125	1.9
157.01357	2.3
157.08533	4.0
168.00668	2.4
169.01466	8.0
171.02998	8.4
175.02383	3.8
177.01768	4.3
181.12267	3.9
181.85152	1.6
189.04045	9.4
193.03418	4.3
199.13197	4.6
205.06996	2.2
207.13794	3.1
209.11673	5.2
217.01256	3.0
225.14987	12.7
227.12712	6.0
231.05034	2.0
249.06148	13.7
250.06354	2.0
267.06967	5.2
268.07336	2.1
269.07581	2.4
269.13705	4.1
309.08109	4.8
329.15823	3.4
341.06354	2.7
357.05869	2.8
371.24176	3.4
387.19382	2.5
387.23816	29.1
401.21677	2.2
457.20660	3.3
475.21375	5.1
481.10880	5.1
483.18420	8.8
501.19815	21.8
502.20221	2.4
519.20331	100.0
520.20813	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	519.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74654	1.2
55.01892	2.0
57.03450	2.8
57.29081	1.2
58.00599	2.3
59.01382	42.5
61.98838	1.4
71.01385	43.6
71.12674	3.4
72.99298	1.7
73.02953	8.0
81.03479	2.1
83.01395	6.1
83.05038	2.4
85.02954	19.8
86.81517	1.5
87.00892	2.8
89.02450	24.4
93.03471	11.0
95.01365	2.0
96.96008	21.2
99.00888	4.3
101.02444	29.2
111.04552	9.6
113.02452	18.5
119.03489	9.6
121.10212	9.7
125.02446	15.0
129.01967	2.5
137.02399	2.6
143.03476	2.0
155.03513	9.3
159.03069	2.7
161.04565	6.9
165.09190	2.3
167.10738	1.4
169.01431	28.9
173.04555	35.0
179.05623	2.3
183.10342	1.7
223.53036	1.5
256.95490	1.4
278.13968	1.3
286.20618	1.4
345.15521	100.0
346.15833	5.9
439.10593	12.8
440.11957	1.8
474.48663	1.3
482.14297	1.5
519.20911	70.9
520.20984	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	519.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49102	1.8
55.01857	2.7
57.03443	9.8
59.01380	82.1
59.54003	1.7
61.98841	8.0
69.03438	2.9
71.01382	27.8
71.54865	2.4
71.72877	1.7
72.99308	23.6
73.02935	12.2
75.00872	21.4
81.03407	1.8
83.01372	8.2
84.49392	1.6
85.02949	47.5
86.03288	2.0
87.00874	9.9
89.02387	6.5
93.03358	1.8
95.01382	9.5
96.95949	2.3
97.06551	2.7
99.00868	14.2
99.04485	3.7
100.07854	1.7
101.02444	8.8
103.00341	3.0
109.02879	3.3
111.00860	1.8
113.02445	52.1
114.02756	3.0
115.00285	2.1
116.39960	1.5
117.01895	3.7
117.19784	1.5
120.85250	1.6
123.00847	2.5
124.01648	1.9
125.02468	9.4
129.01910	2.8
130.02678	2.3
137.02399	2.1
139.00349	2.0
145.04988	6.9
146.58125	1.9
157.01357	2.3
157.08533	4.0
168.00668	2.4
169.01466	8.0
171.02998	8.4
175.02383	3.8
177.01768	4.3
181.12267	3.9
181.85152	1.6
189.04045	9.4
193.03418	4.3
199.13197	4.6
205.06996	2.2
207.13794	3.1
209.11673	5.2
217.01256	3.0
225.14987	12.7
227.12712	6.0
231.05034	2.0
249.06148	13.7
250.06354	2.0
267.06967	5.2
268.07336	2.1
269.07581	2.4
269.13705	4.1
309.08109	4.8
329.15823	3.4
341.06354	2.7
357.05869	2.8
371.24176	3.4
387.19382	2.5
387.23816	29.1
401.21677	2.2
457.20660	3.3
475.21375	5.1
481.10880	5.1
483.18420	8.8
501.19815	21.8
502.20221	2.4
519.20331	100.0
520.20813	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	519.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29921	1.1
55.01844	1.6
57.03450	8.4
59.01379	66.4
61.14012	1.2
61.98829	6.7
63.43879	1.6
66.49201	1.2
67.01876	2.4
69.03432	2.5
69.26386	5.6
69.26820	6.1
71.01379	19.3
72.99309	26.0
73.02953	9.7
75.00874	16.3
78.95884	1.7
81.03435	1.7
83.01340	4.5
83.04998	1.6
85.02950	44.1
86.48825	1.2
87.00886	7.9
87.04477	1.4
89.02438	6.1
95.01385	10.2
96.95956	2.6
97.02922	1.6
97.06545	1.8
98.20675	2.9
99.00882	11.1
99.04472	2.1
101.02383	5.0
103.00327	3.6
111.00835	2.7
113.02454	48.1
115.00323	1.9
117.01856	3.5
123.00849	3.0
125.02480	7.0
129.01868	3.2
137.09689	1.4
145.02968	1.6
145.05081	7.0
157.08626	2.2
161.02385	1.5
161.25514	1.2
165.12775	1.8
165.59531	1.2
167.03360	1.2
169.01508	6.5
171.03023	9.5
171.10159	2.4
173.04521	1.8
175.02344	3.6
177.01855	2.6
181.12312	7.5
183.42397	1.6
189.01909	2.4
189.03899	11.9
193.03435	2.6
199.13350	2.7
205.07060	1.9
207.13860	2.5
209.11697	5.4
217.01230	3.7
225.15016	9.6
227.12721	4.2
231.04997	2.2
249.06171	10.8
267.06976	4.3
269.13690	4.7
269.17325	2.9
287.14789	2.7
291.07285	2.2
309.08060	4.1
329.15762	5.2
341.06406	1.6
345.22708	1.9
357.05862	1.6
371.24362	2.5
387.19528	2.0
387.23840	22.1
428.92914	1.3
457.20883	2.6
475.21710	6.8
481.11014	5.8
483.18240	3.6
501.19769	20.1
502.20114	1.8
519.20282	100.0
520.21100	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	519.1143
Annotation	Methyl 4-O-galloylchlorogenate
Peak:m/z	Relative Intensity
54.46680	1.4
57.03436	2.2
59.01385	13.2
61.98825	1.8
67.01874	2.2
69.03435	1.5
71.01370	6.0
73.02943	2.0
75.00876	3.1
76.33661	1.3
79.95753	1.8
81.03452	2.1
83.05038	3.0
85.02944	4.3
87.00876	3.4
89.02453	2.2
93.03442	9.9
95.01370	2.4
96.96011	30.4
97.02948	1.9
98.20725	2.7
99.04526	1.5
101.02412	2.4
107.01373	6.2
111.04517	13.4
113.02444	4.0
116.92802	1.3
117.03436	4.9
123.00858	2.4
125.02445	60.4
126.02785	1.9
134.03743	42.2
137.02443	7.8
149.06024	3.4
150.03174	1.3
152.03539	2.3
155.03519	20.6
160.01631	3.3
165.01904	3.9
169.01421	100.0
170.01692	2.3
173.04550	31.2
175.03969	3.9
177.02022	1.5
191.05624	8.1
193.05048	50.2
209.00842	3.8
210.83781	1.6
233.62846	1.4
267.07156	3.1
283.10770	2.8
325.05643	22.3
327.09464	2.1
339.08594	1.7
343.06671	9.8
345.06049	4.1
349.09201	3.0
367.10336	12.9
371.08673	1.8
393.69525	1.5
412.19370	1.4
422.53015	1.5
431.14246	1.4
439.10645	19.8
440.10416	1.7
519.11334	24.0
519.19916	5.1
520.11493	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19823	0.2
54.79591	0.2
57.03460	0.2
58.11894	0.2
59.01374	1.4
59.03378	0.2
61.79961	0.2
61.98834	0.3
71.01379	0.6
71.23444	0.4
73.02949	0.2
75.00893	0.4
78.51015	0.2
79.95273	0.4
79.95738	7.1
85.02963	0.6
87.00874	0.3
93.03459	0.3
95.95245	0.4
96.96014	100.0
99.00889	0.3
110.97594	2.3
113.02435	0.5
118.77199	0.2
125.02457	1.1
134.03731	0.8
137.02481	0.5
139.86110	0.2
151.04036	0.4
152.07256	0.2
169.01424	1.6
173.04582	0.2
180.07832	0.3
191.05730	0.2
193.05063	0.6
196.06245	0.2
202.72675	0.2
207.08994	0.4
208.09666	0.2
223.09752	0.4
252.95670	0.2
259.02835	1.4
264.08347	0.2
269.08115	2.3
281.08221	0.2
299.09262	1.3
300.09885	0.3
314.11536	2.3
315.12073	0.3
325.05707	0.2
326.11423	0.4
329.13861	1.0
359.14896	0.3
394.07248	0.6
409.09546	2.1
421.09805	0.3
424.08224	0.2
439.10669	73.3
440.10989	6.7
456.13870	0.7
518.19916	0.3
519.10950	0.2
519.20135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68238	0.2
58.11303	0.2
61.98819	0.5
70.92393	0.2
71.53747	0.3
76.84383	0.2
77.36839	0.2
78.95904	46.3
79.03310	0.2
96.96964	5.9
107.96928	0.2
129.01166	0.2
130.98528	0.2
134.06316	0.2
150.98010	1.8
152.99588	100.0
153.99930	1.5
166.93950	0.2
171.00645	4.0
204.21616	0.2
237.19211	0.2
238.84187	0.2
277.21729	0.7
324.49384	0.2
329.57339	0.2
431.22000	20.8
432.22443	1.6
518.25159	2.7
519.25842	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	517.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46498	1.9
59.01382	100.0
61.98827	4.4
69.38749	3.2
69.39158	14.3
79.93177	2.0
88.81999	2.2
98.20596	3.8
99.89101	2.0
134.21072	2.1
169.22566	2.2
205.77184	2.1
268.68839	2.2
322.22110	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
59.01380	6.4
61.98829	100.0
67.59409	0.4
69.50039	3.2
71.01392	3.1
72.99298	0.6
73.02963	1.1
75.00882	1.0
77.35200	0.5
79.95718	0.5
83.01390	0.8
85.02948	2.9
87.00893	1.4
89.02457	1.5
95.01388	0.8
96.96014	5.2
97.04433	0.4
99.00893	0.9
101.02440	1.9
102.37068	0.4
111.00876	1.2
113.02431	2.8
114.05610	0.9
119.03492	0.8
123.00904	0.7
125.02444	11.9
128.03574	0.6
129.01981	0.5
137.02466	0.8
139.00401	0.5
143.03535	0.5
149.02461	0.7
152.01143	0.7
156.78726	0.4
161.02457	4.8
163.06085	1.0
165.02010	0.5
167.03496	0.7
169.01431	1.8
173.00845	0.6
173.04576	0.5
175.02484	0.5
177.01941	2.5
188.06958	0.5
205.07437	0.5
215.49757	0.4
249.06161	0.8
258.91443	0.4
267.07266	3.3
268.07684	1.2
287.05649	2.2
305.06799	0.7
439.10483	2.8
517.19354	1.0
518.19562	5.1
519.21063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.4
58.00591	1.9
59.01108	1.5
59.01380	26.3
61.98814	1.1
62.93599	1.0
65.74923	1.0
71.01373	4.6
71.37684	1.5
72.99303	3.3
89.01916	1.7
89.02442	19.4
91.04006	79.5
132.43193	1.1
152.99542	1.8
253.09325	1.5
281.24792	8.3
307.30045	100.0
308.30353	9.0
325.31113	1.6
351.29013	55.4
352.29407	6.1
369.30057	55.5
370.30566	5.0
425.32709	32.1
426.32928	2.7
438.32452	1.2
443.33737	52.5
444.33817	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	27.7
61.98813	2.5
71.00137	3.1
71.01378	7.1
72.99321	1.9
85.12085	1.5
85.91386	2.3
87.40456	1.5
89.02431	17.0
91.04012	78.9
93.82850	2.0
97.08745	1.7
106.25739	1.8
164.69243	1.7
194.19269	1.7
194.79791	2.0
223.28773	1.8
278.75610	2.0
307.30063	100.0
308.30371	8.2
325.31018	1.9
327.73895	1.8
351.29019	59.9
352.29303	3.1
363.43954	1.7
368.33289	2.2
369.30087	60.1
370.30380	4.8
402.20981	1.8
410.29108	1.9
423.13998	2.2
425.27267	3.3
425.32709	37.1
426.33249	4.1
443.33685	51.4
444.34082	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	517.301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97949	0.4
55.01878	1.0
57.03428	1.8
58.00563	0.6
59.01381	18.7
60.01721	0.5
61.98827	5.4
69.03452	0.6
69.79763	0.4
71.01379	14.9
71.05016	4.4
71.53645	0.6
72.99282	1.8
73.02949	4.9
75.00861	0.9
83.01405	2.6
83.05009	0.8
85.02952	7.5
87.00854	2.1
87.04515	2.6
89.02449	4.0
95.01379	1.3
96.96001	1.5
97.02908	0.6
97.06593	2.4
97.37251	0.4
99.00863	2.1
101.02448	7.5
110.06020	0.4
111.00848	0.8
111.08160	0.5
113.02457	6.2
114.02711	0.4
117.03444	0.8
119.03467	0.8
121.02967	6.1
123.04507	1.7
123.08182	0.7
125.02404	1.9
125.09723	1.1
137.02367	0.5
137.09729	0.9
139.11288	3.4
141.09193	0.5
141.12830	1.6
145.02946	1.2
149.04379	0.4
151.11305	0.6
155.10825	0.6
157.08612	0.7
157.12357	2.1
161.04515	1.3
167.03488	3.9
167.10733	0.7
169.01416	1.5
169.12311	2.4
173.98061	0.5
177.01793	0.5
179.10739	0.9
181.06485	0.6
185.11821	8.7
186.12103	0.6
191.03444	0.6
199.13383	0.6
213.11311	1.2
214.12051	0.8
215.12866	14.9
216.13258	0.9
225.05551	0.5
229.14462	0.9
233.42505	0.5
243.16029	2.5
267.07419	0.5
313.07132	1.1
319.22852	1.0
325.23700	0.7
337.23853	4.0
339.25311	0.5
343.24872	0.9
353.23181	0.9
355.24872	74.5
356.25266	6.0
357.26157	1.2
369.22507	1.1
369.26520	1.1
373.25916	5.8
374.26398	0.6
397.25983	1.3
401.08844	4.1
499.28064	0.6
517.30194	100.0
518.18317	0.6
518.30609	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	517.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03453	3.1
59.01100	1.1
59.01380	15.8
66.09428	0.6
67.01904	0.9
68.99813	1.1
69.03452	2.3
69.26876	1.2
69.27207	6.0
71.01377	12.1
72.99315	3.6
73.02941	2.4
75.00873	13.1
81.07107	0.8
83.01369	0.9
85.02950	14.1
87.00874	4.4
87.04549	0.8
89.02427	3.2
91.03990	0.6
93.03440	0.9
95.01384	4.0
96.96013	1.0
99.00882	7.7
99.04510	0.9
101.02462	1.3
103.00308	1.4
113.02451	15.5
115.00366	1.1
117.01934	2.2
119.03474	0.6
125.02435	0.9
129.01917	1.2
135.11757	1.8
137.09665	0.8
153.09189	3.9
157.01422	0.8
161.04561	0.6
169.01274	1.0
175.02481	2.3
179.10776	7.9
206.97295	0.7
231.05060	2.1
236.71365	0.6
249.06133	17.4
250.06544	0.9
251.40504	0.6
267.07178	7.1
267.15970	13.6
268.16263	1.1
499.21588	1.4
517.22925	100.0
518.23425	10.0
518.30505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.3
57.03445	4.9
59.01380	37.5
61.98830	4.4
63.33514	0.7
63.97862	0.7
68.99807	0.9
69.03471	0.8
71.01385	22.9
71.32059	1.6
72.01727	0.8
72.99311	5.5
73.02936	2.3
75.00874	13.5
75.01804	0.7
81.33080	0.7
83.01377	2.0
83.05022	1.2
85.02452	1.2
85.02952	24.1
85.10454	0.6
87.00880	11.1
89.02453	5.6
90.42543	0.7
95.01384	4.4
99.00873	10.8
101.02417	3.1
103.00362	2.1
111.00888	1.4
112.08743	0.7
113.02451	34.2
114.02789	0.9
115.00368	2.2
117.01914	2.8
120.05824	0.9
121.17818	0.7
125.02409	2.7
129.01941	2.1
131.03438	1.3
149.04482	1.3
150.18344	0.7
157.01366	1.1
161.09673	2.0
161.13324	2.1
163.11285	1.5
167.03497	1.2
169.01395	2.0
175.02448	2.0
187.11237	3.0
189.09146	1.2
200.66780	0.7
203.27374	0.8
205.07042	1.5
205.12250	2.0
207.05020	1.3
207.10150	1.8
213.15704	0.7
223.13306	2.1
249.03798	1.3
249.06143	15.7
267.07205	64.2
267.11765	1.6
268.07565	1.7
341.15781	1.5
389.75711	0.8
442.72229	0.7
455.19046	1.7
457.16873	2.0
473.19922	1.1
499.18146	3.6
517.19110	100.0
518.19397	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	517.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43131	1.5
55.01866	2.5
57.03445	8.9
59.01381	71.1
61.98829	10.5
62.28941	1.8
66.10622	1.7
69.03430	4.2
71.01379	39.0
72.99306	10.3
73.02939	5.2
75.00876	31.8
83.01376	4.1
83.05034	2.9
85.02953	44.3
86.80088	1.6
87.00871	15.7
89.02431	13.9
93.03445	2.3
95.01389	12.1
96.96013	1.9
97.02943	2.3
99.00873	15.9
99.04520	23.8
101.02438	4.0
103.00385	3.2
103.23822	1.6
109.02956	3.8
111.00869	2.9
113.01707	3.6
113.02451	53.1
114.02773	2.5
115.00394	3.9
117.01946	4.2
123.00861	2.8
125.02456	8.8
128.03534	2.7
129.01942	4.6
131.03531	2.5
135.02986	3.4
139.00314	2.3
139.03975	3.6
149.04527	3.4
161.13368	3.3
169.01430	7.7
175.02425	4.8
177.01930	3.1
187.11212	4.3
189.01875	2.3
205.12312	4.3
216.00693	2.4
217.01373	4.8
223.13367	5.7
231.05092	4.3
249.06137	45.6
267.07181	70.0
267.12091	2.7
268.07449	3.8
309.08389	4.7
313.60587	1.8
331.10596	1.8
341.06812	3.0
341.15869	3.4
349.11435	17.5
357.06036	7.2
370.15088	2.2
434.56238	2.4
455.19205	4.5
473.19983	4.6
481.11423	8.6
499.17026	3.3
499.22638	3.0
505.82196	1.8
517.18304	100.0
518.19147	10.3
525.58923	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	517.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.5
59.01381	50.1
61.98808	3.9
68.99760	3.1
69.03453	1.6
69.32505	6.7
69.32930	4.3
71.01382	29.0
72.99274	4.7
73.02902	3.5
75.00866	22.2
85.02946	30.4
87.00878	13.2
89.02447	9.7
91.03960	2.3
93.03433	1.5
93.21260	1.3
95.01385	8.8
97.02952	1.2
98.19916	2.8
99.00336	1.0
99.00864	10.5
99.04520	14.0
100.72926	1.2
101.02380	2.4
103.00305	2.6
109.02905	2.4
111.00838	2.1
113.02450	42.6
114.02701	1.3
115.00321	2.9
117.01888	2.5
125.02371	5.0
128.03435	1.7
129.01869	2.3
139.03906	2.3
157.01328	2.6
161.09686	2.8
161.13237	1.9
169.01413	2.0
175.02402	3.0
177.01788	2.9
187.11069	3.8
189.01859	2.4
205.07011	2.0
205.12186	4.2
207.05040	1.6
207.10139	2.2
217.01314	3.7
223.13185	4.3
231.04868	3.0
249.06142	33.0
249.11055	1.6
250.06380	2.1
267.07196	59.7
267.11673	3.3
268.07339	1.9
309.08084	4.1
313.06769	1.4
341.06363	3.4
341.15857	2.3
349.11398	10.1
357.05991	6.5
455.19009	2.6
457.16916	3.4
473.20193	6.8
481.11374	7.8
499.18137	4.2
517.18799	100.0
518.19073	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	517.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.3
57.03445	4.9
59.01380	37.5
61.98830	4.4
63.33514	0.7
63.97862	0.7
68.99807	0.9
69.03471	0.8
71.01385	22.9
71.32059	1.6
72.01727	0.8
72.99311	5.5
73.02936	2.3
75.00874	13.5
75.01804	0.7
81.33080	0.7
83.01377	2.0
83.05022	1.2
85.02452	1.2
85.02952	24.1
85.10454	0.6
87.00880	11.1
89.02453	5.6
90.42543	0.7
95.01384	4.4
99.00873	10.8
101.02417	3.1
103.00362	2.1
111.00888	1.4
112.08743	0.7
113.02451	34.2
114.02789	0.9
115.00368	2.2
117.01914	2.8
120.05824	0.9
121.17818	0.7
125.02409	2.7
129.01941	2.1
131.03438	1.3
149.04482	1.3
150.18344	0.7
157.01366	1.1
161.09673	2.0
161.13324	2.1
163.11285	1.5
167.03497	1.2
169.01395	2.0
175.02448	2.0
187.11237	3.0
189.09146	1.2
200.66780	0.7
203.27374	0.8
205.07042	1.5
205.12250	2.0
207.05020	1.3
207.10150	1.8
213.15704	0.7
223.13306	2.1
249.03798	1.3
249.06143	15.7
267.07205	64.2
267.11765	1.6
268.07565	1.7
341.15781	1.5
389.75711	0.8
442.72229	0.7
455.19046	1.7
457.16873	2.0
473.19922	1.1
499.18146	3.6
517.19110	100.0
518.19397	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	517.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64348	1.5
52.96935	1.8
54.00033	1.5
59.01381	100.0
60.01716	2.2
61.98840	10.6
61.99103	2.0
71.01381	3.0
74.75126	1.7
75.77444	1.9
78.95912	6.1
82.13377	1.5
84.22387	1.8
96.96001	4.1
111.01995	15.2
113.91194	1.6
157.03543	3.0
174.99239	17.1
201.02562	45.2
202.02687	25.1
203.02347	5.7
206.95413	2.0
217.00293	74.6
231.97795	3.0
241.22235	2.0
343.04031	2.2
344.03842	16.2
345.03519	6.1
359.01489	11.1
374.99194	40.2
426.97711	2.2
439.01633	2.9
457.02420	7.2
458.02512	2.4
467.70941	1.9
516.96228	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	517.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50355	1.3
58.72058	1.2
59.01141	1.4
59.01381	14.5
61.98829	19.0
68.99778	1.7
71.01397	8.1
71.55877	1.9
73.02923	2.7
85.02943	3.3
85.24868	1.3
89.02419	1.6
90.34857	1.3
95.01385	1.8
96.96005	3.9
99.00858	1.7
101.02415	4.2
107.01373	3.8
107.19530	1.6
111.00915	1.7
111.69110	1.2
113.02425	6.0
123.00878	10.9
125.02453	24.4
136.48953	1.3
139.00354	4.9
140.01108	3.6
140.06184	2.4
140.07172	23.4
141.01947	2.1
151.00368	12.2
159.02937	1.3
168.00632	3.9
169.01434	35.4
211.02586	2.5
221.36690	1.6
267.07324	2.3
267.12457	1.6
292.25485	1.5
310.19885	1.4
313.05670	9.0
365.18097	8.3
454.13538	100.0
455.13776	9.6
455.19562	3.4
457.17050	9.3
499.18555	1.9
517.19208	49.8
518.19757	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	516.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25303	2.3
61.98820	7.8
63.37663	2.6
65.87273	2.4
66.74513	2.3
70.82340	6.7
83.01407	2.8
85.02943	6.6
95.01418	2.8
107.01383	6.1
113.02441	3.1
123.00904	14.5
124.01662	15.9
125.02447	35.6
137.81477	2.6
139.00388	4.0
139.04008	3.5
151.00386	6.1
168.00650	6.3
169.01425	41.4
170.01714	3.4
182.53311	2.6
183.02922	4.3
198.51421	3.2
313.05652	9.1
327.07254	3.4
453.10391	100.0
454.10605	7.9
516.13928	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	516.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
61.98829	100.0
62.99248	0.8
69.22409	5.7
69.22828	1.8
72.66110	0.8
88.43505	0.8
90.53824	0.8
98.20744	1.4
109.23052	0.8
113.71815	0.9
128.76747	0.9
148.44391	1.0
151.74905	0.9
169.01372	1.5
209.71077	0.9
248.01410	1.0
291.19553	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42864	0.1
55.01890	0.3
56.06852	0.1
57.03470	0.1
58.00613	0.2
59.01377	5.0
71.01380	4.4
72.99326	0.3
73.02948	0.8
77.74616	0.1
83.01392	0.7
85.02954	0.7
87.00883	0.5
89.02441	3.2
89.02992	0.2
91.04027	0.2
95.01398	0.3
97.02963	0.2
98.20657	0.2
99.00908	0.2
99.06287	0.1
101.02441	3.9
111.00894	0.1
113.02448	1.8
115.04047	0.2
119.03478	1.0
125.02438	0.2
131.03540	0.2
133.05075	0.3
143.03511	0.3
145.05107	0.1
157.05107	0.1
161.04552	1.6
179.05598	0.6
180.17036	0.1
235.08203	0.9
253.09277	14.3
254.09608	0.4
261.22198	0.4
279.23267	100.0
280.23618	6.8
297.84772	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14784	0.6
59.58855	0.5
61.98833	1.2
70.10113	2.4
99.43418	0.6
110.59977	0.6
163.11285	100.0
164.11604	4.2
177.13019	0.6
234.93231	0.7
339.23267	59.2
340.23535	5.3
348.48743	0.7
356.74588	0.7
376.09924	0.6
384.03912	0.7
405.56741	0.6
414.37729	0.7
515.35321	26.8
516.35620	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	515.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08501	0.2
58.00612	0.3
59.01378	5.6
71.01381	4.1
71.54960	0.3
72.99305	0.3
73.02929	1.2
73.42336	0.2
78.95927	0.2
83.01379	0.7
85.02972	0.9
87.00870	0.4
89.02446	3.4
95.01382	0.3
96.36885	0.2
97.02937	0.2
99.00882	0.4
101.02449	4.2
109.70090	0.2
113.02438	1.8
119.03477	1.0
125.02463	0.2
133.05032	0.3
143.03496	0.4
152.99541	0.5
161.04582	1.7
179.05591	0.5
205.84592	0.2
235.08144	0.9
253.09294	12.9
254.09615	0.6
261.22308	0.4
279.23279	100.0
280.23636	6.1
393.76050	0.2
411.69781	0.2
413.51694	0.2
443.06134	0.2
544.23352	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
57.03440	1.2
59.01101	2.0
59.01379	27.7
61.98830	11.4
69.03455	1.4
71.01374	18.8
72.99301	2.1
73.02955	6.3
74.02444	1.3
83.01384	3.4
85.02946	10.5
87.00861	2.0
89.02438	7.5
93.03453	2.3
95.01397	3.2
96.95992	3.4
98.20648	2.9
99.00865	2.9
101.02438	12.4
107.01361	1.9
111.00869	2.4
113.02436	10.9
117.03468	35.6
119.03526	2.2
119.04247	2.1
119.05025	27.1
121.02944	3.4
121.06573	1.5
121.46109	1.2
123.00894	3.7
125.02451	9.0
127.04012	1.5
133.06563	4.3
137.02425	2.3
137.09720	2.5
138.80762	1.1
139.00363	2.0
145.02948	100.0
146.03275	3.4
151.00348	4.6
159.04576	1.4
161.04610	3.6
161.06062	18.7
163.04004	36.5
164.04289	1.5
165.01907	7.2
165.04085	1.2
169.01425	6.8
177.05566	4.8
187.03992	2.4
187.11336	1.4
203.08275	1.5
205.05049	31.0
209.11810	1.2
235.06104	27.5
236.06430	2.1
265.07156	65.0
266.07446	3.1
271.06198	2.0
303.05112	1.3
325.09415	6.4
353.23209	3.6
373.26065	1.5
411.22739	1.6
471.29510	2.3
497.20447	1.2
515.22662	6.4
515.28369	22.4
516.21954	1.7
516.29169	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	515.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01377	100.0
61.98840	2.5
67.46471	0.6
69.93980	0.7
71.01382	7.0
71.05025	3.2
71.52309	0.8
73.02948	0.7
75.00863	0.9
85.02940	1.3
89.02450	0.8
89.06097	1.1
93.03454	0.6
95.01366	0.8
96.96022	1.4
101.02451	1.6
113.02450	1.3
121.02948	5.3
125.02425	1.5
134.03749	3.9
151.00424	0.9
165.04076	1.8
169.01442	1.3
177.09267	1.3
221.08150	11.7
233.10587	0.7
237.07722	2.4
271.02536	0.8
291.08865	2.8
299.02148	2.4
353.23343	1.2
361.67462	0.8
368.09265	1.4
369.10199	1.0
381.11884	8.7
382.12534	0.9
515.28931	3.7
515.69434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.0
59.01380	100.0
61.98820	3.8
71.01382	6.9
71.05011	3.2
71.11144	2.4
75.00863	1.1
79.33373	1.2
83.01376	1.2
85.02966	1.5
87.00897	1.5
89.02440	1.5
96.96001	1.3
101.02405	2.3
113.02474	2.9
114.95643	1.1
119.56012	1.0
121.02951	4.9
125.02448	2.7
134.03728	3.1
142.62665	1.1
151.00172	1.0
165.04044	1.9
178.03242	1.0
197.09991	1.1
204.44299	1.0
221.08159	13.7
237.07631	1.9
243.71315	1.1
271.58469	1.1
291.08755	1.9
299.02048	3.9
300.02631	1.3
368.08844	3.6
381.11963	9.9
515.15399	3.3
515.28931	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45705	1.0
57.03220	1.3
57.03450	12.4
59.01382	16.6
60.35054	1.2
61.98828	6.1
69.03466	1.3
70.56735	1.6
70.57058	2.5
71.01369	7.8
73.02928	1.7
77.15139	1.0
81.03495	1.5
83.01387	4.1
85.02941	4.6
87.00874	1.8
89.02423	6.0
89.22899	1.1
91.23087	1.1
92.56979	1.0
93.03466	2.2
94.46287	1.1
95.01394	1.3
95.05032	1.6
96.95975	1.7
101.02447	4.6
105.03459	4.7
109.02953	1.7
111.00847	1.3
113.02437	3.0
117.03458	14.8
119.03469	2.0
119.05026	14.1
120.07611	1.1
121.02940	2.6
125.02449	100.0
126.02811	2.2
126.99606	7.2
133.06590	2.3
137.02454	13.3
139.47244	1.2
141.04277	1.1
145.02954	41.0
149.02484	5.5
159.04555	1.7
161.02448	44.0
161.06070	7.0
162.03122	1.4
163.03998	16.6
165.01915	1.4
165.04102	1.2
165.12817	3.5
166.02679	1.4
167.03516	1.9
169.01407	2.5
177.05611	5.6
183.13902	14.4
201.05522	2.2
205.05029	13.3
215.65028	1.3
219.06537	1.5
227.03433	1.7
227.12898	27.1
235.06081	12.5
237.30048	1.0
241.05135	1.2
243.06493	1.5
265.07144	27.6
269.04489	10.9
287.05649	7.7
301.03079	1.2
305.06519	3.6
325.09201	2.6
335.22269	1.9
353.23065	3.0
368.08960	1.1
369.09998	1.4
371.24582	1.5
377.15933	3.1
515.29547	11.2
516.29004	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	515.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69366	1.4
59.01382	6.2
61.98830	13.6
67.01881	1.4
69.38795	10.3
71.01410	7.4
72.99305	2.8
73.02960	1.6
82.89301	1.3
85.02940	1.8
88.98799	2.7
89.02454	2.3
95.01347	1.6
96.96002	4.5
97.02986	1.9
98.20712	2.2
100.12910	1.3
101.02422	4.3
107.01419	3.5
108.02177	10.8
111.00870	1.6
113.02441	4.5
123.00892	5.9
124.01640	2.0
125.02448	39.1
137.02438	1.7
138.01973	100.0
139.00385	2.0
139.02341	2.4
140.01132	1.4
141.01877	1.7
148.37398	1.6
151.00354	6.3
167.03520	2.0
168.00598	4.5
169.01428	58.9
170.01671	1.4
211.02438	4.3
241.03586	1.4
267.07190	2.2
270.39670	1.4
271.04596	4.4
313.05624	54.7
314.06015	4.8
363.16656	3.8
399.92609	1.3
452.08289	91.0
453.08679	9.2
515.17102	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	515.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15809	2.7
55.01836	3.0
57.03436	2.8
59.01378	100.0
61.98832	16.5
69.25635	6.8
69.26041	19.0
71.01374	18.1
73.02940	7.3
75.00896	3.8
79.26267	3.5
85.02955	10.4
87.00865	5.5
89.02441	9.9
95.01392	4.6
96.95998	8.7
98.20700	6.1
98.72747	3.0
101.02433	10.3
109.58581	2.6
113.02458	15.3
119.03479	6.1
125.02458	17.5
161.13350	5.8
169.01433	8.2
187.11249	11.1
205.12373	24.6
223.13304	6.1
267.12314	12.7
309.13339	10.3
335.93765	3.3
353.56085	3.2
515.21320	15.1
515.28473	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	514.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90810	0.9
61.98829	100.0
68.73168	1.1
71.54729	1.2
89.44337	0.9
95.98484	1.1
100.09698	1.0
122.01136	1.2
158.27596	1.0
205.34692	1.0
311.49152	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36795	0.2
52.49202	0.2
54.84010	0.1
58.16175	0.1
59.01386	0.6
61.98831	100.0
72.28584	0.2
89.01265	0.2
96.96016	0.8
110.77866	0.2
123.00902	0.4
125.02477	0.5
135.70787	0.2
160.52924	0.2
169.01456	0.5
229.50682	0.2
259.02853	0.4
313.05960	0.2
314.06268	0.2
363.16742	0.3
439.10443	0.2
452.33282	0.2
454.33658	1.1
509.17062	0.2
515.18054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14972	1.3
57.74413	1.1
59.01383	6.3
61.62805	1.1
61.98828	10.9
66.36270	1.2
69.33767	1.0
69.61906	5.5
69.89390	1.0
71.01376	4.3
72.99282	1.2
73.46585	1.0
85.02939	1.2
89.02431	1.3
95.01390	1.1
96.96018	3.2
101.02426	2.5
107.01373	2.2
111.00879	2.6
113.02453	1.7
119.05025	2.0
120.76781	1.1
122.03713	1.4
123.00895	9.3
125.02444	15.7
125.60947	1.1
134.03732	2.5
135.04491	1.5
136.01634	2.7
137.02512	1.4
137.06142	1.3
139.00363	5.0
140.01125	4.0
149.02435	1.7
149.06053	1.8
150.03195	5.3
151.00375	10.9
151.03993	3.3
165.05603	7.1
168.00652	3.7
169.01422	23.9
170.01732	1.3
178.00618	1.3
195.06642	3.4
211.02493	3.7
211.61246	1.2
241.05040	3.4
256.07440	1.8
271.04587	4.1
271.09619	8.0
299.08978	1.5
313.05795	2.1
451.12424	100.0
452.12689	9.2
467.17123	4.3
497.16068	1.5
514.09113	2.9
514.16644	2.0
515.17822	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	514.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.9
58.24340	0.7
59.01376	4.3
61.98830	100.0
62.61034	0.7
64.71562	0.6
66.06085	0.6
67.22872	0.5
69.03453	1.3
71.01384	2.5
71.14452	0.6
73.02953	0.7
73.07076	0.6
75.09440	0.6
80.96514	0.9
81.03450	0.8
82.02985	1.1
83.01390	1.4
85.02956	1.1
87.00884	1.0
89.02468	0.9
96.96014	1.5
98.20583	1.6
101.02448	1.3
105.03471	1.1
109.03027	0.9
113.02458	1.6
119.05003	3.6
123.00908	0.9
124.04054	0.8
125.02448	31.0
126.02779	1.9
133.07390	0.6
136.04050	1.2
137.02451	3.8
151.00331	1.0
161.02438	12.4
163.03990	8.3
165.01947	1.1
167.03500	1.2
168.00677	0.7
169.01488	3.3
177.02061	0.8
177.05539	1.0
179.03488	0.8
185.00920	0.7
187.11404	0.8
189.02061	0.7
194.04553	0.7
201.05542	0.7
204.50107	0.7
219.06618	1.1
249.06209	0.7
269.04651	1.5
287.05557	9.5
305.06631	8.0
306.07047	1.5
357.06201	0.8
395.15897	0.8
436.15228	0.7
438.16684	6.1
451.10144	3.2
464.15012	0.8
482.15646	15.4
483.16238	1.2
492.54181	0.7
513.20178	0.6
514.19318	3.9
515.21790	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.5
58.32434	0.5
59.01375	4.4
61.98831	100.0
68.09773	0.6
69.03467	0.8
71.01390	1.5
72.99323	0.6
73.02945	0.6
75.00882	0.7
81.03464	0.8
82.03015	0.6
83.01372	0.7
85.02970	1.1
89.02458	0.8
96.55112	0.5
96.95996	1.0
97.02943	0.7
99.00889	0.6
101.02444	0.9
105.03470	1.3
109.02963	1.1
111.04591	0.6
113.02440	1.6
119.05025	4.2
123.00931	0.9
125.02454	34.3
126.02787	1.9
136.04050	0.8
137.02419	3.5
139.04015	0.9
144.22191	0.5
145.02960	1.1
151.00310	1.0
157.11020	0.7
161.02457	13.8
163.03996	9.5
165.01901	1.3
167.03499	0.8
169.01405	3.4
177.05571	1.4
179.03487	0.6
181.08762	0.6
189.01929	0.9
194.04613	0.7
211.02469	1.1
217.01259	0.9
223.13556	0.6
229.56100	0.6
269.04645	2.0
269.08267	0.5
271.04669	1.0
287.05640	11.4
287.08578	1.1
288.05734	0.5
305.06638	7.5
306.07126	1.1
349.12711	0.5
357.06378	0.7
357.68900	0.6
438.16678	1.9
451.10306	4.1
482.15692	4.6
514.19995	1.7
515.21930	1.5
540.21411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
56.37314	0.2
57.35865	0.2
58.00633	0.3
59.01376	7.1
70.85262	0.3
70.85597	0.5
71.01378	4.8
71.66438	0.2
72.99299	0.3
73.02956	1.2
75.14474	0.3
83.01373	0.5
85.02945	0.9
87.00885	0.5
89.02437	3.1
89.47266	0.3
95.01425	0.3
101.02445	4.1
108.80770	0.2
113.02455	2.4
119.03505	0.9
125.02493	0.3
132.58623	0.2
133.05089	0.4
161.04575	1.7
179.05623	0.5
233.22765	0.3
235.08217	1.3
236.04396	0.2
253.09274	15.2
254.09668	0.6
259.20810	0.5
275.20157	0.5
277.21704	100.0
277.89346	0.3
278.22061	7.3
378.51886	0.3
387.03220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
58.00607	0.2
59.01379	5.7
61.98822	0.2
70.48396	0.1
71.01384	4.8
72.99294	0.4
73.02949	1.2
78.95891	0.4
83.01376	0.6
83.05048	0.1
85.02951	1.2
87.00874	0.5
89.02447	3.5
91.03983	0.2
95.01379	0.3
99.00890	0.4
101.02441	4.8
113.02443	2.1
119.03503	1.0
125.02439	0.3
127.07676	0.3
131.03462	0.1
133.05072	0.3
143.03484	0.5
152.99564	0.6
161.04556	1.8
179.05606	0.6
180.96465	0.2
233.22786	0.3
235.08179	1.2
253.09277	15.8
254.09619	0.5
259.20639	0.5
275.20203	0.2
277.21707	100.0
278.22061	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	513.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.3
59.01375	6.9
60.20611	1.2
61.98797	2.3
67.01884	1.5
69.03452	2.3
71.01369	4.7
71.52848	1.8
72.99305	2.8
75.00868	1.8
75.46323	1.4
83.01379	2.9
84.02145	1.7
85.02958	20.2
87.00870	8.8
89.02430	2.6
89.96330	1.2
95.01402	2.1
96.95997	3.0
97.02954	4.3
99.00886	2.6
101.02435	1.8
107.01403	14.2
111.00854	5.7
113.02446	2.6
118.62298	1.4
123.00889	8.5
124.01624	2.5
125.02452	70.1
126.02759	2.2
129.01958	17.7
135.04532	2.1
138.06847	3.1
139.00346	4.7
140.01164	4.3
141.01910	2.1
142.28891	1.3
151.00360	3.9
151.03937	2.5
153.09184	5.2
154.09538	2.5
154.99854	1.8
159.02988	4.8
159.89500	1.3
166.99843	2.4
168.00597	6.3
169.01427	81.4
170.01782	1.8
177.01904	2.0
177.03960	1.8
179.03519	1.5
182.99294	1.6
183.02974	2.9
191.03799	2.1
191.05569	6.3
198.01665	1.4
207.02802	1.9
209.06657	83.1
210.07048	1.9
211.02466	14.1
211.13393	2.5
223.02495	2.6
235.02441	2.9
241.03503	3.3
255.12360	6.9
256.12695	5.4
271.04517	9.7
272.04810	1.3
279.01462	1.9
329.05084	4.3
343.06702	14.5
361.07742	100.0
362.08014	6.9
481.06183	6.1
495.16257	1.5
513.08783	47.5
513.15863	3.8
513.21198	2.3
514.09161	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	513.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05148	3.4
57.03443	6.6
59.01373	6.1
67.53361	3.1
69.87413	3.1
71.01376	11.9
71.54993	5.8
85.02951	66.7
113.53139	3.3
121.64491	3.5
125.02428	21.6
127.04035	3.9
129.01865	4.4
133.01454	3.5
144.03966	3.1
147.02997	6.3
151.03038	3.5
169.01424	25.0
191.02042	23.6
191.05597	100.0
209.03024	96.8
343.06882	19.2
361.04105	22.8
361.07797	6.0
513.08655	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26538	0.6
59.01375	2.2
61.98830	1.5
67.01907	0.6
68.02988	0.7
69.03452	1.6
71.01388	3.3
72.99353	0.8
75.00895	0.6
79.01887	0.7
81.03463	0.7
83.01385	1.6
85.02969	2.5
85.14127	0.6
87.00852	1.2
88.98824	3.7
89.02444	0.8
93.18914	0.6
95.01388	1.9
96.96011	1.4
97.02940	1.3
98.20644	1.9
99.00874	0.7
101.02466	1.7
102.05597	0.6
103.93296	0.7
104.83634	0.6
107.01397	7.9
109.02962	1.2
111.00880	1.6
111.15298	0.7
113.02446	1.9
123.00887	4.7
125.02444	58.6
126.02780	1.4
129.01933	2.0
135.04506	2.5
136.04810	0.7
137.02443	1.7
139.00392	2.5
140.01134	1.5
141.02014	0.7
151.00391	3.1
159.03172	0.6
165.01958	1.1
167.03542	0.8
168.00656	3.5
169.01422	100.0
170.01781	3.0
177.01906	0.9
177.04082	0.7
183.03026	1.0
209.06650	4.1
211.02473	8.7
241.03552	1.4
267.04968	4.2
269.00537	0.6
271.04578	8.5
295.31506	0.8
311.04208	1.1
313.05692	1.7
325.05667	0.9
329.05133	2.2
343.06741	7.7
361.07770	9.1
423.04910	10.6
423.10159	2.4
481.06290	4.1
495.07626	1.1
513.08777	39.4
514.09082	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	512.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63849	1.3
59.01375	6.8
61.98829	9.0
69.82420	1.0
71.01378	4.9
71.55576	1.5
72.00898	1.4
75.00839	1.7
75.68166	1.0
83.01363	1.7
85.02919	3.2
87.00893	1.6
88.98769	1.4
89.02435	4.2
95.01379	2.0
97.02953	1.0
99.00911	1.2
101.02442	4.0
107.01370	5.6
109.02945	1.5
111.00892	2.3
113.02452	3.7
119.03481	1.3
123.00887	13.3
124.01688	1.7
125.02448	36.2
126.02760	1.5
127.89371	1.2
135.04454	2.3
135.06668	1.3
137.02480	1.2
138.05589	1.0
139.00342	3.6
140.01109	1.6
151.00409	9.3
151.03969	3.3
153.01968	1.9
165.01958	1.9
167.03487	1.9
168.00597	3.5
169.01422	64.6
170.01738	2.3
175.02531	2.7
177.01831	1.5
179.03462	2.4
196.06168	5.4
197.06476	2.7
198.06598	2.2
203.08450	1.2
211.02499	9.7
223.02402	1.8
224.56982	1.2
271.04559	13.6
287.64612	1.2
313.05832	5.6
321.02618	1.4
343.06793	1.7
360.11655	2.0
361.07675	2.1
449.12985	100.0
450.13284	8.4
452.53186	1.3
465.10260	1.7
495.11197	3.5
512.13171	11.0
513.08563	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	512.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94410	0.5
50.98565	0.5
51.93142	0.5
52.70483	0.5
53.42023	0.5
53.59245	0.5
59.01376	6.0
61.98831	100.0
66.13561	0.5
66.34386	0.5
69.25365	0.5
69.25671	5.4
71.01377	2.9
72.99327	0.8
73.02951	0.8
83.01421	0.6
85.02965	1.9
86.63718	0.5
87.00880	0.7
89.02477	0.9
93.03501	0.6
95.01382	0.7
96.96007	0.8
101.02478	1.4
112.76432	0.5
113.02466	1.4
115.04002	0.6
123.00893	1.0
124.01752	0.7
125.02443	3.9
126.02831	0.6
137.02484	0.8
139.04042	1.1
142.78177	0.6
151.00420	0.7
167.03586	0.7
168.00714	0.7
169.01431	3.6
175.04086	0.7
216.18948	0.5
217.06572	2.8
218.06873	3.6
236.76424	0.5
241.76598	0.6
267.07285	1.8
360.13632	0.6
512.22406	1.1
513.09149	0.8
513.20093	0.7
513.27313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20659	1.0
59.01367	3.1
61.98812	3.1
71.01369	6.2
71.02115	1.1
71.02488	3.3
85.02934	3.3
87.00869	2.7
95.01374	1.8
96.42729	1.3
101.02438	1.5
107.01368	4.2
113.02431	2.4
119.03493	1.1
123.00888	11.5
123.04497	1.0
125.02452	21.1
135.06635	1.4
139.00380	5.2
140.01141	2.2
141.01895	1.2
146.50554	1.0
151.00334	8.0
163.89059	1.2
168.00623	3.2
169.01424	38.2
175.02513	1.6
184.52309	1.1
209.06583	2.3
211.02495	6.0
218.08565	1.1
271.04572	11.6
313.05795	5.1
361.07648	3.1
382.69339	1.3
449.12988	100.0
450.13416	9.8
513.08740	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	511.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88431	0.3
57.03446	0.9
59.01385	0.4
61.44780	0.3
61.98819	0.5
69.03452	0.3
69.58916	1.9
71.05064	0.3
77.52920	0.3
97.06593	0.5
98.20647	0.4
110.36071	0.3
111.08176	2.2
114.33750	0.3
153.56807	0.3
163.11320	0.4
165.12851	22.2
166.13191	1.0
181.12370	0.5
183.13904	100.0
184.14249	4.2
209.11879	4.5
212.41522	0.4
227.12889	16.5
228.13289	0.8
283.15515	1.4
301.16571	17.4
302.16806	1.0
311.15305	0.3
331.26340	0.4
375.25635	0.3
449.29056	1.0
467.29971	1.6
493.28040	1.2
511.29105	30.5
512.29608	2.9
515.20612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	7.9
59.01376	2.9
61.98817	1.2
69.03468	1.3
70.07729	0.7
71.01391	1.6
72.99317	1.6
73.02950	0.8
75.00906	1.2
82.02991	0.9
83.05030	0.8
85.02959	2.2
89.02432	1.0
93.03488	0.9
95.05018	2.2
97.02957	2.1
101.02443	2.0
107.01365	1.2
109.02963	2.1
109.06588	4.5
111.04528	1.6
113.02455	3.2
123.00896	2.4
123.08163	1.2
125.02451	6.8
135.08139	5.8
137.06052	1.6
137.09712	2.6
138.06865	26.3
139.00371	0.8
139.07330	0.9
151.00363	1.7
151.07631	1.2
153.01973	1.2
153.09212	73.8
154.09535	2.6
163.11281	1.3
165.05547	0.8
165.12810	1.0
167.03528	1.1
168.00568	0.8
169.01416	11.0
171.02983	1.0
175.11246	1.7
177.09149	1.4
183.03012	1.1
183.13876	2.6
189.04001	1.3
193.12349	8.5
211.02475	2.3
211.13373	25.6
211.15407	1.3
212.13702	1.1
225.03986	1.0
232.05914	0.8
255.12364	100.0
256.12766	6.0
258.59735	0.8
260.01819	0.9
263.78409	0.8
271.04584	2.4
278.27563	0.8
287.10446	1.5
291.43356	0.7
313.05618	1.0
326.70862	0.6
331.09421	0.8
333.60934	0.8
359.10123	1.0
363.12000	0.8
397.85538	0.7
467.16611	1.1
511.14374	13.3
512.15015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1611
Annotation	6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether 3-rhamnoside
Peak:m/z	Relative Intensity
51.87523	0.5
57.03442	1.8
59.01379	3.1
60.07476	0.4
61.98829	2.3
65.00333	0.6
67.01882	1.3
68.99821	0.7
69.03450	0.7
69.19619	1.8
69.20052	2.5
71.01377	1.7
72.99292	0.6
73.02944	0.5
79.01917	0.6
80.96472	0.5
81.03473	0.7
83.01391	1.6
85.02927	0.5
95.01407	3.6
96.96040	0.9
98.20660	1.0
99.04511	0.6
106.27658	0.5
107.01393	8.8
109.02956	2.2
110.00121	0.6
111.00877	5.8
113.02439	0.6
113.61859	0.4
118.89983	0.5
121.02950	1.7
123.00894	10.2
123.04504	0.7
124.01689	5.3
125.02451	29.8
126.02785	1.1
127.00345	2.2
135.04454	0.6
136.01657	0.7
136.98814	3.4
137.02428	5.6
138.03236	0.9
139.00383	7.0
139.04015	7.2
140.01175	6.5
141.01901	0.7
147.04405	0.5
150.03195	0.7
151.00406	2.6
151.03949	0.5
152.01141	2.2
153.01910	1.5
154.99834	1.0
161.02478	3.2
161.05949	0.5
165.01956	0.6
165.05536	0.5
166.99873	3.3
167.03459	1.9
168.00644	10.8
169.01436	15.5
170.01945	0.6
173.06114	0.4
178.99843	1.9
179.03464	0.6
179.10648	0.5
181.01430	3.8
182.02132	0.8
183.02983	15.1
183.89017	0.4
189.05515	0.6
197.04572	0.9
217.01505	0.6
287.05579	1.4
305.06558	1.4
327.12601	0.8
331.04553	1.9
341.59256	0.4
455.04163	0.4
481.11972	1.0
483.12775	1.0
495.13373	0.5
496.13834	5.6
511.16068	100.0
512.16388	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	511.1455
Annotation	CHEBI:67505
Peak:m/z	Relative Intensity
59.01379	8.7
61.98822	1.6
64.83228	1.1
71.01387	7.4
71.23164	2.4
72.99316	2.3
73.02957	1.2
79.01906	1.8
82.03005	2.0
83.01387	1.3
85.02973	3.8
87.00910	1.2
89.02480	3.4
95.01439	3.2
96.96053	1.1
97.02998	2.2
101.02460	3.6
107.01369	7.0
111.00926	3.4
113.02482	4.4
121.02965	2.6
123.00891	16.2
123.04497	1.2
124.01701	3.8
125.02444	49.0
127.00352	1.4
139.00407	6.2
139.04021	1.6
140.01219	3.5
141.01942	2.6
151.00377	11.5
165.05649	2.9
167.00040	1.4
167.03613	1.6
168.00635	8.0
169.01419	58.7
170.01743	2.0
182.02261	1.3
183.03043	4.5
185.08319	1.5
197.04694	1.3
211.02515	8.4
225.04179	2.3
271.04599	8.9
285.08835	1.8
287.10318	1.7
313.02097	1.1
313.05661	3.1
331.06778	2.9
345.12201	1.7
359.10031	2.5
363.11993	1.3
467.17819	1.3
511.14832	100.0
512.15546	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	511.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73990	0.5
53.75982	0.4
57.03444	0.7
59.01378	7.8
60.22395	0.5
61.86841	0.5
61.98820	2.5
63.09418	0.6
63.79744	0.5
67.01884	0.9
69.03453	0.6
71.01378	4.3
71.32649	1.0
72.99296	2.2
73.02946	0.7
75.00867	0.8
77.35480	0.5
79.01881	0.8
82.03019	0.6
83.01365	0.6
85.02954	3.7
87.00900	0.9
89.02431	3.8
95.01389	2.8
96.95975	0.5
99.00895	1.0
100.26274	0.7
101.02443	2.1
107.01382	5.6
109.02934	0.7
111.00896	3.0
113.02448	5.2
119.03483	1.6
121.02934	0.8
122.06113	0.5
123.00893	12.9
124.01673	1.8
125.02444	24.2
126.02729	0.8
127.00338	0.8
134.03682	0.9
135.04497	2.0
136.98817	1.4
137.02458	0.7
139.00362	5.9
139.03996	1.3
140.01187	2.7
141.01939	1.5
148.26506	0.5
149.02414	0.8
149.06091	0.5
150.03177	0.8
151.00365	7.5
153.01924	1.0
154.01436	0.8
154.99760	0.6
156.91116	0.5
164.04805	1.0
165.01987	0.7
165.04141	0.6
165.05530	2.5
166.99811	0.7
167.03535	1.2
168.00653	6.7
169.01422	33.8
170.01761	1.2
175.02551	0.6
179.03583	0.7
179.07085	0.7
181.05112	0.6
183.03017	4.4
189.04008	1.3
197.08173	0.7
210.01689	1.8
211.02473	12.1
214.07925	0.5
225.04088	4.0
231.02780	0.5
271.04572	12.2
285.06104	3.0
287.10376	1.0
290.11697	0.5
313.05585	1.9
331.09549	0.7
341.05139	0.8
345.11847	1.3
359.06128	1.6
362.36136	0.7
363.12119	0.7
429.76651	0.6
511.14539	100.0
512.07312	1.0
512.14819	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	511.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01049	1.3
54.14320	1.2
57.03414	2.5
57.86082	1.3
59.01356	5.2
61.98794	4.8
71.01360	3.0
81.03436	2.9
83.01350	2.1
83.04987	1.1
84.19547	1.1
89.02452	1.4
93.03450	3.1
95.01366	1.8
100.00341	2.9
109.02952	33.8
111.04507	8.8
115.20486	1.3
117.03428	2.8
119.05025	8.7
121.02889	2.5
123.00887	11.7
123.04507	1.6
124.01626	3.0
124.56502	1.3
125.02448	34.0
133.02892	4.3
137.02390	5.5
138.03235	8.9
139.03065	2.0
139.04021	28.9
142.06580	3.4
145.02898	4.7
146.63623	1.1
147.04439	2.1
149.02393	2.5
151.00334	2.2
151.03923	1.2
153.05515	3.1
161.02328	4.9
162.03033	1.3
163.03938	1.9
165.01900	1.8
166.02586	1.4
167.03484	10.7
169.01349	4.7
169.24168	1.1
173.02415	1.8
173.04527	1.7
175.02504	1.2
175.03954	1.4
176.01082	2.7
177.01936	43.1
179.03416	3.6
185.11763	1.5
186.05507	2.4
187.03963	2.9
189.01927	59.2
190.02611	9.3
191.03482	8.2
203.03365	4.9
205.05040	2.2
216.00647	12.6
217.01410	89.3
218.01634	4.5
219.02992	5.9
219.06522	3.0
221.04440	2.0
222.01617	1.3
229.06044	4.9
229.14319	1.6
231.02911	11.6
233.04401	4.8
255.02892	1.9
256.03259	1.6
258.05161	1.4
269.04434	2.1
272.02823	2.7
280.03809	1.9
283.02411	1.8
285.03970	3.2
287.05588	7.0
289.06958	3.8
295.06067	1.9
296.11459	2.5
297.03964	2.8
299.09808	1.3
300.02631	3.0
300.06116	1.7
301.03064	8.3
301.06680	2.4
302.03613	3.9
305.06589	8.3
313.03159	2.2
314.04276	2.2
324.02151	1.3
328.05838	1.7
329.06500	2.8
331.08316	8.0
341.02945	1.9
343.08350	8.1
349.11859	7.0
356.05191	3.2
357.06158	100.0
358.06567	8.2
371.07703	88.6
372.07944	9.6
385.08963	3.3
421.08215	1.6
448.09790	10.3
511.11993	43.6
511.17941	4.9
512.12256	3.2
512.19952	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	511.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58680	1.3
57.03450	12.2
59.01377	6.2
61.98830	12.1
69.03449	1.2
71.01376	2.6
73.02984	1.6
78.91894	3.9
81.03457	2.3
81.48679	1.1
83.01391	5.1
85.02970	1.8
93.03481	1.8
95.05035	3.3
96.96020	5.8
97.02971	1.3
98.19874	3.5
105.03471	3.9
107.01410	1.8
109.02950	6.0
121.02932	2.7
123.00919	3.9
123.04504	1.6
124.01659	2.1
125.02448	100.0
126.02805	3.0
133.02991	1.3
137.02434	16.8
138.03175	1.3
138.39757	1.3
139.03990	4.2
149.02412	4.2
151.00429	1.8
161.02449	29.7
162.02905	2.0
164.01161	2.4
164.04761	2.9
165.01930	12.2
167.03502	6.5
169.01445	6.9
177.01950	1.9
177.05557	5.3
179.03514	4.5
179.07114	1.5
190.02701	3.7
205.04980	4.2
208.03735	3.0
211.02417	1.5
219.06636	4.7
223.06152	11.8
269.04593	1.9
279.68427	1.5
287.05606	2.6
305.06668	28.1
306.06989	2.9
306.67038	1.1
340.66019	1.1
345.09824	4.1
358.38190	1.3
392.27374	2.8
436.18857	1.4
467.19388	1.7
475.14038	1.3
511.18454	7.3
512.20227	6.3
528.07373	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01049	1.3
54.14320	1.2
57.03414	2.5
57.86082	1.3
59.01356	5.2
61.98794	4.8
71.01360	3.0
81.03436	2.9
83.01350	2.1
83.04987	1.1
84.19547	1.1
89.02452	1.4
93.03450	3.1
95.01366	1.8
100.00341	2.9
109.02952	33.8
111.04507	8.8
115.20486	1.3
117.03428	2.8
119.05025	8.7
121.02889	2.5
123.00887	11.7
123.04507	1.6
124.01626	3.0
124.56502	1.3
125.02448	34.0
133.02892	4.3
137.02390	5.5
138.03235	8.9
139.03065	2.0
139.04021	28.9
142.06580	3.4
145.02898	4.7
146.63623	1.1
147.04439	2.1
149.02393	2.5
151.00334	2.2
151.03923	1.2
153.05515	3.1
161.02328	4.9
162.03033	1.3
163.03938	1.9
165.01900	1.8
166.02586	1.4
167.03484	10.7
169.01349	4.7
169.24168	1.1
173.02415	1.8
173.04527	1.7
175.02504	1.2
175.03954	1.4
176.01082	2.7
177.01936	43.1
179.03416	3.6
185.11763	1.5
186.05507	2.4
187.03963	2.9
189.01927	59.2
190.02611	9.3
191.03482	8.2
203.03365	4.9
205.05040	2.2
216.00647	12.6
217.01410	89.3
218.01634	4.5
219.02992	5.9
219.06522	3.0
221.04440	2.0
222.01617	1.3
229.06044	4.9
229.14319	1.6
231.02911	11.6
233.04401	4.8
255.02892	1.9
256.03259	1.6
258.05161	1.4
269.04434	2.1
272.02823	2.7
280.03809	1.9
283.02411	1.8
285.03970	3.2
287.05588	7.0
289.06958	3.8
295.06067	1.9
296.11459	2.5
297.03964	2.8
299.09808	1.3
300.02631	3.0
300.06116	1.7
301.03064	8.3
301.06680	2.4
302.03613	3.9
305.06589	8.3
313.03159	2.2
314.04276	2.2
324.02151	1.3
328.05838	1.7
329.06500	2.8
331.08316	8.0
341.02945	1.9
343.08350	8.1
349.11859	7.0
356.05191	3.2
357.06158	100.0
358.06567	8.2
371.07703	88.6
372.07944	9.6
385.08963	3.3
421.08215	1.6
448.09790	10.3
511.11993	43.6
511.17941	4.9
512.12256	3.2
512.19952	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	511.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.1
60.94793	0.4
67.01877	0.7
69.03448	0.8
69.53346	2.9
71.01379	3.3
72.99276	0.7
73.02933	1.0
79.01907	0.7
81.03443	0.7
83.01399	0.9
85.02955	1.5
87.00880	0.9
89.02475	0.5
95.01376	2.4
96.27100	0.5
97.02943	1.6
101.02438	3.6
107.01389	12.9
109.02953	0.5
110.00077	0.6
111.00874	3.4
113.02438	1.9
121.02962	0.6
123.00883	12.5
124.01672	3.5
125.02446	41.5
126.02778	1.5
127.00352	1.1
135.04457	0.5
136.98790	1.7
137.02470	0.8
139.00377	7.7
139.03996	5.6
140.01155	5.1
141.01903	1.5
151.00375	11.1
151.03850	0.4
153.01941	0.8
163.04059	0.8
168.00635	7.4
169.01421	46.3
169.05087	5.9
170.01845	1.1
171.01765	0.6
181.01324	0.6
181.05025	0.8
197.04489	1.2
211.02490	0.9
215.28812	0.4
243.71660	0.5
253.03465	0.7
313.05737	2.6
341.08780	3.7
359.09811	57.4
360.10168	3.9
511.10837	100.0
512.11176	10.3
515.10583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.5
68.99846	1.0
70.34648	2.2
70.35014	1.8
71.01368	2.8
72.99303	1.3
80.07106	1.3
85.02924	2.6
86.70929	1.0
87.00869	1.1
95.01364	1.8
101.02446	1.3
107.01404	5.4
109.02948	5.3
111.00848	1.6
113.02428	3.0
123.00884	6.2
125.02447	37.0
126.02754	1.4
134.03735	1.3
135.04521	100.0
136.04836	4.4
137.01456	1.7
137.02443	25.5
139.00342	1.5
139.03935	1.9
140.01198	1.5
146.76009	1.0
151.00380	4.7
153.01921	2.7
161.02446	1.7
161.04546	1.1
167.03503	2.3
168.00626	1.9
169.01419	59.0
170.01717	2.1
179.03484	11.6
197.04549	1.9
211.02354	1.8
226.61813	1.1
241.03555	1.0
271.04626	1.9
313.05615	39.1
314.05783	1.9
341.05179	1.4
359.05939	2.2
359.09756	4.2
449.10657	4.3
451.08868	9.5
485.08835	1.2
493.10092	9.3
511.10803	82.5
512.11237	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	510.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.6
59.01381	11.1
60.03482	1.1
61.63356	1.1
61.98588	1.0
61.98833	12.6
63.62284	1.1
65.69437	1.1
66.82916	1.1
69.03436	2.9
71.01367	9.9
71.04995	1.3
72.01686	1.1
72.99298	2.6
73.02927	1.4
75.00874	7.7
83.01393	2.5
83.05035	1.6
85.02942	9.0
86.03286	1.3
87.00863	3.9
88.98777	1.5
89.02440	2.2
93.03460	3.4
95.01340	2.2
96.95991	6.6
98.20757	2.1
99.00859	4.0
101.02433	3.4
107.01398	7.2
108.01698	2.0
111.00873	1.4
111.04511	4.6
113.02452	9.4
115.00370	3.1
121.02995	1.4
123.00838	1.6
125.02446	31.3
126.02809	6.5
128.01140	1.9
129.01942	1.2
132.65407	1.3
133.02940	2.6
135.03006	1.1
137.02441	4.1
139.04021	1.8
139.11272	2.7
149.02420	2.1
151.00337	4.4
155.03542	7.6
156.00639	13.4
156.03853	2.7
164.72455	1.4
169.01419	46.5
170.01755	12.9
173.04538	9.2
174.04875	2.7
175.02438	5.1
175.03822	1.9
177.01932	1.9
180.04253	1.2
181.04698	1.4
183.10266	6.6
184.10565	5.1
195.06558	2.0
199.03879	1.9
256.03830	1.4
284.03247	44.9
285.04034	99.5
286.04288	6.7
288.08490	1.3
325.05588	3.1
326.05966	4.1
334.11154	1.8
335.11343	1.7
357.15515	2.2
358.15930	3.1
391.26999	4.3
409.53094	1.1
447.09299	100.0
448.09717	9.2
509.15829	2.3
509.23032	10.0
510.16660	16.1
510.22839	13.5
511.17441	1.8
511.23831	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	510.089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44620	1.3
50.92471	1.3
54.52883	1.3
56.30815	1.3
57.03450	2.2
57.85676	1.1
59.01379	8.0
61.98817	12.5
65.00314	1.7
70.72281	2.9
70.72633	2.8
71.01398	3.1
75.00858	1.8
82.35927	1.5
83.01382	1.7
85.02950	1.5
95.05043	1.8
96.96004	6.6
101.02451	2.1
107.01369	3.7
109.02975	8.7
111.04523	2.1
113.02422	2.0
121.02938	2.3
123.00872	5.6
125.02445	33.0
133.02917	6.8
137.02448	4.7
138.03198	3.0
139.04010	7.9
149.02402	2.7
150.77681	1.4
151.00394	7.1
161.02481	6.7
165.01971	2.8
167.03476	5.0
168.00566	1.6
169.01404	4.0
170.01715	1.4
175.03958	3.7
177.01898	9.4
178.95822	1.5
179.03461	1.5
189.01947	23.7
190.02692	1.8
191.03418	2.8
193.01390	4.5
194.01724	3.2
194.20297	1.2
199.03888	2.1
201.01955	2.1
203.03534	2.3
209.08113	1.3
216.00598	3.8
217.01416	29.7
217.04823	1.4
219.06686	2.1
222.89998	1.5
223.06065	1.9
231.02994	3.4
233.04517	1.9
257.04587	1.8
271.02484	4.2
284.03232	3.6
285.04028	100.0
286.04410	7.9
287.05341	1.6
287.37643	1.4
297.03873	1.5
300.02756	6.7
301.03439	4.7
302.03705	1.8
305.06689	7.9
320.04810	1.8
343.08160	1.5
357.06198	23.2
371.07681	30.3
391.26773	5.2
392.27148	3.0
447.09280	59.2
448.09656	4.8
509.29251	5.3
510.29190	2.2
511.12128	19.0
511.18185	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	510.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03397	1.3
59.01381	14.9
61.98827	25.1
66.58270	1.2
69.51264	8.2
71.01371	6.6
72.99304	1.9
73.02946	5.7
81.03467	1.3
83.01397	2.9
85.02960	4.9
85.17690	1.2
87.00882	3.2
89.02466	1.5
93.03470	3.8
95.01407	1.3
96.96029	2.8
99.00854	2.5
101.02443	2.7
107.01404	2.5
108.30820	1.6
109.02955	13.1
111.04526	2.3
113.02441	3.9
121.02969	5.2
123.00910	7.0
124.01673	1.8
125.02451	20.4
126.02817	1.8
133.02948	2.6
135.04521	1.3
137.02435	5.4
138.03200	3.9
139.04007	7.7
145.02948	2.6
147.04527	2.4
151.00385	9.6
153.05621	2.1
161.02380	2.8
163.00403	2.2
163.04013	1.6
167.03459	5.2
168.00630	2.1
169.01443	13.5
169.52820	1.4
170.01808	2.6
173.04510	2.5
177.01926	17.1
178.99820	4.6
179.03485	1.6
185.11783	1.9
189.01927	28.5
190.02678	2.0
191.03493	3.7
203.03540	2.0
216.00583	4.2
217.01427	32.3
219.03018	4.3
227.03545	3.5
231.02982	4.4
233.04660	1.7
243.02931	4.8
255.02972	16.1
256.03491	1.6
271.02451	28.6
272.03040	2.6
273.03885	1.6
283.02509	3.4
285.04019	10.7
300.02750	54.9
301.03534	41.7
302.03949	2.3
305.06516	2.6
325.05801	2.4
327.05334	2.2
343.08047	2.5
357.06146	30.2
366.31531	1.4
371.07724	38.6
385.09305	3.0
391.27118	6.5
392.27264	3.6
447.09314	100.0
448.09637	9.6
467.86258	1.4
509.30240	8.7
510.16962	8.2
510.30145	2.8
511.12326	19.8
511.18378	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	509.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
71.03041	0.6
78.95901	19.6
91.63034	0.5
94.59457	0.5
96.96955	1.7
124.18723	0.5
124.19592	0.5
128.82448	0.4
139.80898	0.4
150.97963	0.5
152.99594	29.8
159.59775	0.5
171.00635	1.6
215.96843	0.5
227.03288	4.2
245.04288	1.3
281.24847	100.0
282.25217	7.5
417.23993	0.9
509.28833	57.0
510.29266	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	510.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.0
58.03786	0.7
59.01374	7.9
61.98830	8.9
67.01892	1.4
69.03447	7.2
69.40424	6.6
70.03792	1.1
71.01379	7.1
71.05015	0.8
72.99314	1.6
73.02952	2.5
75.00866	4.5
81.03461	1.6
81.99350	0.8
83.01391	1.4
83.05033	3.2
85.02946	6.0
85.14669	0.8
87.00886	3.9
89.02460	2.5
93.03452	9.6
94.03787	2.9
95.01392	1.9
96.96017	4.6
99.00880	3.1
101.02442	2.5
107.01379	10.3
108.01729	2.3
109.09586	0.9
111.00893	2.6
111.04517	9.7
111.05228	1.2
112.04858	3.2
113.02426	5.1
115.00362	2.7
121.02954	1.8
123.00876	1.8
123.48190	0.9
125.02443	62.5
126.02783	15.9
127.04055	1.5
128.01207	0.9
133.02986	1.5
137.02443	7.8
138.02802	1.9
139.00380	1.7
139.11288	7.0
140.11624	2.9
151.00380	2.5
155.03513	16.3
156.00641	7.0
156.03819	6.2
164.01059	0.8
169.01419	100.0
170.01759	31.2
171.01797	1.7
173.04552	22.6
173.06020	1.9
174.04919	6.2
175.02528	4.1
175.03860	1.3
176.02852	0.8
177.01942	1.0
183.10255	18.8
184.10548	9.1
184.45813	0.8
191.05621	1.6
195.06511	0.8
199.03976	0.9
222.01671	0.8
243.02811	0.8
256.03894	1.3
259.02811	0.9
275.09979	0.8
284.03232	26.2
285.03998	53.3
286.04361	3.4
325.05615	11.8
326.05963	12.5
334.11200	2.2
335.11264	1.6
336.11496	1.9
339.14612	1.2
340.14719	1.9
343.06714	2.7
344.06976	1.9
353.80823	1.1
357.15857	4.4
358.15881	6.1
391.26990	4.5
392.27585	2.0
434.16666	1.3
447.09308	53.4
448.09644	5.5
509.15683	5.5
509.23608	4.4
509.29181	1.5
510.16919	41.0
510.22812	4.4
511.17642	4.6
511.24841	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	509.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	2.0
59.01378	100.0
61.29641	1.4
61.98833	5.3
69.03472	2.3
69.96899	8.0
71.01379	36.4
72.99294	5.7
73.02949	28.9
75.00887	1.4
75.67126	1.5
78.95906	4.8
81.03445	1.7
83.01389	3.5
85.02938	12.5
87.00888	9.8
87.04523	4.5
89.02442	37.1
89.94611	1.3
96.95970	2.1
97.02943	1.6
97.06600	3.5
101.02439	55.9
103.04004	23.9
103.04650	2.3
109.02900	2.0
109.38638	1.5
113.02455	8.2
115.04012	8.2
119.03498	13.4
125.02465	7.2
127.03975	1.7
131.03499	10.1
137.02423	2.7
143.03482	17.3
145.05087	8.4
161.02463	1.7
163.06116	84.2
167.03499	3.2
169.01421	8.2
171.10196	1.7
179.05528	2.4
193.12303	3.9
196.06175	2.6
196.77896	1.6
205.07173	30.8
213.14929	3.2
225.14932	5.0
246.19508	1.6
265.09225	8.2
268.19901	1.9
271.04626	4.7
283.07022	2.0
299.71713	1.4
300.02673	2.5
301.03571	1.7
310.45316	1.5
341.23297	20.5
424.33145	1.7
435.50598	1.6
447.09207	1.9
449.23819	17.9
491.33768	1.6
509.24823	12.3
523.28540	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35921	0.8
58.38131	1.0
59.01379	11.4
61.01834	0.9
61.98849	1.2
67.01890	2.0
69.03457	1.4
69.19920	1.0
69.22395	9.3
71.01382	6.0
72.99301	1.0
73.02935	4.5
75.00886	1.3
79.01881	1.2
81.03463	1.4
83.01410	1.3
83.05032	2.6
84.00012	0.8
85.02950	4.1
87.00903	3.4
89.02460	3.3
93.03452	7.7
95.01398	2.9
96.96014	2.1
97.02968	1.7
98.19831	1.8
101.02499	2.5
107.01387	10.6
111.00876	2.6
111.04534	7.6
113.02455	2.9
121.02977	1.8
121.10207	5.0
123.00887	10.1
123.01628	1.0
123.04543	1.3
123.08189	1.5
124.01693	1.6
125.02451	60.8
126.43059	0.8
135.03049	1.7
137.02444	6.7
138.05641	1.1
139.00385	4.3
140.01192	2.8
141.01884	1.0
151.00365	7.6
151.04030	1.2
155.03516	12.1
165.09225	2.0
167.03542	1.9
168.00670	2.3
169.01428	100.0
170.01826	3.7
173.04550	20.2
174.31654	0.9
179.03600	1.3
183.10249	23.5
191.05667	1.7
195.10226	1.0
209.86627	1.0
211.02528	2.7
271.04776	2.5
291.12323	1.5
307.04764	0.9
313.05731	2.2
325.05676	14.4
339.14450	2.3
343.06613	4.4
357.15387	6.0
389.11096	2.3
391.26907	5.9
447.09088	1.3
449.27975	1.5
467.28461	0.9
509.16861	90.6
509.29620	5.7
510.17383	10.1
524.68896	1.2
539.10461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19293	0.4
55.01867	0.7
58.00602	0.4
58.20762	0.5
59.01376	5.8
61.14875	0.5
67.01878	1.1
69.03446	0.7
69.39597	3.2
71.01384	4.7
72.99299	0.6
73.02934	1.8
75.00867	0.6
77.31400	0.4
79.01886	1.3
81.03513	0.6
83.01375	1.4
83.05009	1.5
85.02943	2.8
87.00883	1.6
89.02435	1.9
93.03453	2.4
95.01370	1.7
96.46735	0.5
96.96030	0.6
97.02933	0.6
98.20603	1.0
99.00891	1.1
101.02441	2.7
106.29133	0.4
107.01391	6.0
109.02952	1.1
111.00862	1.4
111.04524	2.6
113.02451	2.2
118.70301	0.4
119.03566	0.6
123.00894	13.0
123.04514	2.1
124.01646	1.4
125.02447	27.0
126.02806	0.9
127.00360	0.8
135.02968	0.6
136.98785	0.7
137.02443	1.5
138.05486	0.6
139.00378	4.1
139.04054	0.7
140.01181	2.1
141.01952	1.5
151.00374	10.6
153.01912	1.1
155.03476	2.9
164.04858	0.5
167.03464	5.0
168.00662	3.3
169.01422	44.4
170.01744	1.4
173.04550	4.0
183.10254	7.3
191.05647	0.6
191.13426	0.5
195.10158	0.5
209.04462	2.5
211.02464	5.4
223.02419	0.5
227.03609	0.5
250.59776	0.5
269.06677	1.0
271.04565	5.9
284.03198	0.9
313.05655	2.5
325.05469	3.1
343.06665	1.2
357.15594	1.4
391.27084	1.3
403.30856	0.5
446.76434	0.5
447.09384	1.2
466.97107	0.6
509.16626	100.0
510.17062	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	509.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65231	0.3
57.03439	1.0
59.01381	5.0
61.98822	1.8
62.93241	0.4
65.00322	0.8
67.01900	0.4
71.01384	2.5
71.55055	0.7
72.99287	0.6
73.02931	0.9
75.00865	1.2
81.03453	6.2
83.01387	3.2
85.02941	2.7
87.00851	0.4
88.98811	0.4
89.02423	0.5
93.03450	0.9
95.01399	0.9
95.05026	1.4
96.96038	1.9
97.02945	1.1
99.00877	0.7
99.04571	0.4
101.02429	1.1
105.03491	0.4
107.01393	2.0
107.55880	0.4
109.02961	0.6
111.00871	0.8
113.02447	1.4
121.02959	1.5
123.00892	1.8
123.04526	42.5
124.01685	0.7
124.04860	1.4
125.02448	9.5
126.02772	0.5
134.03725	0.4
135.02968	0.9
135.04477	0.8
137.02498	2.3
137.06160	0.7
138.03241	0.6
139.00395	0.4
139.04010	2.6
140.00981	0.4
140.63951	0.4
145.02917	0.5
149.02437	2.5
151.00331	1.9
151.04021	1.5
153.05527	0.8
158.74669	0.3
163.04016	1.7
165.01955	0.7
166.02710	4.6
167.03493	100.0
168.00681	1.9
168.03821	3.1
169.01390	2.9
175.00372	1.1
177.01965	0.4
179.03522	1.2
181.05075	9.9
182.02167	0.5
183.02972	5.0
183.13878	0.8
191.03496	23.3
192.03870	1.0
193.05026	0.4
197.04558	1.1
209.04538	9.2
211.02365	1.9
221.04579	1.6
225.03922	0.5
227.12862	0.9
228.13194	0.7
229.13483	0.4
233.04541	0.9
239.05588	0.9
247.84196	0.4
255.03069	0.5
262.62888	0.4
271.04630	2.5
288.29935	0.4
299.07831	1.1
300.02795	0.7
327.07190	13.6
328.07654	0.6
335.11169	0.6
341.08881	0.7
347.11703	0.5
347.15985	0.7
390.25739	1.3
391.26782	3.1
447.09274	1.6
478.16495	0.4
509.12247	7.3
509.21750	2.9
509.29523	2.6
510.13391	1.1
510.20438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1298
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
52.57251	1.1
54.57108	1.0
59.01379	10.7
65.93871	1.1
69.58661	7.7
71.01377	6.2
72.44733	1.2
72.99318	1.9
73.02937	2.3
74.92863	1.4
75.00848	2.5
75.34322	1.0
80.95579	1.1
81.58183	1.1
83.01412	1.2
85.02947	2.8
87.00840	1.7
87.32567	1.2
87.68827	1.1
89.02462	2.2
93.28156	1.1
95.01392	2.1
98.19887	2.2
101.02436	1.5
107.01395	7.0
107.05019	1.4
108.02131	1.4
111.00859	2.5
113.02435	4.6
119.05061	1.3
123.00879	9.8
123.04514	1.5
124.01637	3.2
125.02446	52.3
128.21915	1.2
135.04550	6.5
136.98813	1.7
137.02434	1.3
139.00319	4.8
140.01143	2.6
151.00360	12.2
151.03975	1.4
153.01842	2.5
167.03482	1.7
168.00630	3.7
169.01425	63.9
170.01779	2.0
183.02914	1.7
195.06613	16.4
196.06973	1.1
211.02524	1.6
271.04327	1.5
297.06244	1.3
313.05679	12.3
333.47171	1.2
377.17645	1.2
401.57626	1.1
437.43503	1.3
461.17862	1.3
491.12115	7.9
509.12909	100.0
509.21310	4.3
510.13324	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	509.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	6.9
59.25364	1.3
60.99316	11.7
61.58628	1.3
61.98818	3.4
71.01384	8.6
71.53600	2.0
71.54032	2.0
75.00845	1.9
79.01900	1.7
81.03440	1.5
82.02979	2.1
82.27428	1.4
83.01382	1.7
85.02956	5.3
87.00880	1.9
88.98809	68.3
93.03476	2.0
95.01385	2.7
97.04088	3.4
100.90442	1.6
101.02431	1.9
107.01388	3.6
108.72562	1.6
109.04079	3.7
110.86803	1.5
111.00921	2.0
113.02477	3.5
118.06631	2.5
123.00898	9.2
123.66438	1.4
125.02456	21.9
131.07083	1.7
139.00369	4.0
139.04053	2.3
140.01192	1.9
145.08786	1.5
147.04465	1.8
151.00385	10.6
164.07179	2.6
167.04596	1.6
168.00630	3.6
169.01431	24.7
173.04413	2.5
176.46109	1.5
191.05629	6.9
210.05104	4.3
211.02423	3.0
214.07028	1.6
271.04507	5.6
273.00827	1.6
317.12503	17.1
343.06787	1.7
345.12115	1.7
375.13129	13.6
379.07877	1.6
419.11957	100.0
420.12372	7.7
465.16217	6.8
509.18121	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	508.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16423	0.5
56.75056	0.5
59.01374	4.8
61.98829	26.6
62.96405	0.7
71.01370	1.6
71.05031	0.6
73.02937	1.1
78.95905	53.3
85.02946	0.8
87.00903	0.7
96.96986	0.7
97.06605	1.0
99.08165	0.6
101.02448	1.0
113.02461	1.3
113.50448	0.6
121.02959	1.4
122.00119	1.7
122.03764	0.9
123.00879	1.3
124.71806	0.6
125.02454	6.2
126.03281	0.7
137.02490	0.8
140.01196	16.5
149.02420	0.8
152.99586	10.5
153.12862	5.2
161.02461	1.4
167.03554	0.5
167.14413	1.9
169.01427	9.6
179.10809	2.1
193.15973	0.8
196.03809	13.4
197.11824	11.0
198.12077	0.9
207.17648	0.7
214.04848	2.9
223.20633	2.1
233.15347	0.7
249.18593	7.3
250.18820	0.8
267.19644	84.9
268.20013	5.9
275.16556	7.9
276.16904	1.0
293.17575	34.9
294.17941	2.6
311.18637	35.6
312.19016	2.5
341.23245	1.6
355.80804	0.6
359.28043	1.2
360.28409	1.9
370.70349	0.6
441.94992	0.7
447.17978	1.9
490.22037	1.8
508.23166	100.0
509.23666	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	508.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32913	0.5
59.01381	3.4
61.98833	8.7
62.42487	0.4
69.03442	0.6
71.01379	1.8
71.03403	0.8
71.03728	0.5
73.02913	0.5
75.00844	0.9
78.95903	51.3
81.03443	0.5
83.01593	0.5
85.02951	1.2
89.02434	0.5
96.95994	1.0
96.96944	0.9
97.06591	0.5
105.23080	0.5
107.78568	0.5
109.02967	0.8
113.02425	1.3
121.02997	1.1
122.00129	1.8
122.03719	0.9
123.04529	0.5
124.01648	0.8
125.02441	4.9
128.37373	0.4
136.05283	0.6
137.02393	1.1
140.01195	16.8
151.00322	0.7
151.71039	0.6
152.99583	9.7
153.12851	1.1
154.99837	0.4
161.02472	1.0
167.03534	1.1
167.14377	2.1
168.04149	0.6
169.01424	6.7
179.10777	1.1
193.16011	0.8
196.03790	13.8
197.11804	3.3
205.05095	0.6
207.17532	1.0
213.14984	0.6
214.04861	3.1
223.20673	2.3
231.17470	0.8
249.18573	7.7
250.18817	0.6
267.19641	87.0
268.20035	5.7
275.16489	8.5
276.16885	0.8
278.42993	0.4
292.12253	0.6
293.17566	32.0
294.17868	2.6
296.06891	0.5
311.18640	33.4
312.19083	2.7
313.40887	0.5
317.02808	0.6
341.23264	1.2
359.28073	0.8
360.28308	2.5
432.15738	0.6
447.17822	1.5
476.17615	0.5
490.22293	2.1
508.23178	100.0
509.23792	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	508.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.6
58.71870	1.2
59.01380	24.0
61.98830	72.0
64.47234	1.1
64.86203	1.1
69.03465	1.8
69.22325	7.8
69.22752	3.9
71.01383	9.8
72.99315	1.4
73.02940	5.9
75.00880	1.4
78.95900	53.1
81.03451	1.4
81.72171	1.1
83.01395	2.0
85.02950	3.6
87.00887	1.8
89.02453	5.0
95.01393	1.5
96.96002	2.0
96.96986	1.1
97.06600	3.0
98.20747	1.8
101.02455	10.8
103.04008	2.9
109.30228	1.1
113.02435	3.5
119.03504	2.3
121.02961	1.8
122.00089	2.3
123.00867	2.4
125.02442	13.9
131.03505	1.9
137.02412	1.9
137.09708	1.4
138.03139	1.1
140.01192	14.5
143.03476	2.0
152.99600	9.4
153.12862	17.3
161.02411	3.9
163.06140	8.8
165.85201	1.1
166.02652	1.3
167.03491	2.6
167.14439	1.7
168.03650	1.4
169.01402	19.1
179.10742	5.0
193.12209	1.1
196.03784	12.9
197.11823	30.1
198.12196	2.5
205.07185	3.6
211.02507	2.3
214.04843	3.2
223.20811	1.2
223.81657	1.2
225.15050	1.9
233.15417	1.3
249.18555	6.9
250.18871	1.2
267.19635	76.9
268.19989	4.4
271.04651	2.7
275.16495	7.6
293.17572	31.3
294.17914	1.6
311.18610	33.6
312.18948	2.7
341.23337	4.8
360.28061	1.1
376.93402	1.3
400.82788	1.3
449.24402	2.7
508.23135	100.0
509.23743	8.4
526.04266	1.2
531.22357	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	508.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86090	1.3
55.08380	1.4
59.01379	53.2
61.98829	67.9
70.81249	1.7
70.81592	3.4
71.01385	18.4
72.99303	3.4
73.02947	13.6
75.00857	2.1
75.99100	1.6
78.95905	61.5
81.03436	1.9
83.01380	2.9
85.02966	9.5
87.00861	5.4
87.04528	2.4
89.02457	14.7
95.01392	2.7
96.96014	3.1
99.82611	1.6
101.02455	26.1
103.04015	9.1
109.02950	2.0
113.02451	7.3
115.04028	3.3
119.03488	4.8
123.00860	3.1
124.01656	2.2
125.02453	18.7
131.03505	4.3
135.95149	1.6
137.02426	4.5
139.03969	2.2
140.01169	14.0
143.03499	5.3
145.05112	3.2
151.00334	2.4
152.99603	11.2
153.12863	16.3
161.02423	6.3
163.06140	32.3
166.02690	1.7
167.03500	4.7
169.01431	29.7
170.01804	1.8
177.01746	1.8
179.10725	5.2
196.03792	14.5
197.11824	27.6
205.07173	11.9
214.04865	5.2
225.14957	1.5
249.18536	5.7
265.09341	2.3
267.19644	87.3
268.19962	4.8
275.16470	7.5
293.17596	35.0
293.20627	3.1
294.17819	2.0
311.18686	31.2
319.04276	1.9
341.23401	9.0
359.27972	5.8
360.28540	4.2
430.29541	1.7
449.24030	7.3
508.23166	100.0
509.24500	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	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49593	0.5
59.01369	0.8
61.11686	0.6
62.14759	0.6
71.23275	0.7
71.23625	1.0
78.95901	22.2
83.59078	0.5
88.39708	0.5
94.63549	0.5
96.96001	0.8
96.96951	1.8
140.44574	0.6
152.99585	36.6
166.75575	0.5
171.00618	1.8
225.22551	0.6
227.03207	5.3
229.60004	0.5
245.04259	2.9
261.22424	1.0
279.23273	100.0
280.23642	7.1
325.52826	0.7
415.22049	0.8
507.27243	55.2
508.27786	6.0
508.56696	0.6
534.74048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86096	0.4
59.01406	0.6
61.98829	0.8
71.15616	1.0
78.95901	20.2
96.96022	0.9
96.96956	1.8
125.69638	0.4
152.99582	31.6
171.00630	1.2
176.89459	0.5
213.42824	0.5
217.32108	0.5
227.03256	5.2
245.04282	1.4
279.23270	100.0
280.23596	7.1
282.25183	0.8
409.42926	0.5
415.22687	0.6
507.27228	47.3
508.27652	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03355	1.3
59.01287	3.9
59.01605	0.6
61.98737	1.1
69.03352	0.8
69.25759	2.1
69.26169	0.4
71.01276	1.7
71.09579	0.3
73.02841	1.0
74.20525	0.2
75.00774	0.5
75.34916	0.3
82.04771	0.2
83.01286	0.3
85.02847	1.3
87.00790	0.5
87.04400	0.8
89.02345	0.8
93.03355	1.0
95.01262	0.3
96.95885	0.9
97.02863	0.3
97.06514	0.6
98.20598	0.4
99.00815	0.3
101.02435	1.4
103.03903	0.3
107.01309	0.6
109.06491	0.5
111.00793	0.4
111.08077	0.3
113.02334	0.9
113.09617	0.4
121.02956	4.2
123.00739	0.8
123.08023	0.8
123.61643	0.3
124.01589	0.6
125.02446	3.3
131.03384	0.5
135.04440	0.3
135.08020	0.7
136.01447	0.2
137.02428	1.9
138.06754	0.3
139.00282	0.4
139.11203	0.7
141.09111	0.3
141.12735	0.6
143.03354	0.3
151.00218	0.8
153.09074	0.8
157.12294	1.7
161.02368	0.4
163.03818	0.3
163.05994	1.0
165.12688	0.3
168.00578	0.6
169.01422	3.8
169.12395	1.3
179.03378	0.3
183.13712	0.3
185.11836	2.1
193.01329	0.8
197.99078	0.3
198.99867	0.4
205.07042	0.5
209.04395	0.3
211.02342	0.7
215.12915	1.6
239.05510	0.4
241.14510	1.4
251.20230	0.4
265.31790	0.3
271.04562	1.3
311.22266	0.6
313.05569	1.0
327.21613	0.7
327.25278	0.6
329.23294	2.9
339.25458	0.5
355.13434	0.4
355.24792	0.5
357.26440	4.0
358.27032	0.3
373.25891	3.1
374.26202	0.3
375.27496	100.0
376.27847	9.7
451.77139	0.3
507.08395	2.3
507.15372	1.5
507.22302	0.8
507.31906	16.0
508.23837	0.3
508.32007	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06481	1.3
53.26130	1.4
57.03447	3.2
59.01381	100.0
59.70431	1.4
61.98825	5.7
69.45595	10.9
71.01382	19.7
72.99312	3.6
73.02945	37.7
75.00859	6.2
83.01392	3.4
85.02959	10.5
87.00890	4.3
89.02452	5.5
93.03473	2.1
96.95972	2.6
97.06596	1.9
99.00857	4.5
99.04512	2.4
101.02446	9.8
107.01419	2.4
111.08108	1.7
113.02435	10.6
121.02938	2.3
121.06604	2.3
123.00886	2.8
123.08130	1.7
124.01595	1.8
125.02450	14.2
127.07603	1.5
128.37209	1.6
135.02980	8.4
135.04611	1.6
137.02441	8.1
137.09764	1.9
139.07669	3.6
139.11284	3.5
151.00412	2.6
155.10745	2.9
156.33549	1.6
157.08701	3.8
161.04594	4.1
167.03375	1.7
168.00641	2.7
169.01434	17.2
173.04601	2.3
181.12401	2.1
183.10291	5.1
183.13852	1.8
185.11809	1.5
207.13820	2.9
209.11807	4.5
211.02556	5.0
215.12845	2.4
225.14970	5.0
227.12901	35.9
237.09804	9.5
239.20769	1.6
249.06044	2.2
258.90222	1.6
269.13898	2.1
271.04581	10.4
277.33347	1.9
279.10800	2.7
297.20651	3.0
313.05557	2.2
359.24170	2.5
371.24432	4.1
389.25443	74.3
390.25720	5.1
445.17282	2.5
463.12827	2.1
489.23114	12.5
507.11514	3.6
507.24292	68.5
508.23938	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	507.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60156	2.1
57.03432	6.2
59.01380	38.0
61.42389	2.0
61.98824	7.5
69.20524	20.6
69.20866	3.4
71.01388	17.4
71.42651	1.8
72.99317	2.5
73.02955	8.0
75.00878	15.9
83.01383	2.0
85.02957	8.6
87.00882	4.2
87.04534	4.5
88.17950	2.0
89.02446	8.7
93.03458	8.1
95.01385	3.0
95.05014	1.9
96.96001	6.4
99.00885	3.3
101.02456	10.7
107.01389	2.5
109.02968	4.3
111.08191	3.8
113.02456	8.0
117.01928	2.4
119.03510	3.1
121.02961	6.8
123.00889	5.3
123.04536	2.9
125.02446	21.4
127.24030	2.0
133.02901	2.1
134.03702	3.4
135.03000	47.9
135.04082	2.8
135.04518	3.1
135.63184	1.9
136.01726	1.8
137.02467	13.1
137.09729	2.6
139.11368	2.7
149.02437	28.2
150.03210	4.4
151.00343	2.4
152.01277	2.3
152.03435	2.2
160.05423	1.8
162.03154	2.2
163.04024	3.8
164.04781	5.9
165.12839	38.5
167.03484	2.5
168.00621	5.6
169.01414	21.2
177.01987	2.1
179.03525	3.2
183.13898	99.1
183.23598	2.1
184.14270	3.9
185.11826	9.9
207.13766	3.7
209.11766	2.4
211.02469	14.2
211.16913	2.2
214.12100	2.3
227.12878	100.0
228.13252	5.6
239.05862	2.1
243.15994	8.1
251.12856	4.8
258.93335	2.1
271.04590	35.3
297.11346	5.8
313.05606	3.3
327.14609	2.9
330.03812	5.8
331.06757	4.9
345.06186	6.0
345.15536	45.7
345.22595	4.8
359.24496	6.9
371.24432	7.2
375.27530	4.9
389.18021	4.7
389.25461	84.3
390.25464	5.4
433.15991	2.5
447.26312	2.0
465.26672	3.1
477.19284	14.3
478.19742	3.3
492.18011	4.5
494.57953	2.6
501.89581	2.4
507.20477	68.4
507.28159	65.1
508.20053	8.6
508.28320	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	507.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73723	1.5
58.84663	1.6
59.01365	1.9
70.91200	2.3
70.91541	3.2
71.01391	2.1
75.00871	10.5
87.00871	17.5
99.00877	2.9
102.73871	1.5
105.01934	19.7
129.01888	1.8
147.03017	4.0
164.73909	1.8
165.04031	100.0
166.01790	2.6
277.24731	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	507.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71209	0.4
59.01381	6.4
67.01894	0.6
69.03450	1.2
69.61699	2.9
70.45091	0.4
71.01381	5.5
72.99301	0.9
73.02950	1.2
78.95920	0.4
79.01892	1.0
83.01388	1.3
85.02956	3.6
87.00868	0.7
89.02420	3.1
95.01398	2.6
96.96947	0.6
97.02941	1.4
98.19901	0.8
99.00900	0.8
101.02440	3.9
107.01380	5.3
111.00877	1.6
113.02441	2.2
119.03499	1.0
121.02929	0.5
123.00886	11.8
124.01678	0.8
125.02452	23.8
126.02789	0.6
127.00348	0.5
134.04556	0.5
136.98813	0.8
137.02438	0.6
139.00381	4.2
140.01160	2.4
141.01910	1.5
151.00363	7.6
153.01968	0.7
161.04588	2.9
163.04071	0.6
167.03500	0.7
168.00670	3.7
169.01427	33.0
170.01759	1.0
179.03409	0.4
183.02937	0.4
184.44170	0.4
191.05603	0.8
193.07173	2.9
194.56561	0.4
211.02451	9.2
212.02907	0.6
253.03793	0.5
271.04593	13.9
272.05048	0.9
313.05597	3.4
331.06668	1.1
341.10660	0.6
467.72882	0.5
507.13510	100.0
508.13815	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	507.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.6
69.52063	5.4
69.52479	4.0
71.01390	11.6
71.12130	1.0
74.84785	1.5
75.00883	6.4
79.01861	1.4
82.71934	1.1
85.02945	7.4
87.00871	3.3
89.02425	2.9
93.17841	1.1
95.01385	2.9
97.02934	1.9
98.19902	2.4
99.00902	2.2
101.02444	2.9
107.01391	9.0
111.00888	1.5
113.02462	7.9
121.02914	2.1
123.00897	8.3
124.01676	1.8
125.02448	53.2
134.03738	21.9
135.04517	3.1
137.02446	3.5
139.00366	3.2
139.03987	1.7
149.06033	8.9
151.00359	4.6
168.00565	1.7
169.01428	68.3
170.01753	2.5
175.02458	1.9
177.01976	1.2
178.02689	16.3
179.03377	3.1
193.05061	23.5
312.10440	1.2
313.05649	43.4
313.09326	2.2
314.05878	2.8
315.12366	1.9
327.12384	3.9
463.12506	3.9
507.11340	100.0
507.20551	24.9
508.11575	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	507.1142
Annotation	Moghanin A
Peak:m/z	Relative Intensity
57.03442	1.1
59.01385	6.8
61.98825	2.6
67.01860	0.8
69.03447	1.6
71.01382	5.8
72.99316	1.6
73.02949	1.3
75.00867	1.4
76.61007	0.9
79.01887	1.2
83.01395	0.9
85.02950	3.9
87.00873	1.8
89.02436	1.2
89.27227	0.8
95.01429	1.4
96.38056	0.7
96.96014	1.7
97.02937	1.1
99.00884	1.6
101.02422	3.0
107.01405	10.5
108.83577	0.8
111.00871	1.8
111.04510	1.3
113.02443	2.7
121.02924	0.9
123.00883	9.0
123.04519	1.3
124.01678	1.4
125.02446	60.2
126.02723	1.5
134.02724	1.5
134.03735	25.2
135.03003	0.9
135.04510	3.5
136.98843	1.8
137.02425	5.1
139.00385	6.0
139.04019	1.0
140.01161	3.7
141.01889	0.9
149.06100	9.5
149.31549	0.8
150.03195	1.7
151.00346	8.2
155.03415	1.1
161.02501	0.9
168.00655	4.0
169.01419	83.9
170.01768	2.9
173.04555	1.6
175.03937	0.9
177.02002	0.8
178.02690	15.7
179.03456	2.5
181.05052	3.4
183.02919	2.2
193.01471	1.2
193.05049	26.0
193.06776	1.8
194.05305	1.1
211.02454	2.0
241.03421	1.2
253.03537	1.0
262.32266	0.9
271.04614	1.1
310.60983	0.8
313.05649	24.7
314.06012	1.5
325.05688	2.5
355.10297	1.9
438.29529	0.9
445.17355	1.3
463.12589	13.7
489.10529	2.8
507.11417	100.0
507.20358	4.5
508.11676	10.2
508.22418	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08258	40.6
51.21148	39.4
71.52240	58.4
89.48136	36.8
94.06995	37.0
96.95996	100.0
149.47113	43.7
166.84744	40.0
329.48157	42.1
506.35464	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22280	1.3
52.56926	1.2
52.69995	1.3
53.17197	1.3
61.98831	100.0
66.04436	1.2
69.81337	3.2
69.81749	4.1
75.93140	1.3
77.17255	1.1
81.15173	1.2
96.95995	2.2
149.55905	1.3
152.99586	1.8
185.02129	1.7
324.17746	1.6
514.58716	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.077
Annotation	Patuletin 3-glucuronide
Peak:m/z	Relative Intensity
57.03448	1.0
59.01376	5.3
60.32682	0.4
61.44157	0.4
69.17846	5.1
71.01382	11.3
71.36986	0.4
72.99321	0.9
73.02956	0.7
75.00877	1.2
83.01360	0.6
85.02943	4.5
95.01392	1.6
96.95994	0.6
98.54183	0.5
99.00901	2.1
103.00387	1.8
107.01410	1.2
111.00894	0.5
113.02457	6.5
115.00380	0.9
117.01910	0.5
124.01687	1.7
125.02451	1.0
135.00928	0.7
136.01727	1.2
139.00307	0.6
139.07634	0.5
151.00345	6.0
151.04005	0.7
152.01144	2.1
152.22186	0.4
155.10835	0.6
163.00372	2.2
164.01189	3.5
169.01367	0.8
171.04532	0.5
175.02460	5.1
178.99847	6.3
191.54471	0.5
192.00600	0.7
193.01396	0.6
203.03534	0.7
204.04224	0.8
208.78076	0.4
214.02759	4.0
215.03352	0.8
227.03427	0.5
232.03798	0.7
242.02209	3.7
243.02939	2.5
249.06242	0.9
257.13885	0.7
259.02448	5.0
260.03214	0.9
267.07089	1.4
270.01669	5.5
271.02448	28.7
272.02881	1.9
281.00775	0.5
287.01981	16.7
288.02554	2.2
315.01340	0.8
316.02219	100.0
317.02533	7.7
331.04575	94.7
332.04889	6.9
507.07635	9.6
507.20569	1.8
508.07767	0.9
522.45209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65466	0.9
55.01870	4.0
57.03438	5.0
58.00591	1.5
59.01378	22.7
61.98823	4.7
69.03490	1.2
69.75753	6.2
71.01381	35.6
72.99316	3.1
73.02944	14.3
78.95903	19.1
83.01369	8.4
85.02958	21.2
86.00122	1.1
87.00880	2.8
89.02444	3.5
93.03479	1.3
95.01389	4.8
96.61665	1.0
96.96014	1.2
96.96971	1.9
97.02928	1.7
99.00866	6.4
101.02441	32.0
102.16233	1.1
104.57912	1.1
111.00868	6.5
113.02443	12.8
119.03475	2.2
125.02431	5.8
129.01974	1.2
137.02441	2.1
143.03465	1.3
149.13344	1.4
152.99602	2.4
157.12370	3.4
159.02986	5.0
161.04538	9.5
169.01453	6.2
170.01859	1.1
171.00691	2.5
179.10764	1.7
274.60825	1.0
291.19772	1.2
299.76086	1.2
309.20752	1.5
319.17404	1.4
343.28546	10.3
357.26248	4.3
420.79309	1.1
475.32999	2.3
487.33078	1.6
505.19540	4.1
505.33905	100.0
506.25339	14.9
506.34201	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	505.3016
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
57.03445	2.0
59.01102	1.0
59.01381	10.8
59.39328	0.9
61.79930	0.8
69.03473	1.0
71.01380	13.9
72.99304	5.1
73.02945	1.1
75.00872	15.5
85.02946	18.6
87.00854	7.3
89.02436	2.5
95.01373	4.4
95.57572	1.0
96.96027	1.5
99.00887	9.3
103.00363	1.7
109.02940	0.9
111.00874	1.4
113.02448	23.9
115.00392	1.5
116.07966	0.9
117.01921	2.8
129.01915	1.5
157.01398	0.9
165.27660	0.9
175.02422	2.8
205.07016	1.1
231.05074	2.4
249.03734	1.7
249.06140	18.8
255.23277	100.0
256.23618	6.9
267.07309	4.3
275.50635	0.8
279.23187	1.7
280.26331	0.8
487.29254	3.4
505.30157	96.7
506.30402	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	505.2573
Annotation	Amoritin
Peak:m/z	Relative Intensity
52.32769	1.0
59.01363	2.6
61.98802	1.1
69.48341	4.4
69.48745	2.1
78.95475	2.0
78.95902	27.2
96.96954	1.7
98.20638	2.0
152.99586	37.5
171.00633	2.7
215.81036	1.0
227.03273	6.2
245.04198	2.9
277.21701	100.0
278.21921	7.6
297.09109	1.0
373.74152	1.1
413.20715	1.7
505.25699	61.4
506.25763	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	505.3016
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
55.01889	1.1
56.75506	0.9
57.03447	3.0
57.60420	0.9
59.01374	12.4
69.03466	2.0
69.47572	8.1
71.01376	15.5
72.99304	4.6
73.02937	1.1
75.00865	16.7
82.64314	1.0
83.01364	1.6
85.02944	22.5
86.79012	1.0
87.00854	7.5
89.02431	5.2
95.01385	5.3
99.00871	10.9
103.00366	3.8
111.00890	1.4
113.02448	31.0
115.00350	1.6
117.01917	1.7
123.62803	1.1
129.01924	1.4
157.01357	2.0
163.59282	1.0
175.02475	3.3
205.07188	3.0
231.05132	1.1
247.92145	1.3
249.06195	9.1
255.23283	89.8
256.23627	4.2
267.07196	6.9
451.99881	1.1
487.28757	2.5
505.30148	100.0
506.30499	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	505.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86704	1.2
57.03431	2.2
57.09365	1.1
59.01379	91.5
61.98845	1.5
63.88105	1.1
69.40172	9.8
71.01364	3.2
73.02950	13.6
75.00862	2.0
84.27081	1.3
85.02897	2.0
89.02459	1.8
93.03464	1.6
98.19897	2.8
99.04512	1.3
101.02433	1.5
103.00340	2.2
119.05054	10.3
125.02425	3.2
137.02470	1.9
149.04497	4.9
161.02455	2.0
163.03963	5.5
165.03995	1.7
165.12874	2.3
169.01378	2.3
177.05531	1.5
181.12360	1.5
183.02768	1.3
207.13841	3.5
209.11810	2.9
224.63184	1.4
225.11279	4.0
225.14967	100.0
226.15279	5.2
227.12791	2.5
243.65501	1.3
255.09016	1.3
269.13968	28.9
287.15002	2.4
305.63882	1.3
327.07141	3.8
329.16034	29.1
330.16547	1.5
341.08731	2.4
387.19510	1.7
387.23965	19.2
388.24326	1.4
461.20425	6.9
462.20572	1.6
505.19986	2.5
505.26712	10.1
506.26773	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	505.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11560	1.0
55.01876	1.8
57.01018	1.0
57.03447	2.4
58.00602	1.4
59.01105	1.8
59.01383	31.7
59.17807	1.2
61.19179	1.2
61.98806	2.7
65.10726	1.1
68.99804	1.2
69.26184	3.0
69.26595	7.7
71.01379	16.4
72.99304	2.5
73.02953	6.9
75.00864	2.4
83.01381	2.1
83.05024	2.5
85.02950	9.7
87.00861	2.2
89.02444	5.5
92.02697	1.8
92.51359	1.3
93.03465	41.6
95.01395	2.8
96.95999	2.2
97.02995	1.8
99.00887	2.2
101.02425	9.6
107.05031	2.9
108.02178	3.2
109.02924	1.7
113.02448	7.1
117.03431	1.7
119.03560	1.4
121.02934	1.8
121.06590	2.0
123.00956	1.3
125.02458	13.9
135.04524	3.6
136.01645	13.9
136.07706	1.7
136.41982	1.3
137.02449	100.0
137.09735	17.1
138.02768	2.5
139.03987	1.1
140.44403	1.2
145.02922	4.5
147.49121	1.3
147.80136	1.3
149.02422	4.4
151.00392	1.9
151.03967	7.9
153.09297	1.4
157.08702	3.2
161.02507	1.9
163.03964	1.6
163.11223	2.2
165.01953	1.3
167.03490	1.9
169.01421	8.3
171.10362	2.1
177.01941	1.7
179.03497	73.0
180.03807	2.6
185.11765	3.5
197.04491	1.5
201.11234	1.9
205.04990	3.2
205.12317	3.8
209.02739	1.5
209.04570	22.5
215.12741	2.1
220.55934	1.2
239.05609	86.4
240.05905	4.1
241.14349	1.9
243.15993	21.8
250.61786	1.1
281.06650	5.0
299.07739	19.5
301.20026	1.5
307.46191	1.2
325.23810	1.4
327.21768	2.6
343.21191	1.6
343.24979	1.2
357.14960	1.2
369.22998	2.8
373.25919	5.2
387.23892	16.4
432.39551	1.3
445.24417	3.8
463.25552	7.5
505.20428	14.9
505.26614	37.2
506.26901	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	505.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.21045	0.4
60.01719	0.8
61.98824	1.0
70.73990	0.9
70.74323	0.5
71.01382	5.5
73.02980	0.8
78.95904	0.8
83.01411	0.6
85.02946	2.1
89.02443	2.7
96.95983	0.6
99.00879	0.5
101.02427	3.5
113.02457	2.0
119.03532	1.4
121.02959	1.3
125.02462	0.7
143.03494	0.4
151.86070	0.4
161.04579	1.3
183.13937	0.5
209.11909	0.6
343.28625	1.2
401.08923	1.3
505.33896	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	505.0988
Annotation	4-O-Galloylchlorogenic acid
Peak:m/z	Relative Intensity
57.03455	0.7
59.01380	4.7
59.59691	0.5
60.99302	0.5
61.98825	1.1
67.01907	1.3
69.03454	1.8
69.60482	1.7
69.60907	2.1
71.01374	2.1
72.81949	0.6
73.02943	0.6
81.03465	1.5
83.05042	1.7
85.02958	2.3
87.00878	2.1
88.98814	1.0
89.02482	0.7
90.35845	0.5
93.03456	11.6
95.01369	0.8
96.96004	1.5
98.19888	1.0
99.04523	0.8
101.02434	0.5
107.01376	6.0
107.04990	0.5
109.02955	1.1
111.00874	1.4
111.04512	5.9
113.02469	1.4
123.00879	1.1
125.02444	57.4
126.02766	1.1
127.03950	1.2
133.02954	3.3
134.03719	1.4
135.04532	13.2
137.02446	4.7
139.00351	0.7
140.01195	0.8
143.03479	0.6
155.03496	9.5
161.02440	9.2
162.02797	0.6
167.03429	0.7
168.00600	0.6
169.01419	100.0
170.01778	3.8
173.04538	25.0
174.04889	0.8
179.03494	9.7
191.05606	23.4
191.07347	1.4
192.05948	0.9
193.01491	0.9
209.08209	1.5
211.02518	0.7
241.14427	1.0
291.05295	0.6
325.05661	8.2
326.06311	0.6
335.07764	5.4
343.06671	39.8
344.06915	2.9
350.85883	0.5
353.08881	4.1
443.11594	0.7
487.08676	0.9
505.09833	43.7
506.10165	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	505.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97775	0.9
54.20482	1.0
59.01371	2.7
61.98837	2.3
71.01162	1.5
104.72957	1.2
113.86138	1.1
121.02961	100.0
122.03271	1.8
133.32782	1.2
181.06577	3.8
197.06084	2.7
207.77065	1.2
225.05565	2.4
268.38245	1.4
304.46609	1.2
313.07120	4.9
358.08951	1.2
383.07938	1.3
417.09647	9.5
418.10004	1.3
419.42758	1.1
420.22488	1.2
505.11139	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57276	0.2
57.03432	0.4
59.01385	3.2
61.98826	0.6
63.02396	1.2
63.02694	0.2
65.00320	1.2
69.26102	2.0
71.01389	0.7
72.99301	0.3
73.02940	0.6
83.01368	1.4
85.02967	0.3
87.00906	0.3
89.02447	0.6
91.01885	0.5
93.03448	0.3
95.01428	0.3
101.02457	0.5
107.01399	3.2
108.02152	1.7
109.02975	2.0
111.00885	0.2
113.02468	0.6
119.01316	0.3
120.40414	0.3
121.02966	2.0
123.00885	0.6
124.01621	0.3
125.02448	3.2
126.02827	0.5
129.01579	0.3
134.26811	0.3
135.00868	1.4
137.02512	0.4
139.04016	0.5
145.02962	0.4
147.00935	0.4
148.01668	1.4
151.00368	11.2
152.00694	0.4
159.04539	0.5
163.00374	3.3
164.01166	1.0
167.03572	0.4
167.05006	0.3
169.01453	2.3
170.01765	0.4
171.04546	0.5
175.03995	0.4
177.01947	0.4
178.99873	4.9
179.03557	0.4
180.00343	0.3
183.04410	0.3
185.06285	0.3
187.03972	0.6
190.99907	0.3
192.00603	0.4
193.01450	0.5
193.07361	0.3
195.04785	0.3
198.03154	0.5
199.03978	1.5
201.01993	0.4
203.03488	0.8
211.04041	1.3
215.03444	0.7
216.04256	0.3
226.02708	1.7
227.03477	4.4
228.03952	0.4
229.04984	0.5
243.02972	13.8
244.03394	1.1
245.04562	1.3
254.02284	2.0
255.02975	30.5
256.03323	2.2
271.02463	62.9
272.02951	5.5
273.04025	1.2
283.02353	1.3
289.07144	0.5
290.07404	0.4
299.02069	1.4
299.05231	0.3
300.02740	100.0
301.03458	45.3
302.03864	3.0
343.04590	0.5
382.82736	0.3
385.12634	0.3
442.09003	0.4
445.07959	0.3
463.08810	4.1
464.09613	0.3
505.09869	61.7
506.10101	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	505.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.0
61.98823	1.0
63.02378	0.6
65.00317	1.4
69.99440	0.9
69.99837	0.6
71.01386	1.4
73.02926	0.6
83.01392	1.3
85.02947	0.4
87.00910	0.4
89.02438	0.9
91.01900	0.4
93.03487	0.5
95.01387	0.4
96.96007	0.4
101.02439	0.8
102.64214	0.4
107.01402	2.6
108.02176	1.8
109.02931	1.6
113.02492	0.5
119.01389	0.4
121.02953	2.0
124.01636	0.5
125.02452	3.1
126.02723	0.6
128.31181	0.3
135.00870	0.9
137.02432	0.6
139.00348	0.3
139.04054	0.4
148.01665	1.6
149.02356	0.5
151.00363	10.4
153.01862	0.5
159.04459	0.6
163.00378	2.5
164.01135	0.8
167.03481	0.4
167.04985	0.3
169.01436	3.1
170.01755	0.9
175.03970	0.7
177.01930	0.5
178.99866	5.4
180.00050	0.4
183.04459	0.8
187.04004	0.5
198.03300	0.7
199.03966	1.1
201.01996	0.4
201.05589	0.5
203.03491	0.6
211.04005	1.2
213.01961	0.5
215.03522	0.6
216.04227	0.6
226.02679	1.1
227.03505	3.9
229.04968	0.8
243.02986	12.3
244.03416	0.7
245.04517	1.1
254.02190	2.3
255.02969	30.2
256.03391	2.0
271.02469	65.6
272.02921	5.4
273.03992	1.1
283.02368	1.2
285.03946	0.5
289.06995	0.4
290.07422	0.6
299.01984	1.1
300.02750	100.0
301.03473	42.0
302.03714	2.0
306.96878	0.4
343.04459	0.6
442.08371	0.9
463.08878	3.0
498.82162	0.4
505.09860	61.7
506.10181	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	504.0008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09831	0.8
53.87223	0.8
59.01380	31.0
60.01711	1.3
61.01789	0.7
61.98831	100.0
70.65322	0.8
71.51678	1.0
78.95912	1.0
85.02945	1.1
96.96008	2.5
99.53689	0.8
111.02036	1.3
120.75125	0.8
122.55747	0.9
129.55844	0.7
136.94063	1.2
165.05545	0.9
174.99245	5.4
175.99548	1.1
178.94994	0.9
201.02579	4.0
202.02728	4.5
203.02368	4.0
203.99957	7.5
213.78365	0.9
217.00294	27.6
217.03442	1.6
218.00623	7.6
219.00548	1.4
219.97748	56.0
220.97810	1.2
220.99619	2.5
250.58383	0.8
251.94365	1.2
252.92068	3.2
253.92094	4.0
254.91821	1.6
292.95197	2.3
293.95377	4.0
294.92886	6.2
295.93283	11.2
296.92911	5.9
313.92096	1.1
336.94205	11.6
337.94327	18.2
338.94016	9.7
349.38232	0.9
354.92059	0.9
359.01495	2.0
360.01730	7.9
361.01212	8.5
361.98639	22.5
363.00848	1.9
378.95407	2.2
379.95554	5.5
380.95004	2.0
395.93381	1.1
412.07718	1.8
419.93384	4.5
420.93231	3.0
437.94333	1.2
443.98065	1.2
461.94406	4.6
462.94321	3.3
482.24457	0.9
503.95505	39.7
504.95297	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.6
57.03456	0.9
59.01377	10.2
60.99287	0.7
61.98824	6.5
63.02406	0.7
65.00298	1.3
69.03436	1.0
71.01391	5.9
71.56094	1.3
73.02946	1.4
75.94391	0.5
77.86294	0.5
81.03482	1.2
83.01388	2.3
85.02943	2.3
87.00864	0.6
88.98817	1.3
89.02443	6.6
93.03444	1.0
95.01337	0.9
95.04996	0.6
96.96017	1.0
97.02930	1.7
99.00878	2.2
101.02437	3.1
106.06596	1.0
107.01381	2.9
108.02174	2.2
109.02987	4.2
111.00890	1.0
113.02435	2.6
115.00304	0.7
120.01289	0.8
121.02938	2.1
123.00893	0.8
123.04527	2.0
125.02444	25.0
126.02753	0.8
131.03458	0.8
135.00894	1.4
137.02443	3.0
139.03966	0.7
145.02916	0.9
148.01653	1.9
149.02460	1.3
149.04546	3.8
150.05667	0.7
151.00378	10.7
151.03999	1.7
151.48001	0.5
156.15543	0.6
161.06076	1.2
163.00401	2.9
164.01158	1.2
165.01866	1.3
168.00604	0.8
169.01422	42.1
170.01767	1.5
175.03949	0.7
177.01886	0.9
178.99834	4.3
179.03479	1.3
187.04051	1.0
190.99725	0.6
191.05615	1.1
192.00648	0.6
193.01376	1.9
198.03300	0.7
199.04005	1.1
203.07147	1.4
205.05022	1.1
211.04054	1.6
215.03450	1.0
226.02745	1.5
227.03470	3.0
243.02956	10.2
245.04565	1.4
245.08185	2.8
253.04955	0.7
254.02151	3.2
255.02994	29.3
271.02460	62.3
272.03238	1.6
273.04019	0.8
283.02579	1.2
289.07172	12.1
290.07358	0.8
299.01938	1.1
300.02740	100.0
301.03528	39.2
303.05219	0.8
326.32874	0.6
331.04553	1.2
348.75507	0.6
414.11334	1.1
432.43018	0.6
441.08197	11.0
463.08899	3.6
492.28766	0.8
503.21115	0.6
504.17743	0.7
504.21954	1.4
504.28418	2.0
505.09872	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.3
57.03458	3.8
58.00587	0.8
59.01383	29.2
60.01691	1.0
61.98823	2.0
69.03456	1.5
71.01385	45.2
71.05034	0.9
71.55853	0.7
72.99310	2.4
73.02945	17.6
73.53046	0.7
75.00866	1.5
83.01390	12.0
84.36673	0.7
85.02445	1.6
85.02957	27.8
86.00095	1.1
87.00871	3.0
89.02464	3.4
92.36976	0.7
95.01385	4.1
96.96027	1.1
97.02938	1.8
99.00885	7.2
101.02446	40.7
102.02825	0.7
111.00874	7.7
111.08212	0.8
113.02451	15.3
119.03519	1.0
121.10226	1.1
123.00811	1.4
125.02461	3.2
126.80316	0.7
129.01944	2.1
131.03535	1.0
131.89677	0.7
141.01974	0.8
143.03519	1.9
158.69452	0.8
159.03041	4.8
161.04552	12.8
169.01375	2.3
171.13933	1.4
179.05632	0.7
194.67628	0.8
223.16962	3.9
267.16306	1.3
281.24820	2.3
305.24887	2.3
311.18686	1.1
311.25916	1.7
337.35614	0.7
341.26950	12.4
355.24753	3.6
467.30164	4.8
468.30161	0.8
473.31009	2.3
485.31354	2.2
503.32266	100.0
504.32584	11.6
505.42215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
61.98830	0.7
66.86173	0.3
70.26219	0.3
71.01373	0.6
72.99301	0.4
73.84417	0.3
85.02939	0.5
91.92636	0.3
93.03483	0.3
95.01355	0.3
96.96024	0.4
101.02427	0.3
107.05030	0.6
109.02957	0.7
113.02445	0.5
125.02441	1.0
133.02908	0.4
134.03725	1.8
135.04523	89.4
136.04861	3.2
153.09190	0.8
161.02432	0.7
169.01416	0.8
177.02049	0.4
179.03491	100.0
180.03838	4.1
186.54791	0.4
188.46327	0.3
255.12410	1.2
315.13733	0.3
341.08746	48.1
342.09164	3.2
457.45084	0.4
458.31076	0.4
489.04568	0.4
503.13977	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	503.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	1.6
67.83980	1.3
69.34051	1.4
78.95901	43.4
88.20589	1.4
96.95972	1.4
96.96976	2.2
98.20652	3.8
123.07589	1.5
152.99582	58.0
157.00287	1.4
171.00623	18.0
182.48291	1.4
185.13118	1.5
205.88129	1.3
219.86125	1.4
227.03087	2.2
231.21155	39.1
232.21582	1.9
245.04292	100.0
246.04642	2.8
275.20169	45.0
276.20422	3.6
503.24167	23.3
504.24576	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	503.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95118	1.4
53.06767	1.5
55.01867	3.2
57.03436	4.8
59.01381	100.0
61.98832	7.0
67.01903	1.9
71.01380	29.8
71.05067	1.8
72.99297	2.6
73.02940	12.3
75.00871	3.3
81.03472	3.3
83.01385	6.9
85.02945	16.4
87.00884	4.3
89.02464	5.7
93.03445	2.4
95.01376	2.4
96.96020	2.2
97.02947	1.6
99.00876	3.4
101.02453	17.3
104.61996	1.5
111.00916	2.5
113.02459	15.2
119.03518	2.9
119.04968	2.8
121.10229	1.6
122.74383	1.5
123.00848	1.8
123.08167	2.0
125.02417	11.5
127.00392	2.2
137.02472	1.8
145.01530	2.2
145.02934	6.4
147.51169	1.6
155.03571	2.3
159.02974	1.9
161.04544	7.1
163.03979	6.0
165.09215	9.5
169.01385	4.4
173.00917	2.1
173.04573	5.8
185.11852	2.0
201.14932	4.3
207.13876	3.7
209.08191	24.7
209.11838	1.8
265.84290	1.8
267.64236	1.6
329.23441	1.6
336.50607	1.6
341.11884	1.8
345.19006	3.0
357.15546	1.5
359.27924	5.3
371.24149	9.0
373.26047	1.8
375.27466	5.4
385.22305	4.2
399.23816	7.1
417.25003	12.0
503.17859	13.4
503.25406	10.3
503.33200	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	501.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37289	0.5
59.45886	0.5
61.98816	0.6
64.37190	0.5
70.27274	1.6
75.67173	0.5
77.94125	0.5
90.65544	0.6
96.72748	0.5
96.96035	0.9
147.08147	1.2
149.09717	28.6
150.10066	1.1
155.86308	0.5
163.11282	100.0
164.11652	4.5
174.79855	0.5
180.99713	0.5
221.57524	0.5
325.21686	25.6
326.21979	2.2
337.21732	12.0
338.22186	0.6
501.33737	97.6
502.34119	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26772	0.6
57.95667	0.8
59.01389	0.7
61.98833	100.0
66.80276	0.8
102.62533	0.6
182.44421	0.7
226.59129	0.7
233.33731	0.7
357.79791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
99.34920	0.6
99.74462	0.7
113.82079	0.6
119.28783	0.6
124.31536	0.6
200.82127	0.6
233.60452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03456	6.1
59.01379	43.4
61.04361	0.8
61.98829	2.0
67.01888	1.7
68.99812	1.4
69.03457	4.7
69.14102	0.9
71.01385	16.8
71.05022	2.1
71.54615	1.2
71.54973	0.8
72.99319	5.0
73.02951	2.4
75.00871	14.1
81.03467	0.9
83.01402	2.6
83.04995	1.3
85.02952	16.3
85.06620	1.0
87.00883	5.7
87.71090	0.7
88.20120	0.7
89.02438	4.3
93.03466	0.9
95.01394	4.1
96.96014	2.0
99.00878	8.3
99.04523	8.0
101.02456	3.4
102.39130	0.9
103.00353	1.4
105.03495	0.8
109.02968	0.8
111.00890	3.7
113.02448	19.5
115.00367	1.4
117.01927	2.7
125.02439	2.9
128.20265	0.7
129.01904	1.7
130.08739	3.4
131.03442	1.0
157.01381	0.7
161.04550	1.0
161.09790	2.0
169.01443	2.4
173.00966	0.9
175.02451	2.3
181.12172	0.7
200.37231	0.8
217.51675	0.8
231.05057	1.5
249.06123	20.8
251.16518	37.6
252.16890	3.2
267.07199	5.4
340.21127	2.3
483.22324	2.5
501.23462	100.0
501.30145	5.1
502.23999	11.1
502.31091	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92348	0.5
59.01379	100.0
60.01715	0.8
61.98838	2.4
62.21265	0.5
63.54382	0.5
71.01397	3.5
73.02954	1.7
75.00867	1.0
78.95911	0.8
83.01385	0.8
85.02972	1.4
89.02449	1.9
96.96033	1.7
98.41000	0.6
99.00884	0.8
101.02455	2.2
107.01438	0.7
111.00903	1.4
111.39869	0.6
113.02457	1.7
115.07681	0.8
119.03508	0.8
123.00900	2.1
125.02429	4.2
130.08748	1.4
137.48990	0.7
139.00404	1.7
151.00404	1.4
161.04599	0.9
168.00710	0.8
169.01402	3.3
178.77776	0.6
180.49615	0.7
207.08189	3.6
274.76160	0.6
283.10892	1.2
320.84311	0.6
332.47571	0.7
340.21323	0.9
357.26486	0.8
369.22998	0.8
385.11429	0.8
400.61746	0.6
501.19580	5.5
501.24100	3.3
501.30963	3.0
502.20724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
57.03440	0.4
59.01102	0.5
59.01381	7.4
59.08410	0.3
61.98823	0.7
65.00315	0.4
67.01886	1.1
69.03446	0.4
69.25745	1.2
69.26170	1.7
71.01380	5.0
72.99296	1.2
73.02951	1.2
73.39781	0.3
79.01904	1.0
81.03439	0.4
83.01390	1.0
83.78837	0.3
85.02958	2.7
87.00862	1.1
89.02471	1.7
95.01395	1.9
96.95992	0.9
97.02958	0.7
99.00904	0.4
101.02460	3.5
101.60059	0.3
107.01408	5.6
110.00084	0.4
111.00875	2.9
113.02457	2.6
117.01990	0.4
119.03509	0.4
123.00885	15.1
124.01703	1.7
125.02455	23.0
126.02806	0.4
127.00368	1.0
136.98802	1.4
137.02328	0.3
139.00380	6.0
140.01183	3.8
141.01910	1.3
141.09209	1.2
150.83031	0.4
151.00375	11.1
153.01883	0.6
161.02512	0.4
163.04063	0.4
165.02042	0.4
166.99733	0.4
167.03508	0.7
168.00638	4.7
169.01428	28.7
170.01845	0.8
179.03505	0.6
181.05038	0.5
195.02869	0.4
211.02481	4.8
270.06851	0.4
271.04611	4.7
297.06293	0.7
313.05612	2.7
331.06824	0.5
457.17255	1.0
501.19778	100.0
502.20108	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	501.198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28951	0.6
57.04475	0.7
57.15594	0.6
59.01385	9.9
61.90404	0.8
61.98820	0.9
63.85227	0.7
65.00335	1.1
67.01891	1.2
68.22825	0.6
69.03442	2.0
71.01389	6.3
71.53690	1.0
72.99313	1.8
73.02947	1.3
79.01893	0.8
83.01394	2.1
85.02962	3.9
87.00831	1.1
88.36031	0.7
89.02455	2.9
95.01376	1.9
96.96017	1.8
97.02937	0.9
99.00877	1.1
101.02427	3.6
107.01397	6.6
109.38427	0.6
111.00885	2.8
111.45950	0.7
112.96114	0.6
113.02468	2.8
119.03632	0.8
123.00892	15.3
124.01683	1.3
125.02453	32.6
126.02847	0.8
127.00366	1.5
133.55267	0.6
135.04411	0.8
136.98811	2.1
139.00363	7.6
140.01154	4.9
141.01918	1.9
149.02464	1.0
151.00377	10.7
151.04030	1.1
153.01952	1.1
161.02295	0.8
167.03508	1.3
168.00650	11.5
169.01425	46.4
170.01680	1.6
177.01994	0.7
208.09291	0.7
211.02477	39.5
211.54015	0.7
212.02834	2.1
221.08231	0.7
223.06084	1.2
225.51590	0.7
241.03493	1.1
253.03535	0.8
265.07123	1.6
271.04590	54.5
272.04919	2.1
313.05719	1.9
325.59131	0.8
331.06677	6.6
344.91519	0.7
429.13797	0.7
457.17078	21.7
458.17035	1.5
470.55667	0.7
483.18527	6.0
501.19821	100.0
502.20392	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	501.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80997	0.3
52.62935	0.3
53.88122	0.3
55.01882	0.7
57.03443	0.8
57.13326	0.3
57.35837	0.3
58.68195	0.4
59.01379	7.6
61.98821	0.5
67.01892	0.9
68.99809	0.6
69.03452	0.9
71.01387	6.7
71.53880	0.4
72.36303	0.3
72.99299	1.0
73.02951	1.6
75.00854	0.7
79.01884	1.3
81.03476	0.5
83.01387	1.5
85.02953	2.7
87.00866	1.4
89.02439	1.6
91.06566	0.3
95.01371	2.1
96.95994	0.6
96.99323	0.4
97.02961	0.8
99.00864	1.1
101.02454	3.8
107.01405	5.5
111.00894	3.1
113.02451	3.7
117.30020	0.3
119.03492	0.8
119.05084	0.4
123.00884	13.5
124.01698	0.7
125.02448	20.5
126.02792	0.9
127.00358	0.8
136.98785	1.5
137.02449	0.4
139.00374	5.6
140.01172	3.2
141.01959	2.2
141.09201	1.2
151.00371	10.9
153.01973	0.6
154.99774	0.6
163.03989	0.7
165.04034	0.6
167.03511	0.5
168.00630	5.0
169.01424	27.2
170.01711	0.8
170.71059	0.3
181.05066	0.6
183.02940	1.3
192.87608	0.4
211.02473	4.5
241.03308	0.4
253.03529	0.6
271.04611	4.2
294.33932	0.3
297.06021	0.6
313.05664	2.7
314.06363	0.3
317.03140	0.5
367.22736	0.3
386.95325	0.3
501.19699	100.0
502.20078	12.8
502.31174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.7
61.98827	0.8
62.04720	0.6
67.01894	1.1
69.03453	2.1
71.01385	7.1
71.54779	0.8
72.99314	1.1
73.02943	0.8
73.40320	0.7
75.00888	0.7
76.45021	0.8
79.01900	1.0
79.16743	0.7
83.01358	1.1
85.02962	2.9
89.02443	3.4
93.03475	1.0
95.01387	2.6
96.96021	2.4
97.02931	0.8
99.00907	1.0
101.02463	3.0
107.01382	6.7
109.11290	0.7
111.00905	4.0
113.02486	2.9
116.54010	0.7
119.03534	0.8
123.00886	16.2
124.01694	1.9
125.02448	35.4
126.02792	1.3
127.00368	0.7
136.98857	2.1
137.02477	1.5
137.23306	0.7
139.00383	7.5
140.01172	4.1
141.01950	1.3
149.02463	1.2
151.00356	9.0
153.01955	1.0
153.46312	0.6
154.99802	0.7
163.04031	1.0
165.05455	0.8
167.03514	2.0
168.00656	10.3
169.01419	46.5
170.01785	1.1
181.02943	0.7
181.04921	1.1
190.02704	0.8
191.03456	1.0
206.05751	0.9
211.02469	41.2
212.02817	1.5
223.06200	1.7
241.03511	0.8
242.15390	0.7
256.32944	0.7
265.07016	2.1
271.04587	57.2
272.04984	2.4
313.05780	2.1
331.06717	7.3
457.17075	16.6
458.17554	2.2
483.18652	5.7
484.18912	0.8
501.19843	100.0
502.20294	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80761	0.8
56.78519	0.6
57.03461	0.9
58.28970	0.8
59.01382	6.9
61.98840	1.0
67.01900	1.0
69.03471	1.3
70.85924	1.8
71.01369	5.5
72.99299	1.5
73.02961	1.2
74.56068	0.7
75.00875	5.6
79.01898	1.6
83.01381	0.8
85.02950	5.6
86.45235	0.8
87.00905	1.1
88.50310	0.8
89.02453	1.1
95.01407	1.8
96.96036	2.4
97.02975	1.4
99.00915	1.1
101.02448	3.8
107.01402	7.0
111.00916	2.4
113.02481	1.9
120.31142	0.8
123.00880	10.5
123.04544	1.0
124.01706	2.0
125.01520	1.9
125.02443	34.8
129.01932	1.7
136.98898	1.0
139.00380	3.4
140.01202	2.7
141.01990	1.1
151.00378	6.3
159.02957	0.8
167.03487	8.2
168.00703	2.8
169.01419	59.5
170.01784	1.9
177.04021	20.1
177.05496	1.1
191.03560	2.3
211.02449	6.4
267.07275	2.6
271.04657	4.7
271.07324	0.8
310.13092	0.7
313.05728	1.2
329.05261	7.9
329.08893	2.4
349.15140	2.1
483.15207	3.9
501.20047	100.0
502.20374	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	501.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94608	0.3
59.01384	3.9
68.16733	0.3
69.03455	0.4
71.01385	0.9
73.02961	0.4
79.95733	2.8
85.02960	0.8
87.00880	0.4
95.01369	0.5
95.95232	1.1
96.96008	100.0
97.95879	0.3
98.19901	0.6
101.02427	0.6
113.02431	0.4
123.00832	0.5
125.02428	1.3
128.03551	0.7
137.02425	0.4
151.00398	0.8
161.04549	0.4
168.00601	0.3
169.01402	1.5
173.04515	0.5
191.05667	0.4
235.10040	1.8
253.11125	0.9
271.04584	0.4
295.12155	0.5
397.15298	0.9
415.16418	18.4
416.16788	1.5
457.17474	43.8
458.17712	4.4
483.15314	2.3
501.15964	10.8
502.16989	1.5
502.26556	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04621	0.4
59.01377	71.9
60.01712	0.6
61.98827	0.8
64.56503	0.4
69.45029	3.1
72.99290	0.4
73.97746	0.4
90.97119	0.9
93.79921	0.4
132.98209	2.0
139.95692	0.4
157.03571	3.2
159.01506	0.8
174.97696	0.9
174.99237	22.0
201.02538	32.0
202.02696	2.4
217.00281	100.0
218.00586	2.9
230.91960	0.5
308.07278	0.5
313.80072	0.4
341.98093	0.4
343.03693	2.8
359.01447	59.2
360.01666	6.2
410.60806	0.4
500.99283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37393	0.8
57.03424	1.3
59.01381	16.7
61.98830	100.0
71.01394	7.7
72.99296	2.8
73.02956	2.2
75.00864	3.4
78.96790	0.9
81.03416	1.1
83.01342	1.3
85.02963	9.2
87.00880	2.5
89.02442	2.2
95.01384	2.3
96.96020	1.6
98.19769	2.0
99.00882	3.9
99.04522	1.3
101.02449	3.9
111.00860	1.9
113.02454	9.0
115.00359	1.3
115.55533	0.8
119.03477	0.8
123.00856	1.6
125.02444	3.2
151.00368	1.1
169.01364	2.4
189.12752	1.6
205.07091	1.2
207.13985	1.3
249.06096	1.8
253.38644	0.9
267.07285	1.4
309.07959	1.0
357.26541	1.0
357.85901	1.0
483.18784	7.8
500.18668	3.2
501.19385	15.2
501.30591	3.1
509.96933	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20498	0.5
57.03443	1.1
59.01383	9.1
61.22498	0.5
61.98830	100.0
62.43003	0.5
65.82310	0.5
69.23094	4.5
69.23497	1.0
69.78835	0.5
71.01377	2.7
72.99314	1.1
73.02962	0.7
75.00883	2.1
75.69908	0.5
79.08648	0.5
81.88745	0.5
82.02995	0.9
82.98450	0.5
83.01385	0.7
85.02943	3.7
87.00883	1.2
89.02450	1.2
95.01364	0.6
96.96069	0.7
98.19883	0.9
99.00911	1.3
99.04600	0.6
101.79407	0.5
111.00905	1.1
113.02460	3.7
123.00911	1.0
125.02460	2.6
139.00330	0.7
140.01192	0.9
143.20700	0.5
151.00450	0.7
165.03934	0.6
165.12929	0.5
169.01427	2.4
209.11786	1.4
249.06319	1.5
267.07251	0.6
269.14029	1.0
287.83517	0.6
309.08423	0.7
317.03195	1.1
419.40103	0.6
419.73697	0.5
439.19864	0.8
457.20935	2.4
500.22345	1.1
500.29245	1.7
501.19125	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	499.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	58.7
71.55247	1.2
78.95911	8.5
91.90857	0.6
96.96978	0.7
99.47758	0.6
119.02728	0.7
124.40472	0.6
129.59169	0.6
152.99599	10.9
171.00662	2.3
227.03143	1.2
245.04279	5.1
271.22772	100.0
272.23087	6.9
277.98953	0.7
317.30933	0.8
450.17456	0.7
479.03528	0.7
492.97821	0.7
499.26736	26.4
500.27264	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	499.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	12.4
59.01371	17.5
61.98832	2.9
62.92612	1.8
71.01378	5.3
76.30172	1.9
81.03451	6.6
83.01391	15.4
83.96827	1.8
85.02914	3.2
93.03455	4.4
95.04996	3.5
97.02958	3.6
98.19849	4.8
109.02956	31.2
111.00867	4.8
113.02470	2.1
122.03673	2.1
123.04519	10.5
125.02451	100.0
135.04558	3.4
137.02446	87.5
138.02844	4.6
139.04094	3.1
145.02956	19.9
146.03740	5.2
149.02428	10.3
149.04460	2.1
150.03163	3.1
151.04039	11.3
159.04523	14.1
160.05255	3.3
161.02432	5.9
161.06090	12.0
165.01949	4.1
165.12869	12.6
172.23653	2.3
178.77328	1.9
179.03473	3.9
183.04539	2.6
183.13902	49.7
184.05312	2.1
185.06088	7.8
187.04002	10.3
187.13683	2.0
188.04768	4.2
201.05574	7.0
202.06314	4.3
203.07126	16.1
205.04971	5.5
209.05998	2.5
211.03888	2.6
219.17540	4.4
220.61215	1.8
221.08035	2.3
225.05490	3.2
225.24631	2.4
227.07095	6.1
227.12891	53.8
229.04942	5.9
245.08192	18.2
253.05031	13.5
271.06097	41.3
272.06409	2.5
289.07178	76.2
290.07529	6.0
293.17490	2.6
319.82809	2.2
349.16458	8.5
361.16565	7.9
369.20709	10.5
395.18152	2.9
411.21851	11.8
412.22079	2.5
437.19516	10.1
455.20767	21.5
456.21518	3.0
499.19727	18.0
499.27222	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1821
Annotation	Rolapitant
Peak:m/z	Relative Intensity
55.01869	1.2
57.03443	1.7
59.01377	11.7
60.24039	0.6
61.98836	2.9
64.11651	0.6
67.01887	1.2
70.95127	1.2
71.01384	9.9
72.99292	1.4
73.02923	2.7
75.00866	2.0
79.01871	0.7
83.01370	2.5
85.02947	6.8
87.00867	2.4
88.94186	0.5
89.02448	3.0
95.01387	3.6
96.96017	9.2
97.02937	1.1
99.00880	3.0
101.02437	8.7
101.82281	0.7
106.24665	0.6
107.01418	3.5
107.02014	0.7
108.81653	0.6
111.00874	2.5
113.02443	6.6
116.92864	1.0
119.03545	1.1
121.02966	0.7
123.00892	16.6
124.01662	1.6
125.02446	19.0
127.00388	1.1
136.05324	1.0
136.98862	1.6
139.00359	5.9
140.01134	3.8
141.01932	1.9
151.00356	13.1
153.01932	0.6
161.04556	0.8
167.03435	1.3
168.00650	3.4
169.01428	20.2
170.01904	0.7
178.99884	1.0
179.03452	0.7
185.11758	1.5
189.64005	0.6
193.01389	0.7
205.12358	2.6
211.02470	1.0
249.06158	3.9
267.07196	7.3
271.04565	1.2
301.03372	3.0
305.06699	1.4
313.05582	1.3
323.10483	0.7
347.17136	15.1
348.17386	1.1
455.19193	16.8
456.19458	1.5
463.08853	2.6
473.39203	0.6
481.17123	10.7
482.17511	1.2
498.35034	1.3
499.18210	100.0
500.18561	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	499.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44234	0.7
56.80017	0.8
57.03433	1.8
59.01384	7.0
61.98822	2.0
63.89018	0.9
69.03463	1.3
71.01387	5.5
71.22411	2.0
72.99283	1.2
75.00874	32.9
78.95876	0.9
80.15764	0.8
85.02956	5.2
87.00873	4.8
89.02447	2.9
97.02941	1.5
99.00876	4.8
101.02436	1.5
107.01402	2.3
111.00892	3.4
115.00309	0.9
123.00871	1.8
125.02452	21.4
126.02798	1.2
129.01064	1.5
129.01949	14.6
137.02458	1.0
139.00296	1.1
140.49057	0.8
141.01958	2.3
153.88986	0.8
159.03008	8.4
168.00694	1.2
169.01424	25.6
170.01738	2.3
177.04073	10.6
185.00879	1.9
191.51561	0.9
195.05095	95.2
196.05449	3.4
203.08160	1.4
211.02478	3.9
257.70584	0.9
267.04886	1.1
271.04544	2.6
305.06662	1.7
308.43045	0.8
329.05087	5.2
347.06140	100.0
348.06439	6.5
499.07187	1.8
499.14203	1.3
499.20523	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35637	1.1
53.70601	1.3
54.28453	1.5
57.01063	1.1
57.03440	3.2
58.63351	1.3
59.01379	11.6
61.98827	2.9
69.03449	2.4
70.73891	2.8
71.01377	9.9
72.99306	2.4
75.00869	30.4
83.01400	2.1
85.02949	8.1
87.00866	7.4
89.02447	5.7
89.97060	1.4
95.01381	1.7
96.96042	1.6
99.00875	5.6
101.02429	5.8
105.01951	2.7
107.01418	7.4
111.00867	4.8
111.04495	2.3
113.02449	3.0
119.03452	1.5
119.04958	2.0
123.00880	6.0
125.02445	43.5
126.02821	3.2
129.01958	17.7
135.04437	1.8
137.02431	2.7
139.00360	5.1
139.04039	3.1
140.01173	5.3
141.01981	11.0
147.02925	1.5
151.00391	2.5
159.02969	6.6
161.02507	1.8
163.04034	1.7
166.99850	4.7
167.03494	2.6
168.00620	3.6
168.06639	2.1
169.01424	51.4
170.01755	3.2
171.01883	1.5
177.04036	35.3
184.00137	4.8
185.04611	1.5
191.05559	1.8
195.05098	99.7
196.05469	2.4
211.02432	8.5
271.04614	9.7
285.06400	1.7
303.07181	2.9
329.05090	12.5
337.09360	1.4
347.06140	100.0
348.06516	6.1
348.12927	9.0
436.14124	3.1
455.08267	5.1
481.05859	3.0
499.06860	23.2
500.14166	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	498.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.9
60.02534	0.7
61.98829	100.0
66.01135	0.6
70.37589	1.1
70.37981	1.6
71.01379	2.2
71.01774	0.6
75.00886	0.7
76.50179	0.6
76.82664	0.8
81.03473	1.1
85.02946	1.3
89.02457	1.1
95.01442	1.0
96.96008	1.7
98.19997	0.8
101.02458	1.4
107.01408	0.8
113.02472	1.7
119.05040	1.2
123.00880	2.2
123.04532	1.7
125.02428	5.4
127.78753	0.7
135.04536	1.0
136.05324	6.8
139.00366	1.0
140.01125	0.7
150.06879	0.8
151.00409	1.9
161.02483	0.7
164.08392	0.8
165.09203	4.5
167.03481	6.0
169.01425	4.7
173.04585	1.1
191.03543	2.3
192.03755	1.0
273.07742	9.4
274.07977	1.3
298.08224	1.0
341.06769	2.0
347.17236	0.7
435.11633	2.1
497.34915	5.6
498.16782	0.8
498.21033	1.5
498.28363	0.7
498.35587	3.1
499.18112	9.6
499.24875	0.7
515.19360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	43.9
61.98827	5.0
68.02528	4.0
69.18002	9.7
71.01375	8.8
73.02955	11.0
78.95901	3.6
83.01377	3.5
85.02940	2.3
89.02435	1.9
98.19917	1.7
101.02449	8.7
109.99852	0.9
113.02451	4.8
125.02456	3.8
126.99572	100.0
127.99935	2.3
137.02406	1.8
151.70639	0.9
152.99599	4.7
164.50432	0.9
166.09860	7.8
169.01384	2.9
170.99294	1.0
174.22409	0.8
180.35202	0.9
201.69283	0.9
336.76996	1.0
498.21542	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	497.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69761	0.6
52.33810	0.7
53.95076	0.8
55.01854	0.9
57.03456	3.8
59.01381	9.5
60.57164	0.7
61.98820	2.2
69.03456	0.8
69.26749	2.1
69.27169	4.9
71.01005	1.1
71.01385	20.2
72.99296	4.2
73.02954	3.3
75.00467	1.4
75.00877	23.0
79.81989	0.7
83.01375	3.0
84.02151	0.7
85.02951	27.6
86.00089	1.0
87.00863	6.3
89.02435	3.4
90.69472	0.7
95.01382	2.1
96.95994	2.4
97.02989	0.9
98.19849	1.3
99.00881	8.1
101.02445	6.0
107.01382	1.0
111.00883	1.2
112.01699	0.8
113.02451	24.0
115.00333	2.2
117.01933	1.0
123.00853	2.0
125.02460	8.1
126.02806	0.9
129.01947	1.3
137.02448	0.8
149.03604	0.8
151.00352	1.1
157.01431	1.3
161.04579	1.3
167.03488	1.2
168.00659	1.5
169.01440	10.1
170.01678	0.7
171.01955	0.6
175.02443	2.4
183.03011	1.5
189.62534	0.7
190.47478	0.7
193.01497	0.8
211.02525	0.9
297.51862	0.7
313.05829	3.5
321.19199	0.7
361.27487	0.7
497.22421	100.0
498.16238	0.9
498.22720	11.7
498.76944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99158	1.2
54.59683	1.2
55.01873	4.4
57.03436	3.8
59.01380	64.6
61.98833	6.7
69.03451	2.1
69.20010	3.6
69.20425	11.0
71.01385	39.8
72.99316	2.8
73.02950	18.6
75.00851	2.5
78.95910	2.5
81.03410	1.5
81.74312	1.3
83.01392	15.2
85.02950	25.6
86.00093	1.7
86.92308	1.3
87.00871	1.8
89.02443	5.4
92.43394	1.3
92.54623	1.3
95.01375	3.4
97.02967	1.6
99.00869	8.2
101.02445	45.3
109.02931	1.5
110.98537	1.8
111.00883	2.2
113.02457	16.5
119.03462	1.6
123.00832	1.5
123.04480	1.3
125.02431	15.2
129.01889	1.2
137.02518	1.9
143.03484	2.1
159.02960	3.7
161.04498	10.3
163.06105	1.6
169.01451	2.9
229.07208	1.8
247.08264	1.6
291.18118	78.4
292.18433	5.4
329.23358	2.7
426.92920	1.5
437.23886	100.0
438.24228	10.4
464.15625	1.5
497.09341	2.4
497.20422	4.3
497.26334	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	497.218
Annotation	Garcidepsidone C
Peak:m/z	Relative Intensity
50.26736	0.6
55.01844	0.6
55.18683	0.6
57.03444	1.4
59.01383	10.8
61.56430	0.6
61.98821	3.8
69.03462	1.4
71.01386	1.7
73.02925	0.8
78.95895	1.8
81.03484	0.9
83.01385	2.1
83.05007	1.0
85.02966	1.3
87.00866	0.8
89.02427	1.5
93.03427	1.6
95.01385	2.9
95.05031	1.0
96.33092	0.8
96.96010	1.9
97.02966	4.2
98.20636	2.1
99.00812	0.9
101.02415	1.0
107.01382	0.9
108.02151	1.8
109.02956	10.0
110.97060	0.7
111.04490	1.6
113.02448	1.9
115.00386	0.7
119.04977	1.0
121.02956	2.1
123.00871	5.3
123.04539	1.0
124.01661	7.9
125.02451	29.9
126.02682	0.7
131.05080	0.8
136.01680	1.7
137.02443	15.2
138.03238	15.6
139.04012	11.8
147.04445	1.2
149.02493	0.9
149.06068	1.5
150.03246	1.6
151.03976	2.0
152.99600	3.7
159.04501	1.8
159.18793	0.6
161.02448	2.5
162.03160	0.9
163.00386	0.8
163.04001	1.6
164.01175	5.3
165.01932	22.0
166.02563	1.4
167.03490	7.6
168.00562	0.7
169.01410	6.8
170.02200	3.8
170.03493	0.7
173.06110	0.7
175.03931	2.1
176.04839	0.7
177.01935	5.9
177.05515	4.5
178.02699	2.0
179.03497	3.9
189.02036	1.2
189.09119	0.7
190.02628	0.9
191.03499	1.8
203.03477	3.7
204.04153	1.9
205.05106	1.1
217.05045	1.6
219.06644	11.2
221.04568	8.1
229.34653	1.5
245.04547	1.0
247.02539	1.6
260.06738	1.0
304.05811	1.0
317.17599	7.8
318.18063	0.8
329.17548	5.6
345.09421	0.9
357.17053	9.2
359.18744	0.8
371.18652	6.4
453.22949	7.3
454.22940	1.0
479.21146	0.8
497.09589	3.1
497.21765	100.0
498.22064	13.8
498.28754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2194
Annotation	Garcidepsidone C
Peak:m/z	Relative Intensity
57.03444	0.9
59.01371	5.2
61.98820	1.1
69.03448	1.0
69.15285	6.9
71.01375	2.8
73.02937	0.8
80.96538	1.1
81.03452	1.8
83.01389	2.6
85.02943	1.9
89.02428	0.8
93.03450	1.7
95.01359	2.4
95.05045	1.1
96.95378	1.0
96.96007	18.7
97.02937	2.2
97.06597	0.9
101.02431	1.2
108.02223	1.0
109.02952	8.9
111.04478	0.8
113.02439	1.4
121.02937	2.6
123.00887	3.4
123.04530	0.7
124.01669	8.0
125.02444	23.1
125.79607	0.7
135.04552	0.8
136.01648	1.4
136.05296	0.7
137.02448	12.8
138.03224	16.2
139.04051	9.8
149.06062	1.6
150.03207	1.1
151.00244	0.8
151.03990	2.4
159.04552	1.4
161.02409	2.4
162.03264	1.1
163.00345	0.8
163.03951	0.8
164.01146	4.6
165.01927	19.7
166.02702	0.8
167.03510	7.5
169.01389	2.2
170.02156	2.4
175.03976	3.1
176.04665	1.0
177.01897	4.3
177.05502	4.2
178.02679	2.2
179.03520	3.2
189.01897	0.7
191.03442	1.1
193.05067	0.6
200.74077	0.7
201.05478	0.6
203.03545	3.6
204.04213	1.9
205.05064	1.0
217.05070	1.1
217.63211	0.9
218.05928	1.0
219.06613	10.1
220.06969	1.0
221.04561	7.7
241.00191	1.3
245.04463	1.2
249.18367	0.9
304.05719	0.9
305.07544	0.7
317.17526	7.1
329.17630	3.9
331.19122	0.7
357.16992	8.0
358.17349	1.0
371.18527	6.0
435.21994	0.9
437.24063	1.1
453.22818	6.1
454.22870	0.9
497.21588	100.0
498.22021	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	497.218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20126	0.7
57.03444	1.3
59.01380	10.4
61.98832	1.3
64.18224	0.9
69.03451	1.0
71.01385	3.4
71.55135	0.9
73.02960	1.5
81.03455	1.5
83.01386	2.9
85.02956	2.1
87.00937	0.8
93.03487	1.5
95.01401	1.5
95.05031	1.3
96.96003	13.1
97.02953	2.5
99.00855	1.0
101.02452	1.1
108.02195	1.2
109.02946	10.5
110.03312	1.4
111.04519	1.1
114.67207	0.8
121.02943	2.4
122.03722	1.2
123.00899	3.7
124.01649	6.8
125.02448	24.2
126.02826	0.9
135.04538	1.1
136.01691	1.7
137.02451	15.8
138.03236	14.6
139.04022	10.3
147.04475	1.1
149.02464	1.6
149.06068	2.0
150.03226	1.3
151.00430	1.2
151.03961	2.6
154.26483	0.9
159.04497	0.9
161.02455	2.6
163.03973	1.3
164.01161	6.5
165.01930	21.3
167.03468	8.3
169.01451	4.8
170.02129	3.0
175.03973	2.4
177.01923	3.8
177.05554	3.7
178.02765	2.8
179.03474	4.7
189.01941	1.1
203.03487	2.9
204.04279	2.1
205.04999	1.5
217.05083	1.4
218.05841	1.0
219.06586	9.4
221.04564	9.3
241.00273	1.0
247.02501	1.3
247.40489	0.9
263.05426	1.2
289.07111	0.8
304.06027	1.6
317.17438	7.6
329.17511	5.5
357.16998	7.5
359.18600	1.0
371.18613	6.2
422.65637	0.9
453.22729	7.7
497.21649	100.0
498.22089	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	497.1662
Annotation	Cypellocarpin A
Peak:m/z	Relative Intensity
57.03444	1.6
58.78711	0.8
59.01382	7.3
67.01856	1.0
69.03466	1.4
69.19658	5.2
69.20087	2.1
71.01379	8.1
72.99312	1.8
73.02919	1.6
75.00889	5.4
80.08158	0.7
82.75776	0.8
83.01379	1.5
85.02953	5.3
89.02435	3.3
95.01376	1.2
96.95998	1.1
97.02962	1.5
99.00865	1.8
101.02438	5.6
107.00716	1.0
107.01393	10.7
111.00861	1.9
113.02424	2.5
115.04008	0.9
123.00857	8.4
124.01679	1.1
125.02444	39.5
126.02811	1.0
126.76778	0.8
129.01924	2.1
136.98842	0.7
139.00352	4.0
140.01144	3.1
141.01845	1.1
151.00362	5.2
159.03050	1.1
161.04512	1.5
168.00635	4.4
169.01418	55.2
170.01733	1.5
177.04034	18.1
210.54930	0.9
211.02434	6.4
212.02705	0.8
271.04501	3.8
313.05603	1.2
329.05130	5.8
345.15488	9.7
363.80090	0.7
453.17490	8.4
453.22296	0.9
454.17984	1.4
479.15601	4.2
497.16629	100.0
498.16992	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	497.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41053	0.2
58.12213	0.2
58.87659	0.2
59.01382	0.8
61.98829	2.0
67.01902	0.4
69.03464	1.4
69.71696	0.2
71.01384	0.5
79.01907	0.6
81.03465	0.7
83.01372	0.3
85.02990	0.3
88.49335	0.2
95.01390	0.4
97.02954	1.0
98.20672	0.4
101.02433	0.2
107.01393	5.0
109.03021	0.4
111.00889	0.3
113.02491	0.3
119.05014	0.4
121.02914	0.4
123.00842	0.5
124.01668	0.7
125.02447	55.3
126.02771	0.9
135.04503	0.4
136.05298	0.5
139.04071	0.2
145.02921	1.3
146.03679	0.3
149.06108	0.2
151.00404	0.4
156.37425	0.2
165.09174	0.5
167.07092	1.4
168.00606	0.4
169.01422	100.0
170.01761	3.1
174.79855	0.2
179.07172	0.3
183.02988	1.0
188.06694	0.2
198.73335	0.2
209.08090	0.4
211.07637	0.4
223.07707	0.5
225.05434	0.2
225.09230	0.3
237.05876	0.2
237.08875	0.2
239.07141	0.5
250.06323	0.3
251.07089	0.4
253.05058	0.6
255.06668	0.8
256.11023	2.1
265.08658	0.4
267.06570	1.0
269.08096	0.4
272.06610	0.3
281.95261	0.2
283.09866	1.1
284.10437	1.5
295.09772	1.3
296.10553	2.0
297.11191	0.7
300.10031	2.2
310.08444	1.0
310.68027	0.2
311.09262	5.2
312.10016	8.2
313.10590	1.2
315.12390	3.0
317.10263	0.3
327.12360	8.3
328.12692	0.5
434.11514	0.2
440.71021	0.2
497.14554	10.0
497.20181	0.5
497.34698	0.9
498.14844	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	3.9
67.01863	1.0
69.03432	1.0
69.30451	4.9
69.30865	2.6
71.01372	2.0
71.04993	1.2
72.99270	0.9
83.01356	1.1
85.02514	1.0
85.02938	10.2
87.00848	4.1
93.03471	5.8
95.01366	1.1
97.02902	1.1
98.20804	1.3
99.00853	1.6
105.01900	1.1
107.01382	7.2
108.01664	0.9
109.02932	1.5
111.00860	1.7
111.04467	2.9
119.04960	1.9
123.00864	6.3
124.01603	1.7
125.02443	35.0
126.02707	4.0
127.02947	1.9
127.03964	3.7
135.04559	1.9
136.98793	1.2
137.02386	2.8
139.00287	2.5
139.03969	4.8
140.01167	1.7
141.01859	1.4
151.00389	5.1
155.03369	1.6
165.01894	2.1
165.03947	2.1
167.03426	1.2
168.00674	4.7
169.01414	42.1
170.01746	9.4
171.01843	6.3
173.04482	2.9
175.06154	1.2
183.02834	1.9
191.05600	100.0
192.05888	5.9
193.06001	3.5
211.02438	1.6
271.04398	2.5
305.06485	1.7
313.02179	0.9
313.05518	4.9
325.05328	1.6
327.06479	3.9
331.68799	0.9
343.06461	3.1
344.06805	3.8
345.07797	17.7
437.09406	1.5
449.10626	4.0
453.10126	2.9
459.58826	1.0
466.84601	1.0
479.08566	1.9
497.08777	38.5
497.16281	2.0
498.09201	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	497.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05408	1.1
55.34700	1.2
59.01379	7.9
61.98818	3.5
67.01911	1.9
69.03468	1.4
71.01375	6.9
71.05035	2.7
71.52882	2.1
72.99306	2.6
73.02966	2.0
75.00877	1.9
79.01881	2.2
81.03454	1.5
83.01405	2.1
85.01034	4.1
85.02967	6.1
87.00880	11.0
93.03465	2.4
95.01395	3.4
97.02957	1.4
99.00887	2.6
101.02450	4.5
105.01942	13.0
107.01380	16.3
109.02982	2.1
110.00060	1.8
111.00880	3.9
113.02430	6.7
119.05022	1.8
121.02958	2.8
123.00893	19.9
124.01691	4.6
125.02446	79.5
126.02793	4.3
131.03514	1.2
134.03735	2.8
135.04518	14.2
135.94063	1.2
136.98801	3.6
137.02435	3.3
139.00403	8.7
139.04015	10.1
140.01152	6.6
141.01938	1.2
147.02989	2.5
150.03200	4.6
151.00360	13.9
163.03941	1.3
165.01903	4.9
165.02608	1.6
165.04050	30.7
165.05475	3.3
166.99843	1.6
167.03445	1.9
168.00653	9.7
169.01425	100.0
170.01764	8.3
171.01903	3.7
173.04599	2.5
173.74965	1.2
175.06079	2.8
179.03462	2.3
182.02220	1.4
183.03018	5.3
187.07750	1.3
191.05602	4.7
193.07149	5.1
211.02469	6.0
241.03474	1.8
271.04697	6.4
293.06119	1.6
297.06082	1.8
313.05588	16.1
314.06033	2.5
327.07291	3.4
343.06714	3.4
343.81140	1.2
344.06927	3.9
345.08127	33.5
346.08401	3.0
349.13123	4.7
385.07605	5.9
434.13895	4.2
449.10837	40.9
450.11365	5.0
453.10425	3.4
479.12555	6.8
497.09741	41.2
497.16827	28.4
498.10001	6.1
498.18167	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	496.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03706	0.8
55.93805	1.0
58.75992	0.8
59.01386	5.0
60.78233	0.9
61.39942	0.9
61.98822	4.8
71.01373	3.9
73.02954	1.4
79.01907	0.9
85.02941	3.1
87.00876	1.5
89.02446	0.9
93.03482	2.0
95.01360	1.3
98.20651	2.0
99.00889	1.0
101.02443	3.9
105.01949	0.9
107.01391	5.4
111.00875	1.3
113.02451	1.4
123.00894	12.6
124.01675	1.4
125.02451	29.5
125.48409	0.9
126.02801	4.8
127.00381	1.1
136.98802	1.2
139.00392	4.8
140.01170	2.5
151.00356	10.7
155.03485	1.8
165.04039	1.8
168.00629	3.5
169.01433	47.1
170.01743	9.1
173.04564	4.7
174.04915	2.0
191.05658	8.9
192.05946	3.4
193.07063	1.6
211.02419	2.0
271.04645	4.3
313.05603	3.9
314.05872	0.9
326.05841	1.8
329.94394	0.9
343.06665	7.1
344.07040	14.3
345.07956	3.6
368.61194	1.1
433.13480	100.0
434.13834	9.4
449.10950	0.8
467.84302	1.0
496.08572	1.2
496.17477	1.5
497.09390	11.1
497.16281	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	496.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
57.86768	0.4
59.01385	1.8
61.98830	100.0
62.98552	0.4
63.02396	0.8
63.63426	0.4
65.00304	1.9
69.22376	3.5
71.01393	0.7
81.03459	0.5
83.01403	1.6
84.85281	0.4
85.02972	0.7
93.03481	0.8
95.01420	0.4
95.06735	0.4
95.90661	0.4
96.96032	0.6
107.01398	3.4
109.02963	1.1
119.05032	5.0
121.02924	0.5
123.04510	0.4
125.02437	5.6
126.02792	1.3
136.05263	0.5
137.02521	0.5
137.06062	2.0
138.06448	0.9
145.02971	1.2
149.02521	0.5
151.00366	12.6
152.00719	0.6
154.01477	1.5
161.06233	0.4
163.04054	0.4
165.01970	1.2
169.01428	4.5
170.01813	1.3
177.01883	1.8
181.05057	3.6
182.05365	2.2
185.06064	0.9
189.02013	1.1
190.02609	0.5
209.20102	0.4
211.02538	0.7
217.01465	0.6
227.07109	0.4
229.05077	0.9
231.02911	0.4
267.07196	0.5
271.06134	20.0
272.06509	1.7
313.05878	1.0
314.05917	0.9
315.56873	0.4
342.06976	1.9
397.10391	0.5
433.11386	9.1
434.12030	1.2
496.11853	8.2
496.18616	0.4
496.34598	0.6
497.11115	0.6
497.17523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55879	0.4
59.01371	2.3
61.98828	100.0
63.02414	0.5
64.13435	0.4
65.00332	1.4
66.39256	0.4
67.01894	0.5
67.74281	0.4
71.01355	0.8
71.54041	0.6
74.72447	0.4
76.40095	0.4
79.62204	0.4
83.01408	1.8
83.40781	0.4
85.02961	0.7
88.53461	0.4
93.03466	1.2
95.01423	0.4
96.96027	0.7
97.02950	0.4
101.02448	0.4
107.01392	4.0
109.02962	1.1
111.00822	0.4
113.02441	0.6
117.03490	0.6
119.05030	5.5
121.02939	0.6
123.00879	0.9
125.02444	6.9
126.02831	1.1
132.94330	0.4
136.05312	0.9
137.02480	0.9
137.06099	2.4
138.06422	1.8
139.00339	0.5
139.08591	0.4
145.02983	1.2
149.02467	0.5
151.00366	13.4
151.01573	0.7
151.03967	0.6
154.01424	2.3
163.04048	0.4
165.01936	1.3
167.03537	0.6
169.01422	6.4
170.01817	1.4
177.01942	1.2
181.05061	4.3
182.05351	3.3
187.03999	0.7
189.01894	0.9
190.02383	0.9
191.03450	0.4
206.05408	0.6
211.02399	0.8
217.01369	0.5
229.04980	0.7
253.05206	0.5
267.07004	0.4
271.06125	22.5
272.06564	1.5
313.05411	2.1
314.05939	0.8
341.06775	1.2
342.06940	3.2
433.11340	9.4
433.16928	0.5
434.12021	0.8
496.11813	9.6
497.10883	0.6
497.17499	0.7
497.35196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36964	0.3
54.04097	0.3
59.01376	1.9
61.98830	100.0
71.01372	1.5
71.55198	0.4
72.99287	0.3
73.02957	0.4
85.02962	0.7
89.02441	0.5
95.01396	0.5
96.96033	0.8
101.02470	0.6
107.01345	0.7
109.02992	0.4
113.02474	0.8
123.00878	0.8
125.02465	3.6
128.69153	0.3
151.00394	0.9
168.00662	0.8
168.03130	0.4
169.01440	4.1
177.01952	0.4
177.04066	0.4
183.02942	0.5
191.05771	0.3
196.97879	0.3
210.01897	0.4
211.02477	0.6
225.04085	1.0
271.04507	0.5
285.06058	1.9
313.05740	0.5
341.06534	0.5
342.07111	0.3
345.15607	0.9
445.54715	0.4
453.17584	0.5
496.11084	1.8
496.19485	0.7
497.16495	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	495.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01371	2.9
61.98820	1.7
64.98343	0.7
67.01875	0.9
69.03455	1.1
69.25344	1.5
69.25747	4.6
71.01379	3.5
73.02936	1.0
75.00877	1.9
83.01379	0.6
85.02950	2.1
87.00835	0.8
89.02472	1.4
93.03463	1.0
95.01403	1.6
96.95998	2.1
97.02971	0.7
101.02447	2.2
107.00714	0.9
107.01391	9.2
109.02954	0.9
111.00885	2.2
111.04478	0.8
113.02450	2.0
121.02969	0.8
122.03746	6.7
123.00891	9.3
124.01653	2.2
125.02447	44.5
126.02789	1.3
135.04520	1.1
137.02412	1.5
137.06039	1.2
138.05608	0.6
139.00395	3.9
140.01143	2.4
141.01953	0.7
148.05266	1.9
149.02496	0.8
151.00372	7.0
151.03966	1.0
153.01909	1.3
155.03448	0.8
167.03546	1.5
168.00618	3.4
169.01421	62.0
170.01779	2.6
173.04588	1.4
179.03528	0.8
181.08704	70.9
182.09015	2.8
191.05583	1.9
211.02486	1.7
223.02402	0.8
240.61111	0.6
241.03336	0.8
244.38657	0.7
253.03651	0.8
259.02710	0.9
313.05621	30.1
314.05865	1.0
325.05515	0.8
343.06512	1.7
410.69418	0.7
495.15042	100.0
495.31226	1.9
496.15524	10.4
504.42291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01381	4.1
61.98853	2.2
63.65245	0.5
65.10090	0.5
67.01920	1.4
69.03469	0.6
71.01383	5.2
71.55524	0.7
72.99333	0.7
73.02947	0.8
75.00897	1.8
79.01896	0.9
83.01416	1.9
85.02979	2.3
87.00896	1.4
89.02458	1.0
93.03479	1.0
95.01422	1.8
96.96023	1.9
97.02997	1.3
99.00899	0.5
101.02485	1.6
101.63758	0.5
107.01391	10.7
109.02975	1.3
111.00874	2.4
113.02437	2.4
116.64432	0.5
122.03724	6.5
123.00883	10.0
123.04541	1.1
124.01703	2.4
125.02445	51.9
126.02780	1.7
127.00417	1.0
135.04578	0.6
136.98813	0.9
137.02446	2.3
137.06073	1.3
139.00380	4.6
139.03967	0.5
140.01181	3.2
141.01956	1.8
148.05249	0.7
151.00375	9.7
151.04086	0.6
153.01939	2.1
154.02692	1.0
155.03493	0.8
163.07611	0.6
165.04034	0.7
167.03526	1.0
168.00629	3.5
169.01422	65.7
170.01726	2.3
173.04536	1.6
175.03966	0.6
179.03464	1.0
180.04347	0.6
181.08701	79.3
182.09029	3.8
183.03023	0.6
191.05632	2.9
193.01421	0.8
211.02460	1.8
215.50708	0.5
223.02507	0.6
241.03496	1.4
253.03564	1.1
271.04623	0.9
297.06198	0.7
313.05637	29.3
314.05859	1.5
325.05508	1.2
343.06729	3.0
343.13773	0.8
385.16821	0.5
495.14789	100.0
496.15311	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	495.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01382	13.4
61.53513	1.2
61.98826	1.9
63.02396	2.1
65.00329	2.0
69.44750	1.3
71.01379	3.9
71.54527	1.6
74.43298	1.1
75.00892	2.4
79.48916	1.2
80.63900	1.1
81.03468	1.4
83.01389	2.4
85.02972	3.7
88.98819	2.0
93.03471	1.4
95.28526	1.2
96.96024	3.7
101.02445	1.8
107.01405	9.8
107.04989	1.2
109.02968	6.9
109.06588	2.3
110.03343	1.4
111.00893	2.1
113.02451	3.4
119.05011	2.9
121.02916	5.9
123.00903	9.0
124.01682	1.8
125.02446	69.8
126.02792	3.8
132.69313	1.4
135.04567	3.7
137.02435	7.7
137.06087	28.2
138.02849	2.3
139.00351	1.3
139.02951	1.4
140.01205	1.8
151.00386	14.2
152.00748	4.8
153.00829	3.3
153.01950	1.9
161.02371	2.7
167.03490	2.9
168.00639	1.6
169.01427	100.0
170.01802	7.3
171.01900	2.3
171.85555	1.3
178.99854	7.4
180.00195	2.4
181.00317	3.1
181.05069	78.3
182.05396	1.9
191.05641	3.6
193.01381	1.6
273.03098	1.3
287.10306	1.6
305.06717	2.0
313.05600	19.8
317.03162	14.0
318.03244	13.5
319.03564	28.5
319.96573	1.3
340.13904	1.5
343.06680	3.6
343.10406	15.7
344.10849	2.3
363.12015	1.4
457.07883	3.5
495.11618	81.0
496.11697	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	495.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.9
67.01884	1.2
69.03465	0.9
71.01379	2.1
71.55601	0.8
72.99318	0.9
73.02953	0.9
81.03459	1.0
83.05019	1.1
85.02944	2.7
86.02003	0.5
87.00878	2.1
89.02471	0.5
89.23533	0.5
93.03465	11.7
95.01372	0.9
96.95979	0.5
97.02945	0.8
97.54436	0.5
99.00882	0.9
99.04521	0.7
107.01389	10.1
109.02982	0.9
111.00890	1.0
111.04520	5.7
113.02453	1.4
119.05035	6.7
121.02946	5.8
122.17152	0.5
123.00883	3.7
124.01683	0.9
125.02448	58.3
126.02789	2.2
127.03984	1.0
135.04440	0.6
137.02428	5.4
139.00371	1.5
140.01147	0.8
143.03526	0.7
151.00352	3.1
153.01921	1.0
155.03506	8.5
163.00427	0.9
163.03993	1.5
167.03481	0.9
168.00635	0.9
169.01421	100.0
170.01787	3.6
173.04552	20.0
174.04887	0.7
175.03940	0.6
178.99817	0.6
181.05025	0.8
191.05602	18.1
191.07314	1.1
192.05898	0.6
193.01425	0.6
201.05576	0.9
211.02457	1.1
241.03638	0.6
245.04639	1.0
290.83978	0.5
305.06573	0.9
313.05637	7.6
325.05637	15.0
326.06042	1.5
343.06680	34.9
344.07050	1.9
433.11447	1.5
435.09293	5.2
459.11435	0.7
477.10663	4.0
478.11240	0.5
495.08057	30.0
496.08383	3.1
496.13086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01382	13.4
61.53513	1.2
61.98826	1.9
63.02396	2.1
65.00329	2.0
69.44750	1.3
71.01379	3.9
71.54527	1.6
74.43298	1.1
75.00892	2.4
79.48916	1.2
80.63900	1.1
81.03468	1.4
83.01389	2.4
85.02972	3.7
88.98819	2.0
93.03471	1.4
95.28526	1.2
96.96024	3.7
101.02445	1.8
107.01405	9.8
107.04989	1.2
109.02968	6.9
109.06588	2.3
110.03343	1.4
111.00893	2.1
113.02451	3.4
119.05011	2.9
121.02916	5.9
123.00903	9.0
124.01682	1.8
125.02446	69.8
126.02792	3.8
132.69313	1.4
135.04567	3.7
137.02435	7.7
137.06087	28.2
138.02849	2.3
139.00351	1.3
139.02951	1.4
140.01205	1.8
151.00386	14.2
152.00748	4.8
153.00829	3.3
153.01950	1.9
161.02371	2.7
167.03490	2.9
168.00639	1.6
169.01427	100.0
170.01802	7.3
171.01900	2.3
171.85555	1.3
178.99854	7.4
180.00195	2.4
181.00317	3.1
181.05069	78.3
182.05396	1.9
191.05641	3.6
193.01381	1.6
273.03098	1.3
287.10306	1.6
305.06717	2.0
313.05600	19.8
317.03162	14.0
318.03244	13.5
319.03564	28.5
319.96573	1.3
340.13904	1.5
343.06680	3.6
343.10406	15.7
344.10849	2.3
363.12015	1.4
457.07883	3.5
495.11618	81.0
496.11697	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	495.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43176	0.9
59.01382	1.2
67.01876	1.7
68.22895	1.1
69.03469	1.0
69.45503	4.5
69.45926	2.6
70.14841	0.9
71.01377	2.5
73.02937	1.6
74.66012	0.9
78.95894	6.6
81.03439	1.2
83.05025	1.5
85.02950	6.5
87.00876	9.5
87.63680	0.9
91.31976	1.1
93.03455	11.3
98.71347	0.9
107.01398	10.0
111.00840	1.5
111.04497	5.7
123.00862	1.7
125.02449	49.1
127.04041	2.0
137.02441	5.7
150.97971	2.6
152.99591	3.1
155.03511	8.6
169.01416	100.0
170.01724	3.5
171.00549	1.8
173.04562	18.7
175.02437	3.7
179.36122	1.0
179.99861	1.0
191.05611	70.6
192.05884	2.4
193.01370	1.7
217.03419	1.5
281.31122	1.1
303.07147	1.6
313.05679	1.5
325.05643	13.5
343.06677	59.8
344.06943	4.0
357.74942	1.2
477.06311	1.4
495.07407	31.0
496.08093	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	495.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43201	0.5
57.03448	1.2
58.64430	0.6
59.01378	2.8
59.58569	0.6
61.98830	100.0
62.00975	0.5
67.11336	0.6
69.03465	0.8
71.01376	3.0
71.03391	1.2
72.99317	0.8
75.00870	0.9
85.02956	2.5
89.02448	0.6
93.03493	0.8
96.96025	0.8
97.02988	0.7
101.02469	1.5
105.03468	0.6
107.01403	2.7
108.02233	0.7
109.02973	3.0
111.00892	0.7
113.02444	1.6
115.03175	0.5
121.02975	1.2
122.03691	0.7
122.82115	0.6
123.00909	2.8
123.04540	1.0
124.01629	0.9
125.02446	30.2
126.02817	1.8
135.04539	1.6
136.05051	0.5
137.02480	1.6
137.06120	1.3
138.02011	2.0
138.05589	0.7
139.00385	1.8
140.01180	1.2
149.02490	0.6
150.03165	0.8
151.00394	2.6
151.04047	0.7
153.01888	0.9
161.02495	1.6
165.01958	2.3
166.02759	1.1
167.03523	1.6
168.00645	1.6
169.01424	49.4
170.01753	3.0
171.01912	1.5
173.04611	1.5
178.99925	1.6
179.03502	1.0
181.05080	3.4
191.05594	4.7
206.44914	0.6
287.10425	1.3
305.06866	1.5
313.05750	1.9
328.08466	0.6
329.08621	3.7
343.06656	7.0
343.10345	1.2
451.12326	3.3
457.07950	2.2
495.11667	15.1
495.21118	3.5
496.11945	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	495.078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66351	0.6
67.01892	1.6
69.03451	1.2
70.64236	1.5
70.64573	0.9
71.01393	1.1
73.05489	0.6
81.03454	1.3
83.05025	1.8
85.02961	3.3
87.00873	2.4
93.03464	13.5
95.01393	0.8
97.02966	0.7
98.20691	0.7
99.04520	0.9
104.93591	0.6
107.01382	13.1
109.02948	0.6
111.00941	0.7
111.04523	6.7
123.00918	1.5
124.01686	1.0
125.02450	60.0
126.02759	2.2
127.03989	1.1
137.02428	5.6
139.00342	1.0
155.03497	10.0
169.01427	100.0
170.01732	3.8
173.04532	21.5
176.74120	0.7
191.05615	36.6
192.05930	1.0
193.01483	0.7
201.05545	1.2
219.06728	0.9
245.04646	0.8
246.37604	0.7
280.91428	0.6
307.04419	1.0
325.05615	17.9
343.06693	46.1
344.06958	2.9
477.06583	0.9
495.07776	39.7
496.08044	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	494.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16079	0.8
54.68760	0.8
59.01381	7.5
61.98830	100.0
69.03462	1.0
69.55886	1.6
69.56299	4.0
71.01378	4.3
73.02936	1.5
83.01379	1.0
85.02954	2.5
90.98988	0.8
96.96010	1.1
98.20622	1.5
101.02456	1.8
113.02421	1.5
118.25900	0.8
120.41765	1.0
125.02428	3.8
138.01952	3.4
153.01875	1.0
167.03415	1.6
169.01367	5.4
191.03523	1.5
227.03485	6.1
255.02983	9.5
284.03323	10.7
285.03992	10.1
331.24942	1.5
333.09763	5.2
341.06683	1.1
419.03958	1.2
431.09830	20.9
432.09625	1.2
493.30374	5.5
494.17914	1.1
494.30527	1.9
495.15311	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	493.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54307	100.0
109.18548	95.9
146.71225	87.2
396.82516	99.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14226	0.3
52.73524	0.3
52.95795	0.3
57.03448	1.9
59.01377	2.3
61.98826	0.9
69.03481	0.3
69.23589	1.6
69.24026	1.4
71.01369	1.6
71.05029	0.4
73.02960	1.0
75.00880	1.1
81.03465	0.4
85.02939	0.7
87.00889	0.4
87.04530	0.6
89.02451	0.4
90.59629	0.3
95.01402	0.3
96.96039	0.4
97.06595	0.7
98.19872	0.6
101.02473	0.3
107.98986	0.3
109.06601	0.6
113.02476	0.7
117.40049	0.3
123.08176	0.9
125.02428	1.0
135.02957	0.4
135.04535	0.4
135.08163	0.6
136.05273	0.4
136.32339	0.3
138.06856	0.3
139.11298	0.7
141.09209	0.3
141.12779	0.4
142.08394	0.3
145.02997	0.3
149.94655	0.3
151.00432	0.4
153.09222	0.5
157.12366	1.9
161.01291	0.3
161.02368	1.7
169.01393	0.9
169.12372	1.3
171.13869	0.3
177.01869	0.6
185.11804	3.0
211.02435	0.5
215.12851	0.9
254.07259	0.3
271.04630	0.4
311.22147	0.8
327.21561	0.4
327.25302	0.6
329.23264	3.4
331.08371	1.6
331.24915	0.4
339.25266	0.6
357.26410	3.8
358.26788	0.4
373.25922	3.4
374.26224	0.6
375.27478	100.0
376.27786	9.2
393.80045	0.3
415.88776	0.4
449.17932	0.4
492.21777	0.4
493.30139	30.8
494.30658	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	493.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11044	1.7
55.50900	2.1
57.03431	1.8
59.01371	5.1
61.98811	2.9
65.95992	1.8
69.03458	2.7
69.18954	3.9
69.19354	17.1
71.01373	3.0
71.78468	1.8
73.02942	2.7
78.95471	3.8
78.95908	51.1
80.20066	2.0
83.01409	2.4
83.05052	3.6
90.69184	1.8
96.95969	2.3
97.06579	4.9
110.98540	27.6
111.95600	2.2
121.02938	2.9
122.03699	3.5
123.04527	2.6
125.02442	6.8
125.09725	5.5
136.05280	2.3
137.00060	3.7
137.02396	2.4
137.09665	2.7
151.11282	2.4
152.99525	2.5
163.07622	2.9
163.11310	3.7
167.01134	8.3
167.10762	6.3
167.14366	5.5
168.19592	1.9
169.01411	11.0
171.00633	2.2
171.10254	5.6
178.68660	2.0
181.12323	2.8
185.02162	20.2
185.11821	3.8
191.14409	4.3
193.15987	2.9
207.17654	2.4
209.11774	18.7
225.11317	2.8
231.17416	2.9
239.12999	2.6
239.62346	2.2
245.19060	8.3
249.18600	33.4
250.18787	2.7
275.16562	20.8
281.21204	6.1
289.18063	16.1
293.17590	71.3
294.17938	3.3
307.19193	6.6
325.20187	100.0
326.20508	7.7
493.21622	19.3
493.27805	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	493.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98830	34.5
69.28020	41.0
71.01383	35.2
73.02953	36.0
75.00860	7.0
78.95903	6.7
81.03452	9.7
83.01395	14.8
85.02952	12.4
89.02452	10.9
95.05071	5.6
96.96005	17.3
97.02956	4.8
101.02416	27.1
109.02966	6.4
113.02453	15.4
113.42136	4.0
123.04533	35.3
125.02463	38.6
135.04498	6.1
136.05325	5.2
137.02388	6.3
137.06122	29.8
145.02988	8.4
151.00403	8.7
151.03951	5.8
153.94589	4.2
161.02463	15.4
161.04593	9.1
164.08400	4.4
165.09250	5.9
167.03505	76.9
169.01387	19.2
177.01962	13.2
181.05070	71.1
191.03511	18.8
197.11798	5.7
205.05063	8.4
209.11810	6.3
253.09303	7.7
289.07095	6.0
317.02774	7.4
325.20154	7.3
331.08105	18.5
331.24841	13.4
345.26541	9.7
375.27277	11.2
393.26663	5.2
444.08563	10.2
463.10120	7.9
475.10132	10.5
482.14594	5.2
493.11942	15.1
493.21619	11.0
493.30338	61.6
494.17047	4.3
494.31006	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	493.1138
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
51.49414	0.5
57.76258	0.6
59.01361	1.0
61.98820	1.5
63.02378	0.9
65.00333	2.3
75.00867	2.1
83.01369	1.8
90.43497	0.6
96.95995	1.0
98.19745	1.2
107.01389	4.6
121.02940	0.7
125.02419	3.5
132.02165	1.0
133.02950	13.7
137.02429	1.1
149.02402	3.3
151.00363	8.8
163.07571	0.7
167.03447	1.1
169.01418	2.6
171.04559	0.8
175.03972	3.7
179.10840	0.7
183.04506	2.1
185.06116	0.7
198.03061	0.7
199.03943	4.1
201.01930	1.3
211.03993	1.3
217.05006	2.3
227.03452	2.9
229.41174	1.0
233.59372	0.6
241.05052	1.0
243.02997	1.5
255.02966	50.2
256.03729	35.4
257.04242	1.9
283.02454	71.9
284.03223	90.7
285.03998	100.0
286.04318	5.6
297.13083	0.8
317.02936	1.1
326.04147	1.0
327.05005	1.0
435.11166	0.7
475.10168	2.1
493.11490	11.6
493.19464	1.2
494.11923	1.5
511.90735	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86289	0.9
59.01385	7.4
61.98825	1.9
63.02398	1.1
65.00334	2.8
66.82849	1.0
69.22610	6.1
69.23032	3.6
69.36222	1.0
71.01373	5.4
72.99314	1.1
73.02943	1.5
78.00443	1.1
81.03485	1.6
83.01399	3.7
85.02943	2.7
87.00860	1.6
88.98813	1.7
89.02425	1.9
93.03468	2.4
95.01414	1.6
96.96043	1.4
99.00884	1.2
101.02440	1.8
107.01399	12.9
109.02937	6.3
113.02477	3.8
119.01546	1.0
123.00872	5.1
123.04521	1.2
124.01694	2.1
125.02451	45.9
126.02802	1.7
134.03758	4.0
135.04530	100.0
136.04849	3.7
137.02448	16.1
139.00383	3.0
140.01196	2.2
149.02408	1.0
151.00365	29.7
155.03485	2.0
159.04462	1.0
161.02457	3.7
163.00404	2.8
164.01244	1.1
164.62569	0.9
165.01985	2.9
167.03520	4.3
168.00688	3.7
169.01425	77.0
170.01830	2.1
173.04564	2.2
177.02010	1.1
177.05612	1.0
178.99898	19.5
179.03496	66.2
180.00154	1.0
180.03847	1.8
187.03952	1.0
191.05595	1.5
193.01492	2.1
200.03275	1.1
211.02530	3.8
227.03445	2.3
241.03502	1.5
243.03018	2.1
261.03888	1.2
271.02530	3.9
271.05023	1.5
289.03516	1.3
299.02109	2.2
305.06644	1.8
313.05630	38.2
314.06186	3.1
316.02368	1.2
317.03021	77.1
318.03351	5.2
325.05774	1.6
341.08875	6.0
345.11111	1.4
403.14969	1.6
432.33081	1.2
449.10706	5.6
493.10104	70.0
493.18652	4.6
494.10410	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0987
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
51.28879	0.7
59.01374	10.2
59.49062	0.6
61.98843	1.1
63.02369	0.6
65.92490	0.7
66.36845	0.6
69.49979	2.1
69.50411	2.8
71.01388	4.0
72.99320	0.8
73.02964	1.0
73.50587	0.7
75.00885	2.6
83.01403	0.7
85.02965	2.2
87.00885	1.0
89.02444	2.0
95.01353	0.9
96.99494	0.8
97.02910	0.8
99.00877	1.1
101.02438	1.2
107.01394	2.3
113.02443	3.1
123.00908	0.9
124.01596	1.1
125.02442	10.4
139.00333	0.8
139.11305	2.0
140.01128	1.1
151.00317	3.7
161.25682	0.7
163.00316	1.2
164.01160	1.1
168.00652	3.0
169.01434	11.6
178.99872	1.2
181.12308	1.2
182.46724	0.6
183.10300	2.2
187.04007	2.1
191.03435	0.9
203.03529	2.0
211.02463	17.7
211.04399	1.4
212.02884	1.0
213.01869	1.1
215.03427	4.4
217.01213	0.8
223.06090	1.3
231.02942	2.9
241.01331	1.3
241.03593	1.1
243.02972	3.2
249.06219	1.4
259.02426	7.3
260.02734	0.9
264.13593	0.7
271.04688	28.0
287.01962	48.7
288.02292	3.7
315.01450	100.0
316.01996	12.9
330.03839	11.8
331.03790	5.5
345.19070	0.9
433.24438	1.8
478.07208	2.7
493.09882	77.8
493.19153	13.8
494.10190	8.0
494.17596	1.2
498.06967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.7
68.10490	0.9
69.03426	1.0
71.01402	1.4
85.02970	1.2
95.01337	1.1
97.02921	1.2
98.19803	1.8
107.01374	2.5
107.05032	1.0
109.02959	1.1
109.55527	1.0
110.10252	1.1
111.00852	1.1
113.02433	1.2
123.00903	5.7
123.04538	2.2
125.02445	55.2
126.02754	1.7
134.03743	1.2
135.04526	77.9
136.04845	2.2
139.00409	1.9
143.60231	1.1
151.00348	3.6
161.02452	2.4
164.72032	1.0
165.01915	1.2
167.03450	4.9
168.00612	1.1
169.01425	100.0
170.01784	3.5
179.03497	69.9
180.03778	2.6
187.69261	1.1
188.92410	1.0
305.06735	2.1
313.05646	42.9
314.06030	3.3
341.08713	4.3
431.15842	1.8
457.07571	3.8
485.92838	1.2
493.09842	49.3
494.10196	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	493.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76514	0.9
63.08398	0.7
67.01884	1.4
68.17044	0.8
69.03461	1.5
69.79476	4.8
73.02942	1.0
81.03468	1.1
83.05025	1.5
85.02930	1.3
87.00866	1.4
88.98795	0.9
91.01888	2.5
93.03446	5.2
95.92529	0.8
107.01371	4.2
108.02198	1.1
111.04509	7.3
116.33360	0.9
123.00828	1.8
123.04545	9.1
124.01642	1.2
125.02445	50.6
126.02789	2.1
127.68131	0.8
135.04527	3.1
137.02444	3.5
152.01108	1.6
153.01894	0.9
155.03484	12.5
161.02446	1.1
167.03484	38.0
169.01414	100.0
170.01729	3.8
173.04544	19.1
179.03453	2.4
191.05586	1.2
245.04294	0.9
278.42184	0.9
305.06589	1.4
313.05524	1.5
317.03073	1.8
323.07642	3.9
325.05673	17.2
339.07230	1.1
341.08710	5.5
449.10785	0.9
457.07535	1.2
493.09857	16.6
493.17569	1.3
494.10153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43993	14.7
59.01373	59.7
61.98827	100.0
62.30694	16.4
65.56464	15.1
72.15735	15.2
77.80491	21.2
94.89059	16.2
95.87730	16.1
98.20653	45.6
124.11324	16.1
130.79947	16.1
183.73042	19.0
218.21391	17.3
230.72508	20.3
232.07962	17.8
510.30786	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	493.0625
Annotation	Myricetin 3-glucuronide
Peak:m/z	Relative Intensity
55.25142	0.8
56.15303	0.8
59.01369	1.7
63.02391	2.6
65.00320	3.7
69.62115	5.7
71.01382	1.1
72.02792	0.9
83.01391	3.0
85.02943	1.3
93.03498	1.1
107.01392	10.5
109.02947	7.5
113.02457	1.8
125.02435	9.5
135.04509	4.0
137.02451	20.7
151.00368	38.9
152.00600	0.9
161.02457	1.0
163.00377	4.1
164.01268	1.1
164.65387	0.8
164.82339	0.9
165.01945	2.4
169.01418	13.8
178.99857	25.1
179.03424	2.5
180.00273	1.1
191.05545	1.4
193.01413	1.3
193.03574	1.1
203.03513	1.3
227.03484	3.8
243.02960	3.1
250.57236	0.9
271.02377	5.5
299.01889	3.9
306.87531	1.0
313.05579	3.1
316.02170	1.9
317.03012	100.0
318.03339	6.1
493.05780	17.0
494.06314	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.2
59.01374	3.6
61.98813	4.1
71.53815	1.8
71.54218	2.6
78.95905	37.9
80.50233	1.8
87.75972	1.6
90.85407	1.7
96.60928	1.7
104.50710	1.5
113.09747	3.3
122.00076	2.7
125.02460	3.6
140.01164	10.3
152.99600	4.0
169.01364	3.4
177.88390	2.0
195.13930	19.7
196.03758	14.3
201.73665	2.0
214.04872	4.9
277.21765	20.8
281.63919	2.3
295.22781	100.0
296.23108	9.4
325.23685	2.0
360.80545	1.9
492.27322	68.7
493.11176	2.1
493.27841	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	492.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	11.8
59.01359	5.1
61.98821	5.4
70.20525	2.3
70.29452	9.0
71.04985	2.5
78.95892	2.6
81.03459	19.3
83.01373	8.5
87.99570	2.1
93.03462	4.7
95.05011	11.0
97.02966	13.1
98.19936	3.6
99.04525	15.5
107.05034	2.9
109.02924	3.7
121.02950	5.6
123.04492	6.5
125.02446	100.0
126.02831	3.0
133.05362	2.9
134.06094	18.7
136.07680	2.9
137.02441	33.0
139.04042	7.2
151.03976	7.9
160.04070	2.2
165.01920	31.3
167.03490	92.7
168.03871	4.2
169.01381	7.1
181.05049	4.0
202.12398	4.8
204.10352	4.4
256.03729	3.1
283.02512	2.8
284.03372	4.5
285.04004	7.1
308.16452	4.3
317.02835	2.4
324.15964	4.2
326.17593	7.5
335.87918	2.2
336.16043	4.6
388.19183	2.5
430.20056	9.1
460.81985	2.5
474.19199	31.2
475.19464	5.8
492.20230	38.9
492.26877	4.7
493.20901	5.8
519.48267	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	491.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20567	0.4
56.79116	0.4
57.03451	0.8
58.00591	0.8
59.01382	5.4
61.98825	1.3
71.01379	2.0
72.99303	2.0
73.02937	1.1
75.00892	0.5
85.02957	1.9
87.04489	0.6
89.02422	0.4
93.03464	0.5
96.96017	3.8
97.06590	0.6
99.04448	0.4
101.02461	0.8
103.26633	0.3
113.02440	1.6
117.01907	0.6
121.10226	1.4
125.02420	1.2
125.09690	1.4
127.11259	0.4
134.73419	0.3
137.02451	0.8
137.09694	0.9
139.11299	1.8
141.12846	0.6
145.02979	0.4
145.05103	0.4
155.10750	0.4
157.12326	2.0
169.01385	1.3
169.12283	1.2
171.02977	0.7
175.51997	0.3
177.01820	0.4
178.47339	0.3
180.03795	0.4
183.13852	1.3
185.11861	3.6
189.04063	0.6
192.95660	0.3
213.11374	0.9
215.10886	0.7
215.12878	11.8
216.13223	0.5
295.22702	0.4
311.22263	0.5
313.23859	2.0
325.23865	1.3
329.10660	0.9
329.23444	0.9
341.23254	1.3
343.24866	12.2
344.25134	1.1
355.24924	3.6
356.25037	0.6
371.24442	1.0
373.25925	100.0
374.26273	10.3
374.29962	0.2
491.16556	1.0
491.22659	1.3
491.28613	37.4
492.28812	4.3
510.03073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2662
Annotation	Mucronine B
Peak:m/z	Relative Intensity
66.03487	1.1
70.73446	1.3
70.73804	0.8
71.02518	4.0
85.13144	0.5
89.00637	0.5
92.40353	0.6
98.01181	0.7
99.02021	0.7
99.26895	0.6
110.03564	1.3
111.02013	1.2
113.07222	0.6
115.08777	11.1
116.05038	2.0
118.06633	3.5
122.23846	0.6
125.02462	0.9
125.07227	3.3
126.05643	1.6
126.90520	0.6
131.05002	1.4
141.06705	4.6
146.06119	9.5
152.08342	1.1
153.06680	1.1
163.08755	0.7
168.07785	0.7
169.01315	0.8
169.13432	0.8
170.09323	3.7
173.07207	1.7
174.05615	0.8
179.11931	4.6
183.09198	0.6
189.06712	0.9
194.13138	0.6
196.14537	0.7
197.12932	1.1
200.10895	1.0
202.12340	0.7
214.15572	4.4
217.13420	0.8
227.11838	2.5
228.10278	3.1
240.07822	1.2
244.14388	0.9
245.12891	2.6
248.10683	1.1
262.15552	2.9
269.16074	1.3
276.10229	0.9
295.22800	1.1
299.96335	0.6
326.18814	4.6
344.19919	2.7
376.13620	0.6
426.34579	0.6
491.26624	100.0
492.27014	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	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21096	0.6
55.50621	0.6
57.03452	1.0
58.35071	0.6
59.01382	100.0
60.01714	1.3
61.98825	3.1
69.03466	0.7
71.01386	11.7
73.02951	4.9
75.00890	1.9
83.01374	3.3
84.26379	0.6
85.02960	5.1
87.00898	1.2
89.02446	3.9
95.01389	1.5
96.96038	0.8
97.02973	0.7
99.00902	1.4
99.04553	0.8
101.02447	7.9
102.02798	0.8
109.02974	1.3
113.02442	5.4
119.03500	1.3
125.02496	2.4
135.02980	0.9
143.03516	1.1
161.04541	3.1
169.01463	1.5
191.16319	0.7
199.48216	0.6
207.13788	3.1
209.11778	3.9
209.15399	0.9
225.14960	30.8
226.15407	1.5
227.16682	2.0
229.45979	0.8
241.05203	1.0
249.06169	1.1
251.12941	1.5
267.07324	0.9
267.16150	1.0
269.13947	13.9
269.17688	1.0
270.14438	1.2
271.02600	1.0
295.09415	0.9
300.02972	0.9
313.10895	1.2
315.05267	2.2
329.16183	22.2
330.16440	1.7
341.14212	0.8
344.12918	2.2
359.15079	6.3
360.15350	0.8
371.20734	7.7
389.21786	8.0
389.26505	0.8
390.22485	0.7
431.23535	6.8
447.19009	0.7
491.18512	7.1
492.20209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82789	0.9
55.66297	0.9
57.03452	5.0
58.00597	1.0
59.01101	1.7
59.01377	21.4
60.32990	1.0
67.01878	1.4
68.99816	2.0
69.44684	7.3
71.01379	31.8
71.01777	2.1
72.99310	8.3
73.02965	1.6
75.00874	25.2
83.01376	1.4
83.05029	2.2
85.02952	31.7
86.03326	1.0
87.00877	11.2
89.02462	7.2
94.47697	0.9
95.01396	7.4
96.95999	1.8
97.06593	4.4
99.00890	13.8
103.00374	3.5
111.08139	7.1
113.02452	44.1
115.00388	2.8
117.01954	3.7
118.49865	0.9
129.01936	3.3
130.87912	1.0
149.04570	1.1
157.01369	1.2
162.38332	1.0
163.11250	2.9
165.12848	48.7
166.13142	1.5
171.43199	1.1
175.02454	4.3
187.55447	0.9
197.15520	8.2
201.05539	1.2
205.07123	1.2
209.11812	2.7
223.08240	1.8
227.12849	1.8
231.05168	1.8
241.14409	11.0
249.06151	36.8
250.06380	1.7
267.07199	100.0
268.07495	5.0
318.16779	1.1
446.96072	1.1
491.21307	71.3
492.21625	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41745	0.7
55.01863	3.0
57.03449	5.7
57.49499	0.7
59.01381	22.1
61.98824	1.7
62.90326	0.7
69.03464	1.2
69.39845	6.2
71.01000	1.5
71.01385	25.9
72.99318	4.6
73.02962	5.1
75.00462	1.6
75.00874	26.3
83.01385	4.0
85.02950	34.7
87.00883	9.6
87.04505	1.3
89.02448	4.0
95.01406	5.1
96.96002	2.6
97.02943	1.2
98.19889	1.6
99.00883	11.8
101.02444	7.4
103.00343	1.4
111.00901	6.5
113.02454	34.3
113.03259	1.6
115.00362	2.9
117.01942	2.2
125.02448	2.8
129.01952	3.0
139.00380	0.8
157.01401	1.4
161.04510	1.9
169.01369	1.2
175.02541	4.4
187.67673	0.8
269.17563	1.4
299.02127	1.4
314.04327	1.0
329.06686	2.0
335.06311	2.5
373.25864	6.4
377.18387	0.8
489.12222	0.8
491.21335	100.0
492.21640	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	491.2132
Annotation	Jasminoside H
Peak:m/z	Relative Intensity
50.30178	0.4
55.01873	1.8
57.03443	6.1
59.01379	18.9
61.98819	1.0
62.91884	0.5
63.90918	0.5
67.01877	0.6
68.99810	0.7
69.03450	1.0
69.40160	4.1
71.01380	26.2
72.99313	4.8
73.02949	5.1
75.00871	26.2
79.87840	0.5
80.68713	0.5
83.01394	4.5
84.02163	0.7
85.02948	35.2
87.00880	8.3
89.02438	3.9
89.82016	0.5
95.01385	4.8
96.96000	2.3
97.02944	1.0
99.00880	10.0
101.02443	6.1
103.00356	1.0
111.00896	4.7
113.02452	30.1
114.02770	0.7
115.00368	2.8
117.01900	1.8
125.02463	1.6
129.01926	2.6
131.03545	0.6
157.01466	0.8
159.02960	0.9
161.04552	2.1
169.01382	1.5
175.02496	3.6
185.14970	0.5
201.31467	0.6
243.12596	0.5
257.17532	0.6
269.17780	0.5
271.02365	0.7
299.01892	1.6
314.04279	1.6
315.18173	0.7
329.06805	3.8
335.06186	2.3
344.35471	0.6
373.25922	6.7
374.26370	0.7
405.22870	0.6
411.36581	0.5
429.21490	0.7
473.20129	0.7
474.20078	0.5
491.21347	100.0
491.27496	3.5
492.21619	10.9
492.28763	0.8
505.52518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.7
58.64121	0.7
59.01382	10.1
65.56522	0.7
65.61641	0.7
67.01905	0.9
68.99810	2.0
69.03458	2.2
71.01379	11.9
72.99334	0.6
83.01413	2.0
83.05035	0.9
85.02951	13.6
85.67696	0.7
87.00873	5.2
89.02444	1.0
91.04029	1.6
92.33752	0.8
95.01402	2.6
97.06640	1.1
98.19793	0.9
99.00915	1.1
101.02399	1.0
108.02187	0.9
111.00882	2.9
111.08166	3.7
113.02455	16.1
125.02502	0.8
129.01950	1.4
139.00401	1.3
141.08249	0.7
157.01381	2.0
158.46785	0.8
165.12837	27.1
166.13142	1.2
181.12340	1.1
183.13895	100.0
184.14204	4.6
185.11862	2.7
189.04074	1.5
205.07188	2.1
209.11813	4.4
227.12889	11.1
228.13199	0.7
229.43588	0.8
249.06171	2.3
263.07739	6.9
281.08734	15.2
301.16629	5.9
373.25919	26.7
374.26212	2.0
415.19687	3.6
459.18814	7.3
460.19135	0.9
473.20306	3.2
491.21463	72.2
491.28592	6.8
492.21860	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	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82789	0.9
55.66297	0.9
57.03452	5.0
58.00597	1.0
59.01101	1.7
59.01377	21.4
60.32990	1.0
67.01878	1.4
68.99816	2.0
69.44684	7.3
71.01379	31.8
71.01777	2.1
72.99310	8.3
73.02965	1.6
75.00874	25.2
83.01376	1.4
83.05029	2.2
85.02952	31.7
86.03326	1.0
87.00877	11.2
89.02462	7.2
94.47697	0.9
95.01396	7.4
96.95999	1.8
97.06593	4.4
99.00890	13.8
103.00374	3.5
111.08139	7.1
113.02452	44.1
115.00388	2.8
117.01954	3.7
118.49865	0.9
129.01936	3.3
130.87912	1.0
149.04570	1.1
157.01369	1.2
162.38332	1.0
163.11250	2.9
165.12848	48.7
166.13142	1.5
171.43199	1.1
175.02454	4.3
187.55447	0.9
197.15520	8.2
201.05539	1.2
205.07123	1.2
209.11812	2.7
223.08240	1.8
227.12849	1.8
231.05168	1.8
241.14409	11.0
249.06151	36.8
250.06380	1.7
267.07199	100.0
268.07495	5.0
318.16779	1.1
446.96072	1.1
491.21307	71.3
492.21625	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32306	1.3
55.17352	1.6
57.03450	2.7
59.01381	29.7
68.52596	1.6
71.01379	10.6
72.99304	3.9
73.02942	1.8
75.00872	9.6
85.02950	10.8
87.00879	7.9
89.02444	3.9
96.96024	13.6
99.00870	4.9
105.01974	1.4
107.76579	1.4
113.02446	13.1
125.02438	3.0
127.19963	1.6
137.09724	4.7
141.21680	1.6
169.01422	3.0
170.01694	1.8
179.10767	2.9
181.08781	2.9
197.11800	2.2
212.02805	1.7
241.71840	1.5
244.12546	1.7
249.06136	14.5
251.84721	1.6
267.07034	9.2
271.02325	2.1
315.14407	2.7
316.02148	6.0
317.02649	3.1
392.81332	1.6
429.17566	2.7
431.15488	1.7
439.10440	7.7
440.10983	2.3
463.08844	6.2
473.16409	3.7
491.17667	100.0
492.18515	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30550	0.8
55.01886	1.2
55.48891	1.0
57.03453	6.4
59.01381	50.9
61.98833	1.6
71.01387	13.5
71.56203	1.6
72.99311	4.7
73.02943	2.9
75.00873	10.3
81.03429	1.1
83.01385	1.6
83.05037	1.0
85.02951	14.7
87.00878	6.1
89.02470	5.1
93.03472	1.7
95.01378	2.5
95.04955	1.1
96.14221	1.0
96.96016	5.1
99.00885	5.7
99.04516	1.7
101.02453	3.2
103.00359	1.4
105.03486	1.0
107.01301	1.0
108.02192	1.6
109.02971	1.6
111.04456	1.2
113.02449	16.0
115.00401	1.6
117.01929	1.7
119.03511	1.0
119.05029	4.2
125.01524	2.0
125.02448	40.4
126.02831	1.0
129.01874	1.0
135.04535	4.0
135.11758	1.1
137.02409	3.2
137.09680	5.1
138.85098	0.9
139.04030	1.2
152.01143	2.9
161.02451	16.3
161.04549	1.0
161.09694	2.0
162.02795	1.2
163.03975	1.6
163.07643	1.9
167.03497	2.1
168.00673	1.0
169.01469	5.7
175.02458	1.8
177.05569	1.8
179.03458	3.3
179.10788	3.9
181.08737	4.6
183.03015	2.2
197.11890	3.3
207.13882	2.1
209.11850	1.3
212.29980	0.9
223.09758	1.9
225.14923	5.9
249.06117	13.0
251.12875	1.0
267.07202	10.1
268.07953	1.0
269.04581	1.2
269.13931	6.8
287.05676	5.6
305.06796	1.5
315.14410	5.7
327.07419	1.1
329.16034	3.6
343.86697	0.9
356.32715	1.0
429.17688	2.8
431.15445	2.6
462.61172	1.0
473.16376	2.5
490.67014	1.5
491.17719	100.0
492.18051	10.6
502.94232	1.0
509.92343	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91308	1.8
59.01380	100.0
61.98824	5.3
71.01388	5.8
71.52486	2.0
73.02957	3.7
75.00869	4.4
76.38557	2.0
85.02959	2.0
87.00829	2.5
92.48050	1.7
96.96014	6.8
99.00886	1.7
101.02458	2.1
113.02477	2.5
117.80306	1.6
125.02467	4.3
135.03014	14.0
135.04520	2.8
161.02469	2.1
169.01443	3.4
181.12309	2.2
189.84813	2.0
207.13840	2.4
209.11699	3.9
225.11305	4.9
225.14961	72.2
226.15250	5.4
227.12791	5.3
227.16263	1.9
269.13898	22.0
270.14233	3.1
285.04022	2.4
287.14972	3.0
329.16068	23.5
387.16550	4.1
410.70178	1.9
447.18793	15.0
491.11728	7.4
491.18582	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	491.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98826	8.5
69.93186	7.7
71.01383	6.2
72.99309	1.7
73.02939	3.8
73.60114	1.6
75.00888	2.6
85.00748	1.5
85.02943	3.3
87.00872	3.9
88.98778	3.3
89.02437	3.0
96.96014	4.2
99.04453	2.0
101.02425	4.0
113.02447	2.9
113.37646	1.4
125.02437	4.2
127.85448	1.6
132.96611	1.6
135.03003	18.1
135.04488	1.6
137.02423	2.1
141.75938	1.5
161.04523	1.8
165.12733	2.0
169.01454	1.7
179.03586	2.1
181.12442	2.2
207.13922	3.1
209.11909	2.8
224.87138	1.6
225.14957	76.9
226.02617	1.7
226.15262	5.0
227.03487	2.3
227.12886	2.5
243.02942	3.1
243.12250	1.5
269.13889	22.9
270.14291	2.5
271.02380	4.0
285.04053	4.7
287.15039	3.6
299.01889	4.9
313.03427	7.7
328.05798	1.6
329.16025	19.4
343.13803	1.9
387.16309	2.1
447.18631	15.8
448.18994	1.6
461.07208	3.1
476.09647	3.1
491.11697	23.3
491.18747	3.8
492.12393	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	491.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59932	1.6
59.01373	3.7
59.17497	1.9
71.01372	7.6
71.54035	2.7
73.02947	4.9
75.00888	2.0
89.02454	23.2
92.84104	1.8
118.96240	1.7
122.20132	1.6
130.99771	2.1
131.03464	7.5
149.04544	100.0
150.04823	1.8
153.05544	1.8
232.86409	1.7
291.59576	1.9
491.14105	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	490.9979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17520	0.5
54.97717	0.4
59.01376	3.9
60.76376	0.4
61.98829	100.0
63.99250	1.2
71.54096	0.7
77.41235	0.4
86.90863	0.4
91.25632	0.4
92.55132	0.4
96.96006	1.0
103.94685	0.4
110.04921	0.4
111.02013	0.7
128.99925	0.4
162.98474	1.1
176.98099	2.3
201.02647	0.6
203.02306	3.1
203.99966	11.6
205.00110	7.3
205.99744	9.5
206.97435	39.3
207.93478	1.8
207.97638	2.1
251.66705	0.4
259.88943	0.4
347.01028	3.4
348.00925	4.7
348.98666	6.0
349.01944	1.9
349.98370	0.7
499.92346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1195
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
55.12528	0.6
59.01379	29.9
61.98832	6.1
69.42010	1.7
69.42429	3.8
71.01378	4.7
72.99322	1.0
73.02947	3.0
75.00861	2.1
77.25537	0.6
83.01356	1.2
85.02939	2.5
87.00856	1.8
88.98807	0.8
89.02425	1.8
96.95973	0.6
99.00872	0.8
101.02428	2.8
111.37710	0.7
113.02431	1.7
120.59585	0.6
121.03025	0.6
125.02445	2.5
131.55705	0.6
133.03020	0.6
135.02985	5.2
135.04507	4.7
151.00430	0.7
153.09245	0.7
160.01691	1.5
161.02446	3.8
161.04552	1.7
168.00549	0.7
169.01408	2.9
174.77661	0.8
175.03967	1.9
175.92877	0.7
176.46312	0.6
179.03496	4.2
185.02408	1.5
198.03220	2.0
199.03943	0.8
202.02803	1.3
214.02679	0.9
215.03557	0.9
225.11449	1.0
225.14980	11.4
226.02695	9.8
227.03471	5.4
227.12990	0.8
242.02254	3.2
243.02956	10.9
253.01477	1.5
269.14035	4.6
270.01660	7.7
271.02448	16.3
272.02734	1.2
274.01141	0.8
279.29968	0.7
284.03134	1.4
285.04031	16.5
286.04483	0.9
299.01965	16.1
300.02371	1.3
312.02686	1.4
313.03516	35.2
314.04239	6.4
315.05139	1.3
327.05023	1.4
328.02597	0.8
328.05847	4.5
329.06625	4.0
329.15997	2.9
337.09418	0.9
343.04553	3.6
343.21451	0.7
430.17728	0.8
431.22092	0.8
447.18417	1.1
461.07230	19.0
461.17908	1.9
462.07373	1.5
473.18069	1.5
476.09564	13.9
477.09848	1.7
489.02188	0.8
491.11902	100.0
492.12271	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	490.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12133	0.5
57.88832	0.5
59.01379	1.1
61.98809	1.7
70.30958	2.1
75.50758	0.5
78.95902	100.0
81.94002	0.4
96.96971	6.5
111.51433	0.5
125.02473	0.7
140.01180	0.6
150.32391	0.6
152.99585	16.4
154.00020	0.5
169.01422	0.8
171.00629	18.7
171.02121	0.9
179.04805	0.6
191.02997	0.5
226.26863	0.5
235.16949	0.6
293.21234	2.0
346.42047	0.6
416.22232	1.9
490.25739	59.7
491.25949	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	490.2574
Annotation	Zygosporin G
Peak:m/z	Relative Intensity
59.01371	4.0
61.98833	16.5
67.08258	2.0
69.34978	1.7
71.54409	2.0
71.54780	3.5
73.82948	1.8
78.95477	3.3
78.95906	50.9
81.18406	1.7
84.24309	1.8
107.41930	1.9
125.02493	2.9
140.01187	13.7
145.40480	2.8
152.99586	5.3
169.01378	2.9
179.14342	2.1
195.13942	13.6
196.03807	20.2
214.04846	5.1
223.13368	8.8
233.48637	2.5
275.20120	6.0
293.21237	100.0
294.21512	7.6
329.32883	2.2
427.20145	3.8
490.25745	72.3
491.26157	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72807	3.8
59.01379	100.0
96.95972	4.4
97.73492	3.3
109.78116	3.9
187.06990	3.6
229.48363	4.2
443.31314	3.5
478.49185	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	489.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85132	1.5
59.01379	100.0
63.93359	1.9
71.52539	2.4
76.56826	2.1
77.48070	1.5
78.86221	1.6
92.25854	2.0
96.07669	1.8
96.96032	2.9
121.40333	1.6
161.15431	1.7
188.64319	1.5
227.41476	1.6
355.32104	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	0.7
57.03377	1.6
58.00547	0.8
59.01312	11.4
61.98765	3.4
69.79153	0.6
71.01312	4.2
71.55415	1.1
73.02896	1.9
75.00829	1.5
83.04958	0.9
85.02894	1.8
85.06582	0.7
87.00832	0.8
89.02413	1.5
93.03417	1.4
94.78963	0.7
96.95962	0.9
97.02835	0.9
97.06516	2.3
101.02377	1.3
107.01318	1.5
111.00812	1.0
111.04467	1.0
113.02364	1.6
114.72210	0.7
119.04967	1.5
121.02794	0.8
123.00785	1.1
123.08109	1.7
125.02434	9.0
125.09708	3.8
134.67093	0.8
137.02423	3.5
137.09695	0.8
139.11191	1.3
153.09171	1.1
155.03427	1.0
155.10683	0.8
163.07591	4.5
167.03331	0.7
169.01416	11.6
171.08966	0.8
171.10248	8.5
173.04451	2.0
173.66396	0.8
185.11795	4.0
209.04405	1.1
214.12050	1.2
215.12793	1.1
223.09616	1.1
228.13632	0.9
239.05482	1.3
243.15747	1.0
311.22321	1.5
325.05646	2.0
341.23318	9.0
353.23288	1.9
369.22684	0.9
371.24362	100.0
372.24597	8.9
373.26053	0.7
459.17923	1.3
489.13171	1.1
489.27188	28.3
490.27283	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	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01379	100.0
60.01728	1.3
60.80557	0.5
60.99318	0.9
61.98836	2.1
67.01884	1.2
69.03458	1.4
69.52363	3.8
71.01378	8.8
71.14009	0.5
72.99308	1.2
73.02957	5.5
75.00877	1.9
83.01407	1.6
83.05037	2.0
85.02952	7.0
85.05105	0.5
87.00879	2.5
88.98808	7.5
89.02448	3.4
93.03462	6.7
93.03999	0.6
95.01382	1.1
96.95982	3.0
97.02935	1.0
99.00879	1.1
99.04491	1.1
100.31535	0.6
101.02450	7.9
107.01405	2.0
109.02974	1.1
111.00909	1.9
111.04520	4.9
112.03971	0.5
113.02448	5.0
114.54146	0.7
117.93773	0.6
119.03610	1.3
119.05028	42.7
120.05341	1.5
122.75113	0.6
123.00892	3.2
125.02452	18.2
126.02781	0.7
127.04080	1.5
129.01959	0.9
131.03473	0.7
132.22348	0.6
135.04497	0.6
137.02451	2.4
139.00377	1.3
140.01196	0.6
142.42545	0.5
143.03505	0.6
145.02922	2.0
147.04633	0.7
149.04544	2.0
151.00414	1.7
155.03493	6.8
158.07309	0.6
161.04555	3.4
163.04005	95.6
163.56607	0.6
164.04352	4.8
165.05429	0.6
166.05080	0.6
168.00650	1.0
169.01424	29.0
170.01788	1.1
173.00826	0.8
173.04538	14.0
173.80345	0.5
177.04073	0.7
178.99777	0.5
191.05614	35.4
192.06010	1.1
209.00908	1.9
211.02528	3.0
221.06683	1.7
249.06247	1.3
257.04572	2.1
267.07150	2.2
271.04474	3.2
281.00946	0.7
283.02606	0.9
283.10797	0.9
315.05109	2.3
315.14529	1.0
325.05603	3.9
337.09265	34.1
337.15347	1.3
338.09744	3.0
343.06863	2.9
371.09055	0.9
399.13095	3.3
409.05408	1.5
435.03369	0.7
445.17075	0.9
489.10150	8.1
489.19501	12.2
490.10229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.83636	0.7
57.03433	1.7
57.82224	0.9
58.17858	0.8
59.01376	20.8
61.98818	4.0
71.01376	12.6
72.99306	1.1
73.02938	2.7
83.01383	2.6
85.02947	5.2
87.00867	1.4
89.02458	4.2
92.02689	1.4
93.03458	39.7
94.03774	1.3
95.01365	3.7
96.96048	1.2
99.00864	1.1
101.02437	6.7
107.05020	2.0
108.02158	1.3
113.02432	5.7
119.03527	1.3
121.02940	2.0
123.04475	1.0
125.02443	5.2
129.21788	0.7
135.04529	2.1
136.01659	15.9
137.02440	100.0
137.09709	5.9
138.02773	2.5
138.59093	0.7
149.02434	3.1
151.04025	5.2
161.04578	1.2
163.07585	1.5
167.03520	0.7
169.01410	5.7
171.10252	1.8
179.03493	76.4
180.03810	3.7
193.12267	0.9
209.04535	29.9
210.04976	1.5
233.04533	1.3
239.05603	87.9
240.06015	4.3
281.06631	1.8
299.07706	12.7
325.05594	1.4
371.24271	8.4
445.18484	3.1
488.71786	1.0
489.21213	10.7
489.27063	10.1
490.21313	1.4
490.27652	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	489.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99114	1.2
51.49448	1.3
55.01863	1.7
57.03446	2.7
58.00585	2.7
59.01379	65.1
69.98678	7.1
71.01382	43.3
72.99293	3.1
73.02931	7.4
75.00847	3.2
79.95728	5.3
83.01381	3.1
83.05019	4.4
85.02940	14.6
87.00863	4.9
88.18797	1.3
89.02445	45.6
93.03458	16.4
95.01392	1.9
96.96001	22.4
97.02919	3.1
98.95613	1.8
99.00882	3.1
101.02451	12.5
107.01398	7.8
111.04520	15.1
113.02451	10.2
119.05023	20.0
119.67258	1.5
121.10231	11.3
123.00885	3.3
125.02445	58.2
126.02815	3.3
127.03954	1.8
129.01958	1.8
131.03535	12.1
137.02435	5.8
145.02940	6.0
149.04532	5.1
151.00389	1.8
155.03499	18.8
161.02420	1.6
163.02722	2.8
163.04001	37.1
164.04407	1.5
165.09200	7.6
169.01419	91.2
170.01765	6.2
173.04529	54.6
174.04893	1.6
188.04352	1.6
191.05598	8.7
241.14464	1.7
259.02768	3.6
259.52997	3.4
267.07159	2.8
270.48999	1.6
315.14456	100.0
316.14856	7.7
319.08047	3.3
325.05563	18.4
337.09174	7.5
337.14899	5.6
343.06683	11.7
415.12161	1.9
439.10483	5.6
440.10944	6.3
441.10754	2.9
489.10059	11.3
489.19571	50.0
490.10336	2.1
490.19965	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	489.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.9
58.02594	1.7
59.01381	61.7
60.04436	1.2
69.26340	3.9
69.26751	8.3
71.01387	15.3
73.02948	6.9
83.01389	2.0
85.02959	6.5
87.00877	2.1
89.02453	15.8
93.03522	2.2
96.96025	3.4
99.00881	1.4
101.02452	12.3
101.03943	3.0
103.04021	3.3
107.01375	5.0
110.00114	1.6
111.00895	12.5
113.02452	5.7
119.03487	6.1
123.00899	3.2
124.01677	4.0
124.59160	1.5
125.02457	46.9
125.52175	1.5
129.01952	2.2
131.03520	2.7
139.00348	4.2
139.03999	1.8
140.01147	3.2
143.03487	2.4
151.00343	1.7
154.99919	2.0
161.04549	1.8
163.04050	3.0
163.06125	12.0
168.00616	19.3
168.99977	3.3
169.01416	53.4
173.00883	4.9
173.04517	4.1
181.23167	1.5
183.02892	2.9
189.01846	2.3
205.07127	4.0
211.02484	80.2
212.02878	2.8
225.03999	3.5
232.66130	1.5
241.03604	2.8
271.04587	83.2
272.05008	4.1
315.05078	3.7
331.06525	2.6
337.09045	2.5
337.15039	26.9
338.15344	1.8
343.06543	3.1
489.16116	100.0
490.16623	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	489.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42329	0.8
57.41063	0.7
59.01376	7.3
67.01917	1.1
69.03447	1.0
69.27218	3.0
69.27623	4.4
71.01376	0.9
74.08704	0.8
81.03438	1.6
83.05025	2.3
85.02956	2.1
87.00901	1.5
93.03442	8.9
95.01389	1.0
97.02972	1.0
97.94048	0.8
107.01415	5.7
111.00921	1.0
111.04523	9.7
113.02505	0.9
117.03449	1.2
119.05032	22.6
120.05311	1.2
124.01709	1.0
125.02448	51.1
126.02782	2.2
127.04053	1.4
137.02444	5.6
145.03001	5.4
148.81006	0.9
155.03499	15.7
156.03757	0.9
163.04004	33.8
164.04338	1.6
169.01422	100.0
170.01755	3.8
173.04547	27.1
191.05595	6.6
207.85403	0.9
248.34061	1.2
301.31689	0.9
319.08167	3.6
325.05618	19.4
337.09396	8.5
343.06693	16.0
489.03571	1.5
489.10333	21.6
489.16382	1.1
490.10828	3.0
492.39600	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39875	0.7
54.68665	0.8
59.01374	6.4
67.01911	1.2
67.20649	0.9
69.03432	1.1
69.26553	7.6
69.26891	1.1
71.01383	0.7
73.02940	0.7
75.00874	0.8
75.55138	0.7
81.03481	1.8
83.05022	1.4
85.02975	1.8
85.84967	0.7
87.00869	1.6
91.29092	0.7
93.03461	8.5
107.01378	5.9
111.00873	0.9
111.04521	9.8
116.49138	0.8
117.03452	1.4
119.05025	18.5
123.00954	0.9
124.01693	1.0
125.02444	53.7
126.02773	1.5
127.04025	1.5
134.97795	0.7
137.02464	4.8
139.50029	0.8
139.54715	0.8
145.02942	7.3
151.00388	0.8
151.89661	0.8
155.03516	18.7
163.04008	38.3
164.04376	1.6
169.01422	100.0
170.01770	3.0
173.04538	25.1
173.06032	1.5
191.05600	7.6
201.05542	1.0
319.08231	3.3
325.05640	21.8
337.09250	8.0
343.06644	14.9
398.59290	0.8
416.85605	0.9
489.10355	21.8
489.16290	1.1
490.10632	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93858	1.1
52.71709	0.8
57.03445	2.3
59.01370	2.6
61.97718	1.0
68.24310	0.9
68.99806	2.1
71.01373	5.1
71.55162	1.0
73.02930	1.2
73.26030	1.0
75.00893	1.9
76.57413	0.9
81.03449	1.1
83.01386	3.4
85.02948	6.1
86.00207	0.8
87.00874	3.3
89.02410	1.4
93.03457	1.4
95.01385	2.3
95.05009	1.0
96.96024	2.2
97.02959	1.6
99.00896	5.8
101.02422	1.7
105.01939	0.8
109.02908	1.7
111.00871	2.6
113.02443	8.1
113.99585	16.2
115.00396	8.1
123.00894	2.2
125.02454	21.9
127.00359	4.7
129.01938	3.9
137.02466	4.9
138.05626	2.0
139.00327	2.6
139.04039	3.1
141.02075	0.9
151.03952	2.0
156.00642	2.8
157.01433	6.0
161.02373	1.1
164.01237	1.6
165.01895	4.9
165.04016	2.1
167.03493	1.9
169.01405	6.9
174.01700	16.4
175.02509	2.1
177.01927	2.8
179.03487	3.2
183.03069	1.6
184.06160	1.4
197.04550	12.6
211.07849	1.0
226.89650	1.1
236.05418	1.0
243.93954	0.9
269.06757	1.4
271.04510	1.9
277.05652	30.4
278.05838	2.1
287.07745	1.5
305.06659	10.5
319.06744	3.8
337.07758	100.0
338.08038	6.5
345.06119	2.2
429.06689	3.2
453.10544	2.2
489.08838	53.9
490.08734	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.6
59.01380	3.6
61.98838	0.9
67.00138	0.5
70.72935	0.5
71.01384	2.7
71.54243	0.6
72.99324	0.8
75.00878	0.9
85.02947	2.3
86.62329	0.5
87.00892	1.0
88.10858	0.5
89.02442	1.7
93.03505	0.8
95.01402	1.1
96.96025	1.5
96.96951	0.7
99.00854	0.7
101.02444	1.6
110.61987	0.6
111.00874	0.6
113.02453	2.2
116.71669	0.5
117.03475	1.0
117.53340	0.5
119.05029	100.0
120.05346	3.3
123.00860	0.9
125.02455	6.4
126.02802	0.8
137.02435	0.7
139.00351	0.8
140.01181	0.6
145.02948	2.6
151.00354	1.3
152.52095	0.6
161.06044	0.6
163.04008	67.5
164.04346	2.7
168.00587	0.7
169.01413	6.3
170.01747	1.1
177.01894	0.9
187.03973	0.7
193.03522	2.9
205.05034	0.6
211.02361	1.6
235.04356	0.6
259.44528	0.5
271.04672	2.6
323.09818	0.6
335.13358	0.8
337.07724	1.5
355.08899	0.6
358.59247	0.6
424.09598	3.6
425.06799	1.1
487.14456	24.4
488.14709	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	487.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	1.6
59.01380	24.3
61.98840	1.3
62.33597	1.0
71.01377	14.8
71.02292	1.6
72.99316	1.6
73.03663	0.7
75.28193	0.8
83.01390	1.6
85.02966	2.3
89.02440	15.0
90.83290	1.2
95.01398	2.7
96.96011	14.2
101.02435	11.0
107.01378	3.7
109.03036	1.1
111.00848	1.8
113.02476	4.4
119.03521	6.2
119.05013	6.9
123.00877	4.5
124.01640	1.5
125.02440	16.3
139.00400	2.3
140.01135	1.7
151.00380	2.8
155.07123	1.5
163.03987	6.2
168.00627	4.4
169.01422	21.6
170.01700	0.9
173.08186	3.4
211.02483	20.6
212.02974	1.3
271.04578	25.2
313.05841	1.3
331.06808	2.8
335.13486	15.8
338.59882	0.8
389.10947	1.9
469.13486	2.3
487.14630	100.0
488.14810	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	486.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
59.01386	10.5
65.27805	0.7
69.66904	0.7
71.01391	4.6
71.10757	1.8
75.94090	0.8
81.54617	0.7
83.01378	0.8
85.02963	2.9
87.84783	0.7
89.02447	2.7
101.02431	2.5
109.01362	0.8
113.02469	0.8
125.02431	2.6
130.08743	100.0
131.09059	3.2
144.35954	0.9
151.00343	1.2
169.01419	3.3
183.03046	0.9
211.02403	1.6
212.02762	1.9
244.24634	0.9
271.04565	2.6
272.04919	2.0
306.20840	1.3
463.57288	0.9
485.70810	1.6
486.20798	5.2
486.27072	74.5
487.20923	0.9
487.27393	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	487.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
57.04532	0.2
59.01380	2.9
61.98821	0.4
69.54224	1.4
69.87476	0.2
71.01384	0.6
72.99320	0.3
73.02953	0.3
73.88549	0.3
82.00594	0.3
83.01380	0.4
85.02983	0.5
95.01392	0.4
101.02457	0.4
111.00893	1.5
113.02496	0.2
123.00903	0.8
124.01651	1.3
125.02419	1.2
127.00431	0.7
135.04517	0.5
136.98811	1.1
139.00385	1.8
140.01147	3.2
145.02948	0.5
151.00371	0.8
159.03079	0.3
161.02560	0.3
168.00658	5.0
169.01376	0.9
179.03441	0.4
179.10692	0.4
183.02989	100.0
184.03319	3.7
238.71053	0.2
335.04077	16.1
336.04419	1.0
486.20505	0.6
487.21942	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	486.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	39.4
59.74199	2.0
61.18428	1.9
69.27461	18.1
69.27794	3.2
71.01380	25.2
73.02929	3.1
79.73356	1.9
80.32946	1.8
82.02976	8.2
85.02939	5.4
87.00879	5.6
89.02450	37.1
94.89594	2.2
98.20767	3.3
100.04086	3.6
101.02422	11.8
108.02279	2.0
113.02429	12.1
119.03489	9.8
125.02393	2.8
126.01957	5.4
127.05150	2.8
131.03522	2.9
142.05112	4.0
143.03554	2.6
144.03040	43.2
144.06667	98.2
145.06134	18.1
161.04515	3.7
169.01343	2.6
175.02525	2.5
179.05644	18.9
191.05534	2.5
341.10870	100.0
342.11166	4.4
401.93411	2.1
427.59991	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	486.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91780	0.7
79.91674	0.6
88.04042	52.9
147.08160	2.3
149.09706	2.2
160.90831	0.6
163.11259	2.4
187.11278	2.5
265.12329	0.7
279.13828	0.8
280.14532	1.4
307.16870	0.7
309.22287	1.9
337.21722	100.0
338.22058	10.2
486.26840	11.2
487.27048	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2707
Annotation	Broussonetine X
Peak:m/z	Relative Intensity
56.92540	0.7
59.01380	8.6
64.91270	0.7
70.29951	1.6
70.30336	2.3
71.01385	5.1
85.02937	1.3
89.02436	2.3
98.20487	0.8
101.02427	2.2
101.90442	1.0
110.69720	0.8
113.02425	2.2
119.03545	1.0
125.02444	1.6
130.08737	100.0
131.09090	2.3
154.63635	0.8
169.01396	1.6
170.01787	1.1
211.02437	1.6
212.02809	1.5
212.30542	0.8
271.04510	2.4
272.04971	1.9
306.20618	1.0
344.38040	0.8
486.20731	5.6
486.27023	76.8
487.27451	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	486.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61592	1.5
59.01372	4.6
61.98834	8.5
71.01376	7.2
71.52080	2.5
85.02958	3.6
89.02475	2.2
95.01416	1.6
96.96017	2.6
101.02438	3.4
107.01384	4.0
108.02189	2.5
109.02943	10.3
111.00867	2.0
113.02439	1.9
119.05023	2.8
123.00892	11.0
124.20194	1.7
125.02454	26.8
126.02762	2.6
136.07654	2.2
139.00359	3.0
140.01178	2.5
151.00374	7.8
163.04004	2.9
168.00630	3.7
169.01419	36.7
170.01802	2.3
211.02411	2.3
271.04584	4.3
292.95038	1.6
313.05576	7.1
371.43979	1.6
423.09314	100.0
424.09830	8.1
463.93539	1.7
486.13034	3.3
487.14679	9.7
497.73349	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35185	1.3
58.46878	1.1
59.01379	6.2
61.98839	7.0
65.31625	1.1
70.43948	1.2
71.01379	5.0
71.55515	2.0
77.35590	1.4
83.01368	1.5
85.02962	2.7
95.01402	2.2
96.95999	2.0
97.02965	1.2
99.00889	1.2
101.02444	1.8
107.01411	3.8
108.02200	3.1
109.02927	6.9
113.02451	3.7
119.05046	5.8
123.00876	9.8
124.01698	1.5
125.02451	26.3
137.02490	1.6
138.28528	1.1
139.00371	5.3
140.01073	2.4
151.00348	8.5
163.04025	4.6
168.00659	3.9
169.01424	37.7
170.01703	1.8
211.02432	2.1
211.89928	1.3
271.04526	3.2
305.03119	1.4
313.05655	9.9
359.16141	1.3
423.09335	100.0
424.09705	9.3
487.14389	7.2
507.42490	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2024
Annotation	DHP-mOx-NS-DHB
Peak:m/z	Relative Intensity
57.03423	0.9
59.01381	13.5
61.98816	1.9
67.01869	1.7
69.03432	0.9
70.16232	1.6
70.16621	1.5
71.01390	7.4
72.99315	0.9
73.02940	1.7
79.01895	1.6
79.97787	0.7
83.01384	2.1
85.02961	2.4
87.00896	1.2
89.02454	3.2
95.01378	2.9
96.96002	2.8
98.19881	1.0
99.00884	1.0
101.02434	3.2
107.01385	6.6
109.02991	0.7
111.00881	4.3
113.02437	3.5
123.00892	16.8
124.01688	1.4
125.02454	30.8
126.02755	1.6
127.00372	1.9
127.11252	0.7
130.08765	1.4
136.98801	2.0
137.02458	1.0
139.00366	8.7
139.03935	1.1
140.01152	5.4
141.01959	1.7
143.04610	1.1
151.00343	10.2
165.01933	0.8
165.05548	0.7
167.03481	2.0
168.00629	8.5
169.01424	45.1
170.01833	0.9
183.02948	3.2
211.02483	43.2
212.02798	1.7
241.03505	2.4
271.04581	74.0
272.04938	4.2
277.74759	0.7
313.05661	0.8
331.06757	7.4
411.11487	1.6
440.32297	0.8
484.65125	1.5
485.20291	100.0
486.20584	11.6
486.27274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.9
59.01381	13.5
61.98816	1.9
67.01869	1.7
69.03432	0.9
70.16232	1.6
70.16621	1.5
71.01390	7.4
72.99315	0.9
73.02940	1.7
79.01895	1.6
79.97787	0.7
83.01384	2.1
85.02961	2.4
87.00896	1.2
89.02454	3.2
95.01378	2.9
96.96002	2.8
98.19881	1.0
99.00884	1.0
101.02434	3.2
107.01385	6.6
109.02991	0.7
111.00881	4.3
113.02437	3.5
123.00892	16.8
124.01688	1.4
125.02454	30.8
126.02755	1.6
127.00372	1.9
127.11252	0.7
130.08765	1.4
136.98801	2.0
137.02458	1.0
139.00366	8.7
139.03935	1.1
140.01152	5.4
141.01959	1.7
143.04610	1.1
151.00343	10.2
165.01933	0.8
165.05548	0.7
167.03481	2.0
168.00629	8.5
169.01424	45.1
170.01833	0.9
183.02948	3.2
211.02483	43.2
212.02798	1.7
241.03505	2.4
271.04581	74.0
272.04938	4.2
277.74759	0.7
313.05661	0.8
331.06757	7.4
411.11487	1.6
440.32297	0.8
484.65125	1.5
485.20291	100.0
486.20584	11.6
486.27274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.2
55.70512	2.1
57.03438	7.6
58.00574	2.4
58.09275	1.8
59.01107	2.6
59.01382	38.3
59.01822	2.1
60.88650	1.8
69.03439	6.9
71.01385	28.1
72.99305	5.0
73.02944	21.0
75.00848	2.6
78.95876	2.3
81.03452	6.6
82.03030	2.5
83.01378	5.8
83.05015	10.3
85.02950	100.0
86.03295	2.8
87.00874	92.6
89.02439	5.7
95.01396	10.6
96.96930	2.4
97.02953	37.1
99.00880	6.7
99.04501	7.0
101.02435	9.8
103.04026	11.6
109.02946	13.7
111.00841	2.5
113.02448	73.4
115.00355	7.4
125.02442	3.9
127.04008	33.1
129.01929	3.5
131.03493	4.1
139.00403	3.6
140.39525	2.1
142.99829	2.0
144.03027	11.7
144.06731	4.3
145.04016	1.1
145.05069	34.7
157.01460	11.0
175.00981	3.9
175.02477	71.6
176.02782	2.4
179.05580	3.6
191.05551	3.7
217.03519	39.7
218.03951	2.9
235.04546	5.7
245.50371	2.1
261.06018	2.1
263.53024	1.8
303.07208	23.0
321.08249	12.8
339.09189	6.6
341.10840	8.2
344.18054	1.8
369.99982	2.0
381.10367	63.8
382.10648	4.0
425.51404	2.0
467.14075	14.5
485.14774	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	485.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.2
55.70512	2.1
57.03438	7.6
58.00574	2.4
58.09275	1.8
59.01107	2.6
59.01382	38.3
59.01822	2.1
60.88650	1.8
69.03439	6.9
71.01385	28.1
72.99305	5.0
73.02944	21.0
75.00848	2.6
78.95876	2.3
81.03452	6.6
82.03030	2.5
83.01378	5.8
83.05015	10.3
85.02950	100.0
86.03295	2.8
87.00874	92.6
89.02439	5.7
95.01396	10.6
96.96930	2.4
97.02953	37.1
99.00880	6.7
99.04501	7.0
101.02435	9.8
103.04026	11.6
109.02946	13.7
111.00841	2.5
113.02448	73.4
115.00355	7.4
125.02442	3.9
127.04008	33.1
129.01929	3.5
131.03493	4.1
139.00403	3.6
140.39525	2.1
142.99829	2.0
144.03027	11.7
144.06731	4.3
145.04016	1.1
145.05069	34.7
157.01460	11.0
175.00981	3.9
175.02477	71.6
176.02782	2.4
179.05580	3.6
191.05551	3.7
217.03519	39.7
218.03951	2.9
235.04546	5.7
245.50371	2.1
261.06018	2.1
263.53024	1.8
303.07208	23.0
321.08249	12.8
339.09189	6.6
341.10840	8.2
344.18054	1.8
369.99982	2.0
381.10367	63.8
382.10648	4.0
425.51404	2.0
467.14075	14.5
485.14774	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	485.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19201	0.3
59.01376	0.8
62.21536	0.3
64.85677	0.3
66.59459	0.3
69.03463	1.8
69.36721	2.7
69.37044	0.3
71.01387	0.7
72.03075	0.3
73.01337	0.4
78.46705	0.3
79.01902	1.0
80.25447	0.3
81.03446	0.8
85.02954	0.8
95.01377	0.8
97.02950	1.3
98.20573	0.8
101.02473	0.6
107.01391	5.4
123.00887	3.2
124.01712	0.4
125.02445	64.0
126.02793	1.8
133.66141	0.3
139.00381	0.8
140.01111	0.4
151.00320	2.7
163.06104	1.8
168.00636	0.5
169.01421	100.0
170.01787	3.9
171.01936	0.6
195.38927	0.3
204.25768	0.3
211.02444	0.8
212.02835	0.4
213.02856	0.5
223.44550	0.3
246.91052	0.4
271.04575	0.6
315.07217	5.4
316.07407	0.5
333.08224	3.4
425.06207	1.0
485.09271	24.2
486.09418	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	484.11
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87986	1.9
59.01385	20.4
61.98828	18.3
69.72855	2.0
71.01389	12.0
71.56214	2.5
72.99308	3.4
75.00863	3.6
81.71664	2.1
83.01351	2.9
85.02945	7.4
87.00863	3.7
89.02460	3.4
93.03416	2.0
95.01365	3.5
96.96000	7.9
99.00856	3.0
101.02454	9.8
107.01395	6.7
111.00859	4.7
113.02438	4.0
123.00909	22.2
123.04573	2.5
125.02449	42.6
126.02814	3.7
130.08754	3.3
134.84889	1.9
135.04498	3.6
137.02441	3.7
139.00371	5.3
140.01103	6.2
141.01920	2.1
151.00360	15.2
152.03455	2.8
153.02036	2.3
159.50674	2.1
167.03441	3.0
168.00603	9.3
169.01407	42.9
170.01784	6.8
177.04123	3.4
177.05533	2.1
179.03523	4.0
211.02513	2.6
220.99001	2.4
240.43346	2.0
297.29022	2.2
305.06573	3.5
373.86002	2.3
397.24005	2.2
421.11407	100.0
422.11819	8.2
452.18228	2.3
483.18845	3.2
484.19211	44.1
485.15332	17.9
485.19873	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	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17787	0.4
54.30595	0.4
63.73083	0.5
66.95692	0.5
70.94878	1.2
75.50960	0.5
78.95903	18.5
86.79240	0.5
96.96965	1.3
103.62398	0.4
124.62263	0.5
129.02603	0.4
149.67677	0.5
150.97943	0.6
152.99582	26.7
171.00627	1.8
181.95224	0.4
227.03267	5.1
245.04347	0.9
255.23294	100.0
256.23645	7.6
483.27280	49.9
484.27609	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	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03886	0.9
61.39991	0.9
61.66632	0.9
72.52043	1.0
78.95905	17.2
87.83531	0.9
96.96931	1.6
98.20679	1.9
103.51025	0.9
119.85012	1.2
152.99591	30.7
159.06294	1.1
171.00722	1.1
227.03230	3.8
229.22156	1.1
248.21075	1.1
253.99866	1.1
255.23293	100.0
256.23682	6.6
279.44974	1.1
295.46976	1.0
313.93222	1.1
338.25690	0.9
478.04233	1.2
483.27252	49.5
484.27682	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	483.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03450	5.0
57.18567	0.5
58.50982	0.5
59.01102	0.7
59.01381	11.2
61.98840	1.1
66.53465	0.8
67.01870	0.9
69.03460	1.3
71.01381	22.1
71.55741	0.8
72.99302	3.2
73.02940	4.3
75.00871	23.5
81.03465	0.6
83.01379	2.8
85.02949	26.5
87.00874	8.3
89.02456	2.6
89.02920	0.6
91.72432	0.6
95.01395	4.9
96.96000	1.7
97.02954	1.0
99.00879	7.8
101.02432	7.4
107.01357	2.2
109.02962	0.8
111.00877	1.4
112.01611	0.7
113.02448	25.6
115.00364	2.2
117.01933	1.4
123.00893	2.3
125.02455	15.6
129.01938	0.9
137.02443	0.8
139.00395	1.4
140.01193	0.7
141.01932	0.8
151.00346	2.5
153.01927	1.4
157.01392	0.8
161.04517	1.1
167.03487	1.0
168.00693	3.1
169.01434	19.9
170.01762	1.4
175.02457	2.2
193.01485	1.5
209.21581	0.6
211.02525	4.8
233.04494	1.3
241.03542	1.0
271.04599	3.5
273.69736	0.5
284.86658	0.6
307.17596	2.4
313.05582	2.7
331.06659	2.1
423.05499	2.8
439.08728	2.0
465.20020	0.7
483.07928	11.2
483.20801	100.0
484.08240	0.9
484.21140	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	483.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03450	5.0
57.18567	0.5
58.50982	0.5
59.01102	0.7
59.01381	11.2
61.98840	1.1
66.53465	0.8
67.01870	0.9
69.03460	1.3
71.01381	22.1
71.55741	0.8
72.99302	3.2
73.02940	4.3
75.00871	23.5
81.03465	0.6
83.01379	2.8
85.02949	26.5
87.00874	8.3
89.02456	2.6
89.02920	0.6
91.72432	0.6
95.01395	4.9
96.96000	1.7
97.02954	1.0
99.00879	7.8
101.02432	7.4
107.01357	2.2
109.02962	0.8
111.00877	1.4
112.01611	0.7
113.02448	25.6
115.00364	2.2
117.01933	1.4
123.00893	2.3
125.02455	15.6
129.01938	0.9
137.02443	0.8
139.00395	1.4
140.01193	0.7
141.01932	0.8
151.00346	2.5
153.01927	1.4
157.01392	0.8
161.04517	1.1
167.03487	1.0
168.00693	3.1
169.01434	19.9
170.01762	1.4
175.02457	2.2
193.01485	1.5
209.21581	0.6
211.02525	4.8
233.04494	1.3
241.03542	1.0
271.04599	3.5
273.69736	0.5
284.86658	0.6
307.17596	2.4
313.05582	2.7
331.06659	2.1
423.05499	2.8
439.08728	2.0
465.20020	0.7
483.07928	11.2
483.20801	100.0
484.08240	0.9
484.21140	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	483.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91040	0.8
59.01386	4.2
63.40244	0.7
67.01891	1.6
69.53533	1.5
69.53942	3.9
71.01388	4.3
75.00874	1.3
79.01888	1.7
82.01044	0.7
83.01373	0.9
85.02934	2.0
87.00858	0.8
89.02467	1.1
95.01379	2.1
96.95991	0.8
98.38952	0.7
101.02432	2.2
107.01387	5.6
109.02934	1.1
111.00909	2.8
113.02490	1.5
123.00875	15.3
124.01701	1.6
125.02441	22.0
126.02739	0.9
127.00376	0.8
129.01939	1.0
136.98822	1.7
139.00336	6.5
140.01196	3.9
141.01967	1.5
151.00386	13.1
152.00633	0.7
163.00377	1.2
168.00636	4.1
169.01422	31.7
170.01781	1.2
177.04053	7.4
178.99831	1.2
179.84824	0.8
191.05528	1.2
211.02519	2.7
243.02971	2.5
255.02995	4.7
271.02356	9.6
271.04495	0.9
272.02707	1.1
283.02396	0.8
300.02734	17.7
301.03500	12.0
329.05243	2.1
404.81613	0.7
447.09290	23.1
448.09738	3.5
483.18701	100.0
484.19025	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	483.1889
Annotation	Globulusin A
Peak:m/z	Relative Intensity
52.68179	0.5
55.01891	0.6
55.17788	0.5
57.03451	0.9
59.01378	11.9
61.98818	1.2
65.00279	0.5
67.01881	1.7
69.03454	1.1
71.01382	5.7
72.99293	1.7
73.02938	1.5
75.00874	2.9
79.01893	1.3
81.03449	0.9
83.01384	1.4
85.02958	3.3
87.00825	0.7
89.02426	1.0
93.03452	1.0
95.01391	2.6
96.96030	2.8
97.02952	1.4
97.92197	0.5
99.00886	1.1
101.02440	3.4
107.01389	7.5
107.05045	0.7
108.02207	1.3
109.02960	3.2
110.00098	0.6
110.03265	1.1
111.00888	4.1
111.04498	0.8
113.02431	1.8
123.00881	13.3
123.04527	1.0
124.01671	1.9
125.02450	42.3
126.02757	1.6
127.00391	0.7
127.67433	0.5
129.01907	1.3
136.98769	1.6
137.02446	1.9
139.00386	4.9
139.03995	2.0
140.01187	4.3
140.07098	0.6
141.01894	1.2
145.02831	0.6
149.02423	1.0
151.00383	9.5
151.03979	0.8
154.89394	0.6
154.99875	0.6
159.03029	1.0
159.04416	0.6
161.02480	0.7
161.04567	0.8
163.00323	0.6
163.03941	0.5
165.01929	0.9
166.02612	0.6
167.03467	2.7
168.00639	6.5
169.01421	46.9
170.01796	2.0
173.04515	0.8
177.01941	3.1
177.04056	10.0
178.02296	1.8
179.02289	1.2
189.01979	3.6
190.02286	2.5
191.02467	1.4
191.05576	1.4
193.01445	1.3
205.12325	1.8
211.02484	7.9
217.01376	3.9
217.12163	1.1
218.01723	3.3
218.99893	0.6
219.01775	3.2
229.19839	0.6
231.39304	0.6
232.03502	0.6
261.11307	2.7
271.02161	1.1
271.04636	2.6
289.07376	0.6
299.04663	0.8
300.02686	1.6
301.03394	1.4
305.06708	1.3
313.05679	1.5
329.05130	3.1
341.06332	1.1
342.06906	2.3
343.07330	3.5
357.06015	1.0
358.06421	2.4
359.06723	5.2
372.08130	0.7
373.08481	1.3
373.29297	0.6
376.24606	0.6
423.05493	3.4
447.09488	2.6
483.07846	3.4
483.12653	5.0
483.18665	100.0
484.12268	0.8
484.19009	13.1
493.38004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1867
Annotation	Sachalinoside A
Peak:m/z	Relative Intensity
51.74270	0.5
53.14666	0.6
55.01880	0.6
57.03424	0.9
57.97001	0.5
58.81272	0.5
59.01098	0.8
59.01379	10.1
61.98840	1.3
67.01876	1.1
68.99781	0.6
71.01379	6.5
72.99299	1.5
73.02927	1.6
76.88725	0.5
79.01873	1.2
79.99732	0.5
81.03452	0.5
83.01381	2.5
85.02950	3.7
86.11855	0.5
87.00910	1.3
89.02439	1.7
95.01375	2.2
96.96013	1.8
97.02933	0.8
99.00901	1.4
101.02425	5.8
107.01390	3.2
109.06693	0.6
110.00170	0.8
111.00873	4.2
113.02434	2.4
119.03442	0.6
123.00884	12.7
124.01715	3.1
125.02455	16.5
126.02800	0.8
127.00363	1.4
135.04210	0.5
136.98801	3.0
137.02466	1.9
139.00377	7.0
140.01169	6.2
141.01947	1.4
149.04466	0.6
151.00385	8.2
153.01955	1.0
161.02403	0.7
161.04482	0.9
163.03917	0.6
166.99788	1.0
167.03453	0.8
168.00652	10.5
169.01418	17.8
170.01807	1.0
211.02466	3.8
239.15924	0.5
271.04681	4.4
277.16650	3.8
280.32162	0.5
313.05566	1.2
321.13477	9.8
423.22385	4.8
483.18680	100.0
484.19019	10.9
484.25647	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
56.36900	0.3
57.03451	0.4
59.01385	2.6
61.98813	0.9
65.00314	0.5
67.01865	0.9
68.99810	0.3
69.03433	0.4
69.19296	0.2
70.38658	0.9
71.01388	3.7
72.99314	0.6
73.02950	1.2
79.01880	0.8
81.03463	0.3
83.01366	1.4
85.02946	3.0
86.50443	0.3
87.00885	0.5
93.01035	0.2
93.03439	0.3
94.49357	0.3
95.01383	1.8
96.95999	0.5
97.02944	0.7
99.00862	0.4
101.01846	0.4
101.02451	2.5
101.38821	0.3
107.01392	3.2
109.02936	0.5
111.00887	2.4
113.02441	1.3
113.15603	0.3
119.05005	0.3
123.00889	13.6
124.01648	1.1
125.02448	15.3
126.02841	0.4
127.00340	0.9
132.97368	0.3
136.98795	1.0
137.02396	0.5
139.00381	5.4
140.01199	2.8
141.01959	1.5
151.00369	11.1
151.04057	0.4
153.01912	0.7
154.01425	0.3
154.99774	0.5
167.03477	0.5
168.00630	2.6
169.01421	18.6
170.01729	0.7
173.04567	0.6
181.05026	0.3
211.02466	0.7
253.03571	0.3
255.50279	0.3
313.05725	1.6
341.00488	0.3
483.18698	100.0
484.19095	11.5
484.24426	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39769	0.5
56.75835	0.4
57.03447	0.8
59.01382	100.0
60.01716	0.7
61.98843	1.3
71.01391	3.0
85.02968	1.0
89.02475	0.6
101.02500	0.7
121.01608	0.5
121.02998	0.9
125.02478	2.4
169.01468	2.4
182.84186	0.5
381.11826	1.0
483.08127	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1161
Annotation	SCHEMBL2576454
Peak:m/z	Relative Intensity
59.01374	6.2
61.58723	0.8
68.99818	1.7
71.01367	4.3
71.03593	0.8
71.30571	1.4
72.99297	5.2
75.00867	14.5
75.02594	0.8
82.00686	0.8
83.01390	3.2
84.99307	1.2
85.01041	2.3
85.66351	1.0
87.00888	1.4
89.02458	2.6
99.00875	3.3
101.02445	2.8
103.00380	9.8
107.01386	1.3
111.00877	2.2
112.98808	18.7
113.02474	0.8
115.00400	1.3
115.02062	1.1
117.01939	1.7
124.98788	1.7
125.02440	17.5
127.02089	1.2
129.01950	1.1
139.04015	2.2
142.99908	2.0
143.01546	1.6
145.01414	12.9
151.00394	1.0
157.01462	1.4
168.00624	1.6
169.01401	15.8
169.05072	2.0
171.01079	4.6
173.00859	0.9
177.01974	0.9
184.32507	0.8
200.97122	0.8
211.02525	3.0
263.05783	18.9
271.04675	1.9
287.07742	1.6
313.05685	2.0
331.06696	3.9
331.10358	1.3
335.04297	4.6
335.07953	1.2
352.04648	1.2
391.06940	6.8
404.46078	0.9
423.05490	1.8
439.08878	2.4
451.09091	4.5
483.11771	100.0
484.12256	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	483.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.9
58.56899	1.1
59.01385	5.3
61.98840	1.0
67.98286	1.2
69.03447	1.8
71.01390	5.7
72.00912	1.4
72.99300	2.4
75.00864	4.6
79.95731	1.0
83.01395	5.6
84.99281	1.3
85.02986	1.3
89.02449	1.9
93.03459	2.4
93.55043	1.0
95.01407	3.1
97.02958	2.4
98.31678	1.2
99.00871	2.9
101.02473	2.9
103.00366	3.4
107.01381	6.2
109.02940	5.4
111.00897	2.6
111.04485	1.8
111.43740	1.1
112.98803	15.0
113.02454	3.1
115.02109	2.1
117.01936	1.4
120.52905	1.2
121.02971	3.3
123.00891	6.2
123.04510	1.4
124.01659	3.3
125.02443	100.0
126.02770	3.1
128.60187	1.1
129.01944	1.3
135.18481	1.0
136.63008	1.0
137.02435	17.8
139.00342	3.3
139.04005	10.0
140.01166	1.9
145.01436	20.2
145.02574	0.9
147.04532	4.6
149.02434	4.5
151.00348	4.4
151.03969	1.6
157.01437	1.3
161.02460	2.1
164.01149	2.5
164.07143	10.5
165.01941	9.0
167.03502	8.0
168.00636	7.3
169.01421	75.9
169.05058	4.5
170.01669	1.8
171.01031	1.2
175.04056	1.1
176.01265	1.6
177.01918	25.8
177.05528	2.4
179.03516	7.3
179.04868	1.2
179.05580	1.1
191.03551	1.9
193.01428	3.2
194.78975	1.1
203.03554	2.9
211.02472	11.7
213.02026	1.0
217.05072	1.2
219.06557	5.1
221.04538	2.9
231.03197	1.9
241.03519	1.5
243.06436	1.2
253.03558	1.1
261.03860	1.2
261.07681	2.5
263.05841	4.4
271.04559	9.2
287.07782	3.2
303.04874	1.7
305.06638	57.8
306.07098	3.1
313.05588	14.0
315.04794	1.2
331.06732	18.2
331.10263	2.2
335.07703	1.3
359.04465	1.8
391.07037	2.6
413.06439	1.2
419.07111	1.2
419.19635	1.3
423.05768	3.8
439.08582	9.0
440.09549	1.5
451.09033	4.3
483.07291	26.6
483.11694	46.7
484.07025	2.0
484.11856	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	483.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28051	0.7
55.01858	1.5
57.03445	1.0
59.01373	4.9
61.98822	1.2
68.99818	1.7
69.03464	1.1
71.01376	4.5
72.34600	0.7
72.99297	4.5
75.00871	14.8
75.02586	1.1
75.63419	0.7
83.01389	3.9
84.99288	1.0
85.01018	1.8
85.02960	0.8
87.00877	1.9
89.02467	1.5
95.01431	0.8
96.99302	1.0
99.00879	3.9
100.98782	1.0
101.02441	1.9
103.00370	8.9
107.01393	2.7
109.02917	1.1
111.00874	1.7
112.98050	1.4
112.98807	14.0
113.02394	1.2
114.98425	1.5
115.00367	1.1
115.02057	1.2
117.01927	1.6
123.00874	2.6
124.01629	1.4
124.98797	2.1
125.02441	32.2
126.02769	1.0
127.00384	1.2
127.02053	1.2
129.01932	1.6
129.03612	1.1
137.02431	1.6
139.00441	1.0
139.04036	3.9
140.98433	0.7
142.99849	1.0
143.01579	1.6
145.01424	8.9
148.42035	0.7
151.00369	1.5
154.99965	1.6
157.01361	1.7
167.03513	1.5
168.00626	3.7
169.01419	35.4
169.05016	3.6
170.01775	2.1
171.01064	4.4
177.01891	2.4
191.05663	1.6
194.99326	2.1
206.93831	0.8
211.02443	5.5
219.06564	0.8
231.03125	1.8
263.05811	24.0
264.06149	0.9
269.00610	0.7
271.04596	5.2
287.07681	2.7
305.06537	3.8
311.21222	0.8
313.05652	5.7
324.73370	0.8
331.06754	8.9
331.10287	1.9
335.04181	5.1
337.83380	0.8
347.07858	1.0
391.06909	6.5
421.07886	0.8
423.05701	2.6
439.08661	5.3
451.09052	3.4
465.07098	0.7
483.12082	100.0
484.12415	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	483.1142
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
59.01381	1.2
59.86378	0.7
60.55481	0.8
61.94041	0.7
68.40862	0.7
69.03428	1.5
69.44453	0.7
71.01347	2.1
81.03441	0.8
85.02940	0.7
91.43018	0.7
91.96120	0.8
95.01381	1.5
97.02921	2.2
107.01382	8.1
111.00880	1.8
123.00898	5.0
124.01710	4.0
125.02443	100.0
126.02777	2.0
127.69828	0.8
137.02451	1.4
138.03239	1.8
139.00407	3.1
139.04013	60.3
140.01199	2.1
140.04353	1.8
151.00380	3.5
151.04070	0.8
154.38368	0.8
168.00609	6.7
168.04378	0.9
169.01425	92.2
169.05058	88.6
170.01744	4.0
170.05418	4.1
182.36986	0.8
193.01524	1.5
211.02438	7.9
241.03714	1.2
271.04565	9.7
287.07687	11.4
288.08167	0.9
313.05664	22.2
314.06183	1.7
331.06976	19.3
331.10745	30.1
332.07358	1.3
332.10953	1.5
439.08771	27.1
440.09921	2.8
465.07587	1.3
483.12222	49.1
484.12668	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	483.0778
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01368	1.6
69.03442	2.6
69.18478	0.7
70.59741	0.7
71.01380	3.3
72.99229	0.7
75.00854	1.3
79.01878	1.7
81.03426	1.1
83.01368	1.6
85.02917	3.0
95.01385	3.6
97.02977	3.4
99.00907	1.0
101.02426	1.3
107.00854	0.6
107.01400	6.2
107.81680	0.7
111.00857	2.1
111.04472	0.7
113.02419	2.6
123.00876	12.6
124.00758	0.9
124.01663	21.6
125.02449	91.0
126.02750	2.7
137.02397	1.7
139.00377	4.8
139.03964	2.0
140.01161	3.6
149.99583	30.9
151.00383	8.0
154.02695	2.2
155.03416	1.3
167.03429	2.2
168.00641	66.5
169.01424	35.2
169.04970	2.8
170.01701	1.5
183.02946	1.6
193.01367	1.2
193.98505	1.4
194.99300	3.2
211.02449	2.8
225.04037	0.8
241.03609	0.9
271.04544	1.3
287.07623	1.2
297.06039	1.4
313.02240	1.2
313.05661	15.0
331.06699	70.4
332.07037	4.2
439.08768	12.3
440.08615	1.8
465.06595	1.4
483.07550	100.0
483.20667	4.8
484.07892	13.7
494.41821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03489	2.2
59.01424	3.2
65.00381	3.1
66.69142	0.7
67.01944	0.9
67.75140	0.6
69.03495	1.1
69.53156	2.7
69.53568	2.0
71.01387	6.2
72.99355	0.9
73.03015	1.0
75.00889	1.6
78.31931	0.7
79.01929	1.0
81.03499	1.4
83.01385	3.5
85.02997	2.5
89.02505	1.4
95.01405	1.6
96.83685	0.8
96.96043	0.8
97.02991	1.6
99.00959	1.0
101.02500	2.1
107.01389	12.5
107.02007	1.1
110.00105	0.7
111.00940	2.3
113.02507	2.2
123.00874	7.3
124.01643	3.4
125.02448	87.1
126.02811	1.7
127.00347	0.9
136.98801	0.7
137.02480	1.5
139.00354	6.3
139.04034	1.5
140.01189	4.0
149.02484	0.7
149.99619	0.9
151.00377	26.1
152.00848	0.9
153.02010	2.1
154.02704	1.7
154.05240	0.7
155.03416	0.8
159.60387	0.7
161.04593	0.9
165.01959	1.1
167.03511	2.3
168.00670	11.0
169.01427	100.0
169.05095	2.4
170.01802	2.6
175.00380	1.0
177.01834	0.7
179.05649	2.9
182.04684	0.7
183.02980	3.7
193.01375	2.4
205.01282	0.6
211.02466	14.4
216.66066	0.7
241.03500	1.9
253.03271	0.8
271.04593	11.5
272.04672	0.7
287.07468	0.9
297.06091	1.0
313.05655	28.2
314.05887	2.5
319.83197	0.7
331.06744	7.7
417.61633	0.7
439.08829	16.5
440.08847	1.5
465.06427	1.6
483.07184	72.0
483.19370	2.5
484.07425	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	483.078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	2.0
62.01525	0.9
67.01907	0.9
69.03455	1.8
69.44801	6.5
71.01384	2.9
75.63486	0.8
75.78165	0.8
81.03437	1.3
83.21515	0.8
86.75693	1.0
92.03172	1.0
95.01357	1.5
97.02937	1.4
101.02425	1.0
107.01409	6.7
111.00912	1.3
123.00886	4.5
124.01678	3.1
125.02451	100.0
126.02786	2.4
139.00327	2.7
139.04013	17.6
140.01143	1.9
140.04300	0.9
151.00381	3.6
168.00661	8.2
169.01439	92.5
169.05077	19.0
170.01784	3.0
173.68872	0.8
193.01472	1.0
211.02496	17.8
223.75565	0.9
241.03549	0.9
250.93779	0.9
271.04602	20.2
272.04892	1.5
287.07730	9.1
313.05667	16.3
331.06665	22.5
331.10361	5.6
332.06970	2.0
439.02936	1.8
439.08807	29.1
440.08994	3.6
465.06723	1.5
483.06906	34.4
484.08240	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	483.078
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.58560	0.7
56.54873	0.7
57.31347	0.6
59.01413	0.9
69.03491	1.5
69.25898	5.5
71.01453	2.1
79.01952	0.7
85.02993	0.8
97.02996	0.9
101.02483	0.9
107.01401	7.7
107.02071	0.9
111.00941	1.1
113.02484	1.4
123.00871	4.7
124.00944	0.6
124.01723	2.5
125.02451	74.1
126.02837	2.6
127.00391	0.8
136.98830	0.8
139.00426	2.1
139.04028	13.0
140.01198	1.2
151.00372	4.2
168.00636	5.3
169.01430	100.0
169.05060	20.0
170.01688	2.9
170.05424	0.9
181.01219	0.7
193.01372	2.1
211.02481	13.0
225.03827	0.7
241.03427	1.1
268.44275	0.6
271.01840	0.8
271.04575	10.8
287.07703	3.8
295.20285	0.6
313.05634	23.0
314.05762	1.6
331.06372	7.6
331.10077	5.0
423.04993	2.1
439.08813	7.7
483.07040	35.2
484.07138	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	483.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98293	0.6
53.88538	0.7
55.29300	0.6
59.01397	3.0
61.98828	0.8
67.01897	0.7
69.03458	1.2
69.90921	2.6
71.01403	2.5
73.02958	0.9
81.03472	1.1
85.02962	2.0
88.70415	0.8
89.97478	0.7
93.03417	0.7
95.01422	1.2
97.02964	1.6
101.02457	1.7
107.01386	8.3
111.00887	2.1
113.02470	3.1
123.00881	6.3
124.01706	2.0
125.02448	82.3
126.02799	2.2
136.98846	1.9
137.02434	1.1
139.00375	3.9
139.04045	1.8
140.01173	3.3
146.96565	0.6
151.00346	3.6
153.01877	0.9
165.01984	1.6
167.03590	1.0
168.00626	12.7
169.01425	100.0
170.01764	3.8
181.01410	1.5
183.03049	1.8
193.01418	8.3
207.03151	0.7
211.02472	41.4
212.02811	1.9
241.03513	3.7
253.03645	1.1
254.81378	0.7
271.04572	26.1
272.04764	1.8
295.04553	1.9
299.75580	0.7
313.05640	11.3
314.05908	1.0
331.06830	4.3
423.05643	9.3
439.08582	1.2
483.07626	79.2
484.08057	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0779
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01382	2.8
62.60829	1.0
63.94685	0.9
67.01871	1.1
69.03491	1.3
71.01382	4.2
71.15402	1.8
72.99367	1.3
73.94709	0.8
75.00854	1.9
81.03465	1.9
83.01396	2.0
85.02930	1.3
95.01401	1.6
97.02940	1.2
99.00908	1.4
100.58797	1.0
101.02431	1.6
107.01398	8.6
111.00888	2.9
112.98824	3.7
113.02438	1.8
123.00905	4.8
124.01681	3.6
125.02448	89.5
126.02790	2.2
127.00357	1.1
137.02400	2.0
139.00395	3.6
139.04019	14.7
140.01141	2.8
145.01414	5.1
149.99554	1.4
151.00414	5.0
167.03523	1.3
168.00626	12.7
169.01427	100.0
169.05057	20.6
170.01749	3.7
171.00949	1.1
185.09354	2.5
193.01456	5.6
211.02489	25.9
211.04379	2.0
219.19987	1.2
223.02477	1.2
231.03006	1.5
241.03546	3.1
253.03473	1.2
271.04572	17.7
287.07758	5.1
313.05652	17.2
331.06671	15.6
331.10330	5.8
391.06686	1.4
423.05731	10.5
424.06253	1.2
439.08682	10.5
454.15021	1.1
483.06882	59.1
484.07397	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.9611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	4.0
61.98816	7.8
66.36568	3.9
70.41392	15.3
72.99305	4.2
78.91888	62.1
78.95907	20.7
80.91682	81.1
89.07639	3.6
124.65336	4.2
125.02425	6.9
136.06390	3.3
139.18741	3.3
144.94055	32.1
146.93854	42.7
152.99580	30.5
153.94954	3.7
169.01454	8.2
182.89828	3.8
201.96187	64.1
203.96005	100.0
223.02719	12.8
225.02470	4.4
313.23038	6.4
318.98141	4.6
352.96237	4.0
356.40878	3.9
369.09338	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	483.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01134	0.5
59.01382	1.3
59.80828	0.5
61.98833	0.5
62.14651	0.5
67.01907	0.5
69.03469	1.1
70.07388	0.9
70.07804	1.8
71.01017	0.6
71.01390	2.1
75.00869	0.8
77.11285	0.5
79.01901	0.6
81.03473	0.7
83.01394	0.6
85.02957	0.6
89.02448	0.6
95.01396	0.7
97.02970	1.6
101.02453	1.1
103.17825	0.6
107.01393	3.9
109.02934	0.6
111.00819	0.5
112.05505	0.5
113.02436	1.2
123.00862	3.5
124.01691	1.7
125.02446	73.9
126.02795	1.7
136.98824	0.5
137.02498	0.9
139.00381	2.1
139.04004	0.8
140.01172	0.7
149.99579	2.0
151.00351	2.7
151.04030	0.6
168.00641	5.2
169.01424	100.0
170.01750	3.6
211.02475	2.2
241.03622	0.9
271.04584	1.1
313.05630	32.5
314.05896	2.1
331.06757	6.7
332.07132	0.7
333.59341	0.5
439.08701	1.4
483.07547	32.3
484.08170	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	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19957	1.2
56.35895	1.1
69.24238	12.1
78.95904	50.2
86.51326	1.4
92.07253	1.2
94.67604	1.1
96.96959	5.1
145.47481	1.2
152.99582	64.5
171.00633	19.4
221.55304	1.4
227.03255	3.8
245.04300	100.0
246.04475	1.4
253.21706	59.0
254.22028	4.4
317.81448	1.4
481.25659	42.1
482.25986	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	481.1349
Annotation	CHEBI:67506
Peak:m/z	Relative Intensity
57.03441	2.5
59.01378	12.2
61.98833	5.0
65.00320	2.7
67.01894	1.6
71.01377	7.5
71.45912	0.7
71.56049	1.3
72.99302	1.9
75.00864	1.3
79.01917	1.3
79.95731	1.4
81.03471	0.8
83.01382	4.1
85.02962	3.4
87.00861	1.0
89.02453	3.3
93.03465	1.1
93.76370	0.7
95.01385	3.4
96.96010	7.5
97.02960	1.4
99.00874	1.4
101.02457	3.7
107.01399	11.2
108.02219	0.9
109.02969	2.4
111.00877	3.8
113.02441	2.7
119.03511	1.0
119.05017	0.9
123.00883	17.9
123.04530	2.7
124.01704	3.8
125.02450	36.2
126.02814	1.1
127.00266	0.9
134.03757	2.0
135.04515	3.6
136.98842	2.4
137.02444	2.2
138.48181	0.7
139.00389	6.6
139.04030	2.8
140.01180	4.3
141.01881	1.6
143.04950	0.8
149.06042	1.2
151.00365	29.6
152.00844	1.2
153.01897	2.4
153.05533	1.0
165.01929	1.5
166.99841	1.5
167.03517	2.7
167.07138	1.2
168.00647	8.4
169.01425	33.6
169.05043	1.1
170.01772	1.5
175.00362	2.3
178.99747	1.2
180.63077	0.7
183.02986	4.8
193.01375	2.9
195.02905	0.8
195.06847	0.7
198.35123	0.7
209.04584	0.9
211.02489	11.3
214.02707	0.8
225.04001	2.2
244.02753	0.9
271.02750	1.4
271.04752	10.7
272.02618	1.6
273.03082	3.8
285.06302	1.1
287.01965	1.1
288.02420	1.4
289.02454	2.5
304.14404	0.8
313.05734	1.7
315.11053	1.8
316.02292	4.6
317.02570	4.8
318.02792	10.6
319.03427	2.1
327.07202	1.0
401.22061	1.1
481.14032	100.0
481.26822	4.9
482.14340	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	481.1141
Annotation	CHEBI:70258
Peak:m/z	Relative Intensity
53.44432	1.3
53.90701	1.2
57.03445	2.4
59.01362	5.4
61.98833	1.9
68.64657	1.3
69.51173	10.8
71.01366	2.8
75.00854	3.2
81.03477	3.5
83.01329	2.1
85.02953	1.5
89.04037	1.5
93.03480	2.6
95.01386	2.9
96.96007	11.1
97.02936	1.4
99.00922	1.8
101.82065	1.4
104.63786	1.2
108.02173	9.5
109.02956	33.8
111.04514	11.0
113.02434	2.8
117.03457	1.6
121.02942	2.1
123.00884	5.9
123.04522	3.1
124.01644	4.6
125.02441	41.2
133.02948	5.7
134.03786	1.9
137.02412	5.8
139.04001	22.2
145.02974	2.6
147.04546	2.3
147.27496	1.5
149.02419	1.8
156.03029	1.3
157.69392	1.4
160.01720	3.2
161.02434	5.8
165.01953	1.8
166.02713	1.9
167.03488	19.4
169.01433	5.0
173.02374	2.0
175.04024	3.6
176.01198	1.5
177.01915	53.1
179.03482	4.0
187.03911	2.9
189.01920	53.8
190.02560	6.6
191.03438	4.1
193.12221	1.4
195.13834	5.0
203.03522	4.5
216.00633	13.1
217.01399	80.3
218.01807	4.9
219.02974	6.3
219.06575	2.7
221.04558	1.5
231.02914	9.7
233.04532	2.7
239.12831	3.4
243.03041	1.8
244.03635	1.9
259.05972	3.6
270.05417	1.4
280.03802	1.8
283.02386	1.7
284.03094	2.0
287.05594	8.8
295.06067	1.9
297.04016	4.4
298.04816	2.7
299.05557	3.6
301.07159	10.9
305.06549	9.1
313.07169	10.1
319.08600	12.1
326.04202	3.6
339.04947	2.9
340.05850	1.4
341.06650	64.2
342.06952	7.5
355.08160	4.1
357.06140	100.0
358.06570	7.6
371.07690	16.0
372.07996	1.9
481.11319	52.0
481.17599	5.5
481.27087	1.5
482.11636	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	481.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.8
59.01376	9.3
61.98816	6.8
66.06184	1.4
68.02520	2.3
69.24662	5.1
69.25089	10.5
71.01366	3.3
81.03446	2.9
83.01364	3.0
85.02939	3.3
89.02397	2.3
95.01398	2.5
96.95997	3.1
97.02989	2.4
98.20659	3.1
101.02436	1.5
105.03406	2.0
108.02192	14.7
109.02961	31.9
111.04539	7.3
113.02430	3.0
119.04984	1.7
120.38529	1.5
121.02930	3.5
123.00883	5.7
123.04527	7.0
124.01655	6.2
125.02448	71.2
126.02746	2.9
133.02933	4.4
134.03664	2.8
135.04521	3.3
137.02464	10.2
138.03197	1.8
139.03029	2.3
139.04015	26.6
140.04333	1.9
145.02936	4.2
147.04506	2.7
149.02458	2.3
151.00354	1.6
160.01663	5.1
161.02449	16.7
161.04517	2.0
162.03023	1.5
163.03893	1.8
164.01091	2.8
165.02016	7.2
167.03500	14.4
168.02980	3.4
169.01393	5.6
175.03987	4.8
176.01115	2.8
177.01932	31.0
177.05440	2.4
178.02553	1.7
179.03496	6.0
179.42732	1.5
189.01926	66.0
190.02538	6.5
191.03450	4.9
193.05017	3.2
203.03496	6.7
206.47690	1.4
216.00601	12.7
217.01410	100.0
218.01759	6.8
219.02950	7.0
219.06447	2.6
231.02936	11.4
233.04556	6.4
271.06158	2.2
274.15402	1.4
283.02390	2.2
284.03180	3.1
287.05518	4.9
297.03955	5.6
298.04700	3.3
299.05560	2.3
301.07080	6.2
305.06644	18.9
308.03064	2.3
313.07358	9.3
315.08533	1.8
317.03033	1.9
325.03458	2.6
326.04288	3.4
341.06635	72.9
342.07028	7.8
342.25897	1.9
344.52200	1.9
355.08109	5.1
357.06146	66.5
358.06589	7.8
371.07718	13.8
463.10257	1.7
479.22934	2.5
481.11316	66.5
481.17053	5.6
482.11548	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	481.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01403	0.8
65.00320	1.3
70.83958	1.9
71.01389	2.8
81.03459	5.7
83.01382	3.5
95.05015	1.2
107.01397	4.7
123.00918	3.1
123.04535	45.5
124.01708	1.8
124.04781	1.0
125.02452	48.6
126.02749	1.7
137.02431	1.5
139.00362	2.3
151.00404	5.1
160.05428	1.0
167.03499	97.1
168.00645	3.6
168.03835	3.8
169.01422	45.9
170.01767	2.2
191.03477	7.4
195.93149	1.0
199.06070	1.0
209.04539	2.2
211.02484	13.3
241.03563	1.5
271.04578	13.6
290.26706	1.2
313.05609	21.1
314.06107	1.6
331.06601	1.2
439.08847	1.8
478.24435	1.1
481.09882	100.0
482.10040	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	481.0988
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
50.20759	1.0
57.03434	2.6
59.01366	3.4
61.98793	1.9
64.23657	1.0
69.03459	1.1
69.21947	10.5
71.01382	4.6
73.02943	1.4
75.00900	1.2
81.03458	6.2
82.03751	1.4
83.01375	5.7
85.02944	1.7
95.01351	1.6
95.05054	1.4
96.96003	1.4
97.02940	1.2
99.04515	1.1
101.02433	2.5
107.01379	7.3
111.00851	1.3
123.00882	6.0
123.03614	1.8
123.04526	37.1
124.01666	1.2
124.04810	1.7
125.02444	68.2
126.02769	3.0
139.00371	2.9
140.01241	1.3
149.02409	2.3
151.00383	8.0
167.03490	79.3
168.00571	1.7
168.03835	3.0
169.01422	69.0
170.01755	2.3
179.03421	1.5
191.03528	2.4
209.04378	1.0
211.02527	5.5
241.03546	3.5
271.04642	4.7
278.39618	1.3
313.05649	51.9
314.06143	4.3
439.08817	20.5
440.09244	3.0
449.98608	1.2
464.86200	1.0
481.09827	100.0
481.25372	2.1
482.10004	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	481.0987
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
52.65716	1.2
57.03439	3.5
58.68087	1.1
59.01377	6.3
61.98811	5.8
63.02397	1.7
65.00329	6.4
68.09288	1.2
69.30417	1.2
71.01366	5.0
71.53960	1.4
72.99328	1.2
74.23208	1.2
83.01410	6.1
85.02946	2.1
89.02458	2.6
93.03461	1.4
95.01385	3.1
101.02441	1.9
107.01382	9.8
109.02962	9.6
109.64245	1.5
113.02428	3.2
116.05067	3.7
121.02943	2.1
123.00874	5.1
123.04521	1.6
125.02447	53.7
131.01353	2.1
137.02457	10.4
139.04010	4.2
140.01180	1.5
142.06560	1.5
147.00900	8.9
149.02409	4.3
151.00365	58.4
151.03882	1.4
152.00946	2.5
153.01932	27.3
153.09137	2.1
155.03432	2.1
163.00433	2.3
165.01909	6.8
166.99818	2.1
167.03476	5.6
168.00597	1.6
169.01393	15.4
170.01541	1.6
175.00369	41.7
176.00798	2.8
177.01874	3.8
178.99870	20.1
180.00311	1.4
181.01430	11.9
183.13487	1.4
190.02765	1.5
191.03481	10.0
191.05055	1.7
193.01416	100.0
194.01781	3.9
195.03152	3.0
203.08272	9.0
207.67232	1.4
211.02466	2.6
213.05501	1.6
215.03465	7.0
229.01294	2.4
233.04482	2.9
255.12379	4.4
257.04611	7.5
271.04318	3.1
276.29297	1.5
283.02518	6.5
284.05826	2.5
291.05035	3.2
301.03537	21.8
313.05655	7.3
319.04584	34.3
320.04999	3.0
341.05133	17.6
342.05154	1.6
343.06754	5.5
419.11917	24.9
437.10779	2.7
463.08817	17.9
464.12070	12.9
481.09058	3.5
481.14813	2.5
482.12997	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0985
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
55.30286	0.9
57.03467	1.6
58.30593	0.9
59.01117	1.3
59.01365	6.4
65.00307	1.0
69.03482	1.2
71.01377	8.9
71.18250	2.0
72.63232	1.0
72.99330	1.1
73.02923	1.4
73.96218	1.0
75.00873	3.2
79.01883	1.5
79.95749	4.2
83.01417	1.3
85.02950	4.8
87.00889	1.4
89.02439	2.1
93.03539	1.1
95.01420	3.4
96.96044	4.4
97.02943	1.3
99.00852	1.2
101.02470	3.4
102.10194	0.9
107.01389	16.9
108.02178	16.4
109.02979	2.0
111.00887	2.0
113.02454	5.1
121.02946	1.8
123.00876	12.8
123.04536	11.6
123.58228	1.0
124.01694	2.5
125.02448	78.9
126.02827	1.7
136.98888	1.3
137.02460	1.9
139.00381	4.5
139.03989	2.3
140.01205	1.8
141.01984	1.9
141.55730	1.0
149.02496	1.4
151.00359	10.6
151.09912	1.0
152.01155	35.2
153.01921	4.0
165.01950	2.6
166.02760	1.6
167.03497	46.9
168.00694	3.7
168.03909	1.8
169.01427	93.4
170.01813	3.4
175.03819	1.1
177.04094	1.1
183.03040	1.7
193.01466	1.7
211.02599	2.4
223.02516	1.3
241.03676	2.9
313.05634	65.6
314.06113	3.9
327.07367	3.0
329.05310	2.3
329.08926	7.9
330.08871	1.4
418.14316	2.3
437.10831	7.3
438.11081	1.7
463.09204	1.6
481.10040	100.0
481.17996	16.1
482.10342	11.2
482.17648	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.7
59.01368	4.6
67.01906	1.9
69.71302	6.7
71.01382	11.0
73.02946	3.3
74.28073	1.4
79.47554	1.2
80.11617	1.4
83.01379	3.1
85.02949	7.2
87.00882	1.7
89.02442	1.5
95.01375	5.1
97.02934	1.8
98.20591	1.8
101.02420	5.6
107.01392	15.9
108.02148	2.5
109.02938	2.3
109.87754	1.5
111.00854	5.8
113.02438	4.7
121.02937	2.3
122.03731	14.4
123.00876	28.2
123.04532	19.0
124.01669	3.7
125.02451	76.7
126.02804	2.5
127.00380	2.6
127.34418	1.3
136.98828	3.1
137.02443	3.6
139.00366	13.2
140.01160	9.6
141.01936	3.8
149.02422	6.7
151.00369	24.3
151.03952	1.7
167.03474	3.4
168.00594	6.2
169.01421	100.0
170.01787	3.9
202.33356	1.3
231.63223	1.3
241.03510	2.5
271.04541	2.4
297.06027	2.3
313.05621	23.5
329.08798	2.8
437.10876	93.2
438.11212	9.3
463.08795	53.6
464.09171	5.4
481.09818	74.4
481.18951	5.7
482.10211	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	480.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06963	0.1
58.00611	0.1
69.83733	0.1
71.52576	0.1
78.95901	20.8
96.96949	0.3
122.98542	0.1
134.32585	0.1
134.98502	0.2
150.98070	0.1
152.99586	3.4
168.02905	0.2
168.04314	2.7
171.00621	0.3
194.05920	0.1
220.52383	0.1
224.06926	8.7
225.07301	0.2
237.22231	0.1
242.07999	1.9
243.08647	0.1
245.04306	2.1
253.21739	1.7
255.23283	100.0
256.23621	7.6
281.24747	0.1
283.25562	0.2
327.75900	0.1
381.78629	0.1
391.22784	0.1
480.30920	20.2
481.25421	0.6
481.31335	2.6
488.33752	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	481.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11824	11.6
59.01387	100.0
61.98834	46.8
65.04285	13.5
71.01389	22.7
72.89527	12.7
77.56044	12.5
78.95902	30.6
85.02968	36.4
91.16386	11.6
99.00869	14.8
101.02422	16.7
123.00852	14.6
125.02445	49.4
135.04517	13.9
136.05315	48.0
137.02420	14.7
149.06084	31.3
151.07655	14.5
152.43558	13.0
152.99602	31.2
165.09212	39.6
167.03441	21.2
169.01433	49.1
245.53027	11.7
254.46013	13.8
260.58243	14.5
264.97192	12.9
278.77362	12.6
309.75845	15.4
318.02899	15.9
334.22418	15.5
424.45523	16.1
480.34015	18.5
481.09836	21.5
481.22415	33.3
481.35767	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0984
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
50.93458	1.0
59.01369	4.3
60.50760	1.2
67.01877	1.4
69.03459	1.5
69.43253	2.9
69.43661	6.4
71.01388	12.1
73.02924	2.4
75.00862	1.7
79.01897	2.4
81.03448	1.6
83.01385	2.6
85.02955	8.6
87.00858	4.2
89.02422	1.9
95.01383	4.0
97.02937	1.7
97.57977	1.5
99.00928	2.1
99.04478	1.4
101.02457	5.9
107.01379	15.3
108.02168	3.6
109.02948	2.8
111.00866	5.6
113.02449	5.0
115.18407	1.3
121.02977	2.7
122.03744	17.6
123.00881	28.4
123.04518	18.9
124.01662	3.6
125.02441	70.4
126.02777	1.5
136.98747	2.9
137.02411	3.3
139.00397	9.1
140.01164	10.4
141.01958	1.4
149.02431	6.4
151.00360	23.3
153.01904	1.6
161.04610	1.5
165.05531	2.1
167.03484	3.3
168.00667	9.8
169.01421	99.4
170.01711	1.5
211.02475	2.8
223.02466	2.3
229.22418	1.4
253.03500	2.5
271.04639	1.3
297.06226	3.0
313.05618	21.7
314.05707	2.9
329.08801	2.3
431.51743	1.3
437.10873	100.0
438.11316	8.7
463.08804	52.7
464.09250	5.7
481.09811	83.9
481.18762	4.8
482.10065	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	480.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.2
61.98830	100.0
63.01379	0.9
71.01392	1.1
71.56014	0.8
78.95869	1.8
125.02399	2.4
136.05292	1.4
140.06482	0.9
152.99567	1.3
169.01433	3.0
207.25198	0.9
316.02072	1.9
317.02621	4.6
400.43073	1.0
480.08536	3.2
481.22232	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39396	1.2
57.03442	2.2
59.01376	8.8
61.47413	1.2
61.98824	12.2
67.01891	1.6
69.03446	2.6
71.01379	7.8
73.02923	1.3
75.00836	1.3
83.01353	3.3
85.02937	3.9
87.00893	1.9
89.02438	3.0
92.04266	1.2
95.01375	1.8
96.96004	2.4
97.02927	1.5
99.00914	1.4
101.02453	3.4
107.01380	8.0
109.02949	1.4
110.00093	2.1
111.00885	2.4
113.02439	3.3
119.05001	1.3
121.02921	3.2
123.00888	12.4
123.04525	30.5
124.01653	1.8
125.02444	55.2
127.00389	1.2
136.98853	1.9
137.02429	3.1
138.00247	1.4
139.00400	8.5
140.01225	5.5
141.01895	3.0
149.02492	1.3
150.90526	1.1
151.00375	14.8
152.01065	2.0
153.01958	1.7
165.01880	5.1
165.99696	2.0
166.02249	1.4
167.03488	3.1
168.00658	5.7
169.01422	67.6
170.01770	1.4
175.02405	1.4
178.99852	1.7
179.05652	1.3
193.01439	6.4
211.02367	2.4
271.04465	1.5
283.02469	2.9
287.10461	1.2
313.05591	11.6
329.05307	2.5
332.01492	2.9
333.01990	7.1
334.02670	2.6
417.14005	100.0
418.14273	10.4
437.10889	18.4
463.08774	4.9
480.07379	6.1
480.17987	3.7
481.10419	18.1
481.17654	1.9
481.18921	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
59.01377	100.0
60.50912	1.4
61.98830	16.5
71.01378	19.8
71.52328	2.2
73.02943	8.0
75.85497	1.1
78.95901	2.8
83.01382	3.4
85.02946	6.1
89.02454	8.0
96.23777	1.2
96.95995	2.2
101.02428	12.5
109.02926	2.4
113.02423	7.2
119.03481	4.5
125.02446	3.6
136.05261	2.2
137.02393	1.6
151.00368	3.9
152.99556	2.9
161.04517	2.1
169.01416	4.2
175.02510	1.2
178.99861	2.5
179.05643	1.6
214.02647	1.9
243.02933	1.6
270.01563	1.6
271.02490	10.5
287.01978	5.7
288.39789	1.5
311.21939	1.7
316.02188	27.9
317.02893	10.4
404.43082	1.4
437.25461	2.1
479.08258	21.7
479.22101	2.3
479.33936	2.7
480.08417	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	479.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45910	2.7
57.03423	2.7
57.10589	2.4
59.01373	3.9
61.98821	5.4
69.35944	9.9
69.36369	10.4
71.01395	2.9
78.95899	38.8
96.96014	4.2
98.19797	4.1
98.83625	2.5
99.08138	4.7
110.98523	22.4
113.09729	3.4
129.09213	4.9
140.38336	3.1
148.05251	5.0
150.06909	4.4
151.00302	8.8
163.07620	8.6
163.11317	3.0
165.09048	2.8
167.01158	23.5
169.01378	3.8
175.02438	3.7
178.99786	5.7
181.12433	6.0
183.13800	4.3
185.02180	10.5
197.11801	8.9
199.13315	5.4
211.13387	21.9
214.02629	4.0
259.02426	4.5
270.01416	2.9
271.02399	24.9
287.01965	12.3
293.21118	10.6
311.22244	100.0
312.22482	13.1
316.02267	48.2
317.02972	16.0
479.08405	39.5
479.24164	86.4
479.31219	4.5
480.08490	5.6
480.24429	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	479.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.9
59.01364	1.4
61.98811	1.1
69.03418	0.9
69.20138	2.7
69.20557	3.2
71.01397	0.7
78.91866	1.6
78.95902	19.5
82.90714	0.6
83.04965	0.8
96.96030	0.7
97.06602	0.6
99.08144	2.7
99.74480	0.6
104.97407	0.9
110.98534	15.0
111.08146	1.0
112.41323	0.5
113.09727	2.9
124.01667	0.8
125.02438	1.1
125.09698	0.6
127.07655	0.8
129.09215	5.9
137.00053	0.5
139.11324	0.9
144.94070	1.0
150.06812	2.2
151.00307	1.6
151.11313	0.6
152.99577	1.5
153.12849	0.9
165.12857	0.9
165.82625	0.6
166.99861	1.2
167.01140	11.4
167.14452	0.7
169.01334	1.5
169.12329	3.7
171.10289	1.6
178.99799	1.0
179.10715	0.9
181.12288	3.9
183.13889	2.9
185.02177	8.4
193.12317	2.8
197.11819	11.4
198.12169	0.8
199.13387	5.3
201.96172	1.5
211.13385	16.8
212.13744	0.7
214.02740	1.3
218.02080	0.7
259.02176	1.0
271.02444	5.0
275.20093	0.9
287.01868	3.2
293.21185	11.2
308.75397	0.6
311.22256	100.0
312.22614	9.7
316.02216	12.2
317.02847	4.0
469.29333	0.7
479.08481	11.4
479.24124	51.0
479.37381	2.9
480.08618	1.5
480.24420	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	479.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45910	2.7
57.03423	2.7
57.10589	2.4
59.01373	3.9
61.98821	5.4
69.35944	9.9
69.36369	10.4
71.01395	2.9
78.95899	38.8
96.96014	4.2
98.19797	4.1
98.83625	2.5
99.08138	4.7
110.98523	22.4
113.09729	3.4
129.09213	4.9
140.38336	3.1
148.05251	5.0
150.06909	4.4
151.00302	8.8
163.07620	8.6
163.11317	3.0
165.09048	2.8
167.01158	23.5
169.01378	3.8
175.02438	3.7
178.99786	5.7
181.12433	6.0
183.13800	4.3
185.02180	10.5
197.11801	8.9
199.13315	5.4
211.13387	21.9
214.02629	4.0
259.02426	4.5
270.01416	2.9
271.02399	24.9
287.01965	12.3
293.21118	10.6
311.22244	100.0
312.22482	13.1
316.02267	48.2
317.02972	16.0
479.08405	39.5
479.24164	86.4
479.31219	4.5
480.08490	5.6
480.24429	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	479.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.4
61.98812	6.8
68.87952	1.8
71.01376	6.3
71.52303	2.6
78.95908	15.4
83.01398	1.5
85.39092	2.0
87.00871	1.7
87.74545	1.7
95.61676	1.4
95.99935	1.6
96.27103	1.5
96.95997	5.5
97.03002	1.9
101.02458	3.3
103.82571	2.0
107.01366	3.4
107.05013	1.6
110.98529	7.2
111.00835	2.0
113.02450	2.4
119.05018	2.9
121.02959	44.3
122.03790	2.0
123.00865	2.9
124.01653	3.2
125.02473	13.2
135.04521	19.5
136.05296	52.3
137.02472	2.3
137.05579	1.8
139.00374	1.7
149.06067	7.0
150.06839	5.8
151.00366	7.3
151.07649	3.1
152.99553	10.3
163.00398	1.9
163.03995	2.4
164.08385	5.4
165.01903	1.9
165.09213	36.8
167.01135	4.3
167.14441	2.3
168.00638	4.6
169.01485	13.4
175.02501	2.7
178.99815	3.7
185.02209	6.5
193.70313	1.9
223.20634	2.4
230.47011	1.7
233.27263	1.8
242.02135	2.8
249.18524	6.4
259.02332	3.2
267.19635	89.3
268.19882	8.4
270.01770	2.3
271.02383	15.7
275.16614	9.4
287.02124	9.9
293.17615	34.1
306.18494	3.0
311.18628	62.5
312.18900	3.4
316.02185	36.4
317.02853	14.6
321.20792	4.2
337.57596	1.8
350.20987	6.3
360.28546	2.2
479.08542	33.0
479.20139	69.4
479.33771	100.0
480.08459	3.8
480.21133	7.8
480.34119	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	479.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04403	0.4
57.03444	1.0
59.01379	2.2
61.98826	1.8
62.83237	0.3
65.00300	0.4
67.01880	0.4
69.03448	0.5
71.01380	1.7
72.75972	0.3
74.76798	0.3
81.03455	5.8
83.01379	3.8
84.42570	0.4
85.02961	0.8
87.00870	0.4
89.02447	0.3
93.03465	0.6
95.05020	1.1
96.96024	0.4
97.02985	0.7
98.19828	0.8
101.02414	0.6
107.01436	0.5
108.02174	0.4
109.02963	2.8
109.57019	0.3
113.02444	0.7
121.02977	0.6
123.00958	0.7
123.04527	38.7
124.01555	0.6
124.04851	1.3
125.02451	7.9
130.61223	0.3
135.04512	0.7
137.02446	1.4
138.03267	0.4
139.03978	1.1
145.03009	0.3
149.02432	1.2
151.00323	2.3
151.04047	0.8
152.04575	0.3
153.01945	4.3
163.04030	1.0
166.02750	2.8
166.05064	3.3
167.03494	100.0
168.03816	3.8
169.01410	2.1
175.00340	1.5
176.89760	0.3
179.03468	0.4
181.05058	6.6
182.05450	0.4
191.03506	22.4
192.03825	1.0
193.04944	0.4
195.03015	0.4
201.87929	0.3
209.04547	10.3
209.06578	0.5
210.04971	0.4
215.79739	0.3
221.04520	2.1
233.04457	0.5
239.05817	0.4
269.06744	1.6
287.02145	0.3
293.06476	0.4
297.06149	8.5
298.06644	0.7
311.07816	1.0
313.05673	2.2
316.02151	1.7
317.02768	0.5
399.91217	0.4
479.11966	6.9
479.21783	0.7
480.11887	2.5
497.46860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.083
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00313	0.7
68.11720	0.6
96.74664	0.5
107.01386	1.3
124.01661	2.1
125.02411	1.0
137.02429	1.2
151.00375	5.2
163.00423	1.4
164.01161	0.9
165.01918	0.9
169.01451	0.7
178.99855	6.5
193.87297	0.5
203.03499	1.1
204.04181	0.8
214.02626	4.2
215.03282	1.0
227.03561	0.7
242.02200	4.1
243.02823	3.1
259.02438	5.7
270.01660	5.9
271.02460	32.2
272.02850	2.1
287.01962	18.0
288.02509	2.5
312.13885	0.7
316.02222	100.0
317.02859	22.7
318.03271	1.3
479.08267	69.9
480.08539	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	479.104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46441	1.9
59.01377	21.0
60.99309	11.3
61.25907	2.5
61.98816	4.1
71.01384	20.7
71.24308	3.9
72.98903	2.4
72.99304	3.2
73.02946	2.8
75.00867	4.7
83.01419	2.4
85.02943	7.8
87.00876	12.6
88.98801	84.3
89.02452	6.2
93.03511	3.5
95.01368	3.1
95.23757	2.3
99.00872	3.2
99.04499	5.3
101.02450	5.8
107.01393	3.6
109.02958	3.9
113.02418	7.0
115.00366	27.6
119.03512	2.2
121.02943	2.7
123.00871	10.1
124.01765	2.5
125.02449	27.7
126.81846	2.1
137.02461	3.2
139.00352	7.1
151.00365	12.1
153.01868	5.4
165.02017	4.2
165.05602	3.1
168.00461	2.9
169.01447	37.2
173.04466	2.7
173.74748	2.2
175.02472	57.5
177.01936	7.3
179.05420	2.1
195.02943	2.5
255.11330	4.0
267.07141	3.1
298.98315	3.7
313.05649	2.3
317.57220	2.3
327.03571	36.3
327.13528	5.1
345.14334	5.8
359.15427	2.5
389.05771	4.8
389.10852	100.0
390.11057	7.2
415.12137	3.4
417.13760	3.5
479.12250	5.2
479.17587	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0833
Annotation	11-o-Galloylbergenin
Peak:m/z	Relative Intensity
55.69524	1.0
57.03427	1.2
58.00587	1.2
59.01151	0.9
59.01381	11.5
61.98824	5.0
67.01891	2.1
69.56776	4.6
69.57203	2.2
71.01372	6.1
75.00887	1.0
81.03458	1.2
83.01366	1.4
83.05002	3.5
85.02954	4.9
87.00875	6.3
88.98774	1.2
89.02449	6.3
91.01876	1.3
93.03461	16.5
95.01340	1.1
96.95997	1.4
97.02947	1.3
101.02451	2.3
107.01398	6.2
107.81017	1.0
108.02168	1.7
108.04539	1.6
109.02959	26.4
110.06162	1.0
110.63279	1.0
111.00871	3.9
111.04516	13.9
113.02445	3.8
115.00368	3.6
119.03496	1.7
121.02954	3.5
123.00875	2.6
124.01647	1.6
125.02448	61.5
126.02747	2.9
127.04039	2.3
129.01921	1.0
137.02461	9.8
139.00285	1.7
150.03250	1.4
151.00296	1.2
152.03551	2.1
153.01939	47.8
154.02272	2.2
155.03506	20.9
159.04509	1.6
165.01952	4.8
168.00566	1.1
169.01433	100.0
170.01775	5.0
173.03125	1.8
173.04568	35.7
175.02443	4.7
177.01965	1.6
179.03574	1.7
179.05496	2.1
183.06639	1.9
187.06393	1.8
191.05626	13.4
201.05498	2.1
204.06676	2.9
205.07333	1.2
221.49435	1.1
229.05176	1.1
259.01337	1.2
260.52194	0.9
270.58630	1.0
307.04599	1.2
309.06143	14.6
315.13571	1.2
317.03156	1.3
317.10333	1.3
325.02103	1.4
325.05630	18.5
326.05988	2.2
327.03592	2.5
327.07190	5.9
327.13437	7.0
343.06659	20.7
344.06955	2.6
345.14438	9.0
417.13864	1.9
447.14529	1.2
461.07162	1.2
479.08218	57.4
479.17758	2.9
480.08344	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	479.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.1
58.00590	1.3
59.01375	18.0
61.57244	1.5
70.73204	3.6
71.01379	18.4
72.99299	3.9
75.00885	4.0
85.02966	2.9
87.00874	30.8
88.98833	1.8
89.02442	5.0
89.97860	1.3
93.03441	1.5
99.00877	4.3
101.02460	2.8
107.01367	4.1
109.02946	4.9
113.02444	3.3
115.00366	51.7
123.00885	7.3
124.01638	2.1
125.02445	57.5
126.02717	1.7
133.02930	1.5
135.02982	5.7
137.02446	5.1
139.00336	3.2
139.04030	2.4
142.99866	2.6
143.39085	1.5
149.02403	3.2
151.00346	7.4
151.03932	3.1
153.01884	1.7
155.03482	3.6
159.02948	3.2
161.02452	1.5
163.00403	2.7
165.01932	7.4
166.91321	1.5
167.03519	3.3
168.00620	2.9
169.01399	18.0
173.00943	1.3
174.01706	1.4
175.02467	100.0
176.02762	1.5
177.01917	28.3
177.05396	1.5
178.02341	2.2
178.99881	1.8
179.03542	3.1
191.03450	2.8
193.01341	2.3
202.99826	6.5
211.02437	5.4
217.01364	6.4
226.31728	1.5
257.04413	1.6
271.04446	5.1
297.04190	2.3
299.05606	2.0
303.05206	4.0
305.06638	7.7
317.02917	5.2
323.04068	4.4
327.03522	17.3
343.04391	8.6
357.51553	1.6
359.03574	2.3
361.05551	2.7
371.03998	3.7
389.10907	4.0
396.28784	1.5
409.16690	1.6
479.08521	1.9
479.13925	32.9
480.14462	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	479.0829
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
60.32605	0.7
65.00372	0.8
67.35696	0.6
69.18317	6.1
69.18730	1.5
71.42657	0.6
94.84819	0.7
107.01434	1.5
109.02979	0.8
123.00944	1.0
124.01733	2.4
124.72130	0.6
125.02475	4.4
136.01709	0.7
137.02473	1.7
141.63098	0.6
150.03210	3.3
151.00346	6.8
152.01213	1.8
163.00374	1.5
164.01195	1.8
165.05576	1.3
165.11755	0.6
169.01407	5.8
178.99847	5.5
203.03621	1.0
214.02736	6.6
215.03433	0.8
227.03603	1.1
241.01546	0.7
242.02237	6.1
243.02914	3.9
259.02469	8.4
270.01666	8.6
271.02457	42.6
272.02823	2.7
287.01971	23.3
288.02570	3.0
313.05667	3.0
316.02225	100.0
317.02853	20.3
318.03488	1.0
346.72549	0.7
479.08115	69.6
480.08646	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	479.083
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
57.03457	0.3
57.47550	0.3
59.01379	7.4
59.01683	0.4
61.98830	2.8
63.02423	1.2
65.00315	2.1
70.17700	0.3
71.01377	2.1
71.55192	0.6
71.55553	0.4
72.99327	0.5
73.02972	1.2
73.48253	0.3
81.03456	0.4
83.01392	2.3
85.02972	1.2
89.02489	0.7
95.01408	0.5
96.96056	1.3
97.02989	0.4
101.02482	1.2
107.01395	5.8
108.02210	1.4
109.02962	3.6
111.00954	0.5
113.02477	1.0
119.03516	0.4
121.06628	0.5
123.00890	1.6
123.04529	1.7
124.01656	3.0
124.04053	0.4
125.02453	4.3
129.01892	0.3
135.00914	0.5
135.04453	0.3
136.01639	1.6
137.02444	9.8
138.02823	0.5
139.00423	0.6
139.04047	1.3
140.01172	0.4
143.03568	0.3
144.80339	0.3
151.00365	27.8
152.01172	5.7
153.01953	1.1
155.03683	0.3
156.78735	0.4
163.00388	2.5
164.01170	3.2
165.01967	1.5
165.05560	1.4
167.03493	3.6
168.03799	0.5
169.01422	4.8
175.04037	0.5
177.01869	0.4
178.99858	23.9
180.00197	0.7
187.04001	0.5
190.99937	0.4
192.00697	1.6
193.01413	1.7
199.04106	0.4
203.03557	1.3
204.04362	0.9
205.05150	0.4
214.02708	6.8
215.03481	1.2
217.01527	0.4
225.15048	0.7
227.03497	1.5
227.12885	3.1
232.03748	1.4
242.02167	5.6
243.02919	4.2
245.04532	0.6
255.12494	0.3
258.05264	0.5
259.02487	5.9
260.02762	0.7
269.13956	0.6
270.01715	6.1
271.02454	34.6
272.02753	2.9
275.36194	0.3
287.01968	20.3
287.14963	8.6
287.18179	0.5
288.02457	2.7
288.15146	0.5
289.03525	0.6
289.07211	0.4
297.06091	1.3
299.02039	1.1
300.02728	0.4
311.07751	1.1
313.05850	0.8
315.01410	0.8
316.02216	93.1
317.02951	51.0
317.05972	1.0
317.10876	0.5
318.03372	3.1
329.02948	0.6
329.16013	0.5
359.03873	0.4
364.19058	0.5
389.18152	0.9
461.07178	0.5
473.29910	0.4
479.08203	100.0
480.08539	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	479.0825
Annotation	SCHEMBL1707783
Peak:m/z	Relative Intensity
59.01378	2.2
61.98825	1.7
63.02399	2.3
65.00009	0.3
65.00327	4.2
69.31350	1.5
69.31779	1.3
71.01381	0.8
76.48035	0.3
81.03436	0.5
83.01385	3.2
83.79832	0.3
85.02964	0.4
89.02441	0.6
93.03470	0.5
96.96021	0.4
101.02435	0.8
107.01391	8.8
109.02953	6.1
119.03414	0.4
123.00882	0.4
124.01649	0.4
125.02444	2.5
137.02446	21.2
138.02760	0.5
140.06595	0.3
145.02882	0.4
150.03210	1.2
151.00368	36.0
152.01028	1.4
155.03546	0.4
156.79709	0.4
163.00343	0.7
164.01172	0.8
165.01892	1.5
165.05544	0.9
165.72040	0.4
169.01439	1.7
171.53627	0.3
178.99861	26.3
180.00143	1.3
184.14520	0.3
190.99930	0.4
192.00656	1.7
193.01479	1.5
203.03362	0.3
227.03456	0.7
245.04572	0.6
255.03183	0.3
257.17569	0.7
271.02429	1.8
272.02856	0.5
287.01974	0.8
289.03473	0.5
299.02005	0.7
300.02716	1.2
301.02979	1.0
302.03171	1.5
302.78598	0.3
315.04922	0.6
316.02206	3.6
316.05347	0.5
317.03000	100.0
318.03354	7.3
318.06781	0.4
419.23090	0.6
458.47543	0.3
479.07806	3.7
479.24652	2.1
480.11438	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2938
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
63.44852	0.4
69.51196	2.6
76.89754	0.5
78.95904	100.0
81.76672	0.4
95.37261	0.4
96.96965	8.2
110.49519	0.4
121.02741	0.4
152.99585	15.4
171.00642	18.1
194.55045	0.4
197.83807	0.4
331.41876	0.4
354.72345	0.4
404.25558	1.1
478.29376	57.4
479.08524	0.4
479.29700	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	479.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31113	0.8
58.75360	0.9
59.01382	12.8
60.99295	4.2
61.98823	1.0
69.67118	1.2
70.70382	2.1
71.01381	18.7
72.99316	1.3
73.02966	0.9
78.70802	0.9
85.02956	3.4
87.00880	21.5
88.98803	23.6
89.02467	2.2
95.01382	1.0
99.00895	2.9
101.02447	2.0
107.01405	2.0
109.02919	1.2
111.00941	1.1
113.02459	2.5
115.00373	48.4
123.00894	3.9
123.04501	0.9
124.01635	0.9
125.02446	10.6
127.77186	0.9
135.04501	1.5
139.00333	1.8
140.01088	1.1
151.00374	2.6
159.02968	1.7
168.00630	1.1
169.01431	14.2
175.02478	100.0
176.02809	2.5
177.01895	2.1
177.05571	1.8
197.97296	0.9
211.02455	1.6
240.41313	0.8
327.03564	73.2
328.03812	4.7
345.14706	1.1
389.05792	1.6
389.10846	26.9
390.11111	1.4
394.58026	0.9
407.06628	1.0
479.05063	2.9
479.17352	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2936
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
55.47051	0.5
70.10463	2.1
78.95904	100.0
96.96957	8.2
102.35107	0.6
104.86277	0.5
112.96661	0.5
113.40747	0.6
120.62313	0.5
123.76105	0.5
140.01089	0.6
152.99588	17.4
171.00629	19.3
196.57506	0.5
210.96561	2.4
271.02475	0.7
281.24832	5.4
300.01614	0.5
316.02206	2.1
336.12692	0.8
404.25620	1.1
478.29367	60.7
479.08655	2.9
479.29648	8.0
492.45541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59348	2.3
57.03442	2.4
59.01359	3.6
61.98847	3.8
69.16070	2.2
70.72298	5.0
74.08833	2.2
78.95901	44.7
110.98533	29.7
111.08175	11.4
119.05019	2.5
125.02372	3.1
167.01158	31.9
167.10745	3.9
169.01448	3.9
177.12756	2.8
179.10768	5.6
185.02142	13.0
185.85103	2.3
194.13524	2.9
195.12305	2.4
195.13783	12.1
205.12439	4.6
223.13383	33.6
234.91327	2.3
247.20612	3.9
291.19647	100.0
292.19992	11.5
301.03375	3.3
391.15060	10.9
391.61340	2.7
477.24271	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	478.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54985	0.4
57.03441	0.6
59.01383	3.6
60.78092	0.4
60.78543	0.5
61.98833	1.1
67.01888	1.2
69.03448	1.4
71.01366	3.2
71.54651	0.5
72.99324	0.5
73.02944	1.2
79.01917	0.5
80.05077	0.4
81.03453	1.2
83.01395	0.6
83.05023	3.8
85.02949	1.8
87.00869	4.3
88.98793	0.8
89.02440	1.6
90.96687	0.4
93.03459	9.0
95.01389	0.5
97.02943	0.9
99.00887	0.7
101.02464	0.7
107.01389	10.6
108.04556	35.0
109.02954	3.5
109.04882	0.6
111.00906	0.8
111.04516	13.6
113.02463	0.8
115.00356	1.6
121.02959	1.2
123.00912	2.1
124.01660	1.3
125.02446	62.0
126.02794	1.3
126.05612	0.6
127.04018	1.8
129.01932	0.7
136.98871	0.5
137.02457	2.7
139.00484	1.0
140.01123	1.0
147.04547	0.5
151.00412	0.5
152.03531	64.1
153.01935	5.9
153.03867	1.9
155.03499	21.3
165.01917	1.4
168.00610	1.2
169.01422	100.0
170.01750	3.5
173.04541	34.2
175.02466	2.9
175.03989	1.0
177.01968	0.6
178.39522	0.4
179.05617	0.7
191.05615	1.9
191.07149	0.5
201.05597	1.8
204.06616	0.9
211.02237	0.6
219.06636	0.7
245.04517	1.4
271.04639	0.5
272.05676	1.8
277.79016	0.7
281.06552	0.9
307.04648	0.9
308.07785	8.2
309.06046	2.2
315.13638	0.5
319.44745	0.5
325.05630	42.9
326.05801	1.7
326.09140	3.5
327.03442	1.7
327.07141	0.9
327.13477	1.3
343.06714	4.0
345.14484	2.4
478.09897	13.4
478.16092	1.0
479.08209	9.8
479.17471	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.8
59.01378	5.0
60.75172	1.2
64.22181	1.2
71.02612	2.2
77.80831	1.2
78.95900	19.5
84.31741	1.2
107.73949	1.3
110.98525	19.4
111.08167	9.3
124.21783	1.2
152.99532	1.9
167.01141	8.6
167.10791	4.4
177.12871	3.0
179.10738	2.8
179.14398	1.8
185.02162	10.2
195.13881	12.8
205.12389	4.1
209.11842	3.5
223.13390	21.5
224.13780	1.6
247.20688	3.7
273.18573	2.7
291.19659	100.0
292.20020	10.1
309.20792	1.9
309.67780	1.1
330.07263	1.2
336.85187	1.1
391.15335	5.5
477.22800	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	477.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.9
59.01377	5.5
69.25513	1.7
71.73669	1.8
75.02322	1.9
78.95905	43.6
78.96297	1.6
96.96001	3.5
110.98528	33.8
111.08163	10.0
125.02482	2.6
149.09715	2.3
154.02234	2.0
163.07597	2.2
167.01126	28.1
167.10709	5.6
171.10287	2.2
179.10706	2.1
185.02217	7.0
195.13866	14.3
197.11761	2.7
205.12254	4.2
219.05995	2.0
223.13361	30.8
247.20738	5.2
291.19666	100.0
292.19962	8.1
298.04941	2.2
367.91232	2.6
391.15228	14.7
441.62161	2.4
477.10403	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	477.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.2
57.03436	4.3
59.01381	100.0
61.98829	14.6
64.79214	1.5
69.03455	3.0
69.24963	2.6
69.25365	11.7
71.01381	48.4
72.99305	6.4
73.02952	9.2
75.00874	11.4
83.01389	5.6
83.05036	1.7
85.02950	24.1
87.00874	5.0
89.02442	23.3
94.03822	1.5
95.01394	6.7
96.96007	2.1
97.02959	1.9
98.19877	3.5
99.00862	9.9
101.02444	28.5
101.62097	1.8
103.00359	2.3
107.01389	2.4
111.00849	2.4
111.08150	2.7
113.01706	2.7
113.02452	32.1
117.01976	3.0
119.03500	11.4
119.05020	1.9
123.00856	5.1
125.02447	19.6
125.14744	1.4
129.01872	1.6
131.03577	2.3
135.30901	1.7
137.02437	2.3
139.00412	2.6
140.01201	2.9
143.03502	3.8
145.02975	1.8
148.06322	1.8
151.00386	4.3
159.02950	2.5
161.04543	20.3
165.12845	17.9
168.00664	3.1
169.01428	27.7
170.01826	3.1
175.02490	2.4
177.01949	7.4
179.05634	7.0
183.13899	36.4
184.14265	2.6
193.01448	2.7
209.11781	2.1
227.12875	5.7
240.02904	2.0
240.52907	2.6
249.06129	10.2
253.04967	2.2
255.19470	2.1
267.07166	23.0
267.19504	1.9
287.01941	2.0
297.06433	1.8
300.02814	2.1
301.16571	2.8
313.05722	2.4
314.04388	2.2
315.05173	2.7
315.76636	1.9
316.53305	3.1
323.05515	4.9
324.58627	4.6
325.08868	1.9
331.08142	1.9
337.06995	1.7
400.59079	24.7
401.09283	2.8
417.24954	42.8
418.25784	4.0
477.13785	2.5
477.19775	67.0
477.30203	3.3
478.20209	6.4
496.56720	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45665	1.1
52.05711	0.9
54.12579	0.7
54.18186	0.8
55.01875	1.5
57.03436	2.7
59.01380	16.5
60.01701	0.8
67.01872	0.9
69.22282	6.7
69.22687	1.7
71.01379	18.0
72.99304	3.8
73.02937	1.9
75.00871	14.1
84.88036	0.7
85.02949	18.8
87.00866	5.8
88.36646	0.8
89.02428	4.8
94.15011	0.9
95.01380	4.3
96.95999	0.9
99.00880	8.3
103.00344	1.5
107.01387	1.0
111.08160	1.1
113.02453	20.4
115.00345	1.3
117.01917	1.9
124.01642	0.9
125.02504	4.2
128.36374	1.0
129.01945	1.9
137.02449	1.2
157.01436	1.0
163.04117	0.9
165.12848	9.1
167.03497	1.6
169.01402	4.4
175.02495	3.1
177.01814	0.8
183.13892	79.0
184.14226	3.3
205.07118	2.0
209.11908	2.4
227.12875	5.0
249.06210	2.9
267.07217	12.3
301.16550	4.0
317.17639	1.1
371.35501	0.9
371.40057	0.8
379.56372	0.8
415.19754	7.8
459.18835	4.3
477.19769	100.0
478.20062	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	477.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02813	0.3
52.44418	0.3
56.56339	0.3
57.03429	0.8
59.01380	9.9
59.55101	0.3
61.98830	2.7
62.09409	0.3
71.01379	2.5
71.55589	0.5
72.99266	0.5
73.02924	0.7
83.01353	0.8
85.02921	1.4
87.00861	0.4
89.02412	0.9
93.03444	1.0
95.01331	0.4
96.32837	0.3
96.95974	0.8
97.02868	0.3
98.82973	0.3
99.00868	0.5
101.02417	1.7
106.06641	0.6
107.01368	1.8
108.02143	0.9
111.00845	0.5
113.02439	1.2
119.03510	0.6
119.05032	0.6
121.02915	0.5
123.00838	0.8
123.04486	0.5
124.01640	1.6
125.02441	8.9
126.02792	0.6
133.31737	0.3
137.02444	3.1
139.07631	0.7
145.02971	0.5
147.04456	0.4
148.01662	0.8
149.02417	0.4
151.00375	2.7
161.02408	0.7
163.00323	0.4
165.01863	0.4
166.05029	0.8
167.03505	2.5
168.03836	0.4
169.01424	6.5
170.01833	0.9
171.01877	0.4
177.01866	1.5
179.03581	0.4
181.12387	0.4
183.10179	0.4
183.13834	0.4
191.03484	0.4
191.60396	0.4
193.01347	0.5
199.03966	1.5
215.03413	0.7
216.04153	0.5
226.02658	0.7
227.03560	2.1
243.00473	0.4
243.02962	8.3
244.03526	0.6
254.02206	1.7
255.02972	18.9
256.03433	1.8
271.02466	38.3
272.02869	3.6
287.01984	0.5
298.92685	0.4
299.01962	10.9
300.02737	100.0
301.03146	8.1
314.04346	0.5
315.05078	89.5
316.02069	0.7
316.05423	7.2
317.17535	1.0
318.17938	0.8
324.58658	0.5
326.09891	0.5
331.04614	0.6
353.18741	0.5
389.25555	0.7
417.25131	1.8
447.17993	0.5
462.08173	1.5
477.10443	29.4
477.18124	3.9
478.10706	3.4
478.17752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.1
61.98831	1.5
71.01390	1.9
73.02925	0.8
85.02969	0.6
87.00851	0.4
89.02427	0.8
98.20738	0.9
101.02441	0.8
102.80721	0.4
114.80125	0.4
125.02439	1.5
151.00365	1.3
161.02412	2.6
169.01483	0.9
175.04057	0.6
185.02434	0.6
199.03946	0.4
203.03458	1.8
215.03508	0.8
227.03453	3.4
240.33180	0.4
243.02953	2.2
271.02420	4.9
272.03268	12.2
273.03793	1.3
280.28979	0.4
293.03503	0.4
299.01944	9.5
300.02728	100.0
301.03128	9.9
314.04227	3.5
315.05078	83.7
316.05402	7.0
344.05356	0.9
401.07053	0.5
477.10330	45.6
478.10608	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.8
67.01910	0.5
68.74195	0.6
70.39636	2.0
71.01382	4.0
76.93051	0.5
79.99006	0.5
82.00606	0.5
83.01366	0.7
85.02949	1.0
95.01412	1.5
97.02989	0.9
100.68607	0.6
101.02457	1.7
107.01382	7.6
111.00890	2.0
113.02436	1.3
119.05031	72.4
120.05393	3.4
123.00894	10.7
124.01694	1.3
125.02450	48.2
126.02812	0.9
136.98749	1.1
139.00368	4.0
140.01167	2.2
141.01973	0.9
144.39757	0.5
150.03467	0.6
151.00359	8.4
153.01878	0.8
163.04019	27.4
164.04381	1.3
168.00648	3.1
169.01434	63.1
170.01759	1.9
171.44946	0.6
193.01421	1.0
199.92169	0.6
211.02457	1.9
223.02739	0.5
241.03532	1.3
287.01849	3.5
289.33633	0.6
313.05630	25.4
314.05908	2.4
325.09128	0.6
368.59985	0.6
433.11368	8.3
434.11313	1.2
459.09402	2.2
477.10361	100.0
478.03781	0.8
478.10669	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	477.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61441	0.5
57.03453	0.9
59.01380	6.0
61.98829	1.2
65.00327	1.6
71.01369	1.7
71.10976	1.0
72.99299	4.2
73.02919	0.7
83.01383	1.7
85.02956	4.2
87.00855	1.1
91.15966	0.5
93.45798	0.6
95.01379	1.2
101.02418	0.8
104.49100	0.5
107.01408	4.0
113.02468	3.6
119.04966	0.7
124.18789	0.6
125.02435	3.4
145.02957	1.2
145.05067	1.4
148.01674	1.4
149.02464	2.2
149.99551	2.4
151.00362	10.6
168.00644	2.3
169.01399	1.2
171.02982	1.9
175.02397	1.3
178.99762	0.6
181.12453	0.7
189.04053	2.5
199.04033	1.2
201.01912	1.4
203.03525	1.0
215.03487	0.9
225.14963	2.2
227.03381	2.1
227.12889	0.7
231.02969	0.8
243.03036	3.5
255.02863	0.9
259.02377	0.9
271.02463	31.8
272.02966	3.8
283.02493	1.3
285.04083	1.4
287.01971	2.5
287.15018	2.7
299.01959	49.2
300.02725	100.0
301.03143	6.3
303.21759	1.0
314.04282	8.9
315.01605	3.2
315.05078	43.3
316.01962	1.9
316.05429	3.7
329.15872	0.7
330.03836	3.3
331.04254	4.0
357.06384	0.8
424.54651	0.6
459.08902	0.8
477.10370	57.7
477.19025	2.4
478.10669	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	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40038	1.1
51.95387	1.1
52.90678	1.0
53.18513	1.1
59.01379	3.4
63.76407	1.3
69.03465	2.0
69.19285	12.4
71.01379	3.7
79.01885	1.4
83.01388	1.4
85.02940	2.4
87.00891	1.3
88.98809	1.3
89.02426	1.7
93.03452	10.4
95.01402	1.5
95.59299	1.5
97.02937	2.3
101.02423	1.6
102.65308	1.6
107.01382	11.1
111.72494	1.4
113.02456	2.6
119.05025	66.7
120.05380	2.2
123.00881	13.1
123.04526	1.4
124.01708	1.9
125.02446	73.6
126.02782	2.7
135.04637	1.3
137.02434	15.9
139.00381	3.6
140.01193	2.7
151.00345	8.9
155.03458	1.9
163.04007	34.0
165.01857	1.3
168.00645	3.8
169.01421	100.0
170.01723	4.5
190.53453	1.1
269.08044	1.8
271.04593	2.1
275.43271	1.3
300.09900	8.9
304.90073	1.3
313.05637	37.9
314.05951	2.7
315.12381	19.1
325.05582	15.8
433.11417	3.5
477.05908	17.5
477.10217	76.8
478.11725	10.4
500.71527	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
57.29834	0.3
62.96386	0.3
70.95482	0.6
78.95903	100.0
79.02000	0.4
85.90173	0.3
96.96960	7.4
98.03802	0.3
152.99586	15.3
156.65294	0.3
171.00638	16.9
213.01729	0.3
214.04837	0.6
224.66638	0.3
254.43030	0.3
279.23251	5.4
280.23669	0.6
304.19214	0.3
316.10501	0.3
402.24231	2.3
475.00577	0.3
476.27798	61.7
477.28156	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	477.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98914	0.4
59.01380	4.2
61.98815	0.6
63.02385	2.4
63.69686	0.4
65.00327	4.0
69.55033	2.9
71.01385	3.0
72.99290	0.9
75.00842	0.5
83.01389	3.1
84.50881	0.4
85.02967	2.5
87.00875	0.5
89.02396	0.6
89.23602	0.4
93.03449	1.3
95.01378	0.9
96.96004	0.8
99.00854	0.9
101.02399	0.6
103.00375	0.4
107.01384	7.4
109.02938	3.7
113.02422	1.9
119.01363	0.7
119.05042	2.0
121.02956	7.2
123.00880	0.7
125.02462	3.3
135.00917	0.6
137.46576	0.4
139.03976	0.7
141.36827	0.5
145.02878	0.5
149.02455	1.4
151.00362	31.0
152.00687	1.3
159.04529	0.8
163.00374	5.0
163.03973	1.3
164.01071	0.7
169.01427	4.5
175.02444	1.2
177.05551	0.4
178.99841	13.6
183.04520	0.8
187.03983	1.3
189.01945	0.4
190.99971	0.4
192.00662	0.6
199.03865	0.5
201.05527	1.4
203.03474	0.5
205.04956	0.5
211.04034	2.0
227.03520	2.0
229.05005	1.6
239.03465	1.2
243.02917	0.7
245.04553	3.1
255.02977	4.2
256.03687	1.2
257.04538	0.9
259.02393	0.5
266.02310	0.6
270.98843	0.6
271.02316	0.8
273.03973	2.8
283.02606	2.6
285.03836	0.5
287.01920	0.5
298.98346	0.8
299.99118	2.4
300.02423	0.8
301.03510	100.0
302.03873	8.4
313.05676	1.9
315.01416	2.7
345.10883	1.0
425.39398	0.4
477.06174	12.6
478.07214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84507	0.9
59.01385	8.8
61.98829	100.0
71.01379	3.0
71.52026	0.9
71.52425	1.3
79.33980	0.9
82.58751	0.8
85.02922	2.5
96.96012	1.9
101.02433	1.5
111.00886	0.9
124.01643	1.1
125.02435	6.7
128.98534	1.0
137.02361	0.9
152.99550	1.0
156.99922	1.1
161.02420	0.9
165.12926	1.9
167.03479	1.4
169.01434	5.9
183.13928	1.8
184.14212	1.4
241.14539	1.1
317.17471	2.1
476.19757	1.2
476.25858	1.6
477.32083	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01344	1.0
61.98827	2.6
63.65155	1.0
67.26025	0.9
78.95903	100.0
89.76456	0.9
96.96960	7.5
99.20526	1.1
136.50273	1.0
149.28740	1.0
152.99593	16.1
171.00656	18.1
180.62863	0.9
229.36122	1.1
265.14737	1.2
279.23233	2.6
279.74280	0.9
301.36655	1.0
476.27792	59.9
477.28372	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	476.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.2
59.01381	100.0
60.01717	4.6
61.98828	17.9
62.12478	1.3
66.16174	1.2
69.03471	2.6
71.01385	30.2
72.01749	2.7
72.99314	2.5
73.02949	13.5
74.03299	1.9
75.00878	2.9
81.03461	1.4
83.01383	4.6
85.02940	13.2
87.00890	4.3
87.04514	2.1
89.02441	16.0
95.01383	3.6
96.96014	2.6
98.20670	2.5
99.00899	3.9
101.02448	17.2
102.02824	1.6
107.01373	4.3
111.00883	2.0
112.47898	1.3
113.02455	16.3
114.02799	2.3
119.03510	4.8
119.05016	2.5
121.03017	1.8
123.00883	13.2
124.01730	1.5
125.02461	24.8
126.02831	1.8
131.03502	2.0
137.02422	4.2
139.00410	3.6
140.01146	2.4
141.01955	1.6
143.03537	2.7
143.07175	1.6
147.04373	1.4
151.00360	11.0
161.04564	5.6
162.04958	2.2
165.01953	1.5
165.09114	1.7
165.86029	1.3
166.37010	1.3
167.03529	1.8
168.00630	3.0
169.01424	26.0
170.01669	1.5
173.16466	1.3
177.01918	3.5
179.05603	3.8
193.01393	1.9
211.02464	1.9
213.69127	1.3
221.82950	1.3
241.05835	1.4
243.03105	1.7
253.03529	1.5
271.02249	2.0
272.06625	2.0
300.02658	7.1
307.87991	1.6
313.03262	2.3
314.03876	5.1
315.04950	7.5
328.18484	2.1
413.14499	91.9
414.14883	9.5
415.23264	2.9
416.23807	6.6
417.24957	4.8
434.24844	2.5
476.08694	2.1
477.10107	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	476.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
61.98819	0.4
71.01380	1.8
71.54664	0.3
72.99316	0.4
74.56348	0.2
75.00877	1.2
76.70079	0.2
81.55020	0.2
85.02934	1.2
87.00892	0.4
89.02435	0.5
93.03434	0.3
96.96042	0.3
99.00883	0.6
101.02441	0.6
107.01377	0.6
108.02169	10.5
113.02437	1.3
113.82307	0.2
123.00859	0.4
124.01702	0.3
125.02450	2.1
137.02419	0.4
138.01965	100.0
139.00363	0.3
139.02287	2.9
139.03993	0.3
151.00449	0.3
167.03525	0.4
168.00594	0.2
169.01430	2.9
170.01869	0.3
177.01927	0.4
183.02963	0.3
193.03444	0.3
211.02484	1.1
227.88980	0.2
229.05298	0.3
271.04633	1.4
272.04984	0.3
331.06366	0.4
337.07516	1.3
419.11975	0.4
425.07553	0.3
476.09717	0.6
476.15164	1.0
477.12024	0.8
477.17175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47725	1.6
52.51704	1.6
57.03434	1.4
59.01380	39.4
61.98832	19.5
71.01383	13.1
71.54094	2.7
72.99333	3.0
73.02943	8.9
74.02460	2.1
77.90136	1.5
83.01379	2.4
85.02953	4.5
87.00880	3.3
89.02464	6.1
89.79185	1.6
95.01367	2.0
96.96024	4.1
99.04558	1.5
101.02447	6.1
107.01378	6.5
109.02952	2.2
111.00888	3.3
113.02441	5.5
117.03448	2.3
119.05001	8.3
123.00874	7.3
123.04505	3.0
124.01697	2.5
125.02450	65.4
137.02391	3.4
139.00438	2.1
139.04018	15.0
140.01155	2.6
145.02924	9.8
151.00371	9.0
163.04004	5.4
167.03496	4.7
168.00655	6.7
169.01425	100.0
169.05057	18.5
170.01862	4.8
177.01884	2.3
181.12344	1.9
209.04591	2.2
211.02496	24.1
217.47343	1.4
229.04900	1.6
241.03497	4.8
271.02344	15.5
271.04626	27.3
287.01981	2.4
287.15103	1.8
289.07153	4.2
299.01999	20.8
300.02753	11.2
307.08112	3.0
313.05692	37.3
313.09308	2.1
314.00763	2.4
314.04172	3.1
315.05136	22.1
315.08557	2.9
329.02957	2.2
331.06631	5.5
331.10352	6.2
357.09824	5.9
376.99500	1.6
387.11020	4.9
409.05319	1.5
413.10858	78.3
414.11255	8.6
416.23624	2.3
441.08075	4.8
450.92618	1.7
462.08228	3.7
476.13058	2.3
477.10257	53.6
477.19632	2.7
477.23911	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	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88842	0.6
55.01875	1.1
57.03448	2.6
58.00597	1.2
59.01379	100.0
60.01722	1.3
61.98833	1.8
65.00330	0.9
69.03452	0.9
69.30753	1.8
69.31184	3.5
71.01383	30.3
72.01705	0.5
72.99323	2.5
73.02946	13.9
75.00876	2.7
83.01385	5.7
85.02956	10.0
87.00883	3.2
87.04514	1.1
89.02444	18.5
93.03481	1.9
95.01382	4.0
96.96056	0.8
97.02969	1.1
99.00858	3.4
99.04558	0.9
101.02442	20.2
101.03100	1.1
101.06117	1.6
107.01383	3.2
109.02956	0.5
111.00887	0.6
113.02447	21.9
119.03529	7.2
119.05017	5.5
125.02444	11.1
125.03325	1.0
131.03517	2.1
137.02498	2.1
138.77614	0.6
139.00392	0.8
139.11319	1.7
143.03511	2.9
145.03014	0.7
145.05121	0.6
149.04643	1.1
151.00360	6.7
152.10240	0.6
154.00409	0.6
155.04958	0.6
161.02469	2.6
161.04552	6.6
163.03957	0.6
163.11380	1.1
165.04141	0.9
169.01447	3.7
177.01959	1.3
177.69487	0.5
179.05609	5.4
181.12389	1.4
183.10297	1.2
191.03613	0.8
201.20880	0.5
225.11324	0.8
225.15120	0.7
249.06126	0.7
269.04642	1.4
271.06149	13.0
271.19278	1.2
272.06616	1.2
283.19122	0.7
289.07379	0.8
295.02728	0.6
313.03662	3.9
314.04190	0.6
327.18204	2.9
327.21811	1.6
392.18027	0.6
397.22577	0.8
413.14450	5.3
415.23349	8.9
416.23938	0.7
431.18924	1.2
431.27942	0.6
433.24362	3.7
434.25009	0.7
457.17419	1.3
475.08661	1.2
475.11984	0.8
475.17908	6.7
476.18420	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	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03465	1.2
58.00589	1.3
59.01378	100.0
60.01711	0.7
61.98853	1.0
67.89010	0.6
69.42615	5.5
71.01383	26.4
72.99303	2.8
73.02944	18.5
73.54976	0.7
75.00876	4.1
83.01384	5.5
85.02954	12.2
86.03306	0.8
87.00864	3.4
87.04519	1.3
89.02441	14.3
91.82516	0.7
95.01376	2.8
99.00878	3.2
99.04547	0.8
101.02443	22.7
107.01392	1.7
111.00925	0.7
113.01717	1.0
113.02454	17.2
114.17859	0.7
115.04020	0.9
117.01897	1.1
119.03499	4.8
125.01559	0.8
125.02414	4.8
128.28522	0.9
129.01920	0.8
131.03500	2.3
137.02509	0.7
138.31981	0.8
139.11259	2.1
143.03465	2.4
149.04532	1.9
161.04575	4.8
169.01421	2.8
179.05611	3.0
181.12364	1.7
183.10211	2.6
243.12323	1.0
249.06142	1.1
256.05005	0.7
271.19159	0.9
291.63867	0.8
323.25253	0.8
327.17975	1.3
415.23593	5.2
431.18820	1.7
433.24060	2.3
457.17130	1.7
475.08511	1.3
475.17984	24.7
475.28394	1.4
476.18188	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	475.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
58.00584	0.6
58.64082	0.5
59.01380	100.0
60.01711	1.1
61.98833	2.5
68.02536	8.7
69.02906	0.9
71.01376	9.9
72.01740	0.6
72.99313	0.9
73.02962	3.0
75.00884	1.2
78.23763	0.5
79.48134	0.6
83.01385	0.6
85.02940	3.6
87.00883	5.1
89.02455	3.6
92.28511	0.5
93.03471	0.7
95.01376	0.9
96.96027	0.9
99.00890	1.2
99.98309	0.5
101.02448	6.9
107.77341	0.6
111.00903	1.8
113.02450	4.0
119.03516	1.8
121.02904	0.5
123.00934	0.9
123.04544	1.1
125.02448	5.1
126.99574	1.3
127.99927	1.6
128.99272	25.5
129.01938	0.6
129.99605	9.8
136.01686	1.5
137.02448	0.9
149.06058	0.9
151.00389	1.1
151.04034	2.5
161.02490	0.7
161.04556	6.8
167.03494	3.9
169.01451	4.4
173.00966	1.4
173.04573	1.4
177.01950	1.3
179.03522	0.7
179.05588	0.8
181.04999	1.1
183.13872	0.9
239.12811	0.6
255.15826	0.7
345.19244	4.0
387.14493	2.5
415.23227	4.6
475.30161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	16.0
59.61651	4.0
69.18881	23.9
69.19303	18.6
71.01360	4.8
77.79621	4.3
78.95908	81.8
81.03444	4.8
81.35035	3.8
83.01401	8.8
83.05051	6.1
94.02750	4.0
97.02950	4.9
97.06572	10.6
110.98512	50.3
112.19408	4.1
112.98804	4.0
119.43378	4.6
123.04571	6.9
125.09718	13.3
127.81670	3.9
128.89140	3.9
134.73013	4.3
137.09698	7.9
149.06041	4.2
151.11275	4.8
163.11270	17.3
165.09169	4.7
165.12840	5.2
167.01144	47.5
168.89920	3.9
179.46625	3.8
181.12338	6.5
185.02202	13.4
185.11807	10.8
191.14406	14.7
207.10262	10.2
209.11845	64.2
225.11238	9.3
245.19147	27.6
250.53343	4.6
289.18094	72.6
290.18442	9.2
307.19144	37.6
308.19525	6.6
398.27542	4.4
457.07156	4.9
475.20959	100.0
475.27765	7.1
476.21194	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50776	0.6
59.01380	20.8
61.98833	0.9
67.33039	0.6
71.01406	2.5
71.05038	2.7
71.54823	0.7
73.02960	1.0
78.95902	8.6
80.02717	0.7
81.03461	1.5
83.05040	1.4
85.02949	1.6
95.05062	2.3
96.96036	1.2
98.03727	1.3
101.02454	1.5
106.04273	1.0
107.05051	0.7
109.02977	0.8
109.06593	11.7
110.98536	6.8
111.04520	5.1
111.08181	0.9
112.05315	0.8
113.02483	1.4
121.06635	1.0
123.04514	0.7
123.08195	1.0
125.02483	1.7
127.07653	2.0
135.08151	0.8
137.06117	1.0
137.09785	1.1
143.10806	0.6
145.06610	2.3
149.09781	0.9
151.11235	0.8
161.09650	0.8
167.01149	2.7
167.10799	2.0
169.01489	1.4
171.88959	0.8
179.10876	0.6
180.39087	0.7
183.13834	0.9
185.02188	7.4
191.14459	1.0
195.13898	1.7
235.13431	1.2
243.68802	0.7
245.19008	4.5
271.17026	1.6
287.16428	2.6
289.18091	100.0
290.18442	8.9
307.19165	7.2
357.26556	0.9
415.26889	1.4
424.96149	0.7
433.28140	1.9
475.20874	21.8
476.21118	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63293	0.5
67.71906	0.6
71.22244	0.7
71.22617	0.5
78.95905	100.0
96.96963	7.2
124.74215	0.5
136.07704	0.6
140.01134	1.2
152.99577	18.3
171.00623	15.9
189.56580	0.5
196.03751	1.8
214.04848	1.1
277.21725	13.5
278.21945	1.0
286.54678	0.6
332.48209	0.7
349.25546	0.6
391.60361	0.6
400.22403	1.4
474.26245	59.7
475.26633	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	25.0
67.01906	2.4
69.38091	13.0
70.42518	1.5
71.01385	18.9
73.02933	2.2
75.00884	5.2
79.95767	2.1
80.96521	6.1
83.01382	3.0
85.02948	7.8
87.00894	4.6
88.98796	9.7
89.02434	13.2
95.01356	2.2
96.96001	24.9
97.02915	2.3
99.00878	5.5
101.02418	9.7
107.01405	5.8
107.07715	1.6
111.00898	4.5
113.02451	10.1
119.03461	3.6
123.00883	8.8
124.01645	2.3
125.02441	34.5
136.05318	11.2
137.09770	1.9
139.00369	4.4
139.03954	1.8
140.01175	3.6
143.03473	4.3
149.04562	1.9
151.00389	6.8
151.03967	5.2
152.98611	3.7
153.05606	2.3
161.02449	5.3
165.04045	3.2
165.05434	2.1
167.03502	3.4
168.00600	14.6
169.01431	41.7
170.01801	2.7
177.01875	3.0
180.04266	23.4
180.98119	7.4
181.05023	2.3
183.02994	6.2
191.07027	1.9
191.08670	1.8
210.01740	2.6
211.02455	54.2
212.02675	2.8
222.99193	7.2
225.04092	9.3
225.07692	5.9
241.00151	3.6
249.06068	5.5
258.96796	2.0
267.07294	3.8
271.04587	52.3
271.07504	2.5
285.06171	4.7
313.05685	4.5
323.13525	17.3
331.06735	2.6
390.49457	1.8
438.98730	27.7
439.98907	2.2
457.13110	1.9
474.96457	8.3
475.13925	100.0
476.14474	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	473.306
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54752	2.6
107.21379	1.3
115.30239	1.6
121.06605	12.5
124.19841	1.3
133.06577	2.0
149.09729	100.0
150.10063	4.3
163.11298	2.4
205.15929	14.5
297.18695	6.6
311.20193	26.2
312.20490	1.8
323.20163	20.0
324.20557	2.1
374.31595	1.5
376.56808	1.7
457.25156	7.2
473.30072	99.9
474.30338	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	474.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42031	0.3
68.04349	0.3
70.03797	0.8
70.04212	0.7
78.95902	100.0
96.96960	8.7
98.20007	0.5
112.13261	0.3
122.00154	0.3
131.43990	0.3
135.04593	0.4
140.01201	0.4
150.98039	0.4
152.98581	0.2
152.99574	16.8
171.00632	16.9
223.01530	0.3
277.21841	1.2
400.22681	1.9
474.26242	57.3
475.26520	6.3
483.00891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67599	1.8
57.03452	1.9
59.01379	93.9
60.01696	2.2
61.98829	6.9
69.77537	9.1
71.01386	4.5
71.32990	1.4
72.99317	2.5
75.29786	1.5
84.88757	2.0
85.02949	2.7
87.00850	1.5
89.02461	1.5
94.82399	1.7
95.01360	1.6
96.96078	1.5
97.06615	2.0
98.65489	1.6
101.02471	3.2
107.01411	1.5
111.00879	2.8
113.02445	5.0
115.04055	2.9
116.47929	1.5
121.02991	3.1
123.00860	2.3
125.02441	14.7
136.07664	2.1
137.02475	2.3
137.09773	1.8
151.00369	3.0
151.11256	6.8
161.04623	2.4
169.01443	12.2
189.16426	2.1
205.16069	1.6
210.69278	1.5
227.03563	1.5
251.16508	100.0
252.16841	8.0
267.15991	4.8
303.04694	1.6
311.15070	14.1
329.23462	1.7
402.23102	1.7
473.21094	5.2
473.28345	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	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00982	0.3
59.01379	100.0
60.01720	0.7
61.98827	1.4
64.95379	0.2
69.71756	1.5
71.01388	1.7
73.02934	1.9
73.93446	0.2
75.00880	0.3
80.44350	0.3
83.01404	0.4
85.02973	0.5
89.02455	0.4
95.78363	0.2
96.96061	0.3
101.02457	2.3
113.02443	0.9
119.03555	0.3
121.02974	0.8
123.00890	0.3
125.02495	0.9
131.03519	0.3
131.12674	0.2
149.04510	0.3
169.01471	1.0
188.03625	0.4
382.49182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44053	0.5
56.32218	0.6
57.03452	0.9
59.01381	100.0
60.01707	1.4
65.63304	0.6
67.01888	1.2
69.64387	3.2
71.01385	5.0
72.99309	0.9
73.02965	2.2
75.00887	0.9
79.01894	0.7
81.13920	0.5
83.01386	1.5
85.02954	3.6
86.85607	0.6
87.00883	1.1
89.02449	1.2
89.72344	0.5
95.01403	2.2
99.00910	1.5
101.02452	3.7
107.01383	3.4
111.00900	2.9
113.02463	3.5
123.00893	15.5
124.01679	1.5
125.02452	13.6
126.02810	0.7
127.00356	0.8
136.98802	1.5
139.00363	5.4
140.01216	3.6
141.01930	1.2
147.86301	0.6
151.00374	10.2
152.01088	1.1
153.01947	0.7
161.04668	0.8
167.47162	0.6
168.00629	3.8
169.01418	14.6
179.10768	1.2
187.16037	0.5
193.01421	1.5
195.01828	0.7
211.02480	0.8
218.22598	0.5
249.06026	1.3
267.07175	1.6
271.04535	0.8
294.69427	0.6
313.05606	0.8
351.72043	0.5
455.15475	0.6
473.20343	91.6
474.20721	12.0
474.26996	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
55.59414	0.5
55.91323	0.6
57.03461	0.7
58.76499	0.7
59.01379	100.0
60.01729	0.8
69.03450	0.7
69.28442	2.6
69.28861	2.5
71.01392	6.8
72.99330	2.4
73.02962	2.1
75.00884	2.1
78.05695	0.6
83.01402	1.4
85.02940	4.7
87.00886	1.0
89.02462	2.1
95.01409	1.9
96.96038	1.8
97.02979	0.7
99.00878	1.5
101.02427	3.1
107.01405	1.8
108.02265	1.3
111.00892	2.7
112.03246	0.7
113.02457	4.7
119.03527	0.8
123.00883	8.2
124.01659	1.1
125.02445	12.3
131.03508	0.6
136.98810	1.1
139.00371	3.1
139.93048	0.6
140.01166	2.3
141.01994	0.7
149.04630	0.7
151.00357	7.0
152.01163	2.3
161.04631	1.5
163.04065	0.6
167.03497	0.6
168.00647	2.1
169.01425	12.3
179.10759	0.8
207.05038	0.8
211.02417	0.7
223.13356	0.7
249.06282	1.8
267.07281	3.5
269.23935	0.7
271.04660	1.1
287.15091	1.1
316.43570	0.6
392.66534	0.8
413.21887	1.4
453.05112	0.5
473.20358	48.9
474.20761	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	473.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.78215	1.3
60.01702	2.0
61.54797	1.1
61.98822	9.9
67.35076	1.1
70.15223	1.4
72.39672	1.2
98.19872	3.9
125.02454	3.7
129.62541	1.1
135.04478	1.8
139.00218	1.2
169.01352	3.8
199.77211	1.3
225.27969	1.3
393.91971	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
57.03434	2.4
58.00560	1.6
59.01379	100.0
61.98812	1.3
65.31850	1.2
65.46798	1.1
67.01868	1.3
68.99803	1.3
69.03432	2.3
71.01386	18.3
71.54828	1.4
72.99306	7.1
73.02927	4.4
75.00867	12.4
83.01380	2.8
85.02957	22.4
87.00874	8.8
89.02412	4.8
95.01350	5.8
96.95993	1.5
97.02939	1.6
99.00889	8.2
101.02409	5.1
103.00362	1.3
107.01340	2.5
108.02139	2.6
109.02921	1.5
111.00824	1.8
111.04479	1.3
113.01729	1.7
113.02449	24.8
115.00365	1.5
117.01891	3.0
119.03452	1.4
123.00843	3.8
125.02443	16.2
129.01918	1.8
135.11835	5.9
137.02374	1.4
139.00342	1.9
148.91400	1.2
151.00327	3.0
152.01105	2.7
157.01338	2.8
161.02356	1.4
161.04395	1.8
161.09679	2.0
169.01439	20.6
170.01741	1.9
175.02393	3.5
175.03868	1.7
179.10799	18.8
180.11021	2.5
189.03981	1.7
206.57225	1.3
223.09671	2.4
231.05011	1.7
249.06177	29.6
250.06320	1.8
267.07190	8.0
279.86807	1.1
287.15033	1.8
297.13458	8.3
392.15558	2.1
429.09280	2.0
429.17505	15.8
430.17856	1.3
431.92776	1.5
455.15802	1.6
468.97031	1.3
473.16263	70.1
474.16367	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	473.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.2
57.03435	2.8
59.01382	21.1
67.01889	1.1
68.99822	1.0
69.03454	3.1
69.37341	7.7
71.00999	1.3
71.01379	18.6
72.99314	5.1
73.02932	2.5
75.00880	10.9
81.03466	1.0
82.00125	0.7
83.01414	2.1
85.02955	18.1
85.06664	0.8
87.00871	6.8
89.02419	4.8
93.03418	1.0
94.54758	0.8
95.01398	5.0
96.78156	0.8
96.96002	3.6
97.02982	1.7
99.00898	6.8
99.22701	0.7
101.02449	2.5
102.98051	0.9
103.00391	1.6
107.01404	2.1
111.00893	1.8
113.02454	22.4
115.00370	1.5
117.01933	2.4
119.05053	1.4
121.02943	4.7
123.00894	6.5
123.04628	0.9
124.01688	1.7
125.02451	59.1
126.02849	1.5
129.01924	2.4
137.02438	1.1
138.01991	1.7
139.00363	2.4
140.01132	1.2
140.14844	0.8
141.01854	1.4
145.02898	1.8
147.04536	2.2
149.01262	1.8
149.02444	30.0
149.04492	2.0
150.03101	1.8
151.00386	2.9
163.03947	1.3
164.04802	26.3
165.41168	0.8
166.99829	3.2
167.03610	1.1
168.00549	1.9
169.01422	100.0
170.01761	4.0
175.00310	1.9
175.02510	1.7
175.03949	1.3
176.01105	1.0
177.01869	1.1
179.07088	1.6
181.26535	0.9
189.04037	0.9
190.02681	2.5
191.03462	2.0
191.39070	0.9
196.93094	0.9
199.04027	1.0
205.05069	3.3
209.04552	1.4
211.02478	1.0
212.62001	0.8
223.06078	17.4
231.04979	1.2
249.06146	17.9
250.06516	1.1
251.13060	1.1
259.02789	0.9
267.07202	55.9
268.07541	3.3
271.04660	1.5
276.02682	0.9
282.07516	1.0
288.08902	1.1
297.09616	1.5
321.02521	16.4
322.02948	1.4
327.95969	1.2
441.10272	1.0
455.11737	1.8
473.12653	22.2
473.16904	18.8
474.12561	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	472.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.03439	0.6
59.01379	11.2
60.01713	0.3
61.98833	2.5
68.02537	23.6
69.02868	0.4
71.01384	5.2
71.55409	0.4
72.99330	0.3
73.02943	0.8
75.00878	0.6
83.01398	1.0
85.02958	2.2
87.00883	0.5
89.02448	2.5
91.01839	0.4
93.03443	0.3
93.20220	0.3
95.01390	0.4
96.95998	0.3
99.00903	0.3
99.04529	0.4
101.02450	2.9
109.02937	0.3
113.02452	1.8
116.07177	55.8
117.07531	1.2
119.03513	0.5
120.24586	0.3
125.02431	2.9
126.99567	100.0
127.99895	2.2
132.55403	0.3
134.03888	0.3
135.02995	0.4
137.02373	0.4
145.02948	0.5
145.59663	0.3
161.04585	1.0
169.01440	0.8
223.14941	0.4
237.66858	0.3
251.16537	0.5
270.67352	0.4
275.11411	1.2
292.19208	0.4
413.21924	1.0
454.24484	0.5
468.41223	0.3
472.25516	47.8
473.10522	0.4
473.19861	1.0
473.25821	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	472.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28218	0.3
52.41777	0.2
57.46020	0.2
59.01379	5.9
60.01704	0.2
61.98832	0.7
67.67519	0.3
68.02535	55.8
69.02854	0.5
71.01379	3.4
72.99329	0.3
73.02946	0.5
75.00874	0.3
83.01403	0.3
85.02962	1.2
87.00863	0.4
89.02444	3.5
91.01944	0.3
95.57782	0.2
99.00882	0.3
101.02442	1.9
113.02430	1.7
116.07159	0.4
119.03484	1.7
119.04996	0.2
125.02440	1.0
126.99564	100.0
127.99904	2.9
135.03033	0.4
135.04605	0.3
143.03510	0.3
145.02927	0.9
151.00328	0.3
151.99075	0.7
161.04561	0.9
169.01401	0.8
179.05583	0.5
208.02831	0.4
263.11386	0.5
275.11273	0.3
403.11624	1.1
409.76334	0.3
429.15527	0.5
472.19934	0.6
473.20233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28218	0.3
52.41777	0.2
57.46020	0.2
59.01379	5.9
60.01704	0.2
61.98832	0.7
67.67519	0.3
68.02535	55.8
69.02854	0.5
71.01379	3.4
72.99329	0.3
73.02946	0.5
75.00874	0.3
83.01403	0.3
85.02962	1.2
87.00863	0.4
89.02444	3.5
91.01944	0.3
95.57782	0.2
99.00882	0.3
101.02442	1.9
113.02430	1.7
116.07159	0.4
119.03484	1.7
119.04996	0.2
125.02440	1.0
126.99564	100.0
127.99904	2.9
135.03033	0.4
135.04605	0.3
143.03510	0.3
145.02927	0.9
151.00328	0.3
151.99075	0.7
161.04561	0.9
169.01401	0.8
179.05583	0.5
208.02831	0.4
263.11386	0.5
275.11273	0.3
403.11624	1.1
409.76334	0.3
429.15527	0.5
472.19934	0.6
473.20233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1587
Annotation	Raloxifene
Peak:m/z	Relative Intensity
55.77817	2.0
56.18161	1.9
59.01369	5.1
61.98824	6.9
67.03022	3.8
68.02543	2.3
71.01402	4.1
71.53525	2.0
71.53972	2.2
72.21326	2.0
74.76486	1.7
83.02530	2.9
85.02960	3.5
92.05054	15.6
94.04117	2.3
95.01425	2.5
96.24310	1.9
96.96027	6.2
101.02465	3.8
102.05603	7.2
102.31186	2.2
106.04121	5.7
108.89049	1.7
109.02957	2.7
109.04076	4.5
111.03147	2.7
120.04549	2.0
123.00833	5.0
125.02444	20.8
126.06745	6.1
128.03555	47.6
135.04607	3.2
135.05663	5.7
136.03992	9.1
137.02470	4.0
139.00415	2.6
146.04622	5.7
147.05656	7.0
148.04091	13.9
149.04622	2.0
152.02377	2.1
153.01891	2.3
163.06244	9.6
166.99887	3.1
167.03452	2.8
169.01424	17.8
177.01936	2.6
177.10341	8.1
187.08731	2.6
189.10373	7.1
211.02490	4.1
221.09326	9.7
222.61310	1.9
224.83455	2.1
233.09299	23.2
246.97464	2.0
271.04587	3.7
275.11584	5.6
300.11020	46.9
301.11511	2.9
308.39914	1.9
321.06308	2.7
343.11118	12.2
360.16852	5.6
374.19815	1.9
385.16187	21.8
386.14935	4.1
404.15735	53.0
405.16107	6.3
411.14066	7.5
429.15387	19.7
454.14886	7.4
472.15900	100.0
473.16998	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	471.369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72972	0.2
57.03431	0.8
59.01379	1.4
61.60054	0.2
67.30207	0.2
69.03431	0.2
69.51001	1.4
70.11348	0.2
71.01354	0.3
71.04957	0.2
74.58691	0.2
88.72019	0.2
89.02453	0.5
91.03992	1.3
147.04187	0.2
198.72609	0.2
307.30035	0.7
333.31595	1.7
335.33163	99.6
336.33496	11.6
353.34244	2.4
371.65726	0.2
379.32141	43.4
380.28003	0.4
380.32559	5.0
397.33182	100.0
398.33511	11.2
471.36868	51.6
472.37250	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	471.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80743	1.9
75.81483	1.8
85.41809	2.1
90.38219	1.8
97.06572	3.7
99.02312	1.8
255.23303	3.1
286.60428	2.6
333.31573	2.2
335.33170	97.6
335.37228	4.7
336.33386	10.4
353.34222	3.3
379.32120	40.5
380.32410	6.2
397.33206	100.0
398.33597	13.6
471.36975	51.1
471.43774	2.0
472.37210	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	471.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34042	2.3
59.01377	2.7
60.33050	2.8
69.50533	19.3
98.20669	5.3
104.96749	2.4
152.99625	3.4
176.26579	2.7
249.97115	2.4
255.93282	2.6
277.21689	100.0
278.22095	9.8
432.86279	2.5
436.83456	2.9
471.34546	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	471.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33602	1.6
71.52698	2.2
111.17578	1.6
115.72931	1.8
118.93906	1.6
119.02798	1.9
182.50537	1.8
335.33176	88.8
336.33481	11.7
353.34567	2.0
379.32166	37.9
380.32611	5.6
397.33194	100.0
398.33490	10.8
464.82388	1.7
471.36884	54.2
472.37802	9.7
481.98404	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	471.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
59.01355	1.9
62.21997	0.6
65.86473	0.5
69.66533	0.5
71.01344	0.6
71.33564	0.5
71.53458	0.6
72.50020	0.5
72.51102	0.5
89.02407	0.7
91.03976	1.3
91.62774	0.5
102.83237	0.5
117.07141	0.5
170.34476	0.5
216.90656	0.6
263.29431	0.5
333.31668	1.9
335.33179	98.4
336.33548	10.8
353.34073	2.5
354.34955	0.5
379.32166	46.1
380.32474	5.9
397.33215	100.0
398.33527	13.0
424.34161	0.5
458.35654	0.7
471.36905	54.3
472.37302	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	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.4
59.01379	100.0
60.01718	0.9
65.00315	0.8
67.15705	0.4
68.07413	0.4
69.03460	0.5
71.01382	3.9
71.55318	0.6
73.02946	1.6
81.03441	0.5
83.01393	1.0
85.02966	1.4
86.52255	0.5
89.02460	1.8
93.07060	0.4
94.34461	0.4
95.01411	0.8
96.07668	0.4
96.95430	0.4
96.96007	2.0
98.95630	0.5
99.38887	0.5
99.99159	0.4
101.02467	2.5
107.01414	1.3
109.02989	0.8
110.88914	0.4
111.00960	0.5
113.02455	2.8
119.03513	0.8
123.00927	1.7
124.01704	0.6
125.02442	8.9
127.51202	0.4
136.21780	0.4
137.02463	1.2
139.04060	0.6
150.74014	0.4
151.00352	3.7
153.01900	2.4
161.04597	0.7
161.13351	3.1
165.01974	1.4
167.03584	0.9
168.00620	0.6
169.01411	3.4
175.00381	3.2
178.99828	3.3
185.13414	0.7
187.11275	5.6
191.03491	2.0
193.01411	20.2
194.01797	1.2
199.30351	0.5
205.12344	8.9
206.12782	0.5
211.02568	1.2
215.03508	1.4
229.12299	2.1
249.11493	1.5
257.04590	1.1
271.04691	1.3
301.03546	3.0
309.13428	4.1
310.13589	0.4
319.04584	4.1
320.04877	0.6
372.57004	0.5
471.18579	13.6
472.19318	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	471.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04822	0.9
57.03432	1.1
59.01378	100.0
61.98821	2.1
71.01385	2.3
71.55013	1.0
71.94461	0.9
72.99292	1.3
73.02934	1.5
81.63194	0.9
83.01342	1.4
85.02954	2.3
85.38976	0.9
94.39029	0.9
96.95992	2.6
101.02448	3.8
106.62579	0.9
110.01392	1.0
113.02451	3.5
125.02403	2.9
130.08684	1.9
167.03444	1.1
169.01393	2.2
170.07545	0.9
193.01408	1.1
471.27371	1.2
471.34262	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	471.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19691	0.4
55.01883	0.6
57.03448	0.9
58.00593	0.7
59.01378	100.0
60.01714	1.2
60.59847	0.4
61.98820	1.2
71.01382	8.6
72.99315	1.3
73.02958	1.9
75.00878	1.4
76.27793	0.4
81.03469	0.4
81.47770	0.4
83.01396	0.9
83.05046	0.7
85.02942	3.7
87.00889	1.4
87.94257	0.4
89.02446	6.6
93.03456	1.1
95.01414	1.5
95.05039	1.1
96.96017	1.1
97.02954	0.5
99.00905	0.6
99.04541	0.6
101.02457	4.5
107.01376	1.1
107.05064	0.7
109.02946	1.0
113.02448	7.4
117.03496	0.5
119.03533	3.1
119.05030	1.9
120.05827	0.9
123.00878	1.0
125.02454	6.9
135.02985	0.9
135.04555	0.7
137.02458	1.8
139.03999	0.5
143.03485	1.0
145.02943	2.1
148.09027	0.5
151.00394	1.3
157.06598	0.7
157.10220	0.6
159.08185	2.0
159.11821	1.6
161.04587	1.3
161.13374	11.2
162.13712	0.9
163.04027	2.0
167.03525	1.0
168.00688	0.7
169.01427	7.3
169.10199	0.6
171.08075	0.5
172.08890	0.7
173.97961	0.5
175.00412	0.6
179.05644	1.4
181.10478	0.5
185.09787	0.7
185.13402	1.1
187.11278	24.1
188.11610	1.2
190.02582	0.5
193.01450	1.6
203.14423	1.1
205.12328	43.8
206.12740	2.6
211.13356	0.5
223.13437	1.3
229.12312	5.9
247.13472	1.7
249.11269	7.7
250.11842	0.5
259.13486	0.9
265.14380	1.4
267.12326	0.7
277.14542	0.7
283.13474	0.8
291.12381	0.8
307.08221	0.9
309.13422	16.3
309.16965	0.9
310.13852	1.5
311.41873	0.5
319.04703	0.9
407.01834	0.4
411.16504	1.1
471.09375	3.8
471.17899	6.2
471.23721	0.8
472.19174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09906	0.4
55.50380	0.5
56.89282	0.4
57.03448	1.0
59.01380	100.0
60.01725	0.7
69.93919	0.8
69.94323	1.5
70.45082	0.5
71.01380	3.4
73.02959	1.1
83.01392	0.9
83.05050	0.5
85.02950	1.2
86.19399	0.5
89.02469	1.9
96.96037	1.2
98.19949	0.7
98.95601	0.7
101.02446	2.5
107.01400	0.9
113.02438	2.4
119.03512	1.0
121.03015	0.5
123.00891	1.7
125.01543	0.7
125.02442	7.2
132.12117	0.5
137.02422	1.1
139.03996	0.6
147.00922	0.5
149.04651	0.5
149.17122	0.5
151.00360	3.0
153.01964	1.7
161.04515	0.6
161.13338	3.3
167.03577	0.6
169.01442	2.6
175.00372	3.0
178.99812	2.5
179.05678	0.5
185.13239	0.7
187.11281	6.2
191.03592	1.6
193.01410	16.5
194.01883	0.8
205.12328	8.4
215.03529	0.7
229.12442	1.6
247.13327	0.8
249.11299	1.4
257.04498	0.7
271.04718	0.6
301.03665	2.2
309.13467	2.8
319.04648	4.0
323.43182	0.5
471.18497	9.8
472.19449	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38543	0.5
56.80259	0.4
56.85424	0.5
57.03438	1.0
59.01379	100.0
60.01698	0.7
61.98837	1.3
69.03473	0.7
71.01383	10.5
71.55750	0.9
71.56129	0.6
72.99313	1.4
73.02960	1.8
75.00869	1.3
83.01398	1.0
83.05040	0.9
85.02952	3.4
87.00879	1.2
89.02446	8.7
93.03479	2.1
95.01412	1.5
95.05040	0.9
96.96035	2.0
97.02942	0.7
98.95568	0.5
99.00883	1.1
99.04491	0.6
101.02455	4.8
107.01402	1.3
107.05016	0.6
109.02976	0.7
111.00912	0.5
113.02445	7.3
117.03493	0.6
119.03539	3.0
119.04991	3.0
120.05814	1.0
123.00861	1.1
123.04488	0.4
124.01672	0.6
125.02454	9.5
133.06631	0.6
135.03029	0.9
135.04477	1.0
135.08226	0.6
137.02448	3.9
139.00464	0.6
143.03519	0.8
145.02937	2.2
147.11868	0.6
149.02495	0.6
150.06917	0.9
151.00403	2.4
155.03479	0.7
157.06575	0.8
159.08167	1.8
159.11819	1.1
161.04565	1.9
161.13347	11.4
161.18765	0.5
162.13763	1.0
163.04033	1.6
167.03505	0.7
168.00845	0.5
169.01408	10.2
169.02791	0.6
169.10278	0.6
172.08897	1.0
175.11496	0.4
177.01883	0.7
179.05658	1.1
185.09750	1.0
185.13307	1.1
187.11278	22.8
188.11656	1.3
190.02756	1.0
193.01482	1.7
203.14343	1.0
205.05017	1.0
205.12320	43.0
206.12680	2.9
221.06735	1.0
223.13458	1.1
229.12308	5.4
232.41246	0.5
247.13403	2.0
249.11287	6.1
249.15190	0.7
259.13483	0.6
265.14413	1.7
267.12506	0.5
271.06183	1.3
291.12485	1.4
307.08130	0.6
309.13428	15.9
310.13748	1.2
319.04785	1.0
325.05640	1.0
411.16644	0.8
471.09421	6.6
471.18961	7.6
472.09555	1.0
472.19647	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03242	0.5
57.03449	4.9
59.01379	48.3
59.99535	0.5
63.02386	1.2
65.00328	2.4
69.03441	0.6
69.24520	3.8
69.24945	1.6
71.01373	4.0
72.99270	0.5
73.74223	0.6
77.31308	0.5
78.33617	0.5
81.03467	1.3
83.01379	3.3
83.05006	0.6
85.02936	1.4
89.02448	3.3
93.03448	0.8
95.01385	1.5
95.05736	0.5
96.96007	1.0
101.02473	2.7
107.01382	3.9
107.04994	1.0
109.02947	2.8
111.00914	0.6
113.02451	3.5
119.03487	1.5
119.05038	3.2
121.02939	1.1
123.00858	1.8
124.01682	1.0
124.85192	0.5
125.02451	32.0
126.02778	1.6
135.04486	0.9
137.02473	4.0
139.04053	2.9
145.02931	2.3
147.00923	2.9
151.00371	15.3
152.01193	3.0
153.01938	11.1
154.02318	0.7
155.03450	0.5
159.04559	0.6
159.08096	1.0
161.04495	1.0
161.05864	0.6
161.13358	7.3
162.13698	0.7
163.03983	2.5
165.01941	5.8
167.03494	3.5
169.01369	1.2
172.09013	0.8
172.42986	0.5
175.00357	17.0
176.00865	1.1
178.99864	15.6
179.05568	0.6
181.01421	1.9
185.02425	0.9
185.06161	0.7
187.03923	1.2
187.11284	14.1
188.11604	1.0
189.09105	0.5
190.02689	0.6
191.03513	8.6
193.01413	100.0
194.01781	4.6
201.05545	0.7
203.14185	0.6
205.05009	1.4
205.12329	27.0
206.12639	2.3
215.03503	5.7
223.13400	0.9
229.12369	2.6
231.02785	0.6
233.04546	1.7
239.03488	0.8
247.13402	0.9
249.11317	4.9
257.04535	5.5
259.13092	0.6
273.07513	0.8
283.02386	0.8
291.05075	0.9
291.12305	0.7
301.03522	18.2
302.03940	1.8
307.07993	0.9
309.13516	8.9
312.26065	0.6
319.04568	25.3
320.04932	2.6
471.17926	2.8
475.43008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.4
59.01385	3.7
61.98831	2.7
66.30911	0.6
67.01896	1.5
69.03471	2.5
69.41602	2.8
69.42043	2.4
71.01383	3.0
72.99294	1.3
73.02962	1.0
75.00868	1.0
77.14629	0.7
79.01962	0.8
81.03442	1.1
83.01389	2.7
85.02962	3.1
87.00893	1.3
89.02451	0.8
95.01382	3.6
96.96030	5.8
97.02964	2.2
99.00858	1.0
101.02438	1.7
107.01388	13.0
109.02969	2.4
111.00820	1.5
113.02452	1.8
119.05025	2.1
121.02949	1.1
123.00861	3.4
124.01680	1.4
125.02450	94.2
126.02782	3.1
134.03729	0.8
137.02443	12.8
138.01979	3.2
139.00345	2.0
139.02339	1.5
139.03995	1.2
140.01152	1.3
141.01971	0.7
145.02919	1.1
147.04543	2.6
148.01660	0.8
149.02449	3.0
151.00385	1.5
157.06570	1.4
159.04500	1.2
161.02379	1.0
161.06076	1.4
163.04071	1.8
165.01952	1.0
166.99876	0.7
167.03487	2.0
167.04948	0.9
168.00645	1.8
169.01427	100.0
170.01785	4.5
171.04526	1.1
177.01871	2.6
185.06050	3.1
187.03984	1.9
205.04970	0.9
211.02377	1.2
213.05571	0.8
214.02713	1.2
215.03351	1.2
217.04887	0.7
229.05048	6.0
231.06570	1.3
243.02946	1.0
245.04507	1.1
248.93143	0.9
257.04520	9.2
271.04651	1.6
275.05640	13.9
276.05853	1.0
283.02499	0.7
289.03775	0.7
313.05621	2.1
314.06036	1.1
319.04501	1.7
427.06757	10.4
428.07065	1.0
470.19449	1.0
471.05356	6.8
471.15359	9.2
471.34628	1.1
472.06189	1.0
472.14233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42264	0.7
57.03444	4.8
59.01379	57.1
59.11255	0.7
62.03236	0.6
63.02396	1.6
64.15196	0.7
65.00322	2.1
68.99812	1.0
69.26293	6.2
71.01381	5.6
72.99285	0.7
73.02937	3.6
83.01385	4.8
85.02937	3.2
89.02434	2.9
95.01385	1.9
96.79465	0.8
96.96020	4.9
98.95551	0.8
99.00858	0.8
99.04513	1.9
101.02421	3.7
107.01405	6.0
107.05054	1.2
109.02936	3.7
111.00871	1.2
113.02483	4.0
117.03445	2.3
119.03544	0.9
119.05022	9.1
121.02986	1.5
123.00864	4.5
124.01637	1.2
125.02451	42.5
126.02775	1.2
135.00850	1.2
135.04472	1.4
137.02451	3.9
139.00380	2.3
139.03990	3.9
140.01169	0.7
145.02945	7.1
147.00845	2.9
149.02434	0.8
151.00360	18.0
152.01108	3.0
153.01953	9.8
161.04460	1.0
161.13388	4.2
163.04016	9.0
165.01945	6.6
166.02716	0.7
167.03470	4.4
168.00615	1.3
169.01411	12.0
173.04498	0.8
175.00349	17.4
176.00623	1.1
178.98427	1.3
178.99861	16.8
181.01358	1.4
185.02454	1.1
187.03969	1.6
187.11305	5.5
190.02783	0.9
191.03514	9.4
193.01413	100.0
194.01787	4.1
205.05086	1.6
205.12323	13.3
206.12544	0.8
215.03499	6.2
229.05219	1.0
229.12337	1.3
233.04555	1.4
239.03352	0.8
249.11301	4.0
257.04480	5.6
267.07019	0.8
290.80646	0.8
291.05185	0.7
301.03531	17.2
302.03967	1.7
307.08093	3.5
309.08090	0.9
309.13419	4.6
310.14120	0.9
319.04568	22.5
320.04950	1.8
361.25723	0.8
391.27307	1.3
448.90115	0.8
471.12155	1.1
471.18286	22.3
472.18829	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	471.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77937	0.4
54.09590	0.3
57.03453	4.2
59.01379	22.4
63.02369	1.1
65.00321	1.7
71.01373	2.2
73.02958	0.3
77.66463	0.3
81.03455	0.4
83.01389	3.5
85.02953	1.0
89.02444	1.1
93.03455	0.4
95.01407	0.9
96.75361	0.4
96.96017	1.0
98.20625	1.1
99.00905	0.4
101.02418	1.1
107.01393	3.8
109.02954	2.4
111.04511	0.4
113.02431	1.4
118.36636	0.3
119.01364	0.4
119.03503	0.9
119.05010	0.4
121.02977	1.1
123.00881	1.5
123.04513	0.6
124.01659	1.4
125.02446	31.4
126.02778	1.1
137.02457	4.6
138.51265	0.4
139.04002	3.5
147.00870	3.3
151.00360	14.2
151.04004	0.6
152.01118	2.6
153.01930	10.9
155.03479	0.7
157.06541	0.4
159.04539	0.8
161.13338	1.8
163.04005	0.5
165.01927	6.4
166.02635	1.0
167.03470	3.7
169.01422	1.2
175.00365	16.2
176.00980	1.1
178.99849	15.8
180.00246	0.6
181.01360	1.9
185.02432	1.0
187.03947	1.0
187.11284	5.0
190.02748	0.7
191.03497	10.3
193.01404	100.0
194.01733	4.8
205.05045	0.7
205.12340	7.2
213.05647	0.6
215.03477	6.6
229.04955	1.2
229.12350	1.3
233.04582	1.8
239.03520	0.8
247.13333	0.7
249.11314	1.1
257.04523	5.0
275.05530	0.6
283.02386	0.7
291.05081	0.4
301.03506	15.3
302.03845	1.6
309.13422	3.3
319.04556	22.3
320.04938	1.8
345.02258	0.6
471.18317	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	469.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41702	3.7
55.55526	3.8
56.33833	4.3
57.03441	7.4
59.01380	21.8
67.45838	3.9
68.99792	8.3
71.01390	38.6
71.51104	4.8
71.51457	6.2
72.99302	17.0
73.02950	3.7
75.00871	8.0
83.01379	19.5
85.01010	7.9
85.02931	7.9
87.00870	5.8
88.98834	4.6
89.02441	9.3
99.00871	40.4
101.02437	6.9
103.00369	4.6
111.00874	40.9
112.98806	89.3
114.98450	4.7
115.00344	13.6
115.01987	3.9
117.01921	7.3
129.01936	18.0
129.03685	5.1
138.98933	4.0
142.99864	22.2
145.01431	76.2
157.01392	4.5
171.01059	13.0
173.00905	25.9
187.02429	5.5
204.09750	3.9
205.03441	6.7
231.03069	8.6
261.53931	5.5
263.05789	55.4
341.10886	9.8
352.52206	4.7
451.08713	5.1
469.10007	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	469.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01386	6.8
61.98827	6.5
69.03450	2.8
69.24858	10.1
71.01376	6.9
72.99306	1.3
73.02960	1.8
74.86819	1.0
75.00874	7.2
78.51497	1.1
83.01379	1.4
85.02950	5.8
87.00875	10.9
89.02486	1.7
93.98465	1.0
96.96021	3.7
97.02929	1.2
99.00880	3.0
101.02439	3.9
105.01937	13.1
107.01396	10.5
107.12067	1.0
109.02946	1.4
113.02423	5.3
117.01954	1.5
123.00891	3.1
124.01707	1.4
125.02444	72.7
126.02785	3.2
132.87473	1.0
137.02461	1.4
139.00342	3.5
140.01195	5.0
147.02994	3.7
151.00380	2.9
153.09309	1.0
155.03525	2.5
165.04037	85.1
166.04369	2.6
167.03426	1.2
168.00584	1.5
168.07642	1.0
169.01419	100.0
170.01801	5.2
177.01953	2.2
177.09259	1.1
191.58067	1.0
192.24760	1.2
195.06558	1.7
211.02426	2.9
212.02811	1.5
219.12352	1.5
255.05269	4.7
271.04697	3.1
272.04950	1.3
297.56796	1.1
299.04053	8.6
313.05664	1.6
317.05127	44.4
317.08478	1.5
318.05490	2.8
389.10748	1.1
433.13477	14.5
434.14087	1.3
469.08792	7.2
469.18939	18.0
470.19534	1.3
479.99112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01381	13.1
60.01715	2.0
61.01811	2.2
61.98830	100.0
67.24048	0.8
71.01388	2.4
80.81318	0.7
85.02931	1.0
89.02457	0.8
95.01422	0.9
96.96017	1.4
101.02473	2.0
107.01391	2.1
108.02214	2.3
109.02989	4.0
110.03318	1.7
111.00871	0.9
113.02451	1.3
119.03471	0.9
123.00858	3.5
123.04560	1.7
124.04900	1.2
125.02434	17.1
126.02794	2.9
137.02475	1.3
139.00398	2.7
140.01176	9.0
151.00403	2.7
152.01074	2.5
153.01955	4.0
153.05579	2.1
154.02290	1.3
154.05942	1.6
155.03470	6.1
165.01904	6.3
168.00676	2.0
169.01419	19.7
170.01772	4.1
177.01976	1.4
179.03470	1.3
180.04231	4.0
183.02966	0.8
195.06641	7.4
197.51721	0.7
211.02454	1.0
225.07784	2.6
243.94397	0.7
271.04794	2.1
313.05676	3.9
314.06030	2.1
315.07037	1.2
316.07538	2.5
317.08624	1.4
376.64081	0.9
405.13040	3.1
424.09854	2.5
468.08621	10.1
468.13107	5.7
469.09500	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	468.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
59.01378	11.6
61.98829	4.0
68.99815	1.1
69.03437	1.2
71.01380	21.4
71.05019	10.3
71.55254	1.2
72.99311	2.8
73.02962	2.1
75.00871	9.7
76.71303	0.6
83.01402	0.8
85.02945	10.5
87.00904	3.2
88.04038	26.6
89.02439	2.4
89.04411	0.7
95.01387	3.2
96.96016	1.2
99.00887	5.3
99.04524	3.0
101.02456	2.0
103.00380	1.1
107.01399	2.2
108.02194	1.4
109.02949	3.0
111.00904	1.0
113.02445	13.0
115.00370	1.2
116.07185	1.9
117.01948	1.4
123.00896	1.7
125.02445	9.2
126.02795	1.9
129.01913	1.2
129.05656	0.7
137.02487	1.0
139.00388	1.8
140.01096	1.1
146.08224	26.4
147.08531	1.0
151.00351	2.0
152.01115	1.6
153.01840	1.9
154.02290	1.3
154.05038	1.2
157.01392	0.6
161.04575	1.3
165.04044	2.9
167.03499	1.0
168.00629	0.9
169.01399	9.8
170.01744	3.6
175.02455	1.7
177.01952	0.8
211.02522	1.1
212.02699	0.9
218.10327	7.3
220.47591	0.7
231.05156	1.3
249.06155	19.2
249.08751	1.0
250.06531	1.0
267.07208	5.1
268.07675	0.7
271.04581	1.0
277.35556	0.7
305.06650	1.1
313.05576	1.1
315.07245	1.4
316.07452	3.6
317.04797	1.0
321.08133	3.4
369.10919	0.7
405.10291	1.4
424.09515	1.8
450.16333	1.8
468.09012	11.5
468.17230	100.0
469.09354	3.0
469.17654	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	468.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	0.7
59.01379	6.8
60.07605	0.4
61.98830	100.0
63.02406	0.4
65.00319	0.6
69.03468	0.4
70.87655	0.4
71.01381	1.7
73.02950	0.5
74.65921	0.4
75.00863	0.4
81.03447	1.1
83.01389	1.2
85.02961	1.3
87.00918	0.7
89.02467	0.7
91.76436	0.4
96.96030	1.7
97.02982	0.4
98.20602	0.8
101.02467	0.4
107.01414	1.6
109.02966	0.7
113.02467	1.2
123.00902	0.5
123.04518	0.7
125.02455	4.3
132.03085	0.4
133.06625	0.4
137.02460	2.0
137.09741	1.7
139.00331	0.4
146.36717	0.4
147.03064	0.4
147.08194	0.8
149.02461	0.6
151.00366	4.5
153.02037	0.6
165.56805	0.4
167.03525	1.4
169.01427	2.3
177.01964	0.6
177.26578	0.3
178.99788	2.2
187.11348	1.6
199.07683	1.6
199.82753	0.3
203.14388	3.1
205.12373	0.4
207.06667	0.5
225.05579	0.5
229.12373	1.2
243.06615	15.5
244.06966	1.0
247.13383	6.6
271.13513	1.3
279.08392	0.4
281.08759	0.8
317.03098	8.4
317.06732	1.7
405.12033	2.3
438.54031	0.4
439.47067	0.5
468.26364	0.7
468.69482	0.6
469.17111	0.4
469.21088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04367	12.4
59.01369	40.8
61.58997	13.0
61.98817	20.1
71.55929	20.7
72.99301	18.7
75.00883	45.7
78.03587	11.3
78.95897	45.0
100.04044	17.3
103.93324	11.8
123.04525	16.7
125.92870	12.9
135.03020	100.0
167.03406	13.9
169.01447	24.0
173.87473	15.7
174.01683	57.4
241.01157	12.6
277.21616	32.1
293.21048	22.3
305.21265	55.7
331.19177	81.7
333.20505	18.9
345.20679	44.1
349.20334	17.8
371.18655	53.8
401.19556	16.7
413.19598	26.2
431.20740	16.9
449.21835	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	467.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20053	0.8
53.76435	0.8
55.01870	1.8
57.03448	4.7
58.34783	0.9
59.01099	1.6
59.01380	21.0
61.98823	5.5
67.01913	0.7
69.03455	2.1
69.87903	2.0
69.88293	2.4
71.01380	22.8
72.54124	0.9
72.99316	3.7
73.02959	4.9
75.00871	25.5
79.95723	2.4
83.01394	3.2
85.02953	27.3
86.03226	0.9
87.00881	8.0
87.77066	0.8
89.02456	3.3
95.01392	2.0
96.96013	23.2
97.02930	1.7
99.00884	9.3
101.02444	8.3
104.01762	0.7
107.01412	1.0
109.02952	1.3
112.01665	0.9
113.02452	27.7
113.03255	1.5
115.00384	2.8
122.04575	0.9
125.02443	12.0
125.09714	0.8
129.01910	1.0
131.05055	1.1
137.02449	2.6
138.01961	2.3
142.17764	0.9
157.01456	1.3
161.04533	1.1
165.01855	1.0
167.03481	2.1
169.01442	11.2
175.02417	4.2
177.01999	2.9
225.15010	3.3
227.03450	1.3
253.09973	0.8
284.03207	1.1
285.04034	3.6
291.18201	3.7
301.07233	1.4
305.07101	2.0
305.10693	6.2
361.33286	1.0
387.23904	3.9
431.09897	3.4
467.21307	100.0
468.21631	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	467.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
59.01381	6.8
61.98819	2.4
65.00332	1.1
67.01885	1.1
69.03444	1.3
70.66599	2.5
71.01382	6.7
72.99300	1.6
73.02928	0.9
73.18665	0.9
75.00871	3.9
79.01906	1.0
81.03490	1.1
83.01398	2.1
85.02943	3.9
87.00883	1.4
89.02444	1.4
95.01376	2.3
95.97694	0.8
96.95991	1.0
97.02942	1.7
99.00889	3.1
101.02430	2.2
107.01394	5.7
109.02943	0.9
110.00026	0.9
111.00907	6.5
113.02441	2.2
123.00883	11.1
124.01698	1.0
125.02450	36.6
127.00259	0.9
129.01936	4.7
131.74197	0.8
136.98807	2.1
137.02412	1.1
139.00386	6.7
140.01192	5.2
141.01933	1.7
151.00363	8.3
154.09753	0.9
165.01929	2.3
168.00655	7.1
169.01430	53.2
170.01762	1.4
177.01872	1.0
177.04059	7.7
179.03404	1.0
188.52309	0.8
209.00922	1.2
211.02478	1.8
313.05664	4.0
329.05173	10.3
330.05548	1.0
467.19229	100.0
468.19589	15.0
469.62317	0.9
473.34271	1.0
493.35556	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36875	1.1
51.38034	1.1
55.01828	1.3
57.03443	4.0
57.15294	1.2
59.01380	21.1
61.98828	12.2
67.01881	1.6
69.03091	1.2
69.03448	2.7
71.01383	21.5
71.31291	1.4
71.31618	1.5
72.99304	3.8
73.02943	12.4
74.82128	1.1
75.00871	11.8
78.14593	1.2
79.01894	2.1
81.03461	3.0
83.01374	5.1
83.05019	1.6
85.02949	17.7
87.00887	3.8
89.02443	5.3
93.03456	1.5
95.01371	8.8
96.99265	1.4
97.02946	3.0
97.06587	2.2
99.00882	5.2
101.02440	2.5
103.03996	1.8
107.01385	14.0
107.04980	1.4
108.02185	11.5
109.02959	11.0
109.88406	1.2
111.00880	3.7
111.04584	1.4
113.02444	14.2
123.00878	16.7
123.04502	4.4
124.01702	2.9
125.02443	90.0
125.09709	3.1
126.02750	3.9
127.00382	2.1
127.04008	2.5
127.07630	4.3
129.01860	1.6
135.04489	2.3
136.98837	1.4
137.02434	9.6
137.09749	1.5
138.03201	2.0
139.00369	6.0
139.04002	7.2
140.01149	3.9
141.01903	1.2
151.00345	11.5
151.04056	1.9
152.01144	14.3
153.01952	6.3
153.05571	9.0
155.03514	1.6
161.02466	2.2
164.01100	2.5
165.01945	7.3
167.03467	6.0
168.00621	8.6
169.01421	100.0
170.01736	5.1
173.04518	1.7
173.11812	2.8
175.03886	1.4
177.01917	1.9
179.03432	6.3
183.02989	2.6
193.01384	2.5
204.04266	1.5
211.02472	11.6
217.10803	3.3
218.00311	1.2
219.06616	2.9
221.04546	2.9
231.05220	1.5
249.06099	10.6
261.07553	2.6
267.07141	4.7
297.05835	1.2
305.06631	35.3
306.06943	2.2
313.05640	11.3
315.07220	50.4
316.07443	3.4
357.17419	1.2
362.21442	1.2
423.09045	7.3
424.09570	1.4
467.08267	94.8
467.17749	78.1
468.07578	8.7
468.18024	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	467.1191
Annotation	Catechin-4-ol 3-O-beta-D-glycopyranoside
Peak:m/z	Relative Intensity
57.03442	4.2
59.01385	5.9
61.98830	2.8
69.03450	2.4
71.01372	6.7
73.02950	3.1
74.86282	1.0
75.00863	2.9
79.01917	1.4
81.03471	2.7
83.01391	4.4
83.04984	1.2
85.02934	7.0
87.00884	1.9
89.02422	1.9
93.03454	2.1
95.01389	3.3
95.05031	1.7
97.02928	5.6
99.00868	1.7
99.04553	1.6
99.97834	1.0
101.02422	1.7
107.01402	11.6
108.02194	11.9
109.02964	16.9
111.00873	2.5
111.04504	4.4
113.02456	5.0
121.02963	2.4
123.00887	15.0
123.04528	3.0
124.01695	5.0
125.02446	100.0
126.02776	3.6
127.00362	1.3
127.04004	1.8
135.04536	1.4
137.02438	21.5
138.03143	2.0
139.00398	5.1
139.04012	11.8
140.01160	3.7
141.01942	2.9
143.96320	1.1
146.20001	1.0
147.00945	1.3
149.02362	1.4
151.00372	8.0
151.04007	3.4
152.01151	16.3
153.01979	6.0
153.05563	7.7
155.03514	1.4
159.04539	1.3
161.02422	2.6
164.01138	3.8
165.01904	13.8
166.02646	2.7
167.03485	15.8
168.00652	5.1
169.01416	70.5
170.01743	2.8
173.04546	2.1
175.03926	1.8
176.04810	1.3
177.01901	2.7
177.05606	2.7
179.02042	1.9
179.03490	14.4
191.07132	2.6
193.98543	2.0
201.05611	1.5
201.13342	1.0
203.03497	2.8
204.04219	2.7
211.02448	11.0
219.06584	8.7
221.04523	5.0
249.06012	2.5
261.07681	3.6
271.04517	2.9
287.05618	1.3
297.06088	2.3
305.06662	85.4
306.07004	6.0
313.05655	9.7
315.07217	33.1
316.07562	2.3
325.05624	2.7
377.12659	1.0
423.09369	9.9
454.58240	1.1
467.08316	66.4
467.17950	12.9
468.07770	9.7
468.18063	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1192
Annotation	Catechin-4-ol 3-O-beta-D-glycopyranoside
Peak:m/z	Relative Intensity
50.43575	1.0
51.25464	0.7
57.03452	5.4
59.01377	2.0
61.98833	3.2
67.01923	0.9
68.06670	0.9
70.12477	3.8
71.01382	1.9
75.00874	1.0
81.03456	2.6
83.01379	3.6
85.02931	2.2
87.00864	1.6
88.04027	1.0
89.02432	1.3
93.03461	1.9
95.01379	1.8
95.05041	1.8
97.02946	2.1
98.38110	0.8
99.00860	1.2
99.04507	1.2
107.01380	2.4
107.05009	1.2
108.02157	2.9
109.02956	13.5
110.02462	1.5
111.00807	0.9
111.04507	2.7
113.02460	1.6
121.02950	2.8
123.00889	10.0
124.01671	4.3
125.02448	89.1
126.02789	3.5
131.21068	1.0
135.04517	1.8
137.02448	22.6
138.03214	3.8
139.04012	17.3
146.08241	1.3
147.04562	1.0
149.02434	2.2
149.06073	1.4
151.00366	3.6
151.04022	2.5
152.01157	2.9
153.01929	4.3
153.05606	1.4
159.04495	0.9
159.77367	0.9
161.02431	5.2
163.04030	1.1
164.01102	6.6
165.01917	19.6
165.63397	0.8
166.02470	1.2
167.03497	25.2
168.00639	1.4
169.01419	16.1
170.01816	1.1
173.06007	1.3
175.03990	2.5
176.04619	1.2
177.01923	2.8
177.05518	4.9
178.02666	1.3
179.03490	16.8
191.03485	1.2
191.07133	2.7
201.05562	2.5
203.03487	3.6
204.04245	3.5
205.26132	0.9
211.02493	1.4
215.06987	1.0
215.42538	0.9
218.05785	1.7
219.06612	14.0
221.04552	7.0
237.07628	1.3
243.06570	1.8
246.77213	0.8
249.05995	1.4
261.07675	9.1
262.08002	0.9
287.05450	2.1
297.06354	0.8
305.06647	100.0
306.07007	7.3
313.05817	2.6
315.07248	7.8
329.08780	2.7
405.10229	5.7
423.08679	1.8
467.06958	5.2
467.12869	40.1
468.12436	4.3
468.17407	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	467.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41851	1.5
59.01377	7.9
61.98824	5.0
71.01399	9.4
71.18298	3.1
74.91216	1.4
75.00889	3.1
79.95738	1.6
83.01379	2.9
85.02959	3.1
89.02450	3.1
95.01385	3.4
96.96010	4.5
97.02937	2.4
101.02452	5.2
107.01389	14.5
108.02184	16.1
109.02976	14.4
111.00907	3.8
113.02459	5.6
123.00878	17.4
123.04526	53.7
124.01727	2.6
124.04911	1.9
125.02446	69.7
126.02820	1.8
133.80905	1.5
135.00941	1.5
135.04506	3.7
136.98749	2.5
138.01970	10.6
138.02969	1.6
139.00377	6.3
139.03987	1.8
140.01163	4.1
141.01933	1.5
151.00356	15.0
151.04015	1.7
152.01144	21.7
153.01958	11.3
153.05568	61.4
154.05814	1.6
165.01904	1.5
168.00592	7.4
169.01425	100.0
169.05113	2.9
170.01768	3.5
174.46143	1.6
193.98482	2.8
211.02490	4.3
313.05606	48.3
314.06006	4.5
314.29626	1.6
315.07159	15.3
315.10904	5.1
404.12820	4.2
423.09167	19.0
432.11624	2.0
449.07059	2.1
467.07553	21.7
467.12997	90.9
468.13354	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	467.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.3
60.54161	1.3
61.98831	7.7
69.03458	1.8
71.01383	10.4
71.10568	2.5
79.01882	2.0
85.02951	3.9
89.02454	4.5
94.91594	1.4
95.01418	2.8
96.96006	8.7
97.02939	2.6
101.02429	4.3
107.01390	15.8
108.02160	17.6
109.02960	15.0
111.00883	4.6
113.02437	4.2
113.51017	2.0
123.00891	18.6
123.04525	49.9
124.01674	3.3
124.04810	2.6
125.02444	73.1
126.02711	1.9
127.00361	1.9
135.04504	4.7
136.98764	3.6
137.02431	3.1
138.01981	13.7
138.05598	1.4
139.00368	6.7
139.03964	2.0
140.01158	3.2
141.01816	2.0
151.00330	14.2
152.01164	23.1
153.01944	13.0
153.05571	55.7
154.05876	2.4
165.01852	1.9
167.03578	1.9
168.00671	7.8
169.01416	89.9
170.01775	4.1
193.01479	2.3
193.98593	2.4
201.21550	2.0
211.02481	5.5
271.04535	3.0
297.06152	2.1
313.05652	35.9
313.09256	2.3
314.05890	4.2
315.07153	15.2
315.10825	4.6
316.07498	2.3
368.27597	1.6
404.12845	4.5
423.09021	15.8
424.09567	3.1
432.11566	2.5
449.07281	2.5
467.07666	22.6
467.12900	100.0
468.07428	3.1
468.12112	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	467.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83128	1.9
59.01373	6.2
61.98805	5.5
68.99805	4.4
71.01380	15.7
71.54174	3.2
72.99279	4.5
74.02930	2.4
75.00861	26.0
75.02576	21.5
82.22370	2.3
83.01339	6.8
85.02924	5.6
87.00848	4.3
89.04134	4.1
96.96891	2.1
99.00876	37.5
100.98759	5.1
102.99837	2.2
103.00369	28.2
107.01352	4.4
108.02115	6.4
109.02936	11.2
111.00821	5.7
112.98819	17.0
115.00350	5.3
117.01910	3.1
123.00810	5.5
125.02451	35.8
126.02744	3.0
128.98271	5.4
129.01912	6.2
129.03616	4.5
137.02406	2.6
142.99832	2.4
145.01404	12.4
152.01163	5.4
153.01839	7.8
157.01350	7.7
157.03038	9.2
165.01801	3.3
167.03348	2.9
168.00433	2.3
169.00221	2.8
169.01404	34.4
171.04640	3.3
185.00821	7.6
185.02487	3.7
186.44582	3.2
191.05504	2.5
201.00604	2.3
201.02090	24.8
211.02376	3.8
219.06551	2.9
229.01622	13.3
260.04370	2.5
261.04202	100.0
262.04639	4.2
296.96603	2.4
305.06665	13.3
309.99237	2.1
313.05392	3.0
315.07178	26.5
316.41019	2.3
423.09131	4.3
438.51471	2.9
455.87042	2.3
467.08054	83.4
468.08298	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	467.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	10.2
61.98840	8.0
69.03455	1.8
71.01371	10.5
71.55585	2.2
72.99242	1.3
73.02915	1.4
75.00862	2.3
77.51627	1.1
79.01904	2.4
81.03465	2.4
83.01383	3.1
83.88590	1.2
85.02939	5.9
87.00862	2.4
89.02431	3.7
95.01385	2.9
95.60358	1.1
96.95985	3.1
97.02927	2.6
101.02456	5.6
107.01385	15.0
108.02175	28.7
109.02955	16.5
111.00858	4.2
113.02447	6.9
119.03510	1.7
121.02925	2.2
123.00888	21.1
123.04513	11.6
124.01637	2.1
125.02448	79.1
126.02750	3.4
127.00302	1.5
128.34409	1.3
135.04536	2.6
137.02420	4.6
138.03192	3.4
139.00371	7.2
139.03960	3.5
140.01125	5.0
141.02003	2.3
149.02390	2.1
151.00369	14.6
151.03923	2.2
152.01149	39.8
153.01941	17.8
153.05563	21.6
154.14958	1.3
161.02568	1.7
163.03999	1.4
165.01912	2.7
167.03432	3.0
168.00644	7.1
169.01419	100.0
170.01712	3.9
177.01904	3.2
179.03514	2.7
183.02954	1.7
193.01465	1.5
193.98528	6.2
194.99232	1.5
211.02541	8.5
241.03645	1.6
271.04538	9.7
297.06003	1.8
305.06598	8.7
313.02197	2.3
313.05630	28.7
315.07193	27.9
316.02374	1.4
331.06705	2.5
367.37949	1.3
423.09283	25.7
424.09802	1.6
449.06992	3.3
467.08179	90.1
467.12540	29.2
468.08447	10.1
468.12323	4.5
478.91299	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.9
61.98829	100.0
63.96242	0.9
70.77103	0.9
71.01401	1.7
71.52373	1.1
73.31559	0.9
78.95867	1.0
85.02933	1.4
96.96026	2.0
107.01413	1.1
111.00872	1.2
118.05221	1.1
123.00906	2.4
125.02466	4.9
139.00395	1.7
151.00333	1.5
151.04022	1.0
152.00993	0.8
168.00670	1.4
169.01434	5.1
186.21268	0.9
254.30280	0.9
257.17566	1.1
308.07678	1.0
317.02829	1.3
466.17795	4.2
467.18729	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	467.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97120	1.3
57.03443	2.1
59.01376	8.2
61.98829	11.6
65.00342	1.8
68.99812	2.0
69.03454	1.9
70.19211	5.4
71.01373	7.1
73.02954	2.0
79.01896	1.2
83.01377	8.1
85.02963	3.4
87.00874	2.0
89.02441	2.6
95.01362	2.5
96.95998	4.6
97.02944	1.7
101.02448	4.5
107.01393	12.7
107.05061	1.4
108.02220	1.5
109.02963	5.7
111.00887	3.9
113.02446	4.0
119.03493	1.9
121.03033	1.4
123.00890	6.1
123.04546	2.4
124.01660	2.4
125.02446	64.8
126.02802	1.8
126.31203	1.2
127.00417	1.2
133.06549	1.9
136.98845	1.9
137.02441	1.9
139.00339	5.6
139.04019	1.5
140.01131	7.6
141.01917	1.2
146.03777	1.4
146.20340	1.4
147.94882	1.3
149.02521	2.0
150.99194	1.8
151.00365	17.6
151.04053	1.2
152.01067	1.4
153.01933	67.5
153.05553	1.4
154.17076	1.3
161.05998	1.7
167.03505	4.9
168.00645	7.5
169.01422	100.0
169.21011	1.2
170.01762	3.6
175.03952	2.9
177.01962	1.9
177.05545	2.7
181.91956	1.1
183.03015	2.5
189.01917	2.0
190.02713	19.1
205.05055	6.7
211.02461	7.2
233.04536	77.5
234.04863	4.2
259.02545	2.0
271.04605	8.0
277.03601	3.6
305.06580	3.3
313.05670	33.4
314.05994	2.7
315.07172	2.0
315.10583	1.4
365.63791	1.2
423.09222	3.9
439.08322	1.7
442.32507	1.2
467.07465	70.7
467.19479	2.7
467.28558	1.8
468.07983	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	465.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50159	47.8
57.76711	48.8
96.96033	58.6
98.19911	100.0
115.55479	54.0
246.97833	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88783	0.5
57.03437	0.5
59.01377	4.5
61.98831	8.7
65.00338	0.6
67.01868	0.6
69.43171	3.3
71.01385	5.2
72.99296	0.7
73.02934	0.9
75.00874	0.9
78.95794	0.4
79.01898	0.9
79.95731	0.6
83.01374	1.0
85.02954	1.8
87.00880	0.9
89.02441	0.5
93.03418	0.6
95.01398	1.0
96.96011	4.2
97.02924	0.5
101.02435	1.8
107.01383	5.5
109.02948	0.6
109.33923	0.5
111.00863	1.3
113.02447	2.1
116.39383	0.5
119.05096	0.5
122.03749	13.5
123.00898	4.9
124.01692	1.2
125.02448	35.4
126.02773	1.5
137.02420	1.0
139.00362	1.9
140.01152	1.8
149.02374	0.6
149.99579	0.9
150.09419	0.5
151.00368	8.7
151.03984	3.5
152.01012	2.3
152.03526	100.0
153.01947	1.1
153.03891	3.5
153.29074	0.4
164.07329	0.5
165.01906	0.6
168.00635	2.6
169.01424	45.6
170.01732	1.4
211.02438	1.7
241.03610	1.4
303.05017	1.8
304.05499	2.5
313.05646	70.1
314.06049	4.7
345.14816	0.6
465.19464	1.0
465.26917	1.5
466.09921	42.2
466.19409	1.3
466.27298	1.0
467.09924	5.1
467.19751	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	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13918	0.8
55.01870	2.2
57.03446	7.7
59.01381	100.0
60.44262	0.8
61.96167	0.8
61.98816	3.8
65.00314	2.2
69.03468	1.0
69.58031	3.1
69.58439	1.6
71.01387	19.8
72.99283	1.5
73.02941	3.1
75.00867	8.7
81.03495	1.1
83.01391	3.1
85.02955	13.3
87.00867	3.5
89.02438	18.0
95.01388	2.5
97.02928	1.0
99.00896	3.3
101.02441	11.4
102.05614	17.8
107.01384	4.0
107.05034	2.2
111.00903	1.1
113.02454	16.3
115.00315	1.1
119.03491	7.4
123.00868	2.0
123.04520	3.1
125.02451	38.8
126.02814	0.9
128.03542	17.5
130.06587	2.2
131.03473	1.1
133.02942	1.1
139.04121	1.0
146.04596	14.1
146.05803	1.4
147.04552	1.1
149.02448	3.3
149.09734	6.7
151.00383	13.0
151.04041	5.5
152.01146	0.9
153.01926	6.5
153.09221	3.1
161.04552	5.0
163.00385	3.5
167.10774	13.0
169.01434	10.7
172.86292	0.9
175.02615	0.9
175.04033	4.1
176.01160	2.7
177.01958	7.6
178.99878	4.1
179.05659	7.6
189.05554	1.3
191.03577	0.9
199.04007	2.5
200.07104	1.0
201.01949	1.1
217.05011	3.4
225.14929	2.3
241.05067	2.5
243.16020	3.0
250.12259	1.0
259.06134	1.6
267.07080	1.4
275.05627	3.0
284.03018	0.9
285.04044	37.9
286.04407	4.0
292.11844	2.7
303.05112	21.1
303.08530	2.2
304.05310	2.0
313.05621	5.0
322.98547	0.9
336.06726	0.9
336.10861	3.0
341.05267	1.6
403.12335	3.2
405.16516	1.0
405.21381	10.7
406.21643	1.5
421.11343	1.7
430.20990	1.1
447.09372	1.5
465.10037	5.4
465.15674	51.2
466.16663	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	465.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.6
57.03455	6.9
59.01383	24.7
61.98831	24.7
65.00332	1.2
65.95969	1.1
67.01898	1.5
69.03447	1.5
71.01382	29.0
71.54951	1.9
72.99307	6.3
73.02953	6.4
75.00877	32.6
78.97217	1.3
79.95760	1.4
81.03428	1.4
83.01391	4.8
85.02953	37.5
87.00880	12.2
87.64171	1.3
89.02454	4.8
95.01379	4.9
96.96008	5.4
97.02976	2.3
99.00881	10.8
100.45848	1.2
101.02447	7.7
107.01389	2.7
109.02950	1.9
111.00802	1.6
112.01662	1.9
113.02448	33.7
115.00386	3.8
119.05035	2.4
121.02927	1.7
123.00883	2.9
124.01688	1.7
125.02444	15.0
129.01973	1.3
137.02429	2.0
139.00378	1.4
151.00349	4.5
151.04045	1.7
152.00806	1.3
161.04547	3.3
167.03493	1.6
169.01431	11.5
171.04047	1.1
175.02481	3.6
178.99837	2.2
180.00206	1.4
184.14233	1.3
229.14673	1.4
243.02945	1.5
244.02863	1.4
252.68443	1.2
259.02377	2.0
271.02435	8.6
272.02716	5.8
273.03082	9.5
287.01852	2.0
288.02365	2.3
289.02390	6.8
289.16528	1.7
301.03397	2.6
302.03696	1.6
303.04391	3.9
303.13516	4.3
303.37021	1.2
305.06671	2.1
313.05707	4.1
316.02209	15.7
317.02591	16.1
318.02792	31.2
319.03421	6.8
403.13962	1.8
465.09677	41.9
465.19705	100.0
466.09729	3.4
466.20035	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	465.1994
Annotation	Ustiloxin F
Peak:m/z	Relative Intensity
53.31999	0.9
55.01870	1.8
57.03437	6.2
59.01104	1.6
59.01379	20.0
61.98825	1.8
68.35741	0.9
69.32294	8.0
71.01382	28.0
72.99301	5.1
73.02931	6.3
73.38889	0.8
75.00873	27.5
79.95720	1.0
83.01389	4.6
85.02947	34.9
86.03262	1.2
87.00874	9.6
88.42786	0.8
89.02449	4.1
95.01383	3.6
96.96018	8.5
99.00881	9.0
101.02442	10.5
107.01390	1.6
108.67528	0.9
108.71954	0.8
109.02955	1.5
111.00881	1.3
112.01672	2.0
113.02446	31.7
115.00381	3.3
117.01940	2.0
119.03503	0.9
123.00932	1.5
125.02435	8.7
129.01949	2.0
149.02467	1.0
151.00351	1.7
157.01382	1.2
161.04549	2.2
169.01440	10.5
175.02475	2.3
183.03027	0.9
196.99963	0.9
253.97542	1.1
272.02814	1.0
273.03018	1.4
289.16583	2.0
301.03293	1.5
302.03458	1.6
303.04123	3.4
303.13251	1.4
306.04044	0.8
313.05649	3.3
316.02167	1.8
317.02618	2.0
318.02933	2.2
405.07758	0.9
465.08832	8.6
465.19757	100.0
465.26831	7.0
466.20013	11.3
466.26489	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58720	1.0
57.03426	3.1
59.01103	1.3
59.01379	22.1
65.00319	1.7
67.01900	1.1
71.01389	10.4
71.52323	1.3
72.99291	1.6
73.02955	2.0
73.15400	1.1
75.00861	2.2
83.01370	2.9
85.02937	4.7
87.00843	1.7
88.98777	1.5
89.02437	6.6
95.01348	1.9
95.48580	0.8
96.24489	0.9
96.96017	1.5
97.02908	1.2
99.00864	1.5
101.02436	5.5
102.05582	1.0
107.01386	9.3
107.16879	0.9
109.02920	2.1
111.00858	2.9
113.02436	6.5
119.03452	3.2
121.02978	1.7
123.00890	13.1
123.04481	2.1
123.31567	1.1
124.01608	1.1
125.02444	57.1
126.02817	2.4
128.03499	1.2
137.02396	2.5
139.00381	4.8
140.00966	0.9
145.97372	0.9
146.04541	1.4
149.02411	4.0
151.00381	16.7
151.03954	2.5
151.06093	1.4
152.00989	1.6
153.01949	9.6
162.32610	1.2
163.00363	1.1
165.01869	2.0
167.03477	1.7
168.00606	5.8
169.00005	2.2
169.01428	42.9
170.01695	1.2
175.00279	2.5
175.03905	1.6
177.01941	8.1
178.99879	7.3
179.05530	1.9
181.01450	6.9
189.05553	1.5
191.03459	1.6
193.05063	1.3
199.03847	1.8
211.02492	18.0
212.02789	1.0
241.05150	1.6
259.06064	1.6
271.04556	24.6
272.04874	1.5
275.05603	7.7
284.02924	1.0
285.04025	18.0
286.04559	1.6
299.05542	2.7
303.05109	28.7
304.05441	2.5
313.05588	3.7
331.06763	2.4
341.05038	3.0
343.06406	1.2
348.88617	1.0
375.09146	1.1
403.12170	1.3
410.68115	1.0
465.12292	100.0
466.12741	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	465.1036
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
51.24624	1.3
52.47686	1.0
59.01376	9.2
61.98810	2.7
67.01857	1.5
67.86062	1.0
69.03442	1.2
70.08338	4.4
71.01378	9.7
72.99277	1.1
73.02940	2.5
79.01915	2.3
83.01357	2.2
85.02967	5.8
86.64171	0.9
87.00848	2.4
89.02446	3.9
95.01382	3.2
96.96002	1.3
97.02938	2.3
101.02442	4.2
107.01382	15.0
107.05032	27.0
109.02930	1.7
111.00875	5.2
113.02435	4.2
119.03470	1.6
123.00880	26.8
123.04521	2.0
124.01683	3.9
125.02448	74.8
126.02741	2.1
127.00362	1.6
136.98802	3.5
139.00345	9.9
140.01192	6.4
141.01924	3.5
148.60753	0.9
151.00362	19.3
151.03986	4.8
153.01961	2.4
159.32341	0.9
168.00642	5.4
169.01419	92.2
170.01782	3.9
179.03500	1.8
179.05592	1.2
211.02582	1.2
223.02353	1.2
241.03543	1.4
313.05649	19.8
326.71597	1.1
405.21304	2.8
421.11374	74.7
422.11807	8.2
447.09256	11.1
448.09494	1.4
465.10385	100.0
466.10648	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	465.1038
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
51.31626	0.9
53.36337	1.0
55.66441	1.1
57.03424	4.3
59.01381	16.0
61.98827	12.5
62.58170	1.0
69.93086	2.4
69.93478	2.3
71.01385	8.9
72.99287	1.1
73.02933	2.8
75.00862	2.4
79.01863	1.1
83.01356	3.6
85.02954	5.2
89.02444	5.9
95.01357	2.9
96.95966	1.3
97.02919	1.1
99.00825	1.1
101.02446	6.3
107.01386	10.3
107.05024	19.9
108.05305	2.0
109.02917	2.3
111.00861	2.6
113.02410	3.9
116.59244	1.1
119.03420	1.5
121.02921	1.2
123.00886	14.2
123.04498	5.5
124.01678	4.7
125.02448	100.0
126.02747	2.9
127.00420	1.3
133.02831	1.2
135.04503	1.1
136.98726	1.5
137.02402	2.8
139.00412	4.8
140.01108	1.8
149.02419	2.2
151.00357	17.1
151.03879	4.5
152.01190	4.8
153.01859	3.3
161.04523	1.9
166.99886	1.0
168.00624	5.5
169.01414	48.3
175.03911	1.6
177.01892	1.9
178.99760	1.6
189.82674	1.1
203.57278	1.0
211.02498	12.1
217.04948	2.1
259.06091	4.7
271.01880	1.4
271.04568	22.4
275.05444	2.6
285.04047	8.1
301.03235	1.3
302.03503	1.6
303.05142	19.2
304.05310	1.5
313.05423	13.4
313.09174	4.0
317.31818	1.1
331.06635	1.5
377.27847	1.0
407.96005	1.2
421.11365	39.7
422.11932	5.1
437.11020	5.9
447.09070	3.5
465.09955	51.5
465.26947	1.2
466.10516	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	465.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13140	1.2
57.03449	7.7
59.01378	100.0
60.01698	1.8
61.98829	14.9
62.54368	1.3
64.50925	1.1
68.96423	1.2
69.30603	10.2
71.01381	35.6
72.99327	1.7
73.02947	4.2
73.65605	1.2
75.00880	3.1
78.95908	1.3
83.01397	5.8
85.02942	9.6
87.00871	3.8
89.02447	41.0
95.01376	3.4
96.96004	3.6
97.14225	1.3
98.19849	2.6
99.00906	2.1
99.04466	1.6
101.02438	20.2
102.05675	1.3
107.01405	6.3
107.05033	1.7
109.02964	2.9
113.02438	17.5
119.03503	19.0
123.00898	2.2
123.04517	3.1
125.02448	70.3
128.03502	2.5
131.03503	2.6
137.02449	3.4
139.04024	2.7
143.03471	5.2
149.02431	9.3
149.09709	4.5
151.00354	17.0
151.03970	2.9
152.07196	3.0
153.01939	19.3
161.04591	8.5
167.03511	2.1
167.10767	9.4
168.03009	1.6
169.01421	8.9
174.03217	2.1
175.00380	3.2
175.03935	6.3
177.01962	11.7
178.99879	13.9
179.05605	15.0
181.01425	8.4
188.04860	1.6
189.05594	3.7
191.03571	2.1
195.02921	1.6
199.04019	3.4
201.02014	2.0
213.05804	1.4
217.05060	2.9
225.15010	2.8
241.05077	3.0
243.15987	2.3
259.06088	2.7
267.07251	1.7
275.05551	10.4
284.03336	1.8
285.04062	39.9
286.04578	1.7
299.05569	5.0
303.05084	51.2
304.05338	3.9
304.08359	4.8
313.05417	2.6
341.05151	3.9
343.06723	3.9
382.51846	1.3
405.21243	33.6
406.21600	3.2
409.07190	1.3
421.11368	3.5
447.08972	2.6
465.09973	5.2
465.15915	15.5
466.16144	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	465.1038
Annotation	(2R,3R)-Taxifolin 3-glucoside
Peak:m/z	Relative Intensity
56.13140	1.2
57.03449	7.7
59.01378	100.0
60.01698	1.8
61.98829	14.9
62.54368	1.3
64.50925	1.1
68.96423	1.2
69.30603	10.2
71.01381	35.6
72.99327	1.7
73.02947	4.2
73.65605	1.2
75.00880	3.1
78.95908	1.3
83.01397	5.8
85.02942	9.6
87.00871	3.8
89.02447	41.0
95.01376	3.4
96.96004	3.6
97.14225	1.3
98.19849	2.6
99.00906	2.1
99.04466	1.6
101.02438	20.2
102.05675	1.3
107.01405	6.3
107.05033	1.7
109.02964	2.9
113.02438	17.5
119.03503	19.0
123.00898	2.2
123.04517	3.1
125.02448	70.3
128.03502	2.5
131.03503	2.6
137.02449	3.4
139.04024	2.7
143.03471	5.2
149.02431	9.3
149.09709	4.5
151.00354	17.0
151.03970	2.9
152.07196	3.0
153.01939	19.3
161.04591	8.5
167.03511	2.1
167.10767	9.4
168.03009	1.6
169.01421	8.9
174.03217	2.1
175.00380	3.2
175.03935	6.3
177.01962	11.7
178.99879	13.9
179.05605	15.0
181.01425	8.4
188.04860	1.6
189.05594	3.7
191.03571	2.1
195.02921	1.6
199.04019	3.4
201.02014	2.0
213.05804	1.4
217.05060	2.9
225.15010	2.8
241.05077	3.0
243.15987	2.3
259.06088	2.7
267.07251	1.7
275.05551	10.4
284.03336	1.8
285.04062	39.9
286.04578	1.7
299.05569	5.0
303.05084	51.2
304.05338	3.9
304.08359	4.8
313.05417	2.6
341.05151	3.9
343.06723	3.9
382.51846	1.3
405.21243	33.6
406.21600	3.2
409.07190	1.3
421.11368	3.5
447.08972	2.6
465.09973	5.2
465.15915	15.5
466.16144	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	464.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.6
59.01680	0.8
61.78484	0.8
61.98831	100.0
65.51340	0.7
71.01395	3.3
71.03354	1.0
71.03685	1.4
73.02959	1.1
78.95914	1.6
85.02975	1.1
96.95990	1.3
101.02484	2.2
105.64893	0.7
113.02446	1.3
122.03698	0.8
125.02463	2.6
151.00443	1.5
161.02477	1.4
161.04572	1.3
169.01482	1.6
172.74004	0.8
178.99890	1.2
190.53178	0.7
211.02510	1.2
215.03136	1.1
220.68646	0.7
241.39781	0.8
242.02554	0.7
259.02460	0.7
271.02487	3.0
271.04913	1.5
272.02802	4.1
287.02036	1.4
288.02469	2.3
301.03384	1.6
315.18222	2.0
316.02240	5.6
317.02618	12.2
318.03284	2.2
464.09164	12.5
464.71655	1.0
465.09418	1.5
465.17801	2.2
465.31763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92360	1.3
59.01382	8.7
61.98829	19.3
63.02408	1.6
65.00301	1.6
69.28182	13.3
71.01360	3.8
74.34361	1.4
83.01395	2.6
85.33205	1.5
89.02439	3.1
93.97653	1.5
95.01334	1.9
96.96003	3.5
101.02435	2.5
102.57105	1.5
106.20187	1.5
107.01379	5.7
108.01670	1.8
109.02961	1.8
113.02465	2.6
123.00227	1.3
123.00922	11.7
123.07775	1.5
124.01670	4.6
125.02481	13.8
136.98775	2.5
137.02446	5.6
138.02719	2.3
139.00328	3.7
141.01944	1.5
151.00372	17.8
152.00734	6.6
163.00360	1.7
167.03607	1.7
168.00598	3.3
169.01436	15.8
178.99869	9.2
180.00180	3.3
183.13896	2.3
214.02679	3.6
215.03081	6.7
227.03618	1.5
242.01932	2.1
243.02652	5.6
244.03262	3.6
259.02505	2.7
260.02789	4.8
270.01553	4.2
271.02435	27.0
272.02823	38.0
273.03024	2.8
287.02057	10.8
288.02380	22.5
301.03348	7.7
302.03787	10.1
313.05630	2.9
313.42972	1.6
316.02216	45.4
317.02594	95.9
318.03244	29.4
360.03006	2.2
401.14529	84.1
402.14886	9.7
464.09082	100.0
465.09406	8.6
465.18680	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93799	0.5
57.03445	1.0
59.01389	2.3
61.98826	0.8
62.29041	0.4
71.15411	0.8
72.07829	0.4
78.95904	24.8
97.06612	0.5
100.42629	0.4
103.23450	0.5
104.97507	0.5
107.01352	0.5
109.73361	0.4
110.98531	17.5
113.09692	3.2
117.10333	0.5
124.01617	1.0
125.02397	0.5
137.00114	0.7
137.02484	1.3
149.00154	0.7
151.00385	2.9
152.01105	0.6
152.99609	0.6
164.01190	0.9
167.01135	18.7
169.62407	0.5
171.10272	0.8
177.12772	0.9
177.19243	0.4
178.99857	2.1
179.14415	1.5
185.02187	5.4
194.98827	2.7
195.13895	18.7
196.14259	1.3
214.02682	2.1
242.02240	2.1
243.02847	2.4
259.02454	2.0
270.01633	2.9
271.02466	15.6
271.05392	0.9
272.02917	1.2
277.21719	17.7
278.21973	1.2
287.01953	7.1
288.02475	1.0
293.21210	0.4
295.22769	100.0
296.23129	8.4
300.02695	3.6
301.03494	2.5
315.98441	1.0
316.02216	33.5
317.02893	8.1
463.08804	24.0
463.24634	45.2
464.08997	3.3
464.24954	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
59.01379	2.2
61.98856	0.7
63.66671	0.5
65.00352	0.6
70.65420	1.9
78.95903	20.3
80.83919	0.5
80.93717	0.5
83.54817	0.6
92.30437	0.6
94.99104	0.8
104.97498	0.6
107.01429	1.5
109.03000	0.9
110.98530	17.6
113.09753	2.5
121.23138	0.6
124.01729	0.9
134.98581	0.7
137.02463	2.0
137.28867	0.6
149.00050	1.4
151.00377	4.5
152.01122	0.8
159.06146	0.7
163.00342	0.9
164.01144	0.7
165.02086	0.6
167.01147	17.7
167.02486	1.2
168.01460	0.7
176.97318	0.6
177.12982	1.0
178.99815	4.1
179.14438	1.3
185.02209	5.2
194.98888	4.4
195.13901	17.1
196.14240	1.5
214.02768	2.8
227.03424	0.8
242.02182	2.9
243.02905	2.6
255.03018	1.4
259.02454	2.5
270.01749	3.4
271.02460	18.5
272.02817	1.2
277.21698	18.7
278.21915	1.6
287.01950	10.4
288.02542	1.2
293.21143	0.7
295.22766	100.0
296.23138	8.6
300.02695	5.1
301.03442	3.7
316.02222	42.7
317.02872	10.6
451.62976	0.6
457.02887	0.7
463.08813	35.3
463.24634	46.3
464.09299	3.9
464.24854	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	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.2
59.01377	60.4
61.98817	3.9
69.03425	1.0
71.01356	3.0
71.61876	1.0
76.77979	1.0
78.95904	49.0
79.88888	0.9
83.01425	1.3
85.02934	2.0
89.02437	2.3
93.03446	1.0
96.95982	1.9
96.96945	4.9
101.02429	2.5
107.01370	2.9
109.02911	1.4
111.08147	2.6
113.02389	3.5
119.03510	1.3
121.02992	1.1
124.01624	2.7
125.02412	2.6
137.02454	3.8
151.00359	9.5
152.01125	1.5
152.99583	86.5
153.99994	1.0
161.04562	1.7
163.00316	2.7
164.01106	2.9
165.12843	41.5
166.13165	2.8
169.01443	1.6
171.00630	3.7
175.03951	1.4
178.99817	11.1
195.13727	1.4
203.03587	1.4
209.11873	5.8
214.02698	8.3
227.03464	1.8
227.12766	7.3
241.14413	6.5
242.02179	4.7
243.02975	6.5
255.02975	1.7
259.02472	6.5
267.11942	1.2
270.01727	6.9
270.80673	1.2
271.02454	46.9
272.02924	3.9
286.99026	1.6
287.02011	22.2
288.02454	3.4
300.02740	12.0
301.03406	9.9
315.25351	1.6
316.02219	100.0
317.02875	23.7
318.03244	1.5
463.08813	79.8
463.20624	13.4
464.09155	9.5
464.21298	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	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.2
59.01383	12.3
61.98836	6.7
64.79790	0.7
65.00330	1.0
66.54568	0.6
68.99815	1.0
69.68793	1.7
69.69205	2.4
71.01119	0.5
71.01392	6.3
72.99310	1.1
73.02941	1.9
75.00870	2.1
79.95715	0.8
81.03445	0.8
83.01401	2.1
85.02943	2.7
87.00864	0.8
89.02455	2.9
91.04056	0.7
95.01390	1.2
96.96015	7.2
98.20633	1.0
99.00875	1.1
101.02426	4.4
107.01381	2.7
109.02966	2.0
113.02473	4.5
119.03515	0.9
120.08200	1.6
120.86869	0.6
121.02958	1.2
123.00872	1.2
123.04530	1.1
124.01633	3.3
125.02429	3.0
135.00862	1.1
135.02997	1.9
136.01648	1.1
136.07690	1.4
137.02467	4.9
140.01112	0.8
143.03522	0.7
148.01585	0.7
149.02486	0.8
151.00365	11.5
152.01144	1.2
153.01930	0.8
161.02428	3.7
161.04523	1.2
163.00418	1.7
164.01146	2.5
165.01953	0.8
165.12862	10.2
169.01434	2.6
177.01892	2.1
178.99890	9.0
183.13895	95.0
184.14249	5.6
192.00647	0.7
203.03453	1.5
209.11772	1.6
213.14902	1.3
214.02687	6.2
215.03439	1.1
218.61456	0.8
227.03473	1.3
227.12891	14.2
228.13177	1.4
242.02219	6.3
243.02963	6.3
244.03580	1.3
253.09338	4.9
255.03004	2.2
259.02493	5.9
270.01682	6.8
271.02466	43.0
272.02930	4.4
287.01968	23.7
287.05209	0.8
288.02496	2.6
300.02695	10.9
301.03488	9.5
301.07233	4.2
301.15488	4.6
316.02225	100.0
317.02875	26.4
318.03278	1.9
343.08255	4.6
344.08493	0.7
344.95670	0.8
345.15387	1.0
373.09308	1.6
445.20535	0.9
463.08774	74.1
463.16794	2.2
463.21814	50.0
464.09106	10.7
464.22290	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03427	0.6
59.01378	15.5
59.76622	0.6
60.15077	0.6
61.98829	1.0
66.82851	0.6
67.01874	2.1
69.03445	1.9
71.01374	7.6
71.09655	1.1
72.99278	0.9
73.02926	2.0
75.00841	0.8
79.01892	1.2
81.03433	1.3
83.01376	1.8
83.05022	1.8
85.02947	2.7
87.00870	1.5
89.02428	4.5
92.01239	0.7
93.03467	13.7
95.01393	3.0
97.02946	0.9
101.02451	4.4
107.01382	7.0
109.02917	0.9
111.00880	1.5
111.04521	4.1
113.02452	3.1
115.00340	1.0
119.03469	1.8
123.00887	13.7
125.02445	42.0
126.02773	1.7
127.03966	0.8
129.01918	0.7
130.17142	0.6
136.98854	0.7
137.02448	26.0
138.02800	0.9
139.00375	6.4
139.03976	0.7
140.01140	2.3
141.01888	1.1
151.00369	9.3
151.04041	0.7
153.02000	0.8
155.03499	8.2
161.04558	0.7
166.05034	0.8
167.03526	0.9
168.00653	3.1
169.01419	66.5
170.01765	2.9
173.04539	12.0
175.04002	0.6
179.05682	0.7
191.05579	1.8
194.24219	0.7
211.02481	6.2
217.05156	0.6
223.07582	0.9
238.91452	0.6
240.62485	0.6
271.04547	7.4
275.79648	0.7
293.06668	2.0
302.10178	1.1
311.07840	4.2
313.05710	3.1
325.05591	10.6
326.06223	0.7
343.06644	2.1
373.12436	0.7
386.08835	0.7
403.19641	0.9
421.73328	0.7
463.08862	9.7
463.14542	100.0
464.09219	1.2
464.14963	13.4
475.69568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42250	0.6
55.01891	0.7
57.03443	0.8
59.01377	7.2
61.98829	0.8
70.86376	0.8
71.01389	6.5
73.02946	2.1
80.07677	0.5
83.01387	1.4
85.02950	2.3
89.02448	2.0
91.04017	0.9
95.01418	0.5
101.02455	5.7
111.08131	0.8
113.02446	2.5
124.01658	0.9
125.02464	1.2
129.98174	0.6
151.00371	1.9
161.02470	1.1
161.04549	2.2
163.00313	0.7
165.12839	8.6
166.13100	0.6
177.01900	0.7
178.99921	1.1
183.13901	100.0
184.14247	4.6
199.35957	0.6
209.11876	2.0
214.02718	1.3
227.03545	0.6
227.12880	8.8
228.13089	1.1
235.08086	0.9
243.02946	0.8
253.09271	5.1
259.02353	0.7
270.01620	1.0
271.02487	6.5
287.01855	2.9
300.02786	1.3
301.03741	1.0
301.07187	1.7
316.02209	16.2
317.02835	4.5
328.49133	0.6
463.08810	13.0
463.21823	52.0
464.09128	1.2
464.22217	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1247
Annotation	3,5,7,4'-Tetrahydroxy-6-methylflavanone 7-glucoside
Peak:m/z	Relative Intensity
54.82400	0.4
59.01386	3.3
60.68164	0.4
61.98819	2.4
65.00326	5.4
71.01406	0.7
71.55125	0.5
75.00887	0.5
77.94504	0.4
83.01411	0.4
85.02969	0.7
87.00928	0.4
87.95591	0.4
89.00323	2.0
89.02480	0.5
91.01937	1.2
93.03518	0.6
96.96046	0.9
97.02936	4.4
101.02469	0.5
107.01424	1.0
109.02953	3.7
113.02448	0.6
118.59972	0.4
121.02966	2.1
122.93472	0.4
123.00979	0.5
124.01650	0.6
125.02448	1.5
133.02948	0.6
134.03735	1.9
135.04526	100.0
136.04817	3.7
137.02463	0.7
139.04091	0.5
149.99623	2.6
151.00363	3.3
161.02457	2.1
163.00375	0.4
164.01105	0.7
165.01929	48.9
166.02242	1.7
169.01454	1.1
178.99846	1.8
180.97444	0.4
181.05107	0.6
183.03033	0.9
203.03441	0.4
214.02635	1.6
239.12733	0.3
242.02119	1.7
243.02861	1.6
245.97266	0.4
255.02797	1.1
259.02466	2.1
270.01724	1.9
271.02463	13.8
272.02664	0.8
281.04507	0.6
283.05975	0.6
287.01962	6.9
288.02277	0.7
297.09573	0.8
300.02686	3.6
301.07150	73.3
302.03909	0.4
302.07507	6.3
316.02225	29.1
317.02875	6.6
390.71091	0.5
463.07996	21.1
464.07944	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1244
Annotation	Dihydroscoparin
Peak:m/z	Relative Intensity
55.01882	0.6
59.01379	5.3
65.00304	0.8
67.01869	0.7
68.99808	0.6
69.03449	0.9
70.83183	1.0
71.01379	6.5
72.99274	0.7
73.02944	0.8
77.83581	0.4
79.01862	1.1
83.01399	1.5
83.89399	0.5
85.02945	1.8
87.00829	0.7
89.02431	1.5
89.93574	0.4
95.01385	1.8
96.96008	0.5
97.02963	1.2
98.43126	0.5
99.00906	0.6
101.02464	2.3
107.01401	10.5
108.01707	0.5
108.04575	1.6
109.02954	0.6
111.00886	3.0
113.02451	1.4
121.02941	0.8
123.00889	11.8
124.01688	2.8
124.07649	1.0
125.02448	60.8
126.02775	1.9
127.00359	1.0
134.03745	35.0
135.04463	2.5
136.07661	2.8
136.98811	1.8
137.02457	1.6
139.00369	6.2
139.03970	0.7
139.50545	0.4
140.01164	3.9
141.01929	1.2
149.02448	0.8
149.06081	17.4
150.06433	0.7
151.00354	12.1
153.01952	0.9
167.03465	0.5
168.00601	4.2
169.01424	76.4
170.01787	2.2
178.99901	2.9
181.01352	0.5
183.03006	1.9
211.02505	1.6
214.02773	1.9
223.02495	0.7
227.03442	0.7
241.03571	1.8
242.02280	1.1
243.03035	0.7
253.03668	0.6
255.03064	0.7
257.12939	9.8
257.15585	0.6
258.13324	0.8
259.02426	1.2
270.01572	0.9
271.02457	9.5
272.02997	0.9
287.01987	4.0
288.02750	0.7
297.06372	0.8
300.02747	2.5
301.03525	8.5
301.06808	0.8
301.11874	4.7
313.05643	31.3
314.05911	2.2
315.13644	2.1
315.98465	1.0
316.02225	20.3
317.02808	5.3
327.07440	1.9
343.13095	2.0
381.54733	0.6
417.43326	0.6
444.68381	0.5
463.12756	100.0
463.25705	5.7
464.13098	12.1
464.26602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.5
61.98831	3.0
69.03474	1.3
71.01386	2.6
71.21329	2.9
81.03420	1.6
83.05033	3.6
85.02943	3.0
87.00870	3.0
93.03457	30.4
107.01388	6.2
111.04517	10.9
113.02424	1.5
125.02446	60.5
126.02761	2.0
137.02435	60.4
138.02783	2.2
140.53979	1.3
155.03502	17.6
169.01413	100.0
170.01747	3.4
173.04547	30.7
191.05598	3.0
212.25035	1.2
264.22452	1.3
293.06607	4.6
311.07730	8.8
325.02057	2.3
325.05640	29.5
325.13269	1.3
326.05856	2.0
343.06818	3.6
463.08817	28.7
464.09146	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	463.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.8
61.98831	1.0
63.62284	0.6
65.00329	1.0
67.58154	0.6
67.65987	0.8
69.54713	4.6
71.01385	4.8
72.99298	0.8
73.02956	1.1
83.01413	1.5
83.04986	0.8
85.02946	2.1
89.02448	1.5
95.01394	0.7
101.02446	3.0
101.73218	0.6
107.01377	2.9
109.02943	1.4
109.75209	0.6
113.02448	2.2
124.01656	3.4
125.02434	2.2
126.90546	1.0
126.99590	0.9
135.00897	0.8
135.04509	1.9
137.02435	3.5
148.01682	0.9
149.02446	2.1
151.00359	10.4
152.00952	0.9
155.10762	1.4
161.02432	0.8
161.04536	2.7
163.00401	1.9
164.01138	2.0
167.03439	1.3
169.01379	3.3
178.99850	9.1
187.04114	0.9
191.03464	1.2
192.00719	0.6
203.03561	1.9
209.11800	16.9
210.12131	1.0
214.02663	6.8
215.03435	1.4
227.03496	2.0
227.12958	3.9
232.03795	0.9
242.02199	5.2
243.02950	5.8
253.09183	2.1
255.02934	4.5
259.02469	6.5
270.01688	6.8
271.02457	45.9
272.02991	5.6
283.02542	1.2
286.99533	0.6
287.01974	22.8
288.02533	2.9
300.02744	23.9
301.03500	33.7
302.03845	2.4
316.02213	97.1
317.02847	24.8
318.03424	1.3
403.19604	1.7
463.08762	100.0
464.09106	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31125	0.4
59.01378	5.5
61.98823	2.9
63.02422	0.7
64.41461	0.5
65.00372	1.1
69.28938	3.6
69.29341	0.6
71.01428	2.0
81.66351	0.5
83.01402	1.1
85.02995	1.0
87.00912	0.6
89.02450	1.2
98.20628	0.9
101.02499	0.9
107.01388	3.6
113.02468	0.7
119.03589	0.8
119.05078	1.4
121.02989	1.8
123.00934	1.3
124.01739	0.6
125.02448	5.4
125.03180	0.5
131.05113	1.5
137.02472	1.2
139.00380	0.7
144.05789	0.5
145.04517	0.5
148.01637	0.8
149.02440	5.4
149.06117	0.6
149.58725	0.5
150.03246	1.5
151.00372	6.4
161.04512	0.5
163.04059	0.5
165.40523	0.5
169.01422	6.0
171.23204	0.4
173.04662	0.6
177.01991	0.7
187.04066	0.7
188.04774	0.5
191.03571	1.3
191.05589	0.8
199.04031	0.5
203.03568	0.5
204.04198	0.5
209.11899	0.6
215.03493	1.7
216.04218	0.9
227.03519	1.4
239.03572	0.8
243.03101	1.3
255.03050	1.4
259.02771	0.6
271.02539	2.1
272.03232	7.8
281.06616	1.1
283.02551	0.9
287.02029	0.8
299.02057	1.5
300.02734	81.8
301.03476	63.2
302.03894	4.8
313.05630	1.6
316.02155	1.4
317.02682	1.2
343.04349	1.0
403.19568	0.6
463.08652	100.0
464.08975	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	463.0881
Annotation	Myricetin-3-Rhamnoside
Peak:m/z	Relative Intensity
52.89762	0.7
63.02417	1.3
65.00298	2.0
67.01366	1.0
69.47615	5.8
74.43298	0.9
83.01392	1.3
107.01397	3.1
108.02170	1.9
109.02966	2.1
121.02952	2.3
135.00850	2.0
148.01677	2.3
151.00386	14.7
152.00923	1.4
163.00351	3.7
164.01233	1.1
178.99849	6.9
187.03998	1.4
190.99832	1.2
199.03957	1.5
203.03448	1.4
211.04092	1.1
214.02769	1.4
226.02718	1.9
227.03465	3.4
242.02272	2.3
243.02940	16.4
244.03345	1.2
245.04469	1.7
254.02145	2.5
255.02974	33.2
256.03415	3.0
270.01605	2.0
271.02466	86.7
272.02863	7.7
273.04007	1.5
276.97375	0.9
283.02588	1.0
287.01935	4.7
299.02020	2.1
300.02744	96.8
301.03467	64.2
302.03937	5.1
316.02231	21.1
316.05692	1.7
316.53659	0.9
317.02850	5.2
343.04883	1.2
463.08820	100.0
464.09140	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	463.088
Annotation	Quercetin 4'-galactoside
Peak:m/z	Relative Intensity
59.01185	4.2
59.01526	7.1
61.98617	2.0
61.98981	3.9
63.02243	0.7
63.02522	1.1
65.00463	0.8
71.01117	1.2
71.01552	2.6
71.52158	1.0
73.03107	1.4
79.02044	0.5
83.01541	1.2
85.03125	1.7
87.01018	1.0
89.02618	2.9
93.03624	1.2
94.02348	0.4
95.01514	0.5
96.96153	0.8
99.01031	0.8
99.05581	0.5
101.01939	0.9
101.02637	2.2
107.01584	3.9
111.01009	0.6
113.01949	0.5
113.02643	1.5
119.03665	1.2
119.05229	1.8
121.03153	3.4
123.01072	2.8
124.01814	0.7
125.02644	13.0
130.04372	1.2
131.05228	4.3
137.02675	2.1
139.00577	1.5
139.76111	0.5
140.01294	0.9
148.00710	0.5
148.01823	1.2
149.02437	6.0
149.06274	3.5
150.03380	1.7
151.00357	7.1
155.03677	0.9
159.04684	0.4
161.02568	1.0
161.04729	1.6
163.04126	0.7
168.00781	0.6
169.01404	15.7
173.04663	1.2
175.04166	0.6
177.02019	1.0
179.05742	1.0
187.04088	0.7
190.02983	0.7
191.03680	1.1
191.05775	0.6
195.06752	0.7
201.02141	0.5
209.11961	1.3
215.03600	1.9
216.04300	1.2
220.09467	0.5
223.02693	0.6
227.03549	1.2
231.02965	0.6
233.04538	0.8
243.03119	1.3
255.03085	1.5
271.02582	3.8
272.03229	7.5
273.03683	0.9
281.06589	1.5
283.02573	1.2
299.01932	1.5
300.02731	84.1
301.03473	58.7
302.03946	4.4
313.05774	5.2
315.14395	1.1
316.02133	2.1
317.03018	1.0
325.05557	0.8
335.59625	0.6
343.04495	1.7
403.10028	0.8
403.19272	1.5
463.08276	100.0
464.08542	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	463.0122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	49.3
63.06579	1.6
70.80101	1.5
78.95885	1.9
96.95976	1.4
99.85381	1.7
118.51347	1.4
151.00481	1.6
154.16708	1.5
154.20758	1.6
174.99191	16.0
189.22696	1.5
191.03732	1.5
201.02528	2.7
208.34373	1.5
214.02510	1.8
217.00288	100.0
218.00566	3.2
243.02968	1.7
271.02515	8.0
287.01926	5.0
299.00626	12.3
300.02664	2.9
301.03363	3.3
316.02277	16.7
317.02777	4.1
436.97913	1.6
463.08810	13.6
464.09177	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	462.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82111	0.9
58.82917	0.8
59.01376	5.4
59.91481	0.8
61.98832	100.0
71.01382	1.9
78.95914	3.7
83.01408	1.2
84.10174	0.8
85.02944	1.1
96.96011	2.2
107.01385	2.2
109.02992	1.6
113.02422	1.1
122.03799	1.3
123.00923	1.4
124.01653	2.2
125.02438	3.4
137.02428	2.4
137.24731	0.9
137.44713	0.9
151.00381	7.6
152.99617	5.0
153.99974	0.9
161.02493	1.0
161.04477	1.1
163.00392	1.6
165.12801	2.7
166.13145	2.4
169.01434	2.0
178.99837	5.2
183.13814	1.2
184.14189	1.1
214.02771	5.7
227.03510	1.3
227.12886	1.8
242.02174	3.0
242.58029	0.9
243.02829	3.0
253.82556	0.9
255.02907	2.1
255.23953	0.9
259.02466	3.4
270.01666	5.7
270.53152	0.9
271.02441	27.4
285.04034	1.9
287.01938	16.6
287.04868	1.5
288.02582	1.5
300.02832	7.0
301.03552	6.2
316.02213	66.2
317.02963	12.6
405.88528	0.9
448.27811	1.0
462.24515	4.5
462.29871	1.8
463.08807	55.9
463.30661	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	462.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52982	1.5
57.03460	3.3
57.85141	1.6
59.01378	51.5
60.01692	1.8
61.98823	30.0
67.01875	1.8
69.03434	1.6
71.01388	23.2
72.99300	3.1
73.02935	7.6
75.00872	7.8
83.01384	4.7
85.02955	12.4
87.00858	3.2
88.04114	1.6
89.02432	14.5
95.01382	2.0
96.96011	3.2
97.02939	2.8
99.00871	2.8
101.02432	12.3
103.16571	1.5
107.01399	4.9
111.00894	4.1
113.02460	7.2
119.03498	3.6
121.02962	4.0
123.00924	7.6
125.02443	32.6
126.02799	1.9
129.01970	3.2
131.03542	2.6
132.12114	1.6
135.03040	3.0
137.02458	5.6
137.82877	1.8
139.00356	3.1
149.02478	1.5
149.04549	1.5
150.03273	2.3
151.00357	10.7
152.01192	1.6
152.73645	1.5
159.03000	2.1
161.02452	3.8
161.04538	7.2
167.03453	2.3
168.00624	1.9
169.01424	54.6
170.01767	2.1
177.01851	3.2
177.02606	1.9
177.04053	17.5
178.99863	3.7
179.10811	4.1
211.02478	2.3
221.11774	2.2
222.12250	2.9
227.12837	4.4
243.03065	2.5
255.03033	3.2
271.02490	13.5
287.02026	3.5
300.02695	17.9
301.03568	14.6
314.16342	1.7
315.14374	8.3
316.02151	12.3
317.02826	3.3
329.05133	4.4
359.03928	1.9
399.12927	100.0
400.13351	11.6
403.19452	2.4
416.15729	1.6
462.16052	3.8
463.08667	38.0
463.17209	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	461.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51477	1.3
58.75851	1.4
59.01379	100.0
59.83714	1.4
60.01724	2.3
61.98809	1.6
67.99222	1.4
69.00972	1.3
71.10196	3.1
84.22404	1.3
96.95985	2.0
102.32011	1.4
131.94020	1.4
279.23526	1.7
287.69720	1.5
315.01450	4.1
327.28979	2.7
343.26450	2.4
359.25668	2.2
369.24219	3.4
387.25391	8.1
461.29291	13.7
462.22421	1.5
462.29099	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	462.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80241	1.5
53.38664	1.5
57.03447	2.0
59.01379	46.4
59.70977	1.6
60.01709	1.8
61.98829	24.6
71.01389	18.5
71.55365	2.5
72.99300	3.6
73.02938	6.8
75.00879	7.8
83.01378	2.7
85.02952	12.0
87.00889	3.3
89.02464	10.7
91.33978	1.4
93.03459	1.9
95.01389	2.4
96.96017	4.6
97.02953	2.4
97.06602	1.5
97.99277	1.4
99.00857	3.5
101.02460	10.3
107.01416	7.0
108.02193	1.6
111.00875	2.7
113.02435	6.8
119.03501	3.3
120.01299	1.7
121.02928	2.6
123.00852	5.3
123.04514	2.4
125.02446	33.9
129.01990	2.3
131.03490	2.0
135.02982	3.1
135.04549	1.7
137.02432	5.9
139.00336	2.3
140.01134	2.7
140.87134	1.4
141.01942	2.2
147.70021	1.4
151.00363	10.9
151.59140	1.3
153.09033	1.6
159.03011	1.8
161.02425	3.3
161.04579	6.5
167.03436	1.9
168.00620	2.2
169.01431	45.6
173.04613	2.0
177.04025	16.2
178.99895	2.9
179.03493	2.1
179.10802	2.7
211.02725	1.4
222.12219	2.4
227.12865	2.3
243.02867	1.9
255.02974	4.1
271.02438	10.2
274.26187	1.4
287.02100	3.4
300.02759	17.4
301.03671	12.0
315.14566	7.7
316.02225	12.4
317.02917	2.2
329.05054	4.5
399.12927	100.0
400.13263	11.5
401.21671	1.5
462.15759	3.0
463.08688	33.9
463.18188	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	461.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40798	0.6
59.01361	2.3
61.98816	1.5
71.01395	0.8
73.02949	0.7
78.95903	26.8
91.98728	0.7
95.05013	0.6
96.95991	0.6
97.64074	0.7
104.97455	1.6
110.98533	23.2
121.10254	1.0
121.20526	0.7
125.02473	0.8
137.00078	1.2
152.99533	1.4
166.00371	0.8
167.01140	21.6
171.10088	0.8
179.14429	1.3
181.12335	1.0
185.02188	6.6
187.04031	0.8
190.58388	0.7
195.13899	12.3
196.14270	0.9
202.75749	0.6
205.12299	1.4
211.13335	1.1
223.13387	9.8
228.13609	1.0
256.13193	2.6
275.20160	5.8
276.20389	0.9
287.01880	1.2
293.21219	100.0
294.21533	9.9
315.01431	3.4
322.81107	0.8
325.79810	0.7
392.16064	1.5
461.23080	51.8
462.23431	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25761	1.1
69.76225	5.9
78.95902	32.8
96.58585	1.2
110.98522	24.4
155.34151	1.1
166.99725	1.4
167.01141	26.3
179.14459	2.2
185.02168	6.4
195.13879	10.6
196.14465	1.4
205.12338	1.9
223.13394	9.0
225.11163	1.2
234.07300	1.2
256.13095	1.4
275.20132	7.4
279.36697	1.1
293.21231	100.0
294.21466	10.6
315.01379	2.9
384.30487	1.3
392.16180	2.0
461.23126	59.4
462.23376	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	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01717	0.8
61.34157	0.3
61.98841	0.9
71.01384	1.6
73.02971	0.5
78.95907	1.4
83.01393	0.5
85.02961	0.7
89.02451	0.4
96.96046	0.4
97.06596	0.6
101.02458	0.8
113.02460	0.8
117.03424	0.3
123.00898	0.4
123.04529	0.3
125.02465	1.1
142.40919	0.3
151.00388	0.6
151.18091	0.3
152.99586	2.5
153.12843	6.6
154.13197	0.5
161.04550	0.4
169.01428	1.1
177.01942	0.5
179.10774	2.3
197.11826	12.4
198.12151	0.6
207.10239	0.3
239.16562	0.5
271.02463	0.5
284.03369	1.1
287.02100	0.4
298.05191	0.4
299.05597	2.6
315.01505	1.6
384.57001	0.5
439.79120	0.4
461.19427	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47755	1.5
50.53630	1.4
52.09805	1.7
53.77334	1.3
55.01871	6.1
57.03436	5.8
58.00588	2.3
58.36961	1.4
58.51802	1.4
59.01383	91.5
60.01711	1.4
62.76025	1.3
71.01385	77.1
71.53865	1.5
72.99297	4.3
73.02951	23.3
75.00891	1.5
81.03445	2.7
83.01400	10.7
85.02955	33.3
87.00878	4.5
89.02446	22.7
95.01399	8.5
96.95975	1.9
97.02942	2.7
99.00888	13.1
99.04504	6.7
101.02448	61.7
107.01408	3.2
113.02456	34.3
119.03500	7.6
120.42185	1.6
123.00868	8.5
123.04461	1.6
124.04025	2.9
125.02449	27.1
129.05560	2.3
131.03470	2.4
137.02437	2.5
139.00356	5.1
140.01190	1.8
141.01901	1.6
143.03500	4.1
147.06631	3.0
151.00403	7.3
159.03014	10.3
161.03247	3.0
161.04572	56.5
162.04898	2.1
164.57622	2.2
168.00587	6.7
168.02977	2.7
169.01422	32.9
179.05573	2.4
195.13872	2.6
202.60060	1.5
211.02483	22.4
212.02895	2.0
249.06056	2.6
271.04602	28.3
272.04892	3.3
309.11905	14.3
331.06592	2.7
339.18155	2.1
357.19180	100.0
358.19513	11.1
373.08240	1.5
387.09021	2.0
399.20383	9.8
401.10931	7.9
419.18753	1.9
443.11807	2.9
461.12930	80.7
462.13614	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	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	82.4
60.01700	1.6
61.98824	11.2
62.69544	1.3
67.01874	1.4
71.01385	7.3
71.52781	1.7
73.02938	2.6
79.95757	1.5
83.01386	1.8
83.05015	2.0
85.02964	2.9
87.00890	2.1
89.02438	5.1
93.03449	8.1
96.96025	3.4
99.04498	1.8
101.02409	2.5
107.01369	2.2
108.02206	2.0
108.97537	1.3
111.04503	4.4
115.00369	1.7
119.05031	2.2
125.02448	6.8
132.03014	1.5
137.02390	2.3
151.00357	6.7
152.01118	2.9
153.01872	2.6
155.03467	5.0
159.04524	2.0
161.04547	1.5
169.01370	3.6
173.04541	25.4
178.99837	3.0
179.05609	1.5
187.03972	2.4
191.05585	6.6
199.04025	1.9
203.03503	4.5
207.13878	2.8
209.11794	6.4
215.03447	2.3
225.14906	4.4
227.12865	34.0
228.13269	3.3
231.02954	1.8
243.02962	2.9
258.01645	1.3
259.02582	11.7
269.13916	8.1
271.02429	5.5
287.01987	10.4
287.14990	100.0
288.02258	1.7
288.15366	6.1
297.06149	2.4
298.04855	2.3
299.05313	2.4
315.01440	28.2
316.02075	6.4
317.03116	1.6
461.06729	12.7
461.13086	4.1
461.20181	33.9
462.20737	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	461.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
57.03442	1.2
59.01381	31.9
61.98829	3.6
62.09598	0.7
69.03459	1.0
70.60960	1.6
70.61323	1.7
71.01380	13.6
71.72983	0.7
72.99284	1.0
73.02962	3.8
73.03302	0.7
75.00871	2.2
83.01391	1.7
85.02949	6.7
85.06577	1.6
87.00873	1.6
89.02442	7.0
94.99573	0.7
95.01383	2.2
99.00863	1.4
101.02445	10.2
107.01373	4.5
107.46831	0.8
111.00879	3.0
113.02456	7.1
119.03496	2.7
123.00889	13.5
123.04437	1.5
124.01656	2.7
125.02444	29.4
126.02785	1.3
129.01884	0.8
129.05553	2.0
135.02962	2.4
136.98778	1.4
137.02469	0.8
139.00377	6.5
140.01204	3.5
141.01924	1.8
147.06598	1.1
151.00385	10.1
159.03081	1.1
159.06549	1.4
161.04512	4.6
165.02005	0.8
166.99821	1.0
167.03421	1.5
168.00639	8.6
169.01419	37.6
170.01717	2.1
211.02472	25.3
212.02763	1.1
221.11797	2.0
223.02510	1.1
241.03506	1.4
249.09731	1.3
271.04596	39.2
272.04886	2.7
309.11911	22.7
310.12213	1.6
313.05640	3.6
331.06824	4.4
399.12921	3.0
401.10886	46.4
402.11346	3.6
436.58435	0.7
443.11819	2.7
461.12888	100.0
462.13394	10.6
475.55740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1093
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
50.13731	0.3
53.69719	0.3
59.01381	4.7
60.81275	0.3
60.99311	1.0
61.98834	0.8
70.41806	0.5
70.42133	0.6
73.02953	0.7
74.82302	0.3
83.01414	0.3
85.02963	0.4
87.00877	0.7
87.83480	0.2
88.98810	6.8
89.02456	1.2
99.70863	0.3
101.02444	1.6
103.04023	0.4
107.01414	0.3
108.37596	0.2
119.03442	0.6
119.04991	0.3
121.02985	0.4
125.02457	0.5
131.03484	0.5
133.02997	1.1
137.03601	0.3
138.07603	0.3
143.03497	0.5
151.00383	1.0
152.41988	0.3
154.01421	0.4
163.06154	1.4
165.01939	0.5
198.94267	0.3
205.07120	1.0
209.08141	0.5
223.13385	0.7
224.13766	0.5
225.13934	0.3
227.03413	0.6
255.02985	4.0
256.03616	1.9
257.04370	0.3
270.05286	0.4
276.92093	0.3
283.02444	1.6
284.03259	57.4
285.03613	4.2
298.04730	2.8
299.05603	100.0
300.05963	7.8
315.01413	0.9
327.22086	0.5
359.43338	0.3
461.10867	18.6
462.11237	2.5
467.11475	0.3
468.23859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32167	0.7
57.03445	0.9
59.01382	30.6
61.98830	4.0
67.01875	1.2
69.03439	1.1
71.01380	14.4
71.45657	1.3
71.45995	1.1
72.99305	0.9
73.02945	3.8
75.00858	1.2
79.01859	0.8
83.01350	2.6
85.02955	7.5
85.06568	1.5
87.00851	2.9
89.02431	5.8
95.01378	2.4
96.95994	0.9
99.00885	2.0
101.02448	10.4
107.01392	3.8
111.00859	2.7
111.04465	0.9
113.02448	5.2
119.03481	2.5
123.00001	0.9
123.00884	13.1
123.04468	1.0
124.01689	2.2
125.02457	29.6
127.00323	1.3
129.05556	1.5
135.02960	2.5
136.98784	1.7
139.00391	5.2
140.01141	3.7
141.01997	1.6
151.00368	10.2
153.01852	1.3
159.03021	1.2
161.02393	1.6
161.04573	6.5
167.03465	1.9
168.00661	7.7
169.01430	37.2
170.01704	1.7
177.04045	1.2
178.22552	0.8
179.05719	1.0
195.14087	0.9
199.07338	0.9
211.02490	23.8
212.02757	1.4
221.11700	1.4
271.04590	31.5
272.04843	1.5
287.05295	0.8
302.24100	0.9
309.11899	21.8
310.12201	1.9
313.05701	2.2
331.06638	3.5
357.18823	1.8
399.12866	2.4
401.10867	45.5
402.11240	4.4
439.92157	0.9
443.12024	1.8
461.12866	100.0
462.13159	11.7
475.23666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32755	1.1
55.40895	0.9
57.03455	2.6
59.01381	100.0
59.27463	1.2
61.98831	3.7
63.02395	2.2
65.00337	1.4
66.83013	1.0
69.03451	1.6
69.43132	8.3
71.01382	11.9
72.99299	2.5
73.02946	3.1
75.00870	2.8
78.75325	1.1
83.01385	3.4
85.02952	6.7
87.00887	3.3
89.02443	11.2
91.57050	1.1
93.03468	1.7
95.01351	2.0
96.95993	2.2
99.00869	2.1
101.02432	4.3
103.00378	1.5
105.01922	1.4
105.75353	1.2
107.01384	5.7
109.02916	2.4
109.06606	1.3
111.00896	1.2
113.02459	5.4
117.03463	3.2
118.59965	1.1
119.03472	1.1
119.05025	2.3
120.50770	1.0
121.02930	3.3
123.04534	11.6
124.04882	1.1
125.02444	6.1
129.01860	1.2
130.04073	1.1
135.02991	1.2
135.04518	4.8
137.02461	1.4
145.02957	17.6
147.00813	2.4
149.02454	2.8
149.04453	1.3
151.00385	21.5
152.01190	1.3
153.01924	1.2
153.05568	9.6
155.75945	1.2
159.64604	1.1
161.02420	2.8
161.04515	2.3
163.04015	2.5
165.12790	2.4
166.44984	1.1
168.00735	1.1
169.01425	5.8
173.72810	1.3
175.00385	2.5
177.01932	14.1
178.99847	15.3
179.03476	2.0
181.12213	1.5
193.01440	1.4
193.15923	1.4
201.01941	1.2
205.01389	8.5
207.13893	1.5
209.11841	5.1
215.03429	1.2
225.14964	72.5
226.15309	3.5
227.03484	1.3
227.12730	2.3
230.99329	1.7
243.12379	2.2
249.05960	1.1
255.02956	11.4
257.04538	2.0
267.03088	1.9
267.07126	1.4
269.13916	20.7
281.14050	1.7
283.02466	12.6
284.03070	1.8
285.04080	2.1
287.14859	2.0
298.04681	1.7
299.02051	1.4
299.05585	1.4
299.15070	16.6
300.15320	1.6
307.08240	13.1
311.02133	2.7
312.02615	1.4
313.03378	2.5
317.02911	1.4
323.53461	1.2
327.01465	2.3
329.03165	3.7
329.16037	28.0
337.07654	2.2
357.02509	38.5
358.03149	2.5
387.03467	1.5
389.05020	1.9
403.94635	1.3
446.08551	1.9
461.06116	30.2
461.11853	5.2
461.19424	10.4
462.06796	5.4
477.01297	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2904
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
54.99059	5.1
58.96061	4.4
61.98811	6.0
71.52193	6.1
74.53725	4.3
89.02516	5.4
89.12033	6.1
90.18130	5.3
100.32131	4.8
107.04985	27.0
116.92882	5.2
133.98167	4.9
150.62090	4.2
156.70551	5.0
163.11284	100.0
195.23051	5.2
230.50935	4.6
283.17038	27.9
295.16876	13.2
459.28998	97.0
460.29263	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	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03459	0.8
59.01381	100.0
60.01724	1.1
61.98850	0.6
69.03467	0.6
69.22900	3.9
71.01385	7.9
72.99325	0.6
73.02952	2.3
75.00894	0.5
83.01410	0.9
85.02955	4.9
87.00890	1.0
87.04518	0.9
89.02469	1.9
95.01411	0.8
96.96033	1.3
97.02982	0.5
99.00903	1.3
101.02437	3.2
107.01397	0.6
113.02457	6.4
119.03471	0.7
119.05042	0.5
121.02942	0.7
125.02473	1.9
146.68100	0.5
147.04549	1.9
149.02487	1.0
151.00383	1.8
154.81154	0.5
161.04538	2.8
169.01498	2.0
177.01974	0.4
190.02734	1.3
191.03505	38.2
192.03809	2.0
207.13998	0.8
223.13524	0.5
244.40009	0.4
255.19725	0.5
264.24597	0.4
297.07693	17.9
297.10992	1.0
298.08035	1.6
348.88422	0.4
399.24017	4.5
400.24548	1.0
417.25098	2.5
459.12976	1.6
459.19104	2.9
462.97916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
57.03466	0.7
59.01379	10.1
64.43855	0.6
67.01891	0.7
69.03469	0.8
70.86242	1.2
71.01382	4.5
72.99306	1.1
73.02956	1.7
79.01893	1.1
83.01379	2.5
85.02937	3.2
87.00819	1.0
88.82203	0.6
89.02438	1.9
95.01389	2.2
96.96050	0.9
97.02958	1.1
101.02435	3.4
107.01396	3.5
110.00093	0.7
111.00887	3.1
113.02448	2.3
119.03481	0.6
119.05013	1.0
123.00881	15.6
124.01662	1.5
125.02445	18.6
126.02782	1.1
127.00343	1.2
135.04445	0.8
136.98819	1.9
139.00368	5.4
140.01192	4.3
141.01965	1.8
145.02965	0.7
145.08698	2.1
151.00340	11.3
153.01888	0.8
163.04089	0.9
168.00656	4.9
169.01430	19.5
170.01752	1.1
202.28516	0.7
205.05055	5.4
211.02414	0.9
223.38519	0.7
233.04555	7.7
285.17075	1.7
307.14041	1.9
313.05624	1.9
339.08603	3.0
459.18747	100.0
460.13208	1.1
460.19110	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	459.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69967	1.8
57.03447	3.3
59.01379	87.6
60.01700	2.3
61.98827	7.6
67.01880	3.7
69.31595	17.4
70.03812	2.2
71.01065	2.0
71.01389	22.9
72.11500	1.7
73.02933	3.9
75.81046	1.7
77.56493	1.7
83.01388	4.4
85.02938	10.1
87.04517	2.0
89.02435	15.0
89.06085	3.7
91.01875	2.6
93.03451	6.9
95.01384	3.6
96.96004	8.0
97.02934	2.3
98.95573	4.5
101.02435	10.5
107.01398	7.5
108.02187	3.9
109.02975	10.7
111.00878	5.9
111.08164	2.5
113.02427	6.7
119.03477	5.9
121.02968	3.5
123.00893	15.3
123.04531	12.6
124.01619	2.7
125.02448	25.6
126.02754	4.1
127.07622	2.9
130.25777	2.1
137.02432	2.4
139.00328	5.1
140.01128	3.8
147.28922	1.9
149.02419	2.3
149.04538	2.2
151.00386	15.8
152.01146	11.1
153.01903	10.2
155.03494	2.7
161.02406	2.0
166.02734	11.4
167.03499	45.2
168.00716	2.9
169.01428	26.7
170.01787	4.4
171.01830	3.9
173.04512	11.0
179.10785	3.0
181.05083	11.9
191.05623	17.7
194.02231	9.9
195.02951	20.0
199.86327	2.1
209.04538	67.5
210.04929	3.8
211.02477	8.5
237.07748	6.0
239.05579	7.2
241.14529	10.6
255.05180	14.3
269.06567	16.1
271.04544	8.5
285.13419	39.1
286.13721	2.6
288.24777	2.1
307.13965	18.8
309.11816	2.3
325.12061	2.2
355.12921	2.7
441.13809	2.4
459.14426	100.0
460.14926	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	459.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98820	4.7
64.14750	3.0
71.01396	5.6
83.50273	3.1
85.02944	3.5
94.05270	2.6
96.96023	3.0
98.19934	7.2
125.02406	6.2
128.63374	3.0
207.13852	6.8
207.97816	3.2
459.18201	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.1
59.01380	36.9
59.01656	1.2
69.03433	0.9
71.01379	17.3
72.99265	3.0
73.02959	4.2
75.00838	1.3
79.18285	0.8
79.94368	0.7
83.01331	2.9
85.02946	7.4
87.00832	2.8
89.02443	15.8
95.01342	2.5
96.95995	2.2
97.02901	1.3
98.03790	0.8
99.08162	18.0
99.23279	0.9
101.02446	13.3
107.01376	4.8
111.00866	1.3
113.02459	8.4
113.09636	0.9
114.28167	0.8
119.03507	6.7
123.00886	8.6
123.04415	1.0
124.01581	1.0
125.02457	20.6
127.07572	3.3
129.09166	1.2
139.00275	2.9
140.01068	2.6
141.09157	2.1
145.08711	59.5
146.08943	2.3
151.00357	3.9
152.01094	1.4
161.04518	1.8
163.11177	3.4
167.03441	1.4
168.00648	4.2
169.01430	23.4
170.01761	1.0
173.04333	0.9
179.10605	1.3
187.09698	1.8
191.01901	1.3
211.02480	9.8
219.13783	1.6
233.04164	1.1
235.07930	1.4
271.04657	8.3
285.16815	3.5
307.13992	71.3
308.14349	4.5
313.05319	2.8
390.20081	0.8
459.14569	100.0
460.14752	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	459.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03447	6.3
58.00576	1.4
59.01379	23.8
67.55628	0.7
68.99831	0.9
70.66364	1.8
70.66677	0.6
71.01380	31.9
72.99304	6.8
73.02944	2.5
75.00869	33.6
78.49886	0.8
79.48186	0.8
80.10072	0.8
81.03475	0.9
83.01373	3.6
85.02953	31.7
87.00878	9.1
89.02446	9.3
95.01385	3.1
97.02970	2.1
99.00885	10.8
101.02435	6.2
103.00365	0.9
109.02938	1.4
113.02451	33.8
115.00377	3.2
117.01910	0.8
119.03485	1.7
125.02440	16.4
126.02793	6.7
127.02900	3.7
129.01915	1.3
131.03520	1.8
132.41933	0.9
137.02429	2.7
139.02898	0.8
139.04013	1.4
157.01433	1.3
161.02458	1.2
165.01869	1.8
167.03488	2.1
168.03827	1.5
169.01425	12.5
170.01761	5.9
171.01894	4.0
173.04565	4.5
175.02483	4.1
179.03452	1.5
180.03777	1.4
219.06650	1.1
221.07072	1.3
305.06781	4.4
306.07153	4.8
307.07227	9.9
399.13004	1.3
437.45016	1.1
459.15067	100.0
460.15561	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1298
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03438	1.2
59.01377	21.1
61.98813	1.2
71.01399	4.2
73.02938	1.6
75.00863	0.9
83.01385	1.7
85.02943	4.2
87.00839	1.7
88.04037	4.2
89.02437	2.3
95.01422	1.2
96.96037	1.5
97.06498	0.8
99.00835	1.1
101.02433	4.0
107.01369	2.5
111.00853	1.5
113.02435	2.5
119.03436	1.4
119.05002	1.0
123.00880	3.6
123.04508	1.3
124.01665	1.1
125.02447	7.7
128.05141	0.8
136.98860	0.8
139.00349	1.8
140.01128	1.4
147.04527	5.1
149.02409	3.0
151.00388	8.9
153.02026	0.8
168.00638	0.9
169.01410	8.6
170.01694	1.0
177.01973	1.2
179.10770	1.9
190.02719	1.6
191.03494	100.0
192.03844	4.0
209.06615	1.0
211.70253	0.8
223.13358	4.5
227.03496	0.8
267.12381	3.2
297.07675	43.1
297.12970	1.7
298.08008	5.5
298.16592	2.6
301.03592	1.3
307.04260	0.9
383.05063	2.5
459.18570	30.3
460.18784	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	459.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
59.01377	21.1
61.98813	1.2
71.01399	4.2
73.02938	1.6
75.00863	0.9
83.01385	1.7
85.02943	4.2
87.00839	1.7
88.04037	4.2
89.02437	2.3
95.01422	1.2
96.96037	1.5
97.06498	0.8
99.00835	1.1
101.02433	4.0
107.01369	2.5
111.00853	1.5
113.02435	2.5
119.03436	1.4
119.05002	1.0
123.00880	3.6
123.04508	1.3
124.01665	1.1
125.02447	7.7
128.05141	0.8
136.98860	0.8
139.00349	1.8
140.01128	1.4
147.04527	5.1
149.02409	3.0
151.00388	8.9
153.02026	0.8
168.00638	0.9
169.01410	8.6
170.01694	1.0
177.01973	1.2
179.10770	1.9
190.02719	1.6
191.03494	100.0
192.03844	4.0
209.06615	1.0
211.70253	0.8
223.13358	4.5
227.03496	0.8
267.12381	3.2
297.07675	43.1
297.12970	1.7
298.08008	5.5
298.16592	2.6
301.03592	1.3
307.04260	0.9
383.05063	2.5
459.18570	30.3
460.18784	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	459.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
59.01378	15.3
61.98825	1.5
65.00321	1.1
71.01379	3.4
71.53897	0.8
71.54324	1.3
75.00855	2.5
82.72786	0.8
85.02972	2.2
95.01369	1.1
101.02460	1.2
107.01397	2.5
109.02966	2.6
113.02464	1.0
121.02956	100.0
122.03285	3.1
123.00881	2.9
125.02448	10.6
126.02837	1.1
137.02422	3.9
151.00343	6.7
154.47475	0.8
161.02431	1.2
161.04510	1.2
162.95625	0.9
168.00671	1.2
169.01443	13.9
170.01746	1.7
178.99828	3.6
180.05737	1.3
181.06586	6.3
191.73250	1.0
225.05563	7.3
261.04037	1.1
271.02328	1.4
272.22733	0.9
279.05264	1.2
307.04364	1.5
313.03751	1.6
313.07162	19.0
314.07321	2.5
316.02271	1.3
317.03036	16.7
318.03336	2.6
357.06082	5.8
362.32660	0.9
386.16327	0.9
401.08765	60.7
402.09113	7.4
449.07214	3.1
459.18829	1.7
459.29541	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86080	4.5
51.69157	4.9
71.30069	11.1
71.30434	5.1
78.00605	5.3
99.92570	5.9
115.92067	100.0
116.92845	6.8
169.01447	5.0
172.95428	6.7
177.80492	5.6
178.67345	4.9
194.97168	5.5
457.22708	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	457.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66378	1.8
54.58007	2.0
57.03447	5.1
59.01099	3.6
59.01381	51.1
61.98822	3.8
67.01881	3.0
69.03449	3.6
70.86142	5.2
71.01382	27.2
72.99313	4.3
73.02947	3.7
75.00875	20.3
75.22985	1.7
81.03417	3.0
83.01388	3.4
85.02948	27.8
87.00889	10.6
89.02453	8.4
93.67503	2.0
95.01381	6.8
95.05030	5.0
96.96055	3.1
97.02975	2.4
99.00900	16.0
101.02415	2.9
103.00393	3.8
107.01363	2.1
109.02964	2.1
110.06101	2.5
113.02454	39.3
115.00405	3.5
117.01952	2.7
119.03402	2.1
119.04960	1.9
122.06133	5.6
123.00874	2.7
125.02451	82.0
127.04003	2.8
129.01932	3.2
137.02440	7.0
161.02487	4.7
161.04385	2.0
163.11288	6.0
165.01843	3.0
167.03552	4.8
169.01425	100.0
170.01767	4.6
175.02478	4.6
179.03473	3.6
181.12283	15.4
183.13931	5.5
186.01959	22.3
187.02419	2.3
193.01430	4.0
193.72687	2.0
209.08232	3.7
218.04556	39.8
219.04944	2.7
225.11334	11.7
230.11908	2.6
244.09996	2.4
249.06100	5.1
258.11328	3.3
274.10916	5.1
278.01996	2.2
305.06696	13.7
305.12527	5.8
395.19885	8.8
413.18045	5.9
427.18570	3.6
439.18649	32.1
440.19211	3.5
457.07574	2.6
457.16754	64.2
458.17532	8.5
467.38330	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19519	0.2
53.73177	0.2
57.03443	2.0
69.03464	1.3
69.48721	1.6
76.30048	0.2
79.01864	0.3
81.03455	0.9
83.01389	0.7
95.01366	0.4
95.05068	0.3
97.02948	1.0
105.03447	0.7
107.01401	0.8
109.02937	0.7
111.04428	0.2
114.47222	0.2
122.56580	0.2
123.00900	0.9
124.01698	0.6
125.02441	63.9
126.02783	2.4
129.65810	0.2
137.02422	2.3
139.04005	1.1
140.10912	0.2
149.02437	0.6
150.64537	0.2
161.02446	4.7
164.01118	0.6
165.01938	1.3
166.99867	0.4
167.03487	1.4
169.01416	100.0
170.01762	4.3
175.03958	0.3
177.01985	0.2
177.05556	0.6
179.03458	1.0
193.01413	3.7
205.01352	0.4
219.06635	0.9
221.04472	0.4
243.06622	0.3
261.07825	0.3
269.04477	0.7
275.05499	0.4
287.05600	0.7
305.06644	5.7
306.07224	0.5
319.04263	0.5
331.04614	1.9
408.55960	0.3
457.07629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0775
Annotation	Epigallocatechin Gallate
Peak:m/z	Relative Intensity
57.03452	2.7
61.76367	0.4
69.03447	1.3
81.03458	1.3
83.01377	0.5
85.02922	0.5
95.01391	0.6
95.05037	0.6
97.02973	1.6
105.03468	1.1
105.64880	0.5
107.01365	1.4
109.02990	1.1
116.76340	0.4
123.00903	0.9
124.01659	0.5
125.02448	74.1
126.02757	3.5
137.02414	2.3
139.04021	1.1
149.02448	0.6
150.66527	0.6
153.13513	0.7
161.02428	4.6
164.01141	0.6
164.47623	0.5
165.01898	1.9
166.99850	0.7
167.03529	2.1
169.01422	100.0
170.01768	3.9
177.01953	1.3
177.05522	0.6
179.03470	0.9
193.01421	3.7
219.06644	1.1
269.04483	1.4
275.05414	0.8
287.05737	0.8
287.36334	0.5
305.06656	5.6
306.07254	0.6
331.04633	2.0
342.91864	0.5
473.60583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3531
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
59.01358	0.7
59.64204	0.6
65.59469	0.6
69.51487	0.6
70.67001	1.3
70.67333	0.9
76.07166	0.6
81.48147	0.6
142.79709	0.6
166.99818	1.0
237.62427	0.7
393.33774	0.7
455.35294	100.0
456.35605	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	457.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09400	0.3
52.68084	0.3
57.03440	2.6
61.24628	0.4
69.03457	1.3
69.32041	1.3
69.32467	1.7
71.01366	0.5
75.00874	0.6
79.01907	0.7
79.61669	0.3
81.03472	1.4
83.01385	1.1
93.38045	0.4
95.01366	0.5
95.05016	0.7
97.02955	1.6
99.00853	0.4
105.03442	0.6
107.01385	0.6
109.02946	1.5
110.13507	0.3
113.02489	0.7
119.05016	4.5
121.02985	0.5
123.00898	1.2
123.04638	0.4
124.01644	1.3
125.02442	75.8
126.02777	2.4
137.02438	3.9
138.03166	0.4
139.03992	2.5
149.02461	0.7
159.04532	0.4
161.02429	5.3
164.01123	1.2
165.01891	3.1
166.99806	0.4
167.03477	3.9
169.01414	100.0
170.01765	4.0
175.03972	0.4
177.01836	0.5
177.05534	0.9
179.03503	2.5
191.07123	0.5
193.01401	4.6
203.03415	0.7
204.04192	0.5
205.01328	0.5
219.06636	2.5
221.04544	1.1
243.06418	0.4
269.04474	0.8
277.05548	0.5
287.05652	1.0
305.06647	16.3
306.06906	1.8
319.04675	0.4
331.04590	1.9
456.41696	0.4
457.07468	2.1
457.13489	1.7
458.08234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72759	1.9
55.01880	4.4
57.03435	5.4
59.01380	69.3
61.98815	3.5
64.65384	2.1
68.59969	1.6
69.03456	2.6
69.60834	8.2
69.61246	3.1
71.01379	32.0
71.15988	1.5
72.99297	3.1
73.02951	18.5
79.95744	4.7
81.03429	2.3
83.01380	18.2
85.02953	21.5
85.53378	1.7
89.02449	7.3
92.43505	1.7
95.01370	4.2
96.96011	77.4
97.02950	1.6
99.00880	5.0
101.02441	53.8
103.29128	1.8
107.01390	2.9
109.02959	4.3
111.00893	2.6
113.02448	20.2
119.68291	1.6
123.00863	13.2
124.01585	2.5
125.01516	2.1
125.02449	42.2
137.02438	5.5
139.00351	2.0
139.03940	1.7
140.01100	1.9
140.07159	5.8
141.07526	2.9
143.03484	2.1
151.00339	5.9
154.99973	1.9
159.02965	3.7
161.02443	4.2
161.04555	15.2
166.99864	7.3
167.03511	5.8
169.01414	23.6
177.01920	11.0
211.02383	2.6
243.02788	2.3
249.13419	95.7
250.13789	5.2
271.04532	5.1
283.58066	1.8
285.04041	2.1
303.05194	3.3
305.06732	2.7
313.05722	3.6
314.05771	3.9
317.03052	2.0
329.02798	2.8
344.20551	2.1
349.73779	2.0
395.19196	100.0
396.19531	13.5
455.10260	16.1
455.15009	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	455.3528
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
59.01339	1.0
68.99566	1.7
69.40173	0.8
74.13849	0.8
75.07090	0.9
93.36353	0.9
108.40414	0.9
112.98572	2.6
121.27184	0.8
123.58872	0.9
143.87242	0.9
346.19012	1.0
411.32971	2.2
432.53583	1.2
455.35291	100.0
456.35635	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.3
59.01376	7.6
61.98835	3.1
62.96408	0.6
65.00318	0.6
69.03454	1.0
71.01378	1.7
71.05027	0.5
71.55639	1.0
73.02973	1.2
78.95903	55.6
83.01389	1.3
85.02947	0.6
89.02499	0.7
93.03418	0.6
96.96017	5.4
96.96967	4.4
98.95598	1.1
99.00900	1.1
101.02467	0.6
111.08153	1.9
123.00879	2.3
125.02455	6.5
150.98096	0.6
151.00380	6.7
151.04007	5.9
152.99582	56.3
153.99989	0.7
165.12839	28.3
166.13196	1.9
166.99878	0.9
167.03488	1.0
169.01413	2.5
171.00633	9.2
177.01936	1.3
178.99751	0.7
183.13895	100.0
184.14230	5.4
193.01326	0.8
209.11867	2.6
213.86601	0.6
227.03207	4.5
227.12885	40.8
228.13199	2.9
245.04288	2.1
251.16400	0.7
285.04108	2.6
302.08215	0.5
303.01675	1.3
303.04987	7.7
347.00836	0.6
363.12296	3.5
369.54633	0.6
381.13077	1.1
437.15509	3.7
455.16818	97.9
456.17215	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	454.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
61.98831	100.0
62.30288	0.9
74.13950	1.0
123.00842	2.0
125.02422	2.7
159.66212	1.2
166.99808	2.2
169.01376	2.3
177.01889	1.0
182.47345	0.9
208.72865	0.9
239.61659	1.0
467.87222	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.6
59.01382	2.7
60.55471	0.7
61.98812	0.8
69.28408	5.7
71.01394	1.7
73.02959	0.7
78.95895	4.6
81.03482	1.8
83.01387	3.2
85.02946	1.8
89.31209	0.6
93.03481	1.1
95.01413	1.0
95.05024	2.7
96.96017	3.2
96.96987	1.4
101.02438	0.6
104.34756	0.7
105.03461	5.3
105.57378	0.7
108.02181	1.9
109.02940	3.0
111.04530	1.0
113.02468	1.5
119.05042	1.6
121.02944	1.0
123.00890	2.7
123.04533	1.6
124.01633	1.2
125.02450	100.0
126.02767	4.1
133.02953	1.1
133.06653	0.9
136.66541	0.7
137.02451	11.6
139.04022	3.1
145.02975	1.8
147.04430	0.8
148.78278	0.7
149.02440	1.4
151.00342	0.8
152.01109	3.8
161.02444	35.9
161.06094	1.0
162.02835	2.2
163.04030	1.8
164.01305	0.8
165.01933	4.0
166.02573	1.0
167.03481	8.3
169.01445	6.6
175.03940	1.0
177.01985	1.7
177.05508	4.6
179.03540	1.9
181.04977	0.7
201.05537	1.4
205.05153	1.3
219.06697	1.6
221.04568	0.9
227.03528	1.0
236.83737	0.7
243.06622	0.8
261.07617	0.9
265.07202	0.9
269.04535	3.6
287.02719	0.7
287.05658	4.8
289.07315	0.9
289.70917	0.7
303.05225	0.8
305.06656	15.0
306.07126	1.5
317.06558	0.9
357.09039	1.5
386.21185	0.7
440.89932	0.7
455.15179	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78534	0.4
59.01380	1.5
59.11637	0.3
61.98830	1.1
65.90071	0.3
66.97493	0.3
67.01885	0.9
69.03440	0.7
71.01367	2.9
72.99274	0.4
79.01905	1.2
81.03454	0.4
82.85834	0.4
83.01373	0.8
85.02940	0.7
87.00872	0.5
87.87006	0.4
95.01392	1.6
96.96010	3.4
97.02937	0.7
98.20741	0.8
101.02441	1.3
107.01395	5.7
107.30035	0.4
111.00874	2.4
113.02467	1.0
123.00890	13.7
124.01701	0.9
125.02446	33.9
126.02780	1.1
127.00397	0.9
136.98785	1.4
139.00371	5.7
139.46603	0.4
140.01184	3.5
140.07179	49.1
141.01968	1.9
141.07521	1.4
147.25360	0.4
151.00374	11.1
152.00734	0.6
161.02428	0.5
162.23589	0.4
165.01947	0.5
168.00621	3.7
169.01428	54.0
170.01794	2.2
179.03487	0.6
211.02426	1.0
219.71954	0.4
241.03549	1.4
253.03436	0.4
259.02811	1.8
313.02228	0.8
313.05643	9.3
314.06042	0.7
354.67072	0.4
453.33539	1.5
454.13522	100.0
455.13879	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	454.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73673	0.5
57.03460	0.5
59.01367	0.7
61.98829	100.0
71.07008	0.8
71.07370	1.2
95.01394	1.0
96.96024	0.7
110.08439	0.6
123.00893	1.7
125.02453	2.7
153.02036	0.6
166.99905	1.4
169.01459	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	454.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62160	0.6
59.01373	2.7
61.98822	2.6
62.96408	0.9
69.03447	0.9
71.01376	3.9
73.02959	1.8
75.00861	0.7
79.01874	0.8
83.01360	0.8
85.02921	1.5
87.00874	0.8
90.14648	0.7
95.01388	2.8
96.96017	4.6
97.02895	0.8
98.02504	0.7
99.00865	0.8
101.02435	1.6
107.01399	5.9
108.02231	1.0
111.00888	1.6
113.02489	2.0
122.99468	0.8
123.00871	16.0
124.01691	1.6
125.02443	37.6
126.02756	2.2
127.00357	1.0
127.02930	0.9
137.02432	1.5
138.01970	11.9
139.00380	5.0
139.02342	4.9
139.03946	0.8
140.01131	2.9
140.02415	3.0
140.07169	43.4
141.01944	1.3
141.07552	1.5
151.00363	10.2
151.03914	0.7
153.01906	1.5
168.00645	3.8
169.01414	55.3
170.01773	4.3
171.01833	2.3
211.02454	1.8
227.03603	0.9
229.31927	1.0
303.04971	1.0
313.05692	9.7
314.06064	3.1
315.06232	7.7
316.06485	1.0
379.04990	0.8
454.13583	100.0
455.14056	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	453.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48671	0.5
52.01712	0.5
57.03421	0.5
59.01362	0.9
61.98788	0.6
66.85574	0.6
73.02912	1.0
89.07951	0.6
126.00926	0.5
225.23892	0.6
264.62399	0.6
333.31592	1.5
335.33179	100.0
336.33551	14.6
379.32156	78.6
380.32492	12.3
397.33228	3.2
433.80890	0.6
453.35873	20.0
454.36356	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	454.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73436	0.5
55.73151	0.5
57.03441	0.9
58.91732	0.5
59.01380	2.0
59.34925	0.5
59.57733	0.5
61.98829	100.0
62.74831	0.5
68.60227	0.4
69.47403	3.5
71.01373	0.9
83.01427	0.6
83.77864	0.5
85.02973	0.5
85.29325	0.5
87.00916	0.5
95.01389	0.6
96.96004	3.2
101.02433	1.1
107.01377	2.8
123.00883	4.2
124.01706	0.6
125.02454	8.5
126.02798	0.7
137.02454	0.5
138.05603	0.8
139.00421	1.2
140.01158	0.9
140.06082	0.7
140.07173	12.4
145.02966	1.2
151.00395	4.5
161.02573	0.6
166.99869	0.5
168.00659	1.4
169.01414	10.3
170.01779	1.0
177.01880	0.6
185.06119	0.7
186.61920	0.6
229.05048	13.4
230.05461	1.2
235.99202	0.5
286.79044	0.6
313.05637	6.5
313.67776	0.6
314.05991	0.6
338.55389	0.5
391.10330	4.8
395.19458	0.9
454.13486	18.9
455.06143	0.6
455.14371	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	453.2164
Annotation	Tetrahydrogeranylgeranyl diphosphate
Peak:m/z	Relative Intensity
51.02991	1.1
51.20382	0.9
57.03460	1.4
58.33876	1.0
59.01379	21.6
61.98830	1.3
67.02953	1.1
69.44566	7.7
71.01381	9.6
73.02957	3.3
78.95938	1.0
79.95728	6.2
80.91685	2.7
81.67710	1.3
83.01405	1.4
85.02937	3.0
87.00930	1.1
89.02457	3.8
96.96011	76.5
97.06600	1.1
98.19836	1.1
98.95541	1.2
101.02446	6.3
109.02933	1.2
113.02464	4.7
119.03522	2.3
121.02972	1.9
123.00851	1.8
125.02438	6.3
143.03502	1.1
151.00336	1.8
157.12358	2.3
161.02467	1.3
161.04596	2.4
169.01375	7.2
169.12378	1.3
173.05864	1.2
177.01941	2.0
185.11867	1.9
187.14896	1.3
215.12825	6.5
223.13503	1.2
235.67665	1.0
255.06664	2.6
301.03598	3.6
325.23843	2.5
341.23169	1.3
343.24826	12.6
344.25229	1.5
355.24756	2.3
360.77969	1.2
373.25903	36.4
374.26477	4.1
423.20648	3.6
453.21674	100.0
454.21982	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	453.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01680	1.1
57.03437	2.5
58.00584	1.4
59.01378	100.0
60.01758	1.2
61.98816	2.6
65.99875	1.2
67.30476	1.0
69.03449	1.8
71.01382	28.7
72.20146	1.1
72.99294	3.0
73.02945	17.8
75.00854	2.4
79.95719	2.1
81.03430	1.9
83.01376	4.3
85.02946	11.1
86.00076	1.1
87.00866	6.4
89.02441	35.2
93.03430	1.7
95.01394	2.7
96.96003	14.0
97.02948	1.0
98.20634	2.8
101.02447	45.2
103.04018	17.8
107.01389	3.0
109.02985	1.2
111.00880	1.6
111.04481	1.1
113.02436	8.8
115.04006	5.3
119.03500	12.9
123.00887	3.6
124.01643	3.1
125.02447	29.3
127.04004	1.6
131.03497	7.1
137.02444	4.1
139.00337	1.7
139.04001	2.9
143.03503	10.4
145.05046	5.2
149.02379	1.6
149.04436	1.4
151.00311	1.7
151.04030	1.4
157.08800	1.4
159.04524	1.5
161.04605	2.6
161.05965	1.3
163.06120	64.9
164.06429	2.0
165.01941	1.5
168.00665	3.0
169.01431	20.0
170.01741	1.5
179.05597	4.5
180.04204	1.3
187.03975	3.4
195.06580	2.1
199.04050	2.3
201.01886	2.1
203.03551	2.1
205.05241	2.0
205.07158	19.8
213.01962	1.3
215.03435	3.3
216.00636	1.9
227.03455	2.7
231.02905	2.8
232.03076	1.2
235.08057	1.3
241.01260	1.2
243.02924	3.7
247.11868	3.6
255.02924	2.9
259.02631	5.3
265.09299	5.1
271.02377	3.8
285.00186	2.0
287.01895	3.4
289.07028	2.0
301.05627	6.0
313.05600	1.4
315.01428	2.7
315.07251	1.6
327.01486	2.6
337.06845	1.4
347.04999	1.7
391.04434	1.3
393.12781	2.1
393.17651	29.8
394.17868	3.2
409.05765	1.8
417.13751	1.9
453.05087	3.0
453.11008	11.4
453.19498	2.5
454.20096	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.9
59.01383	5.1
61.98840	1.2
66.79754	0.7
71.01392	2.0
71.44991	1.0
75.17231	0.6
78.95939	0.8
80.96501	0.9
93.07261	0.7
96.96017	1.4
98.84468	0.7
109.02983	0.9
111.08166	1.8
121.02879	0.8
122.97562	0.9
123.00889	3.0
123.04585	1.1
124.01665	0.8
125.02438	8.7
137.02457	1.6
139.00427	1.2
139.07556	0.8
145.02972	0.8
147.66707	0.7
151.00381	1.4
151.03998	1.9
152.99597	2.7
153.09190	1.1
165.12854	28.9
166.13214	1.8
167.03458	0.8
168.00801	0.6
169.01384	4.5
183.13896	100.0
184.14218	6.0
209.11797	2.8
225.04018	9.7
225.51010	0.9
227.12881	66.8
228.13194	5.1
255.12291	0.8
285.04004	2.4
288.83246	0.7
301.16489	2.8
435.16516	9.1
436.16574	1.6
453.10614	1.5
453.17542	45.5
454.17886	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	453.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.1
59.01131	0.8
59.01378	4.9
65.00340	0.9
67.01897	1.5
69.03465	2.0
71.01384	7.0
71.53179	1.3
72.99345	0.9
73.02940	1.7
75.00893	1.3
79.01902	1.2
81.03489	1.5
83.01404	2.0
85.02974	2.8
87.00870	1.5
89.02443	2.0
95.01431	3.1
96.95997	1.6
97.02961	1.6
101.02457	3.2
107.01380	10.4
109.02888	1.0
111.00916	3.7
113.02483	4.0
116.91107	1.0
123.00884	23.5
123.01740	1.5
124.01672	24.9
125.02454	61.4
126.02809	2.4
131.03528	2.7
135.03047	3.4
136.98808	2.5
137.02477	2.9
138.03247	3.6
138.05617	1.8
139.00372	10.2
139.04028	12.2
140.01210	5.9
149.02496	1.7
149.04573	10.9
151.00374	11.5
151.04051	3.8
154.95207	1.2
163.00441	3.0
163.04050	1.0
165.02028	2.7
167.03476	1.7
168.00639	9.4
169.01427	60.4
170.01836	2.6
179.03526	1.2
183.03008	5.6
187.04189	1.0
203.03712	0.8
203.12997	0.9
211.02475	5.6
215.03545	1.2
225.04065	1.3
227.03447	0.9
241.03653	0.9
243.03107	1.1
259.02603	1.5
264.36349	1.1
271.02246	1.2
283.04810	2.8
285.06311	1.8
287.02060	1.6
297.06360	1.7
301.05719	10.1
313.05664	9.0
315.01498	1.0
327.07526	2.4
380.04599	0.9
453.10623	100.0
454.10953	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	453.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63283	0.3
59.01362	1.1
64.61103	0.4
69.38939	1.1
69.39368	1.6
71.01376	0.9
72.99310	0.7
78.95901	100.0
85.02931	0.9
87.00906	0.4
89.02434	0.6
90.37563	0.3
96.96033	2.0
96.96963	5.9
99.00874	0.4
105.06357	0.4
110.98529	90.2
111.98868	0.7
112.44047	0.3
113.02422	0.8
129.01909	0.5
149.04500	0.4
157.01436	0.5
169.01384	0.9
187.02516	0.7
241.01149	0.6
336.86942	0.4
341.10953	0.8
453.10214	2.4
454.04507	0.7
454.11435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45466	0.3
58.41208	0.3
59.01371	0.8
62.90430	0.3
63.14950	0.3
70.98872	0.3
71.54096	0.3
78.95901	100.0
85.02952	0.4
87.00874	0.4
89.02449	0.4
94.11237	0.3
96.96026	1.5
96.96953	4.4
110.98528	93.2
111.98900	0.5
119.03517	0.3
131.03510	0.3
152.99553	0.3
157.01440	0.5
169.01410	0.5
187.02515	0.5
247.83350	0.3
341.10837	0.8
453.10123	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	452.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92560	0.4
53.40092	0.3
58.46314	0.3
59.01362	0.5
70.52655	0.3
71.55357	0.7
77.09917	0.4
78.00653	0.5
78.95904	100.0
83.07131	0.4
96.96962	8.1
97.77268	0.3
110.91563	0.4
114.37087	0.3
116.92912	0.4
140.01181	0.5
152.99588	16.1
171.00644	19.7
173.04494	0.4
214.04854	0.6
215.17677	0.3
255.23280	5.9
255.98816	0.4
295.34882	0.4
337.56485	0.5
378.24112	2.0
426.09579	0.4
429.21799	0.4
452.27811	55.8
453.28177	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	452.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.0
59.01385	28.9
61.24084	1.9
61.98832	100.0
69.03462	3.9
70.76913	2.4
70.77237	4.2
71.01396	14.6
72.25394	1.8
73.02952	4.3
75.00890	3.2
79.95747	5.7
80.96517	2.5
83.05033	5.2
85.02935	6.9
87.00883	2.9
89.02454	7.9
96.96016	60.3
98.20548	2.2
99.00865	2.6
101.02466	9.2
107.01359	2.3
107.03528	1.9
113.02449	8.1
119.03483	1.8
119.05056	2.0
121.02939	5.8
123.00898	2.3
125.02424	12.0
137.02464	3.7
139.00385	2.0
145.02943	4.2
149.02477	2.4
151.00325	2.9
161.02493	2.2
161.04501	3.0
169.01451	11.0
177.01857	2.8
183.13892	5.8
196.14496	1.8
215.13000	1.9
227.12935	17.2
237.07936	4.0
250.10579	2.2
254.47342	1.9
276.78738	2.2
301.03506	4.9
310.73965	1.9
317.02908	4.9
331.04938	3.0
368.88666	2.0
371.63815	2.0
373.25946	9.0
452.20255	13.1
453.21417	42.5
464.25842	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	452.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93714	0.5
69.20991	1.3
69.21397	4.7
73.06554	0.7
75.25376	0.7
78.95907	56.9
96.96967	3.9
100.63554	0.6
114.85875	0.6
122.00101	0.7
140.01218	5.0
140.02168	0.9
152.99576	8.8
171.00632	7.6
196.03793	9.7
214.04843	2.4
255.23293	100.0
256.23642	9.8
307.95868	0.6
452.27814	44.8
453.28030	4.4
475.46918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36638	0.5
59.01376	10.5
60.01698	0.5
61.98831	6.7
65.00327	0.7
69.03443	0.8
70.83356	1.2
70.83677	0.6
71.01380	7.8
72.99302	1.1
73.02943	2.0
75.00883	1.5
79.01903	1.3
79.95741	2.3
81.03450	0.7
83.01377	0.7
85.02956	3.7
87.00883	1.6
88.26156	0.6
89.02437	4.8
93.03464	0.7
95.01363	2.8
96.96011	12.6
97.02979	1.5
99.00886	1.1
101.02431	4.8
106.30353	0.6
107.01378	6.7
110.00087	0.5
111.00877	2.9
111.04446	0.6
119.03507	2.5
121.34749	0.5
122.06100	0.6
123.00880	15.2
123.03265	4.8
123.04494	0.8
124.01685	0.6
124.03983	0.8
124.07677	0.7
125.02444	34.1
126.02791	1.5
127.00375	1.2
129.31573	0.6
136.07617	0.8
136.98824	1.1
137.02451	1.2
138.05609	46.6
138.83975	0.6
139.00371	5.6
139.03993	0.6
139.05971	1.7
140.01169	4.4
141.01938	2.4
143.03569	0.6
151.00378	11.9
151.03972	1.0
152.00677	1.2
153.01889	0.8
161.04601	0.6
165.01987	1.0
167.03514	0.9
168.00603	4.6
169.01416	42.2
170.01692	2.6
179.03450	0.6
179.05684	1.0
180.06616	0.9
189.02109	0.9
195.06674	1.2
196.53270	0.7
209.04692	0.8
211.02502	3.2
241.03497	0.9
243.02777	1.0
244.39690	0.6
259.02792	8.5
259.52972	1.5
260.02777	0.7
271.04724	0.8
272.02905	0.8
273.03009	0.9
274.03363	1.3
288.02393	0.7
288.08578	0.6
289.20322	1.1
290.02890	0.6
290.20490	0.9
307.48254	0.6
313.05676	7.2
316.02225	0.7
317.02765	1.3
318.02618	2.6
319.03232	3.9
320.03741	0.6
332.08508	1.0
451.25528	2.0
452.12079	100.0
453.12527	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	452.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72440	1.5
52.49394	1.6
59.01364	6.1
61.98825	19.0
64.86843	1.5
67.06911	1.4
71.01375	9.5
72.99300	2.2
75.00839	1.7
79.01871	2.1
83.01422	1.8
85.02946	3.6
87.00855	1.9
88.04037	1.8
89.02456	2.1
93.16885	1.8
95.01389	5.8
97.02926	2.2
98.20676	2.9
101.02452	5.1
104.22081	1.7
107.01401	10.5
111.00858	4.1
113.02404	4.3
123.00884	20.9
124.01651	21.3
125.02450	58.8
132.02992	2.3
136.98738	2.2
137.02475	4.0
138.05522	2.2
139.00452	9.4
139.04004	8.1
140.01118	5.5
141.01910	4.4
151.00351	19.2
151.03940	1.7
153.01869	2.9
161.04538	2.1
165.05467	1.9
168.00606	9.9
169.01416	75.7
173.07173	2.5
174.07530	1.8
176.79794	2.0
183.03024	3.3
211.02386	3.9
247.02631	1.8
267.09998	1.6
301.05609	3.5
313.05609	12.9
337.11002	1.9
389.10880	98.3
390.11331	9.4
414.19986	1.8
452.13922	6.3
453.10516	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	451.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80691	2.7
66.91987	2.8
71.52210	5.8
78.95924	8.3
96.96002	3.5
110.73287	3.7
110.98514	9.9
120.11232	3.7
135.68451	3.3
167.01118	11.1
179.21838	3.5
184.29939	3.2
274.23236	3.6
283.26422	100.0
284.26752	6.9
321.89850	3.2
451.28302	15.8
452.29507	3.9
466.60379	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	452.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07245	0.4
59.01379	2.4
61.98842	1.3
67.01883	0.7
69.03455	0.8
71.01383	3.9
72.26553	0.3
73.02961	0.8
75.00871	0.4
79.01875	0.7
81.03459	0.5
83.01410	0.9
85.02969	1.5
95.01393	1.3
96.96024	1.4
97.02952	0.8
101.02471	1.6
106.06548	0.4
107.01385	5.2
108.02189	12.8
109.02487	0.7
111.00916	0.8
111.61826	0.3
113.02470	1.8
119.05017	0.4
121.02922	0.4
123.00902	7.0
124.01765	1.9
125.02451	32.0
126.02809	1.6
136.98784	0.7
137.02452	0.4
138.01974	100.0
139.00453	2.2
139.02371	2.7
140.01166	1.3
141.01984	0.5
151.00378	6.1
152.01024	0.4
153.01956	0.7
167.03522	0.8
168.00653	2.4
169.01427	45.5
170.01784	2.5
211.02473	2.5
212.02917	0.8
241.03418	1.2
253.03519	0.4
259.02380	0.5
271.04584	1.5
272.04825	1.0
272.09167	0.4
312.07849	0.6
313.05652	66.5
314.05972	4.7
369.34235	0.5
402.74313	0.4
451.32751	0.9
452.08011	26.6
452.12598	2.6
453.08228	3.6
453.13907	0.5
453.19800	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98422	0.9
57.03445	1.2
57.11945	1.0
59.01380	9.5
61.98826	1.9
69.46938	6.8
71.01382	26.9
73.02953	2.4
83.01409	1.2
85.02949	3.1
88.04044	73.6
89.02457	3.0
89.04395	1.1
98.20643	1.2
98.62986	1.0
99.00874	2.0
101.02438	8.8
113.02470	3.5
114.01962	3.5
115.00378	22.7
125.02445	2.9
130.06628	18.6
132.03030	57.4
133.03394	1.7
137.02396	1.4
146.06154	3.3
156.04524	3.5
156.12474	1.1
169.01419	3.8
173.07196	99.3
174.07567	3.9
200.07179	1.2
201.10225	1.5
205.92616	0.9
229.97990	0.9
240.97238	1.0
243.07799	1.1
245.09212	1.9
267.07254	2.4
271.09665	1.1
292.11920	10.4
335.12482	26.7
336.10693	17.2
337.11407	1.3
373.43408	1.4
407.14566	5.6
421.25876	1.1
433.12573	9.1
434.12811	1.8
451.13596	100.0
452.13843	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	451.1246
Annotation	6'-O-Galloylsalidroside
Peak:m/z	Relative Intensity
55.01851	1.0
55.68722	0.8
57.03447	1.1
59.01377	19.2
61.12617	0.9
61.98832	6.9
67.01875	1.6
67.02953	0.8
68.72308	0.9
68.99821	1.0
69.03439	1.0
71.01379	12.3
71.52866	0.8
72.99300	1.1
73.02946	1.5
73.99775	0.9
75.00877	1.0
75.10189	0.8
79.01886	1.3
83.01393	1.9
85.02940	4.0
87.00867	1.6
89.02441	9.6
93.03422	0.9
95.01392	4.5
96.96003	4.1
96.99258	0.8
97.02934	1.2
99.00848	1.3
101.02442	6.7
107.01400	10.3
107.05073	1.5
107.25867	0.9
108.02182	5.5
109.02959	1.5
111.00867	3.9
113.02449	6.4
119.03474	2.9
119.05000	5.4
123.00889	21.0
123.04485	1.5
124.01673	7.3
125.02445	45.8
125.09672	2.3
125.33315	1.0
127.00385	1.5
136.98816	1.8
137.02448	1.9
137.06027	1.3
138.01973	45.1
138.03070	1.6
138.05537	2.1
139.00366	7.4
139.03976	3.6
140.01183	4.8
141.01927	1.8
149.02318	0.9
150.03192	0.8
151.00354	12.3
152.01076	2.5
153.01930	1.7
154.99846	0.8
161.04568	1.2
167.03510	4.2
168.00620	10.8
169.01422	58.9
170.01778	2.2
173.44572	0.8
187.09735	2.0
209.04538	1.7
211.02475	36.5
212.02863	1.4
233.04587	0.9
241.03470	2.3
271.04575	40.8
272.04980	2.3
311.07660	4.3
313.05634	36.0
331.06735	1.5
406.55841	0.9
428.31390	0.9
433.19000	0.8
451.12390	100.0
451.17200	5.3
452.08185	12.7
452.12750	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	451.1246
Annotation	6'-O-Galloylsalidroside
Peak:m/z	Relative Intensity
53.28642	0.6
59.01379	14.9
61.98811	0.7
67.01893	1.3
69.29636	5.2
71.01375	5.1
72.99299	1.0
73.02937	0.8
79.01886	0.9
83.01405	1.0
85.02933	1.6
89.02465	3.7
93.03458	2.4
95.01391	2.6
97.02973	1.1
101.02443	4.0
107.01405	4.6
108.02156	0.8
109.02945	1.0
111.00867	3.6
113.02450	2.2
119.03514	2.0
119.05048	3.3
122.99992	0.9
123.00890	19.2
124.01668	2.0
125.02449	21.9
126.02757	0.9
127.00375	0.8
135.04500	0.8
136.98833	1.5
137.02440	4.4
137.06145	1.5
139.00357	7.8
139.04013	2.5
140.01173	4.0
141.01955	1.8
141.05885	0.6
151.00374	12.4
151.03928	0.7
152.01093	0.9
153.01926	1.7
154.99934	0.8
161.04593	0.9
167.03458	1.0
168.00658	5.2
168.99979	1.4
169.01427	27.4
169.05070	2.5
170.01768	1.0
190.02737	1.1
211.02475	4.9
233.04497	2.7
243.02940	1.4
271.04510	2.8
281.06647	1.2
313.05725	3.6
314.06015	0.8
349.18552	0.9
362.76910	0.6
407.09943	0.8
451.12549	100.0
452.12906	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	451.1245
Annotation	Sieboldin
Peak:m/z	Relative Intensity
57.03459	0.3
59.01379	3.7
61.98830	4.7
63.40930	0.4
69.03454	0.5
70.05112	1.2
71.01390	1.7
72.21677	0.3
72.99294	0.5
73.02950	0.3
75.00885	0.4
83.01405	0.3
85.02959	0.8
89.02448	1.3
95.01366	0.5
96.96004	1.6
97.02976	0.6
101.02452	1.2
107.01382	0.7
109.02939	0.5
113.02460	1.2
119.03519	0.6
123.00892	2.8
123.04522	0.3
124.01662	10.2
125.02446	100.0
126.02782	3.6
137.02441	1.1
139.00386	0.9
139.03963	0.3
151.00357	3.3
151.03940	0.3
153.01912	0.5
167.03528	0.7
168.00735	0.3
169.01405	1.9
179.05568	0.4
192.29694	0.3
194.42705	0.3
215.03345	0.3
242.02255	0.3
243.02896	1.2
271.02490	0.8
271.06271	0.5
272.02734	0.9
273.03024	1.4
287.02112	0.6
287.05554	1.9
287.08420	1.9
288.02878	0.5
288.06323	5.4
289.02350	1.0
289.07169	27.8
290.07501	2.7
316.02246	1.9
317.02615	2.4
318.02789	4.8
319.03638	1.1
388.13416	0.5
451.12585	45.3
452.06900	0.4
452.12866	5.4
452.18997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1242
Annotation	Curculigoside B
Peak:m/z	Relative Intensity
53.50179	0.7
57.03438	3.1
59.01373	2.1
65.00323	0.9
65.26070	0.6
70.30094	0.8
70.30442	2.6
71.01363	0.9
73.36317	0.8
75.00872	1.0
81.03461	6.6
83.01382	9.7
83.69311	0.7
88.50053	0.6
93.03476	0.9
96.96026	1.8
99.00869	0.7
99.04519	0.8
109.02956	6.8
111.87634	0.7
114.14196	0.7
121.02969	1.6
123.04530	37.1
124.04837	0.9
125.02447	41.4
126.02751	1.7
135.04521	3.1
139.11319	1.8
145.02924	1.4
149.02429	2.3
151.00380	3.1
163.03981	0.9
167.03493	100.0
168.03818	4.3
177.02039	0.9
179.03516	3.1
187.04089	1.0
189.01958	3.1
191.03473	2.6
201.11302	2.2
203.07155	0.8
217.01413	2.8
217.38818	0.7
225.80304	0.7
227.07158	1.0
233.04677	0.8
245.08209	2.3
256.03433	0.7
257.03534	1.0
271.06213	5.9
272.02948	1.1
273.03110	2.7
274.03503	1.5
289.07175	76.0
290.07471	6.1
300.02808	1.1
301.03238	1.9
302.03329	5.8
303.03900	4.9
304.03955	5.3
305.04541	2.7
311.05566	1.1
313.06729	0.8
341.06592	1.5
357.06192	1.3
396.89545	0.7
451.10373	8.0
451.18073	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	451.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	13.2
58.53139	1.6
59.01378	21.3
61.98558	1.3
61.98831	11.0
65.33266	1.3
66.31317	1.6
69.46401	4.9
69.46832	5.9
71.01396	7.7
72.99313	2.2
73.02956	2.1
75.00870	1.4
79.95721	1.7
81.03447	3.2
83.01373	6.3
85.02934	5.1
89.02433	1.9
89.84741	1.5
93.03474	8.8
95.01372	2.9
95.05002	2.3
96.96019	54.4
97.02951	1.8
99.00895	1.8
101.02428	5.6
105.03455	2.0
108.02173	1.6
109.02959	12.6
111.04506	2.6
113.02422	4.1
117.03465	7.1
119.03548	1.7
119.05031	21.1
121.02917	4.3
123.00866	3.9
124.01629	3.2
125.02448	100.0
126.02727	2.8
133.02881	2.0
135.04501	5.0
137.02441	48.2
138.03206	1.6
139.04027	11.1
145.02943	19.9
146.03220	2.2
147.04549	2.6
151.00325	4.4
151.03929	2.0
152.01071	4.7
153.00742	2.4
161.02467	21.1
161.04544	4.5
163.04015	12.7
164.01128	3.3
165.01927	31.2
166.02310	1.5
167.03508	13.7
169.01418	4.6
175.04018	2.7
177.01920	8.4
177.05528	4.5
178.02451	1.9
179.03513	11.6
185.06145	1.5
189.01955	12.1
191.03384	2.5
198.66264	1.5
203.03481	3.0
217.01405	15.5
219.06627	6.9
221.04485	2.9
229.04956	1.5
241.05042	3.1
269.04578	4.4
269.08170	12.8
281.08197	7.5
281.10928	1.6
281.58594	1.8
283.06018	1.7
285.07541	7.9
287.05585	6.2
288.06046	2.2
289.06281	2.9
305.06644	62.9
305.10159	3.4
306.07019	7.7
311.05621	8.0
325.07181	5.1
357.06165	15.1
391.23257	3.6
451.10678	18.2
451.20047	41.1
452.11597	2.5
452.20258	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1032
Annotation	Epigallocatechin 3-O-p-coumarate
Peak:m/z	Relative Intensity
55.44514	0.5
57.03450	13.4
59.01383	9.0
61.98824	2.5
67.01854	0.5
69.03445	0.6
71.01381	2.6
71.24221	0.8
73.02940	0.6
81.03461	1.5
83.01385	6.5
85.02959	1.7
87.00898	0.8
89.02436	1.2
93.03466	2.6
95.01386	0.9
95.05032	1.6
96.95996	3.5
97.02941	0.6
99.00889	1.2
101.02454	1.7
105.03446	3.8
107.01402	0.8
108.02176	1.5
109.02939	4.6
113.02450	1.7
117.03497	2.1
119.03623	0.6
119.05023	14.4
120.05388	1.0
121.02985	0.7
123.00874	2.1
124.01637	1.1
125.02445	100.0
126.02755	3.3
133.02963	1.3
135.04523	1.7
136.04857	0.6
137.02440	21.5
138.02782	0.7
139.00427	0.8
139.04002	3.5
145.02954	4.6
149.02480	1.1
151.00339	1.6
151.03961	1.2
152.01120	1.5
153.01933	1.3
159.04494	1.2
161.02444	34.9
162.02896	2.2
163.04001	15.5
164.01180	1.2
164.04311	0.6
165.01924	5.0
167.03503	4.0
169.01398	4.0
173.06030	0.6
175.03957	1.3
176.04541	0.6
177.01935	2.0
177.05583	4.1
179.03482	3.1
187.03943	1.0
189.01929	3.2
197.06059	1.0
201.05623	1.8
203.03543	1.0
217.01414	4.0
219.06633	3.2
220.58505	0.6
221.04538	0.9
229.05046	0.6
231.02846	0.6
243.06595	1.3
261.07672	0.7
269.04611	3.7
269.08197	6.8
270.08353	0.7
281.08228	1.4
285.07617	0.8
287.05597	8.0
287.08566	0.8
289.07159	0.7
303.37735	0.5
305.06647	15.8
306.06897	1.5
311.05667	3.2
313.05362	2.6
315.06113	0.7
326.07932	0.7
357.06049	3.5
391.23471	1.9
451.10504	6.7
465.21335	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84800	0.8
54.07756	0.8
54.37409	0.9
59.01380	6.1
61.98827	6.3
62.05097	0.8
68.67309	0.9
69.03455	1.6
69.29929	7.6
69.46016	0.9
71.01367	1.9
81.03455	2.6
82.35217	0.9
83.01411	1.1
85.02940	1.2
89.03938	1.1
91.01874	0.9
93.03469	12.0
96.96011	1.6
96.97424	0.8
97.02953	1.2
109.02953	35.5
111.04527	9.0
113.02419	1.0
117.03443	4.4
119.05038	2.9
121.02979	1.7
123.00887	2.5
123.04549	4.6
124.01665	2.5
124.59949	1.0
125.02453	29.8
133.02956	5.7
134.65445	0.9
137.02432	4.5
139.04005	24.2
139.11287	2.2
145.02953	8.7
147.04510	3.3
149.02400	1.7
151.03967	1.8
159.04468	1.6
161.02425	3.9
161.06059	1.5
162.03268	1.0
162.51324	1.0
163.00301	1.3
163.04001	1.8
165.01915	1.7
166.02724	1.4
167.03490	13.4
175.04007	1.1
176.01103	1.9
177.01929	42.3
178.02283	2.9
179.03462	3.0
187.04004	2.3
189.01921	76.9
190.02493	7.7
191.03474	6.3
201.11317	1.7
203.01671	1.2
203.03421	6.7
216.00610	10.3
217.01404	87.7
218.01834	5.9
219.02989	8.5
219.06390	1.4
221.04510	1.6
229.05022	2.8
231.02975	12.9
233.04527	5.1
239.07132	1.1
241.05063	8.8
255.06665	1.9
267.02991	1.0
269.04581	9.2
271.06177	7.1
272.06516	1.0
280.03683	1.0
281.04428	1.1
283.06140	12.0
287.05573	3.4
289.07068	2.0
295.06097	1.4
297.04129	1.6
303.03693	1.3
305.06677	6.7
310.04874	1.3
311.05591	59.5
312.05930	5.9
313.07162	2.6
325.07108	3.6
339.04910	1.3
341.06650	17.9
342.07224	1.4
357.06134	100.0
358.06506	8.6
362.74548	1.0
433.08939	1.5
445.65149	1.0
451.10345	65.2
451.18088	3.7
452.10645	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	451.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.4
58.07212	1.0
59.01382	17.9
61.98833	31.6
65.00321	1.8
66.63987	1.1
67.01891	1.8
69.03457	2.4
71.01385	15.0
71.54429	1.3
72.99309	1.9
73.02954	4.5
75.00884	2.2
77.84025	1.0
79.01891	1.2
79.64560	1.0
81.03482	1.9
83.01402	3.3
85.02965	8.4
87.00893	1.7
88.98808	3.7
89.02441	7.2
93.03463	55.4
94.03786	1.9
95.01382	2.3
96.96021	2.9
97.02948	1.8
99.00878	2.0
101.02441	6.0
107.01391	11.0
108.87135	1.1
109.02930	1.4
111.00887	3.5
111.85250	1.0
113.02435	7.1
119.03552	1.3
123.00886	12.4
125.02451	65.1
126.02775	2.0
136.98775	2.0
137.02446	100.0
138.02808	4.2
139.00362	5.4
139.04012	13.0
140.01096	2.7
141.01993	2.1
143.03479	1.2
151.00386	17.4
151.03937	1.5
153.01921	1.1
161.04584	1.7
163.03923	1.6
167.03505	2.6
168.00638	4.4
169.01428	90.2
169.05043	16.9
170.01822	3.4
193.01559	1.4
197.71785	1.2
211.02490	2.9
212.10596	1.1
237.03998	7.8
241.03566	2.6
271.04645	1.4
281.06628	5.8
283.51810	1.1
299.07745	4.3
313.05655	70.7
314.05792	5.0
331.10043	1.2
407.09808	12.2
448.91119	1.2
451.08078	36.4
451.13654	4.9
451.25613	3.1
452.09329	4.7
458.22498	1.1
463.42758	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03421	1.8
58.00594	1.1
59.01382	17.3
61.70604	1.2
61.98828	29.2
65.00296	1.4
69.03450	1.5
70.21632	4.3
71.01388	15.9
72.99311	2.5
73.02948	3.5
75.00854	2.4
77.37299	1.0
79.01954	1.2
83.01384	3.2
85.02962	7.6
87.00876	1.8
88.98799	4.0
89.02451	4.7
93.03458	57.5
94.03786	1.8
95.01405	2.6
96.95998	1.6
99.00855	2.5
101.02442	7.4
107.01386	11.1
108.04510	1.2
111.00896	2.5
113.02439	6.5
119.03493	2.4
123.00899	13.7
124.01692	1.4
125.02446	77.6
126.02765	1.7
135.04562	1.6
137.02444	100.0
138.02725	5.3
138.05611	1.8
139.00388	6.8
139.04012	14.5
140.01144	3.8
141.01901	1.3
151.00357	17.6
161.04585	2.5
165.01897	1.6
167.03503	3.4
168.00662	4.9
169.01422	99.2
169.05060	17.9
170.01759	3.1
179.03377	1.5
211.02512	2.0
237.04056	9.2
241.03511	2.8
281.06644	5.0
299.07672	9.6
306.05157	1.3
313.05640	72.4
314.05933	5.9
331.10318	2.1
407.09973	10.4
408.10101	1.5
411.17392	1.5
437.00122	1.0
451.08005	40.2
451.13446	6.1
451.18405	3.1
451.25577	4.0
452.09286	4.5
452.11850	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	450.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.7
57.10575	0.6
59.01381	6.8
61.98830	100.0
63.50510	0.4
71.01380	2.0
71.52384	0.5
73.02929	0.8
83.01401	1.0
85.02969	1.3
85.07185	0.5
88.98814	2.1
89.02459	1.0
93.03471	2.1
95.01418	0.6
96.96017	0.8
97.55579	0.5
99.00867	0.6
101.02454	1.4
102.85738	0.5
107.01388	1.4
108.04552	1.0
112.86626	0.7
113.02450	1.5
123.00917	1.4
124.01692	0.9
124.25330	0.5
125.02456	9.3
135.04556	0.6
137.02422	3.7
138.87625	0.5
139.00398	1.0
139.04182	0.6
141.01901	0.6
146.27029	0.5
150.32539	0.4
151.00340	2.7
154.49451	0.4
157.75285	0.6
161.04607	0.8
168.00693	0.6
169.01424	12.4
169.02831	0.8
197.79100	0.5
232.44922	0.6
237.04106	1.2
313.05695	3.1
384.96252	0.5
399.59412	0.7
450.11093	1.5
451.13367	5.9
451.18524	0.8
451.25659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2756
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01867	1.2
57.03451	1.1
58.17601	0.4
58.61406	0.5
59.01104	0.9
59.01382	14.6
61.98832	4.2
62.33932	0.5
71.01385	9.2
71.55097	0.8
72.99289	1.2
73.02937	3.5
79.01846	0.5
79.95712	0.6
83.01394	3.2
83.03592	0.5
85.02962	4.9
87.00880	2.3
89.02457	2.3
95.01390	1.7
96.96015	4.7
97.02962	0.9
99.00883	2.0
101.02457	6.7
102.45088	0.5
111.00877	1.2
113.02431	3.7
113.16842	0.5
123.00848	0.7
124.01704	0.7
124.07676	2.4
125.02443	7.5
126.02766	0.6
139.00409	0.5
139.03946	0.6
151.00345	0.5
161.04562	0.7
169.01428	8.0
178.05099	0.9
213.14989	1.2
243.14990	1.0
269.21204	1.7
285.20703	0.6
287.14023	10.3
287.22272	22.1
288.14362	0.8
288.22607	2.3
312.09512	0.7
316.02411	0.7
325.63077	0.6
329.15039	1.4
343.46777	0.5
389.21591	0.7
431.26382	4.4
449.07425	2.2
449.27548	100.0
450.27881	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	449.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13105	0.4
53.59059	0.4
61.98809	0.7
63.19567	0.5
69.92806	1.3
69.93191	0.9
75.62414	0.5
78.95903	11.6
80.71201	0.4
94.99055	0.5
96.96001	1.3
98.20584	0.8
110.98537	9.6
110.99226	0.4
117.52006	0.4
152.99561	1.3
167.01141	11.3
178.72044	0.5
185.02235	3.0
189.77110	0.5
281.24847	100.0
282.25183	10.0
449.26593	15.8
450.27197	2.3
468.91946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03443	1.5
58.00594	0.4
59.01383	13.4
61.98831	5.3
69.03484	0.6
69.13568	0.4
71.01384	8.9
71.56103	0.7
72.99307	1.4
73.02951	2.9
81.03459	0.4
83.01379	2.9
85.02947	5.2
87.00888	1.8
88.04015	0.5
89.02457	2.5
93.05577	0.4
95.01371	1.0
96.96009	2.3
97.07422	0.4
97.19028	0.4
99.00883	1.5
101.02450	6.3
111.00854	1.1
113.02446	3.4
119.03536	0.5
124.01617	0.5
124.07679	1.5
125.02436	3.0
137.02437	0.7
146.36710	0.4
161.02484	0.5
169.01485	2.0
184.89243	0.4
269.21219	1.3
273.03021	0.5
285.20709	0.9
287.09232	0.5
287.13977	3.5
287.22269	23.8
288.14243	0.6
288.22604	2.5
329.23434	0.6
371.66873	0.5
398.73422	0.5
431.26511	4.3
432.27124	0.9
449.27557	100.0
450.27914	14.3
450.34274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76536	0.4
59.01370	0.7
60.73911	0.4
61.98833	1.1
77.28319	0.3
78.95904	72.9
96.96008	0.4
96.96957	5.4
108.69577	0.4
125.02422	0.9
135.04524	0.4
136.89549	0.4
150.98027	1.6
152.99585	100.0
153.99913	1.1
161.02423	1.8
169.01460	0.8
171.00659	2.6
190.68904	0.4
295.22763	0.9
316.02353	0.6
373.16150	0.4
449.23038	20.4
450.23444	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88497	1.4
55.01883	2.8
57.03435	2.9
59.01379	100.0
60.01703	1.5
61.98829	15.4
66.53638	1.3
71.01380	43.6
71.54188	1.6
72.99304	2.4
73.02951	12.2
75.00871	2.2
79.01867	1.5
79.95715	1.5
83.01385	7.8
83.05056	1.6
85.02944	17.7
87.00867	4.6
89.02447	30.4
95.01380	4.0
96.96012	14.4
97.02926	2.0
99.00868	4.0
101.02446	32.0
107.01395	2.5
109.02948	1.9
111.00885	1.9
113.02447	22.2
119.03477	9.4
119.65810	1.4
123.00892	3.6
124.37576	1.3
125.02445	18.7
125.09716	6.2
126.02809	1.3
130.30270	1.3
135.04527	4.0
137.02412	2.4
139.00365	2.1
143.03477	3.3
151.00366	5.8
151.03998	2.4
159.02969	3.5
161.02422	1.6
161.04552	25.6
165.12888	1.5
167.03464	2.2
168.00752	1.4
169.01410	18.1
169.05177	1.9
169.12326	1.8
174.09351	1.3
177.01929	2.6
179.05624	4.5
183.13940	6.0
220.02936	1.4
227.13016	1.6
227.16539	6.9
227.67355	1.6
271.02295	2.1
272.03079	1.5
273.02805	1.9
285.04077	1.8
287.05289	2.4
287.22293	3.1
301.03113	2.1
301.16656	3.1
301.19925	1.4
302.03406	3.2
303.03931	2.1
313.05618	9.2
316.02078	2.6
330.67502	1.6
389.16776	2.5
389.21768	44.9
389.26590	3.1
390.22342	7.9
449.10590	11.0
449.18671	5.2
449.23914	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	449.1498
Annotation	Suvorexant
Peak:m/z	Relative Intensity
51.02452	0.8
59.01382	2.0
61.98821	1.1
62.96410	25.7
70.65738	2.8
78.95901	63.3
80.97469	33.1
91.69035	0.9
110.29844	0.8
123.00848	1.0
125.02445	1.8
130.66162	0.8
135.04538	2.8
149.00098	15.1
151.00441	1.1
152.99577	2.7
161.02388	4.2
169.01361	2.0
172.98994	1.2
179.01126	2.1
205.15955	10.2
242.98357	6.2
285.12811	1.5
286.26202	0.8
302.03204	1.1
316.01895	1.9
355.16812	18.3
356.17319	1.5
367.81485	0.8
385.17801	25.0
386.18271	1.7
397.14096	0.9
410.76004	0.9
449.14990	100.0
450.15414	11.7
465.20703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.2
61.98849	1.0
70.59803	1.7
78.95900	78.7
96.95994	1.0
96.96950	5.8
106.73665	0.6
116.92810	0.6
125.02422	0.6
135.04524	0.7
150.98016	2.1
152.99579	100.0
153.99927	1.8
154.99966	0.6
158.68379	0.5
161.02409	1.8
162.49872	0.5
169.01363	1.5
171.00662	3.1
172.01237	0.5
188.49783	0.5
198.90428	0.5
208.59409	0.5
248.90175	0.6
295.22705	0.9
316.01883	0.6
316.75226	0.6
449.23016	19.3
450.23331	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	449.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.4
57.03445	0.5
58.00591	0.6
59.01380	7.7
67.01875	0.9
71.01376	6.2
71.31020	1.0
72.99295	0.5
73.02959	0.9
79.01894	1.1
79.62342	0.5
83.01376	1.5
85.02954	1.9
87.00854	0.7
89.02451	3.5
95.01398	2.4
97.02927	0.6
99.79623	0.5
101.02436	3.7
107.01395	6.2
109.03039	0.5
111.00903	1.2
113.02427	2.4
119.03523	0.6
123.00885	13.8
124.01675	1.7
125.02444	21.5
126.02783	0.8
135.04539	0.6
135.06630	3.0
136.98811	1.2
139.00356	4.6
139.03967	0.6
139.28093	0.5
140.01154	2.7
141.01906	1.9
151.00351	10.0
153.01938	1.1
156.72382	0.5
165.01906	0.5
167.03522	0.7
168.00630	3.6
169.01413	33.3
170.01717	1.8
180.97911	0.5
181.05136	0.6
211.02452	5.5
271.04565	9.1
313.05600	3.5
378.17969	0.5
449.12967	100.0
450.13376	10.2
467.35626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51919	0.5
54.00540	0.6
55.01884	0.5
59.01379	11.3
60.76167	0.5
61.98811	1.6
64.08392	0.5
70.00217	1.1
70.00620	1.1
71.01376	7.6
72.99310	1.0
73.02940	1.3
75.00863	0.9
79.01864	0.6
80.96518	0.7
83.01389	1.4
85.02956	2.9
87.00883	1.0
89.02457	4.9
94.09762	0.6
95.01385	2.0
97.02961	0.7
101.02442	4.0
107.01398	6.4
109.02915	0.7
110.00110	0.6
111.00867	1.7
113.02459	3.7
119.03477	1.1
119.60216	0.5
121.02870	0.6
123.00893	13.8
124.01671	1.6
125.02450	33.0
126.02776	1.9
135.06635	1.1
136.98773	1.6
139.00333	4.0
139.03992	1.1
140.01122	2.4
141.01898	1.3
145.02997	0.5
151.00388	10.0
151.03987	0.8
152.00629	0.5
153.01894	0.7
160.01741	0.5
161.04533	1.0
165.01915	0.7
167.03470	1.5
168.00647	4.1
169.01433	37.3
170.01791	1.2
176.24051	0.5
177.01941	0.6
179.03513	0.8
191.03462	0.6
211.02470	7.3
212.02834	0.8
243.02914	1.2
259.06061	1.3
267.07135	0.7
271.04565	9.8
272.04996	1.5
288.08829	1.6
301.12805	0.7
313.05698	4.0
331.06595	0.7
387.09280	2.2
449.12973	100.0
450.13376	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	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	12.3
59.01099	1.6
59.01380	24.2
60.01701	1.5
61.01807	1.5
61.98828	25.4
65.00305	5.3
65.67200	1.1
69.41165	5.5
69.41587	2.6
69.54559	1.1
70.21365	0.9
71.01378	5.1
72.99290	1.2
75.00851	1.5
81.03455	3.3
83.01384	8.2
85.02947	2.1
89.02442	3.4
93.03458	5.4
95.01395	1.5
96.96030	1.0
97.02950	1.3
98.19882	1.9
99.04554	1.7
101.02450	2.3
102.79301	1.0
107.01400	6.7
107.05035	2.3
108.02205	1.1
109.02963	3.5
111.00897	1.2
111.75347	1.0
113.02407	2.6
115.43735	0.8
117.03458	1.5
121.02997	8.9
123.00871	1.0
123.04533	1.7
124.01640	2.1
125.02445	100.0
126.02788	4.1
133.02972	2.0
135.04543	2.7
137.02452	5.5
139.04012	1.4
149.02441	9.8
151.00356	23.6
152.01158	4.9
153.01892	8.5
157.06548	1.6
158.03731	1.4
159.04506	1.4
163.00320	2.5
163.04114	1.1
165.01921	24.3
167.03539	2.5
169.01447	6.8
173.06104	2.9
175.03978	1.4
176.01158	1.5
177.01917	2.6
177.05553	2.5
178.98404	2.0
178.99858	16.5
179.03508	7.1
181.06659	1.1
190.13077	1.1
197.06049	3.2
199.03922	1.2
199.07895	1.1
201.05574	3.9
215.07143	3.3
218.12883	1.0
225.05568	3.5
228.24359	1.4
241.05052	3.6
243.06659	4.7
259.06100	95.5
260.06461	7.1
269.04550	90.8
269.07538	2.1
270.04877	7.5
287.05603	46.8
288.05957	3.8
303.22052	1.1
311.05594	2.8
342.05902	3.9
345.49969	1.3
406.21454	1.3
421.11575	3.5
431.09735	2.5
449.10892	61.4
450.11182	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	449.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59175	0.4
57.03187	0.4
57.03451	1.4
59.01381	38.3
60.01714	1.4
61.01807	1.1
61.98830	27.3
67.01888	0.7
69.03459	0.7
71.01387	6.7
71.30920	0.5
71.31244	0.5
72.99317	1.1
73.02953	1.7
75.00876	1.1
79.01895	0.7
81.03437	0.6
83.01388	1.6
85.02953	3.0
87.00900	1.1
89.02432	4.2
93.03468	1.1
95.01389	1.0
95.05016	0.6
96.96030	1.1
97.02982	0.7
99.00890	0.9
99.04532	0.6
101.02438	3.8
104.20417	0.4
105.35716	0.4
107.01389	5.8
107.05011	0.8
109.02962	0.7
111.00891	1.1
113.02454	3.3
114.02731	0.5
119.03502	2.0
121.02960	1.4
123.00874	6.1
123.04520	1.1
124.01693	1.0
125.02450	36.9
126.02810	1.4
134.03757	2.3
135.04526	100.0
136.04868	4.1
137.02432	1.9
139.00380	1.7
139.04065	0.7
140.01135	1.2
141.01924	0.5
143.03493	0.8
145.05135	0.4
147.04489	0.4
149.02452	1.4
150.03130	0.8
151.00377	5.3
151.04021	0.4
152.00839	0.4
153.01981	1.1
159.04485	0.5
161.02493	0.5
161.04567	1.9
163.06421	0.4
165.01915	1.5
165.05499	0.8
166.02264	0.4
167.03526	1.2
168.00641	1.8
169.01425	36.3
170.01776	1.8
177.01924	1.8
178.02328	0.7
178.99832	1.1
179.03439	0.6
179.05650	1.1
193.01445	0.6
211.02507	0.8
223.02428	0.6
227.16486	0.5
243.06778	0.7
253.03513	0.4
259.06119	5.0
269.04553	5.1
286.04684	0.7
287.05688	3.9
289.07013	0.4
297.09763	4.3
313.05649	25.9
314.05972	1.8
342.05957	0.4
360.38416	0.4
389.22040	1.3
401.15979	1.0
407.21869	1.3
417.11472	0.5
449.10861	50.2
449.15747	2.0
450.11127	8.4
450.17047	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1091
Annotation	Aromadendrin 3-galactoside
Peak:m/z	Relative Intensity
57.03451	4.9
59.01379	33.6
60.01698	1.0
61.98831	16.9
63.02401	9.8
65.00327	12.3
70.58422	1.6
71.01382	18.9
72.99300	1.6
73.02953	4.8
76.91656	0.9
81.03443	1.1
83.01379	10.8
85.02947	7.8
87.00826	1.2
89.02438	8.4
90.44293	0.9
93.03468	2.1
95.01370	2.1
96.96034	1.2
97.02963	1.6
99.00888	1.7
101.02453	12.2
107.01392	17.6
109.02945	1.6
111.00886	1.3
113.02427	8.2
117.03448	3.3
118.02034	1.1
119.03512	3.1
119.04990	1.2
123.00865	1.9
123.04510	1.3
124.01655	7.1
125.02444	26.6
126.02775	2.2
134.03719	2.6
135.04559	5.4
137.02400	3.0
139.00342	1.9
143.03464	1.5
145.03032	0.9
149.02460	1.1
151.00366	60.8
152.01157	37.0
153.01686	1.1
155.10838	1.1
159.02994	2.1
159.04437	1.0
161.04553	10.4
163.00363	1.1
167.03455	2.1
169.01407	9.3
173.06062	0.9
177.01930	4.6
177.05583	1.0
178.02267	1.5
178.99857	28.5
179.05559	1.4
180.00374	2.0
187.07423	1.0
197.06062	2.4
214.02612	1.5
225.05525	3.3
227.16576	2.1
242.02269	0.9
243.02718	1.4
259.02493	2.1
259.06039	4.6
269.04544	100.0
270.02002	1.6
270.04865	8.3
271.02469	12.2
286.04776	3.2
287.01917	6.7
287.05548	3.9
289.07211	1.8
316.02237	30.8
317.02936	4.8
389.21829	19.6
390.22049	2.6
449.11542	46.4
449.24420	1.5
450.11819	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	449.0726
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
56.79979	0.4
59.01379	6.1
61.98825	4.9
63.02401	0.9
65.00327	0.6
71.01382	1.7
73.02940	0.5
81.03469	0.4
83.01381	0.6
85.02940	1.1
89.02451	0.7
95.01391	0.4
96.96062	0.5
101.02425	1.1
107.01373	2.3
109.02931	1.4
111.00943	0.4
113.02457	1.3
119.03535	0.4
124.01661	3.3
125.02470	4.8
135.00914	0.7
135.04439	0.5
136.01665	0.7
137.02451	2.9
138.15292	0.4
141.09123	0.4
148.01712	0.7
151.00354	8.1
152.01068	1.5
152.61844	0.4
161.04517	0.9
163.00381	1.7
164.01158	1.9
169.01445	2.5
174.03220	0.5
177.01892	1.0
178.99834	9.0
187.04057	0.9
189.02028	0.4
192.00569	0.7
193.01443	0.6
198.03178	0.5
199.04062	0.5
203.03476	1.5
206.02127	0.4
214.02725	7.6
215.03471	1.2
217.01395	0.4
227.03423	1.0
229.27020	0.4
231.02956	1.0
232.03601	0.6
242.02187	6.9
243.02956	4.8
244.03458	0.6
259.02441	8.5
260.02893	0.9
261.04053	0.5
269.04532	1.3
270.01651	6.9
271.02457	42.7
272.02792	2.8
287.01962	24.3
288.02493	2.9
315.01358	0.5
316.02216	100.0
317.02869	29.7
318.03345	1.8
329.06836	0.4
389.21686	0.6
449.07193	55.0
450.07602	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	449.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10794	0.4
57.03493	0.7
59.01135	1.2
59.01452	12.1
61.32577	0.5
61.98559	0.8
61.98904	7.9
63.02480	1.3
65.00412	1.5
67.88966	0.5
70.00760	2.0
71.01468	3.9
72.34090	0.4
73.03034	1.5
76.60679	0.5
83.01480	1.6
85.02962	2.3
87.00983	0.6
89.02536	2.7
95.01466	0.6
96.96074	0.9
97.03040	0.7
99.00977	0.9
101.02438	2.1
107.01390	3.4
109.03020	0.9
113.02474	2.3
119.03645	0.5
121.03069	0.6
123.01004	1.4
123.04596	0.6
124.01667	2.9
125.02455	8.3
126.02837	0.9
135.00931	0.8
135.04622	1.0
136.01781	0.7
137.02480	3.1
141.09314	0.6
143.03613	0.6
149.02554	0.7
151.00383	10.8
152.01170	4.4
155.10869	1.2
159.04646	0.5
161.02521	0.6
161.04604	3.1
163.00500	1.4
164.01268	1.9
165.01944	0.7
167.03578	0.5
169.01437	4.4
170.01810	0.6
175.04054	0.7
177.01936	2.9
178.99855	8.6
179.01244	0.5
180.00381	0.5
187.04071	0.9
193.01495	1.3
194.35248	0.5
203.03683	1.1
214.02715	6.5
215.03264	0.8
227.03574	1.6
231.03130	0.6
232.03796	0.6
242.02180	5.1
243.02960	3.6
244.03474	0.8
259.02463	9.0
260.02884	0.5
269.04568	8.3
270.01764	7.2
270.04669	0.9
271.02487	37.3
272.02798	3.6
287.01984	22.8
287.05222	0.8
288.02472	3.3
289.07056	0.7
297.06305	0.5
315.01514	0.6
316.02234	100.0
317.02856	23.5
317.06027	0.5
318.03476	1.1
339.07883	0.5
389.21906	3.1
449.07028	48.7
450.07343	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	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.1
59.01381	100.0
60.01715	8.0
61.01815	1.3
61.98831	93.5
67.01900	0.7
69.03439	1.0
69.43640	5.1
71.01382	11.0
72.99320	1.3
73.02953	2.8
74.89944	0.7
75.00869	1.4
77.98491	0.6
81.03460	0.7
83.01392	2.2
85.02953	3.7
86.03254	0.9
87.00879	1.3
87.05923	0.6
89.01923	1.2
89.02442	14.3
90.02787	1.7
91.32410	0.6
93.03448	1.8
95.01397	1.6
96.95982	1.0
97.02922	1.2
99.00847	1.1
101.02446	7.1
102.02765	0.9
107.01391	3.3
107.04994	0.7
109.02934	2.3
111.00844	1.0
113.02422	5.0
114.02728	0.7
115.00474	0.6
119.03487	5.8
119.04978	0.7
120.03804	1.0
120.86627	0.6
121.02924	2.1
123.00852	3.9
123.04542	1.2
124.01639	1.1
125.02448	37.9
126.02723	2.3
131.03445	0.8
133.01495	1.4
135.04524	26.3
137.02383	3.0
139.00386	1.6
139.03981	1.8
140.01108	1.2
143.03424	1.2
149.02390	2.0
150.04179	1.8
151.00383	4.1
151.03934	2.7
153.01845	1.1
161.02400	1.0
161.04565	4.1
165.01868	2.3
167.03471	4.2
168.00584	1.2
169.01425	25.8
170.01714	1.5
175.03984	1.4
177.01915	7.0
178.99759	1.2
179.05515	5.2
180.05815	2.0
187.03983	0.7
189.01843	1.0
193.01318	1.3
195.45728	0.7
199.03865	1.1
201.71320	0.6
205.04927	0.6
237.74329	0.7
243.02960	4.1
255.02838	1.3
259.06070	7.5
269.04547	6.9
287.05634	4.8
289.06949	1.9
297.09476	1.5
303.04877	1.1
305.06586	0.9
313.05658	7.5
319.04129	0.8
388.20084	1.2
389.21228	2.4
394.73215	0.8
401.15402	0.7
406.21609	6.2
407.07190	1.1
448.14633	6.3
448.21826	2.6
449.10837	20.9
449.16153	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	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
59.01380	47.4
59.53759	0.8
60.01718	5.5
61.01811	2.1
61.98832	100.0
63.90480	0.7
71.01380	5.9
71.22316	1.3
71.22658	1.2
71.28440	0.9
73.02950	2.1
75.00872	1.5
83.01381	1.6
85.02931	2.6
87.00871	4.4
89.02446	3.4
93.03469	1.1
95.01347	0.8
96.96027	2.1
101.02434	2.0
107.01403	1.3
108.86443	0.8
109.02979	2.0
113.02444	1.7
119.03548	1.6
121.02978	4.2
122.03286	2.1
123.00883	1.2
123.04519	1.4
124.01665	1.0
125.02452	26.0
126.02783	2.3
137.02440	2.8
137.09706	1.1
139.04082	0.8
146.08202	1.0
149.02483	1.1
151.00356	1.2
151.04012	2.3
155.10768	2.3
161.04576	1.8
165.01936	1.3
167.03548	3.1
169.01422	7.9
177.01936	7.6
225.14972	1.1
226.15329	2.3
227.03470	5.3
228.03844	10.0
255.03023	7.1
256.03409	12.4
257.03802	2.1
271.06171	1.1
284.03320	5.3
285.03690	14.0
286.04358	4.1
289.07184	4.0
300.09454	1.0
303.05042	1.8
312.66623	1.1
315.11942	1.1
319.04510	1.3
330.14218	2.9
342.14368	1.8
388.20493	1.3
407.07407	2.1
448.09702	20.1
448.16116	1.4
448.18637	1.2
449.10443	1.5
449.16470	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	448.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03438	2.3
59.01379	37.4
60.01699	2.4
61.98828	100.0
71.01379	11.7
72.01727	1.5
72.99318	0.9
73.02945	3.7
75.00871	2.6
83.01370	1.5
83.05023	2.2
84.05348	0.7
85.02944	6.9
86.03281	1.4
87.00861	1.9
89.02434	4.6
93.03461	2.0
95.01440	2.0
96.04571	1.4
96.96007	3.3
97.02959	2.0
99.00906	3.6
100.65483	0.8
101.02434	7.1
102.02789	1.3
107.01377	4.3
108.01708	1.5
109.03006	1.0
109.61346	0.8
111.00900	1.8
111.04504	2.8
112.04915	0.8
113.02448	6.1
114.02819	1.1
119.03493	1.1
121.02153	1.3
121.02960	14.8
122.03262	7.7
123.00862	1.5
124.01713	0.9
125.02443	22.0
126.02778	6.4
137.02420	1.7
139.00330	1.2
141.01923	0.9
143.03450	1.1
151.00377	2.6
152.01169	0.9
152.03549	0.9
153.09218	3.2
154.09534	2.4
155.03494	5.1
156.03818	1.8
159.02962	1.2
161.04530	4.6
162.04884	1.4
167.03467	1.1
168.00604	1.9
169.01414	27.7
170.01764	8.9
173.04567	6.3
174.04829	2.4
177.01895	2.7
178.99770	2.3
194.01553	0.8
206.12582	0.8
207.12991	1.1
214.02672	1.7
225.14842	1.0
226.15308	1.8
227.12894	1.5
242.02116	1.1
249.06165	1.0
250.06424	2.1
259.02423	3.4
267.07224	1.4
270.01807	1.6
271.02457	10.0
287.02084	5.0
287.14896	4.9
295.08325	1.0
316.02206	27.1
317.03055	5.7
317.06427	1.4
325.05673	3.9
326.05920	7.5
388.20651	8.3
389.21603	2.3
404.16495	2.2
406.21570	1.3
448.09451	3.7
448.15424	8.8
449.07050	14.2
449.16248	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
59.01376	22.2
60.01699	2.2
61.01781	1.6
61.98828	56.9
63.02396	0.5
65.03518	0.6
71.01027	0.6
71.01363	2.8
71.55237	0.5
71.55676	0.6
73.02963	1.0
83.01369	0.6
85.02943	1.4
87.00872	3.0
88.98783	0.5
89.02430	1.7
93.03477	1.1
95.01406	0.6
96.95984	0.8
101.02416	1.6
107.01397	0.8
108.00793	0.5
108.08186	1.1
108.79781	0.5
109.02898	1.3
113.02436	2.1
113.14208	0.5
119.03457	0.6
121.02949	1.8
123.00872	0.5
125.02446	9.1
126.02786	0.8
137.02440	1.3
139.03983	1.1
149.45732	0.5
151.00359	2.3
151.03978	1.1
153.01921	0.6
159.96725	0.5
167.03470	0.8
169.01427	3.9
175.03926	0.8
177.01955	3.2
183.04376	0.8
184.04771	1.3
197.05960	0.6
212.04362	1.2
225.14954	0.6
226.15198	1.0
227.03479	31.1
228.03830	48.0
229.04160	2.6
230.05333	1.5
240.03641	0.9
255.02965	34.5
256.03317	65.7
257.03900	8.6
270.08313	0.7
284.03247	26.5
284.06433	1.3
285.03644	58.3
286.04288	22.0
287.04733	1.1
289.07123	0.9
316.02225	0.8
328.05554	1.0
330.14276	1.9
342.14447	0.9
389.21552	0.9
448.09610	100.0
449.09863	11.7
449.15591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03438	2.3
59.01379	37.4
60.01699	2.4
61.98828	100.0
71.01379	11.7
72.01727	1.5
72.99318	0.9
73.02945	3.7
75.00871	2.6
83.01370	1.5
83.05023	2.2
84.05348	0.7
85.02944	6.9
86.03281	1.4
87.00861	1.9
89.02434	4.6
93.03461	2.0
95.01440	2.0
96.04571	1.4
96.96007	3.3
97.02959	2.0
99.00906	3.6
100.65483	0.8
101.02434	7.1
102.02789	1.3
107.01377	4.3
108.01708	1.5
109.03006	1.0
109.61346	0.8
111.00900	1.8
111.04504	2.8
112.04915	0.8
113.02448	6.1
114.02819	1.1
119.03493	1.1
121.02153	1.3
121.02960	14.8
122.03262	7.7
123.00862	1.5
124.01713	0.9
125.02443	22.0
126.02778	6.4
137.02420	1.7
139.00330	1.2
141.01923	0.9
143.03450	1.1
151.00377	2.6
152.01169	0.9
152.03549	0.9
153.09218	3.2
154.09534	2.4
155.03494	5.1
156.03818	1.8
159.02962	1.2
161.04530	4.6
162.04884	1.4
167.03467	1.1
168.00604	1.9
169.01414	27.7
170.01764	8.9
173.04567	6.3
174.04829	2.4
177.01895	2.7
178.99770	2.3
194.01553	0.8
206.12582	0.8
207.12991	1.1
214.02672	1.7
225.14842	1.0
226.15308	1.8
227.12894	1.5
242.02116	1.1
249.06165	1.0
250.06424	2.1
259.02423	3.4
267.07224	1.4
270.01807	1.6
271.02457	10.0
287.02084	5.0
287.14896	4.9
295.08325	1.0
316.02206	27.1
317.03055	5.7
317.06427	1.4
325.05673	3.9
326.05920	7.5
388.20651	8.3
389.21603	2.3
404.16495	2.2
406.21570	1.3
448.09451	3.7
448.15424	8.8
449.07050	14.2
449.16248	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88358	0.3
59.01368	0.8
69.22556	3.6
70.50695	0.4
76.13715	0.3
78.95898	7.4
98.19930	0.9
110.98533	5.5
152.99519	0.6
167.01144	4.7
185.02232	3.3
236.09622	0.4
261.22214	0.4
271.02652	0.4
279.23264	100.0
280.23605	10.7
300.02716	0.6
301.03491	0.4
447.25116	9.0
448.25348	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35191	0.2
59.01369	1.8
61.98829	100.0
64.79165	0.2
68.89805	0.2
69.27186	1.1
69.27604	1.1
71.01376	0.4
81.03452	0.3
89.02476	0.2
96.96020	0.4
113.02499	0.3
115.41576	0.3
121.02953	0.4
125.02440	1.4
151.00400	0.4
165.15558	0.2
169.01411	1.1
177.01930	0.4
179.10762	1.3
200.55771	0.3
223.09746	5.9
224.10117	0.6
271.02670	0.3
272.02811	0.3
300.02612	0.3
301.03293	0.9
302.03976	0.5
385.15085	0.7
448.09778	0.6
449.18970	0.4
449.27603	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51811	0.3
55.66464	0.3
57.03452	1.3
59.01380	12.0
60.01709	0.9
61.98829	100.0
62.24476	0.3
63.02402	1.1
65.00323	1.4
69.54417	2.4
71.01379	3.6
73.02936	0.7
76.24645	0.4
83.01404	1.5
85.02961	1.0
87.00912	0.4
89.02448	2.4
90.02781	1.0
93.03485	0.4
94.18147	0.4
95.01391	0.6
96.96024	2.6
101.02433	2.5
102.02810	0.3
107.01391	3.0
109.02989	0.5
113.02464	2.0
114.02832	0.4
117.03482	0.6
119.03528	1.2
121.02969	0.7
123.00896	1.1
123.04518	0.4
124.01703	1.4
125.01512	0.7
125.02443	12.7
126.02781	0.6
135.04570	1.0
137.02469	0.9
137.09819	0.3
138.10042	0.5
143.03505	0.5
145.02945	0.4
149.02419	0.5
151.00369	7.8
151.03998	1.4
152.01175	5.0
159.04514	0.5
161.02475	0.9
161.04538	0.8
163.00383	0.5
164.01303	0.4
165.01926	1.2
167.03477	0.5
169.01421	6.4
177.01965	2.2
178.99858	4.8
179.05647	0.6
193.01430	0.4
199.04274	0.4
206.05640	0.4
214.02760	0.9
225.05573	0.5
229.04971	0.4
242.02299	0.7
243.03113	0.7
243.06593	0.7
259.02451	0.8
259.06158	0.7
268.65640	0.4
269.04538	15.1
270.01746	1.4
271.02478	5.5
286.04498	0.5
287.02072	3.3
287.05701	2.3
289.07291	0.7
303.05148	0.8
316.02234	14.9
317.02908	1.9
388.20877	1.1
389.21964	0.8
423.07281	0.5
433.51669	0.4
449.07104	5.4
449.11450	5.2
449.20532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2388
Annotation	Ugaferin
Peak:m/z	Relative Intensity
50.57830	0.3
56.06446	0.3
59.01381	2.6
61.98827	0.5
69.06818	0.5
69.43204	2.8
71.01370	0.5
71.46942	0.3
78.95914	1.3
81.74005	0.3
89.02449	0.6
89.03991	0.3
89.12529	0.4
106.04251	0.4
107.01416	0.6
107.05050	0.7
109.02953	0.4
117.03478	1.0
121.02966	0.8
125.02502	0.4
129.88443	0.3
132.02171	0.6
133.02966	21.9
134.03783	5.2
135.04532	27.9
136.04866	1.2
137.02457	3.1
139.04012	0.8
150.03206	0.5
151.00380	1.8
152.99629	2.1
161.02444	100.0
162.02795	4.9
163.00296	0.5
178.02724	0.8
178.99837	1.1
179.03490	9.6
211.13361	0.9
227.03488	0.8
228.21483	0.3
243.02954	1.0
254.02441	0.4
255.02867	2.5
267.19623	0.6
271.02472	5.0
284.03247	0.8
285.03979	1.1
285.20712	9.8
286.21036	0.9
300.02710	7.6
301.03534	6.6
429.22647	3.0
447.09857	5.6
447.23868	57.5
448.24200	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	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.6
57.03440	6.7
59.01377	38.8
59.87917	1.3
61.98811	2.3
65.00319	2.5
68.45590	1.4
69.03450	3.8
71.01378	20.9
71.18586	2.5
73.02937	7.5
77.82805	1.4
78.95893	2.5
79.95747	1.4
83.01376	4.6
85.02942	10.9
89.02441	4.4
93.03481	2.4
95.01374	1.9
96.95987	2.5
97.02927	2.4
99.00869	4.2
101.02440	22.3
107.01372	1.9
109.02926	1.3
111.08161	14.9
113.02453	9.3
119.05012	3.5
121.02914	1.4
125.02427	4.3
126.70717	1.4
148.13322	1.3
151.00398	7.1
153.09201	1.7
153.86432	1.4
159.02954	2.3
161.04536	9.4
165.01927	3.3
165.12837	100.0
166.13222	7.2
169.01360	2.4
175.04079	1.6
178.99837	2.9
181.12283	2.4
183.13889	67.5
184.14255	3.9
191.10750	2.9
200.18057	1.5
209.11858	6.8
219.17783	1.4
223.01958	1.5
227.03453	3.7
227.12857	11.3
237.09775	11.1
243.02917	3.6
255.03017	13.2
256.03226	1.3
271.02475	17.7
272.03064	1.7
284.03159	2.2
285.04126	4.3
285.07629	9.6
300.02753	26.4
301.03522	24.2
302.03751	2.7
447.09323	25.9
447.22275	86.0
448.09561	2.3
448.22638	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99522	0.5
57.03449	1.3
59.01380	100.0
60.01719	1.9
61.98832	12.0
68.56326	0.5
70.82977	1.2
71.01379	9.1
72.01699	0.5
72.99338	0.8
73.02959	2.3
75.00875	1.3
79.95737	0.5
83.01418	1.0
85.02962	4.2
85.66003	0.6
87.00873	3.2
89.02454	6.3
90.02812	0.6
93.03470	1.0
95.01392	1.1
96.96029	1.2
99.00900	1.6
101.02428	4.8
107.01376	1.4
111.00904	1.0
111.04390	0.6
113.02467	5.8
119.03491	3.3
121.02972	3.4
123.00911	0.8
125.02453	8.4
135.04543	1.7
137.02440	1.6
140.01190	0.7
144.30048	0.5
151.00349	0.9
153.09235	3.5
159.03145	0.6
161.04550	4.2
162.04971	0.6
168.00708	1.1
169.01422	6.4
173.04547	1.3
177.01999	1.3
179.05614	1.2
181.12350	0.9
206.42470	0.6
225.15131	1.2
227.03560	0.8
229.35483	0.6
249.06319	2.1
255.02980	1.1
284.03268	7.9
285.04019	12.1
285.13751	0.7
285.17056	1.2
286.04529	0.7
289.07263	1.0
295.07803	0.6
301.03506	0.9
311.07782	0.6
325.05817	0.7
329.04999	0.7
387.20184	6.9
387.24072	0.6
402.11963	0.9
403.16162	1.6
447.09451	9.4
447.15356	5.8
447.21896	1.2
448.09631	1.1
448.15384	0.7
458.12985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20973	0.5
51.25941	0.5
51.93820	0.4
58.00574	0.6
59.01378	100.0
60.01705	1.1
63.96775	0.6
68.54250	0.4
71.01379	7.7
72.11912	0.6
73.02958	0.8
83.01379	0.7
84.93061	0.4
85.02964	2.0
89.02442	8.2
89.09303	0.5
94.61824	0.6
98.19894	1.8
101.02444	4.5
113.02458	2.1
115.90350	0.5
119.03522	3.8
125.02453	0.9
143.03514	0.7
143.28688	0.5
161.04539	3.8
163.63205	0.6
179.05684	2.0
189.12843	0.8
207.14011	0.9
228.87271	0.5
313.77557	0.6
351.20221	0.6
387.20273	3.9
405.21237	5.6
447.22668	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
57.03456	2.8
59.01377	100.0
61.98827	44.4
62.74651	0.9
68.24899	0.9
69.03435	1.1
69.48624	7.4
71.01381	33.0
72.99320	2.2
73.02953	7.5
74.74263	0.9
75.00864	1.2
83.01379	2.6
85.02954	8.7
87.00875	3.3
89.02442	27.8
95.01402	2.2
99.00867	2.7
101.02442	17.7
113.02436	15.7
113.12328	1.0
114.02763	1.1
119.03488	12.5
123.00850	1.2
125.02444	12.8
126.02730	1.1
137.09721	3.3
138.10020	1.4
139.10448	1.0
143.03471	3.9
149.04451	1.2
151.00415	1.2
159.03032	2.2
161.04543	15.8
162.99690	1.1
169.01414	7.4
177.01929	2.5
179.05618	8.5
180.93892	1.0
206.12587	1.3
213.98274	1.2
225.14955	12.3
226.15460	1.8
285.04041	2.6
380.60736	1.1
387.20227	18.6
388.20532	3.1
419.54874	1.1
447.17767	2.1
447.22858	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
59.01379	100.0
60.01704	2.0
60.56610	0.9
61.98832	10.6
69.03450	1.0
71.01382	20.6
71.15063	1.4
72.99292	1.2
73.02957	2.6
75.00871	1.0
83.01392	2.0
85.02940	5.5
87.00864	1.7
89.02441	17.4
95.01400	1.0
99.00860	1.1
101.02448	12.1
113.02445	8.7
116.92864	9.4
119.03493	7.6
121.02965	1.7
125.02433	8.2
131.64441	0.9
143.03485	2.1
159.02925	1.2
161.04572	8.6
167.03435	1.5
169.01338	3.6
177.01904	1.8
179.05600	6.1
202.34225	1.0
215.01048	0.9
215.37508	0.9
223.68309	1.0
268.58875	1.0
285.03867	1.4
304.40604	1.1
353.85104	1.0
387.20212	14.8
388.20358	1.7
447.14178	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	447.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.7
61.77229	0.2
61.98824	0.3
64.37785	0.2
65.00326	0.2
69.42023	1.5
77.03131	0.2
78.95902	56.9
90.29267	0.2
96.96960	6.4
98.20673	0.4
107.01357	0.3
110.81515	0.2
111.00845	0.3
112.11256	0.2
125.02573	0.2
129.59476	0.2
149.00093	1.1
150.98022	1.6
151.00404	0.7
152.99583	100.0
153.99902	1.7
171.00656	4.4
243.03156	0.3
255.02924	1.4
271.02377	1.8
284.03250	0.4
285.03946	0.4
293.21469	0.4
300.02692	3.4
301.03415	2.6
302.03976	0.4
395.76367	0.2
447.08948	1.2
447.13593	3.8
447.21582	10.6
448.14841	0.3
448.21863	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	447.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97401	0.4
57.03445	1.1
59.01377	100.0
60.01715	1.4
61.98841	1.1
62.91376	0.4
65.00329	1.0
71.01379	4.1
71.52381	0.5
72.99341	0.7
73.02930	3.0
75.00870	3.2
81.03455	0.5
83.01402	1.1
85.02943	1.4
87.00867	0.5
87.04546	0.4
89.02438	2.6
93.03443	0.4
96.96003	0.8
99.04539	0.7
101.02435	1.2
107.01398	3.4
108.02180	0.5
109.02975	1.2
113.02457	1.8
119.03511	0.8
119.05038	0.6
119.53919	0.5
121.02946	1.7
125.02443	1.4
133.02971	4.6
135.03006	7.0
135.04514	1.3
145.02943	1.2
149.02460	1.1
151.00372	6.8
161.04625	0.8
163.00374	1.0
164.01112	0.6
165.12880	0.7
167.03493	0.7
169.01398	1.4
171.04407	0.6
172.47726	0.4
175.04070	2.2
178.99847	2.8
179.05653	0.8
179.07152	1.5
181.12442	0.7
199.03970	1.8
201.01971	0.5
207.13864	2.0
209.11839	2.7
211.03932	1.0
217.05145	0.8
220.08586	0.5
225.14951	72.6
226.02724	0.5
226.15343	4.9
227.03493	2.7
227.13002	0.9
229.05067	0.7
243.02995	4.3
251.13005	0.8
255.02991	9.4
256.03525	1.9
269.13925	24.9
270.14209	2.1
271.02463	17.1
271.05392	0.7
272.02887	1.3
273.03806	0.5
284.03336	2.5
285.04041	51.5
285.11145	1.9
286.04285	3.8
287.14896	0.9
300.02728	26.5
301.03476	20.6
301.06308	0.3
302.03818	1.3
329.16028	21.8
330.16495	2.4
343.17596	1.4
380.52548	0.5
387.16266	3.1
387.20715	0.5
447.09198	27.2
447.18619	12.6
448.09732	2.8
448.19052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.6
61.98833	3.1
61.99816	0.6
62.96420	1.3
71.00869	1.3
71.01331	0.7
76.00215	0.6
78.95903	47.9
84.75922	0.7
89.02441	0.7
96.96941	3.8
101.68053	0.7
107.01368	1.1
121.02960	1.2
125.02485	1.0
149.00089	17.7
151.00398	3.6
152.99574	13.2
156.47440	0.6
158.92561	2.4
161.02400	0.7
171.00652	0.7
178.99829	1.3
179.01180	1.8
205.15892	1.1
211.13347	1.1
227.03629	1.4
243.02954	1.1
255.02940	4.2
262.10098	0.7
269.70117	0.7
271.02451	8.5
272.02817	0.7
284.03250	1.2
285.04071	1.5
300.02737	12.9
301.03537	13.5
302.04019	1.1
323.06662	0.6
387.20322	0.8
431.10431	2.6
447.13599	100.0
448.13950	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	447.1295
Annotation	Siebolside A
Peak:m/z	Relative Intensity
55.87477	0.4
57.60341	0.4
58.10581	0.5
59.01381	7.7
61.98825	3.1
65.00329	0.9
68.77030	0.4
69.03443	0.5
71.01383	1.2
80.02672	0.7
89.02444	0.5
91.01894	14.0
91.75538	0.5
92.02216	0.5
93.03445	1.7
95.01376	1.3
99.00862	0.7
101.02385	0.6
107.01397	1.2
107.05022	0.7
108.02171	18.6
109.03009	4.3
115.33167	0.5
119.03507	0.6
121.02972	1.7
123.00880	4.9
125.02433	0.6
135.00874	13.2
136.01184	0.5
137.02440	6.8
149.02373	0.6
151.00339	2.6
152.01155	14.6
153.01498	0.6
163.00409	0.6
169.01479	0.5
178.99820	1.0
187.07959	0.5
197.06055	1.1
211.13373	1.3
213.05521	1.3
215.06973	0.6
223.09666	0.5
227.03477	0.9
243.06602	100.0
244.06955	7.6
255.02962	4.7
271.02515	6.1
284.03342	0.6
285.04022	1.5
285.20648	0.6
300.02765	13.3
301.03500	8.9
323.84940	0.4
387.11026	0.5
404.27789	0.5
447.08752	7.8
447.26050	1.7
448.09747	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
57.03413	0.7
57.74749	0.8
58.00573	1.4
59.01378	33.2
68.88226	0.5
69.31915	1.5
69.32318	4.2
71.01385	15.5
72.99288	1.2
73.02946	0.8
73.07571	0.5
83.01365	1.7
85.02940	4.2
87.00864	1.6
89.02441	18.7
93.75880	0.7
95.01395	1.4
97.02911	0.8
101.02452	11.4
107.01396	4.7
110.00061	0.8
111.00838	2.2
113.01849	0.7
113.02463	8.1
117.79562	0.6
119.03491	11.4
122.02453	1.3
122.97083	0.6
123.00904	4.3
124.01626	2.6
125.02442	32.4
126.02744	1.1
127.00333	1.4
133.05067	1.5
136.98795	1.2
137.02396	0.9
139.00348	3.6
140.01146	4.0
141.97366	0.6
151.00420	3.1
152.01166	0.6
161.04341	0.8
165.01913	1.6
167.03407	1.9
168.00636	16.3
169.01416	40.5
170.01711	1.7
171.35919	0.7
173.04500	0.8
175.51973	0.6
179.05573	1.1
211.02469	56.9
212.02730	2.5
241.03416	1.5
247.53062	0.7
271.04565	51.0
272.04837	2.2
295.10321	60.9
296.10623	4.4
325.05612	1.9
331.06653	1.8
372.13327	0.7
387.20337	1.4
401.10928	0.8
405.21170	5.2
447.11240	100.0
448.11493	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.1
52.81746	1.0
57.03445	1.5
59.01377	30.0
69.40075	6.7
69.40501	3.8
71.01017	1.1
71.01377	16.6
72.99286	1.8
73.02921	2.2
75.00857	2.6
83.01345	1.6
84.88934	1.2
85.02952	5.5
87.00853	2.2
88.36268	1.2
89.02438	16.3
95.01365	2.3
96.41663	1.3
96.96010	1.4
99.00842	1.9
101.02454	12.8
107.01366	4.4
111.00835	3.0
113.02438	8.2
115.03951	1.7
117.91136	1.2
119.03510	6.3
123.00923	7.0
124.01633	2.6
125.02454	33.7
126.76280	1.1
127.00359	1.4
137.02452	1.9
139.00301	5.1
140.01089	4.9
141.01894	1.5
149.84592	1.2
151.00294	3.7
167.03395	2.5
168.00633	15.9
169.01428	47.2
179.05663	1.2
211.02477	57.6
212.02701	4.5
225.07527	2.2
271.04584	55.2
272.04773	3.9
288.45773	1.8
295.10339	32.1
296.10501	2.5
313.05539	1.5
331.06522	2.3
364.45935	1.3
385.11203	1.3
387.09180	7.3
447.11105	100.0
448.11224	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	447.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57263	1.1
59.01377	19.0
70.23557	1.1
70.23897	4.0
71.01066	1.1
71.01390	15.0
72.99302	1.7
73.02942	1.7
85.02940	4.7
89.02441	10.1
96.95975	1.3
99.00858	1.3
99.91611	1.2
101.02459	6.5
105.01910	5.9
107.01365	3.6
108.01568	1.4
108.02180	15.6
109.03008	5.4
111.00823	1.4
113.02418	5.2
119.03494	5.7
123.00857	4.5
124.01633	2.2
125.01517	1.5
125.02447	26.6
130.08699	2.2
139.00334	3.2
140.01135	2.2
148.35231	1.1
151.00352	4.3
151.99982	1.4
152.01163	23.6
153.01782	1.2
165.01859	1.2
166.59271	1.2
168.00633	12.6
168.99986	1.9
169.01413	34.3
170.01636	1.7
179.03340	1.4
211.02477	48.6
241.03552	1.5
271.04587	41.9
272.04837	3.3
295.10349	28.7
296.10629	2.2
313.05698	1.1
331.06616	2.2
374.15781	1.1
387.09286	3.5
447.11191	100.0
448.11603	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	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42580	0.4
55.79161	0.5
59.01378	17.5
61.98837	1.0
63.02397	0.7
65.00330	1.6
66.06690	0.5
71.01387	2.7
71.55835	0.5
72.66103	0.4
73.02949	1.4
83.01404	1.5
85.02953	1.3
87.00898	0.7
89.02430	2.8
91.01900	2.1
93.03457	1.0
95.01384	0.7
96.96011	0.7
99.00881	0.7
101.02466	1.5
107.01399	3.8
108.02175	2.6
109.02979	3.2
113.02475	1.3
119.03522	0.8
121.02957	1.9
123.00844	1.1
124.01695	0.8
125.02460	5.0
133.02948	8.2
135.00877	2.9
137.02467	1.3
148.01711	0.8
149.02431	2.5
151.00362	10.9
152.01198	2.4
153.01953	1.3
161.04582	0.6
163.00372	2.1
169.01402	3.5
169.06575	0.6
171.04538	0.6
175.04030	3.0
178.99818	3.6
181.12344	2.0
199.03963	2.9
201.01833	1.0
211.04033	1.2
213.05466	1.0
217.05023	1.8
225.11372	1.0
225.14970	1.3
227.03487	3.2
229.05054	0.6
241.05061	1.2
243.03015	4.4
243.06595	12.7
244.03340	0.6
244.06934	0.9
245.04420	1.0
254.02281	0.8
255.02998	12.2
256.03577	3.3
257.04449	1.0
267.03070	0.7
271.02460	22.8
272.03036	2.0
283.02515	0.9
284.03250	5.1
285.04025	100.0
286.04367	8.1
300.02734	36.7
301.03479	28.1
302.03876	3.2
387.20065	1.2
447.09247	45.0
447.22247	2.4
448.09586	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29051	0.4
57.03445	0.6
59.01380	60.0
61.98826	1.8
63.02409	1.5
65.00342	0.9
67.29940	0.4
70.44828	1.3
71.01379	7.4
72.99308	0.6
73.02950	1.6
75.00878	1.0
75.95325	0.4
83.01408	1.5
85.02954	4.4
87.00880	0.8
89.02438	4.3
95.01391	1.2
99.00905	1.2
100.01263	0.5
101.02445	4.5
104.21117	0.4
107.01379	3.0
109.02950	0.6
113.02440	4.3
119.03513	1.8
121.02975	1.8
123.00928	0.5
125.02464	2.4
125.27219	0.4
133.02954	4.6
134.03731	1.0
147.15828	0.3
147.97073	0.4
148.01665	0.7
149.02460	1.3
151.00363	4.5
153.09198	2.4
159.02959	0.4
161.04561	3.8
169.01407	1.8
172.05293	0.4
175.02614	0.4
175.04050	1.7
177.01944	0.5
179.05666	1.0
179.10802	0.6
183.10184	0.8
184.05128	0.4
198.03027	0.4
199.03961	2.1
200.04861	0.5
201.01962	0.4
211.04030	1.1
212.04701	0.6
213.05482	0.5
217.04985	0.8
225.14984	0.9
227.03514	1.8
236.92436	0.5
239.03471	0.6
241.05057	0.7
249.06145	2.0
255.02997	1.2
256.03760	4.1
257.04178	0.7
267.07129	1.0
283.02295	0.6
284.03253	56.6
285.04022	100.0
286.04398	9.0
297.04358	0.5
325.05661	0.7
327.05090	1.3
334.06064	0.5
387.20251	7.7
388.20743	1.1
403.16159	1.6
447.09329	72.3
447.14828	4.6
448.09689	8.9
448.15536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	38.4
61.97560	0.7
63.02386	1.4
65.00318	2.7
71.01376	2.7
71.31953	1.4
73.02950	1.1
80.76254	0.7
82.16069	0.6
82.21704	0.8
83.01376	2.4
85.02975	1.9
89.02451	1.6
93.03474	3.6
97.86880	0.6
101.02424	1.6
107.01400	6.3
108.02187	2.4
109.02957	2.4
113.02498	1.3
114.99347	0.8
115.33768	0.7
116.92838	2.6
119.01372	0.8
119.03448	1.4
121.02944	5.3
125.02428	2.4
130.11122	0.8
133.02959	4.7
135.00880	1.3
137.02440	2.0
145.02924	1.5
148.01665	1.9
149.02409	2.1
151.00372	22.9
152.00587	0.8
159.04547	0.8
161.02408	0.9
161.04570	2.9
163.00372	5.2
169.01430	3.9
171.04430	0.8
173.04527	1.2
175.03979	2.8
177.12842	3.2
178.99840	8.8
183.04512	1.6
187.03999	0.9
195.13942	2.1
199.03949	2.3
201.01904	1.0
201.05533	1.2
211.04019	2.1
215.03448	1.3
225.15028	4.8
226.02676	1.8
227.03459	5.4
228.03931	1.3
229.04942	1.6
239.03534	1.1
243.02991	11.8
244.03609	0.9
245.04532	2.8
254.02054	2.1
255.02974	32.6
256.03360	2.9
257.04507	0.9
269.13956	1.0
271.02472	61.0
272.02927	7.0
273.03888	2.4
283.02448	4.0
284.03207	2.8
285.04031	46.7
286.04349	4.0
295.08197	1.3
299.01950	2.0
300.02731	100.0
301.03479	76.2
302.03876	5.9
316.82211	0.7
325.05576	1.8
329.16040	1.8
372.28024	0.8
387.20172	2.0
447.09280	78.2
448.09659	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92729	0.7
59.01383	6.0
60.01709	0.6
61.98826	1.4
69.21618	2.3
69.22034	3.9
69.22754	0.7
87.00880	1.9
98.20598	1.1
105.81776	0.7
107.01364	1.3
109.03116	0.9
109.90691	0.6
117.03459	0.6
119.96295	0.6
120.88641	0.8
135.00862	1.0
151.00359	2.6
163.00298	0.8
171.04498	0.7
183.04527	1.5
185.06152	0.9
211.03963	2.0
218.72160	0.7
227.03491	73.9
228.03857	5.8
229.05107	2.2
255.02982	95.0
256.03574	14.7
257.04401	1.5
284.03256	80.4
285.03952	32.0
286.04395	2.2
314.11691	0.9
327.05145	1.1
329.13623	0.9
447.09314	100.0
448.09637	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	446.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.0
61.98587	1.5
61.98833	17.0
62.96415	2.4
68.41305	1.5
71.01360	1.7
71.53238	1.9
76.35063	1.3
78.95901	99.2
96.96951	8.1
99.99638	1.3
100.92259	1.3
121.02937	1.5
125.14861	1.3
149.00092	13.0
150.98093	1.9
151.00339	2.7
152.99582	100.0
169.01494	2.0
171.00670	2.4
188.65556	1.4
211.13309	1.8
227.03415	1.7
243.02919	1.7
255.02890	5.6
271.02405	6.0
300.02728	17.3
301.03522	9.8
431.10324	3.4
447.13345	71.9
447.21347	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	447.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84168	2.5
59.01377	100.0
60.32814	2.6
71.01364	3.9
71.45015	3.0
78.95869	3.2
89.33704	2.6
99.92583	5.0
107.81770	2.4
141.01714	3.8
151.00334	3.4
161.04468	3.6
201.02539	90.6
202.02660	7.6
206.82442	4.5
255.03006	6.2
271.02371	3.8
279.23181	4.2
283.02936	20.1
284.03241	5.8
300.02673	7.3
301.03387	7.0
387.20142	4.2
413.71158	2.6
447.09427	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	446.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93626	0.9
52.07731	0.9
59.01384	9.2
60.07313	1.0
61.98570	1.1
61.98830	10.9
62.96424	1.3
69.31618	7.6
71.01396	1.3
78.95902	81.4
96.96943	5.3
121.02995	1.2
149.00092	17.5
150.98070	1.5
151.00343	3.2
152.99585	58.0
158.92531	1.8
171.00661	2.3
179.01144	1.9
243.02965	2.8
255.03032	6.0
271.02472	9.0
271.84418	0.9
284.03101	2.8
285.03836	1.2
300.02783	14.1
301.03580	11.2
301.28903	1.1
363.55951	1.1
383.60269	1.2
396.65363	1.0
431.10120	3.4
447.13651	100.0
447.21271	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	446.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36644	0.8
59.01385	6.9
61.76594	0.9
61.98837	7.7
78.95904	58.4
79.59718	0.7
81.81062	0.9
83.01360	1.2
96.96970	6.9
105.86359	0.8
150.97971	1.2
151.00372	2.7
152.99585	100.0
171.00591	4.8
178.99821	1.0
198.68347	0.8
242.18690	0.8
243.02905	1.2
248.73967	0.8
255.03072	3.8
271.02460	6.2
285.03943	1.6
299.07315	0.8
300.02734	10.2
301.03577	6.8
305.85754	0.8
359.97415	0.9
383.00540	0.9
416.10764	1.0
447.09195	9.3
447.21436	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	445.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17310	1.5
59.01379	100.0
61.98829	4.0
77.15759	1.3
78.89215	1.2
78.95910	2.0
89.02451	2.1
91.03990	3.7
98.20650	4.0
99.80433	1.3
108.64835	1.3
113.02368	1.5
121.02956	1.6
122.96515	1.4
145.03000	1.3
152.99559	2.2
221.22614	1.5
228.28815	1.7
239.43999	1.3
261.88275	1.3
272.10028	1.3
311.22189	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	446.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	49.0
61.98828	71.4
62.33453	9.1
71.09979	16.3
72.95251	10.2
73.48988	10.9
108.16254	9.3
151.00352	17.7
161.02458	11.5
255.02963	29.7
271.02478	73.0
300.02823	100.0
301.03430	64.8
447.09219	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98821	12.4
66.63986	5.1
69.17819	11.2
69.18213	50.0
75.35560	4.6
78.21033	4.7
89.02447	8.0
91.78250	4.8
111.45223	5.2
112.29897	4.9
113.09718	5.5
153.09171	9.6
168.00519	6.8
197.02274	4.9
293.21182	46.4
385.18472	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	445.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05741	1.2
53.39169	1.2
54.14973	1.4
59.01378	100.0
60.01709	1.5
61.98856	3.1
65.32315	1.1
71.01398	2.1
78.95905	3.8
79.56078	1.4
89.02419	2.4
91.04010	2.1
145.02782	1.6
152.99519	3.5
153.09242	1.5
169.01515	1.9
169.71182	1.4
182.18399	1.4
311.22275	15.1
385.18701	1.9
445.20660	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62854	0.4
59.01370	1.7
69.32629	1.0
69.33036	3.3
78.95907	17.1
95.06757	0.4
104.97438	0.7
110.97820	1.0
110.98532	11.6
112.69380	0.5
167.01152	12.2
168.01637	0.5
185.02185	4.4
258.97797	0.5
275.20276	0.6
277.21719	100.0
278.22070	10.0
445.23584	12.9
446.23862	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	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06794	0.7
57.03434	0.9
59.01379	100.0
60.59517	0.6
71.01384	22.2
72.01692	0.7
72.99325	2.2
73.02948	2.5
83.01377	0.8
85.02948	4.5
87.00890	1.8
89.02442	29.4
95.01391	1.3
101.02445	14.6
113.02451	10.5
119.03493	10.6
121.02956	1.5
123.00931	1.7
125.02432	4.0
131.03484	2.1
137.85895	0.8
138.06847	1.6
139.07690	0.7
143.03525	2.9
151.00386	1.3
151.07652	1.6
152.08447	2.9
153.09209	12.1
159.02983	1.0
161.04550	7.3
169.01433	5.5
179.05606	12.4
205.12302	4.3
211.02542	1.1
223.13396	4.4
224.13838	1.1
227.87199	0.8
271.04434	1.0
385.18610	7.0
445.13644	10.8
445.20743	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	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.8
78.95905	21.0
98.92334	0.6
104.64528	0.7
108.67294	0.7
110.98532	14.3
110.99281	0.5
112.57633	0.7
113.42219	0.7
119.23967	0.7
152.99651	0.8
157.78754	0.7
167.01164	15.1
179.37836	0.7
185.02232	3.2
229.22708	0.8
277.21707	100.0
278.22037	9.4
445.23541	14.6
446.23996	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03048	0.4
57.03437	0.6
58.00605	0.8
59.01378	100.0
60.01709	1.1
61.98810	0.7
65.05917	0.4
68.77341	0.4
70.07373	1.8
71.01382	18.7
72.19817	0.4
72.99308	1.0
73.02957	1.2
75.00920	0.5
75.36736	0.5
83.01373	0.5
83.05025	2.5
85.02946	3.5
87.00900	1.7
89.02444	28.3
95.01395	1.5
96.96038	2.1
97.02964	0.4
101.02437	9.4
107.01421	0.8
111.00930	0.5
113.02444	7.9
116.55936	0.4
119.03496	11.6
120.03889	0.4
121.06609	0.5
121.74552	0.4
123.00883	2.2
125.02441	6.1
131.03540	1.3
131.07103	0.5
137.02467	0.9
139.00400	0.7
139.54599	0.5
143.03543	2.2
146.73364	0.4
149.04582	1.5
149.27704	0.5
151.00385	1.2
153.09227	0.4
161.04517	3.3
167.03500	0.6
168.00702	0.8
169.01427	7.0
178.25925	0.4
179.05608	15.1
180.05920	0.9
191.01984	0.5
195.24791	0.5
200.05240	0.4
205.12383	0.9
211.02458	2.2
241.14539	0.5
271.04428	3.0
293.12521	2.4
313.05630	0.5
370.17639	0.6
385.19156	0.6
403.19589	0.6
427.12537	0.5
445.13126	13.7
445.21063	1.1
446.13965	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	445.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.0
60.13269	0.6
60.99303	1.5
61.02909	0.6
61.98820	1.7
71.01382	1.7
71.03351	1.0
71.03722	1.0
76.90896	0.7
85.02962	1.3
89.02445	0.8
97.60233	0.6
101.02444	1.3
103.70945	0.7
109.02986	0.7
119.04979	0.7
121.02955	100.0
122.03314	3.7
125.02436	1.0
135.23145	0.6
153.09200	1.4
161.04509	1.2
165.12894	1.0
180.05763	2.9
181.06589	47.2
182.06857	3.8
183.13812	1.3
183.18324	0.7
197.06017	1.1
199.07608	5.4
205.12323	0.8
225.05556	32.5
226.05882	1.8
227.04193	0.7
250.44014	0.6
357.09772	47.7
358.10217	5.3
385.18723	1.2
401.08731	20.7
402.08984	2.3
445.11371	57.9
446.11774	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03095	0.8
54.02935	0.8
55.01867	3.2
57.03450	7.8
58.00592	1.0
59.01381	22.8
61.39457	0.9
67.01894	1.9
68.59518	0.8
71.01381	42.1
72.99313	4.7
73.02946	8.3
75.00873	30.7
83.01398	5.7
84.02163	1.0
85.02947	42.9
87.00872	11.1
89.02466	6.7
90.39263	0.8
95.01380	5.4
95.66339	0.9
97.02921	1.9
99.00886	11.3
101.02444	13.7
107.01408	2.1
107.05060	0.9
111.00865	1.1
112.01663	1.6
113.02450	38.6
114.02823	1.2
115.00373	2.4
117.01903	2.2
120.29471	0.9
123.00866	5.7
124.01635	0.9
125.02443	15.0
129.01930	2.1
131.03482	1.9
132.21498	0.8
137.02478	1.1
139.00356	0.9
140.01178	1.6
143.03543	1.5
151.00365	3.8
155.42409	0.8
157.01357	1.3
159.02945	1.5
161.04555	6.0
168.00613	2.0
169.01419	22.6
170.01839	0.9
175.02420	4.0
211.02415	2.0
222.33099	0.8
239.16368	1.4
264.75470	0.9
266.44739	0.8
269.10321	3.5
271.04608	3.2
313.05569	2.8
385.07401	1.6
401.21738	5.6
403.19470	1.3
445.14066	100.0
446.14340	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	445.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.2
59.01381	65.1
60.01707	0.8
69.03453	2.1
70.59781	1.6
70.60146	1.7
71.01387	19.9
72.99316	1.1
73.02941	1.7
75.00855	1.0
79.01867	0.8
79.05605	0.8
81.03479	1.2
83.01377	2.7
83.04008	0.8
85.02946	3.9
87.00863	2.7
89.02446	25.0
93.03455	1.1
95.01379	2.5
97.02930	2.2
99.00871	2.6
101.02443	11.7
106.04304	1.0
107.01403	4.4
107.04968	1.7
109.02961	1.9
111.00893	0.9
111.04438	0.9
113.02456	9.2
119.03506	10.2
119.04956	0.9
121.02901	1.6
121.06563	2.9
123.00882	3.5
124.01625	1.6
125.02451	70.4
126.02776	2.1
131.03459	1.5
137.02452	5.8
139.00380	2.2
143.03488	2.4
145.06541	1.7
147.04504	1.3
149.04512	1.4
151.00314	2.7
151.02850	1.5
151.04010	19.4
153.09239	1.4
161.04520	4.0
162.63464	0.8
163.07613	2.5
167.03456	5.4
168.00653	2.2
168.20265	0.8
169.01427	100.0
170.01683	3.3
179.05600	8.0
179.10794	1.3
180.36604	0.8
187.07622	1.3
203.07201	4.3
205.04921	1.3
205.08681	1.7
209.04570	1.2
211.02440	5.3
221.08131	2.8
223.13339	1.6
231.06583	3.7
249.07629	1.8
271.04602	7.7
275.05499	1.1
293.06604	11.4
293.12457	2.8
427.12418	0.9
445.07736	4.4
445.13412	34.0
445.19455	1.6
446.08215	1.0
446.13776	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	444.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13457	0.5
55.01870	0.9
55.94419	0.6
57.03446	1.9
58.00589	0.5
59.01382	29.2
60.01715	1.5
61.98839	1.1
68.99813	1.9
69.03451	1.5
71.01384	13.0
72.99313	4.4
73.02945	2.4
75.00881	11.2
82.86790	0.5
83.01382	1.3
83.05028	0.7
83.06078	0.5
85.02950	10.0
87.00875	4.1
89.02454	6.1
91.04057	0.6
93.03445	0.9
95.01392	2.7
96.95981	0.7
97.02947	0.8
99.00883	6.1
101.02431	3.0
103.00390	0.6
106.06628	100.0
107.01345	0.7
107.06960	4.7
109.02931	0.6
111.00896	0.9
111.73687	0.6
113.02453	11.1
113.38466	0.5
115.00388	0.8
117.01915	1.4
119.03519	1.4
121.02940	0.8
123.00858	0.9
125.02434	2.3
129.01900	0.6
136.64726	0.5
139.00340	0.5
141.61165	0.6
150.05603	65.9
151.00310	0.8
151.05963	3.2
157.01469	0.6
159.95088	0.6
161.04562	1.8
167.03459	0.6
169.01389	1.1
170.00349	0.5
175.02478	1.2
179.10791	0.7
187.11212	0.7
194.04573	21.1
195.04906	1.5
223.13524	0.7
224.09315	1.7
231.05107	1.3
249.06145	20.3
250.06419	0.8
267.07150	3.6
268.08029	0.7
382.11435	1.1
384.17395	1.1
385.18643	1.2
400.12451	26.1
401.12585	2.1
426.10681	0.8
427.53326	0.5
444.11447	48.5
445.11804	4.8
445.16916	1.6
445.21497	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.5
71.01385	1.5
71.54714	2.4
80.20474	1.6
90.09525	1.6
91.03999	1.7
94.49390	1.6
124.34923	1.6
142.22571	1.7
181.43692	1.7
222.08942	3.1
235.09668	9.2
247.09743	2.7
248.10434	2.9
282.66312	1.7
303.16022	5.0
307.30054	86.3
308.30438	11.9
325.31308	2.5
351.29019	40.8
352.29242	6.0
369.30060	100.0
370.30386	11.0
374.20712	2.3
443.27768	22.0
443.33731	47.0
444.28128	3.5
444.33945	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	443.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10876	1.5
71.08209	1.5
71.52277	2.5
78.42496	1.9
79.89963	1.6
99.26826	1.7
192.06987	1.7
251.61671	1.8
307.30048	86.9
308.30316	12.3
351.29010	43.7
352.29260	5.9
369.30066	100.0
370.30353	8.7
443.33774	48.5
444.34155	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	443.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01388	1.5
63.34454	0.2
71.01380	0.3
72.75630	0.2
73.93631	0.2
80.02669	0.4
89.02418	0.4
91.04017	1.2
100.41651	0.2
118.98327	0.2
137.06480	0.3
154.33696	0.3
279.26770	0.6
305.28403	1.4
307.30038	97.1
308.30377	11.2
308.33987	0.3
325.31097	2.6
326.31302	0.2
351.29022	44.3
352.29376	5.8
369.30060	100.0
370.30423	13.0
380.11038	0.2
443.33746	49.5
444.34097	7.7
444.40314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.81769	1.6
61.98825	1.8
71.01370	1.9
71.54444	1.5
71.54842	1.8
78.91877	4.7
91.04001	5.0
96.94198	1.7
111.08137	6.0
125.02413	1.5
125.09685	1.7
151.51715	1.3
197.11870	7.5
285.03940	1.6
291.19589	5.1
309.20728	16.9
310.20877	1.7
341.10104	1.5
443.26181	3.1
465.37708	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	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98830	14.7
71.36115	10.2
97.08340	8.1
100.81491	7.1
169.01469	9.4
275.20114	12.3
285.03986	11.9
291.19751	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
62.39758	2.1
71.56059	3.2
75.79105	2.0
78.91881	13.2
91.04002	4.4
111.08172	2.3
115.71435	1.9
163.00143	2.0
197.11859	9.5
291.19699	4.8
309.20621	14.0
443.26498	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	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70316	8.0
59.01378	100.0
60.95649	8.3
61.98833	24.5
69.71569	22.5
69.71978	25.2
77.25561	7.5
78.47906	9.0
98.19938	16.5
180.00345	7.0
186.83578	9.1
275.20053	11.8
291.19690	49.6
309.42404	8.8
402.98309	8.8
419.81589	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	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91151	1.0
55.37698	1.0
55.51566	1.0
56.35950	1.3
58.44450	1.0
58.48904	1.0
59.01379	100.0
61.98821	1.7
63.10872	1.0
74.18609	1.3
74.44814	1.1
134.07852	1.1
142.91174	1.1
169.01436	2.2
197.11794	1.3
205.86209	1.3
243.12973	1.2
291.19647	4.5
309.20667	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	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09048	0.6
59.01378	100.0
60.01722	0.8
71.08183	1.3
85.08858	0.6
91.04024	1.9
98.76760	0.6
99.92569	0.7
108.40092	0.7
111.08159	1.0
115.48717	0.6
121.02960	2.4
162.05826	0.6
197.11758	5.0
232.30966	1.0
285.04111	0.7
291.19592	3.5
309.20721	10.3
309.24091	0.7
310.21100	1.6
334.35858	0.6
347.44302	0.6
457.26151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38868	1.1
57.76522	1.2
66.49312	1.1
69.73446	4.4
69.73866	2.0
74.99078	1.9
75.70247	1.2
78.65305	1.2
96.56095	1.3
110.22601	1.4
144.14865	1.3
148.04410	1.1
159.08434	3.9
161.06276	1.2
182.76959	1.2
277.07629	2.5
345.13675	2.0
357.13779	3.2
359.15326	100.0
360.15488	17.2
427.21573	49.3
428.21826	11.0
443.24875	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	443.1922
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01876	2.4
57.03438	1.6
58.00578	2.6
59.01382	51.2
71.01383	31.6
72.99291	2.7
73.02945	4.9
83.01393	3.5
83.05042	1.6
85.02959	12.5
87.00877	1.8
89.02453	19.9
93.03468	2.8
95.01389	3.8
96.96047	0.9
99.00859	1.4
100.60191	0.9
101.02444	23.6
107.01398	3.2
111.00875	2.1
111.04499	3.6
113.02451	11.8
117.05576	11.7
119.03503	8.2
125.01535	1.2
125.02448	16.0
137.02451	1.5
149.04596	1.0
152.28741	0.8
155.03572	5.3
161.04602	1.8
169.01418	25.0
170.01787	1.4
173.04599	9.0
182.46933	0.9
189.12842	1.8
211.02443	1.3
245.04243	1.1
271.04498	2.8
281.06754	1.0
281.14081	1.2
291.10757	1.8
325.05609	9.2
379.18900	1.0
404.77710	0.9
417.48050	1.2
425.10812	1.2
443.12180	8.3
443.19189	100.0
444.19540	12.0
463.51315	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.7
59.01104	2.6
59.01379	37.6
63.25564	1.6
69.52881	6.0
69.53304	6.5
71.01385	15.8
73.02932	8.0
75.00877	4.6
83.01396	3.2
85.02948	8.2
87.00885	3.1
88.04010	2.5
89.02459	5.9
93.03458	43.5
94.03771	1.8
95.01392	5.6
96.96037	4.7
97.02974	1.8
99.00874	4.8
101.02436	7.3
107.05019	32.4
108.02170	2.6
113.02448	7.2
119.05035	3.1
121.02935	2.8
123.00871	3.8
123.04506	2.5
125.02442	11.7
127.18618	1.7
134.03735	2.7
135.04515	3.8
136.01674	21.3
137.02448	100.0
138.02762	2.2
145.02962	1.9
148.65242	1.5
149.02399	5.7
149.06097	3.9
151.00336	2.1
151.04016	10.8
154.99823	4.0
161.04553	4.2
163.03955	2.4
168.00624	2.4
169.01469	8.3
179.03500	79.2
180.03876	3.2
205.05072	3.1
209.04558	18.5
211.02507	6.8
221.11798	3.3
221.71513	2.0
237.06161	1.6
239.05606	64.0
240.06015	3.3
271.04602	13.1
277.70401	1.7
299.07709	5.4
323.13382	8.3
331.07120	1.7
342.43579	1.7
383.09836	2.4
401.14435	3.4
405.72110	1.7
441.54089	1.8
443.15546	65.4
444.15903	7.5
451.83521	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	443.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10541	0.9
55.01888	1.0
55.29457	0.9
57.03433	1.0
59.01379	30.1
61.30249	0.9
69.03455	1.7
69.89246	4.4
71.01395	4.1
73.02947	1.3
74.70061	0.7
79.01846	1.0
79.98309	0.7
83.05030	2.9
85.02942	2.4
87.00871	2.2
89.02450	2.4
91.74145	1.0
93.03457	8.2
95.01397	1.4
96.96031	1.7
97.02939	1.4
98.19951	1.1
99.04530	1.9
101.02468	1.7
107.01389	10.9
109.52660	0.9
111.04523	11.8
113.02452	2.3
117.05583	44.1
118.05888	1.1
123.00889	1.9
124.01754	1.0
125.02448	52.7
126.02796	1.9
127.04008	1.1
134.03767	1.1
137.02460	7.2
155.03516	18.3
160.01706	1.4
168.00620	1.0
169.01431	100.0
170.01726	3.1
173.04541	27.6
175.03976	1.6
193.01575	1.0
193.05037	2.9
194.52721	0.9
211.02513	1.8
222.28705	1.0
233.06670	2.5
271.04477	2.8
273.09705	4.9
281.06686	2.4
291.10812	5.6
325.05649	35.9
325.09549	1.9
326.06030	1.8
343.06598	2.9
385.07919	5.6
425.10748	5.6
443.06085	1.6
443.11908	23.6
443.19122	6.7
444.12225	2.1
469.19934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2494
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
57.03442	0.8
59.01380	100.0
60.01717	1.0
61.98822	0.4
67.46574	0.2
69.44595	0.8
69.45026	1.2
71.01376	4.0
73.02953	1.2
83.01379	0.6
85.02951	1.7
87.00861	0.3
87.76248	0.3
89.02450	2.3
95.01398	0.5
96.96049	0.5
99.00907	0.4
100.28506	0.2
100.71691	0.3
101.02450	2.4
111.00931	0.3
113.02460	2.6
118.95131	0.3
119.03490	0.6
123.00944	0.7
124.01307	0.3
125.02456	1.7
131.03506	0.3
136.07724	0.8
137.08035	0.4
138.92732	0.3
139.00403	0.5
151.00392	1.0
152.00780	0.3
161.04575	0.4
169.01439	1.3
193.12419	0.4
197.66202	0.3
288.08905	1.1
289.09219	1.2
380.11349	0.3
381.22971	0.5
399.24237	0.7
416.27707	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01708	2.0
61.98828	3.4
71.53234	2.0
96.96049	2.5
123.00905	3.9
125.02444	7.9
133.29544	1.3
136.07652	1.9
137.02539	1.7
137.07961	2.0
151.00354	6.1
169.01408	7.2
288.08762	3.8
289.09143	5.2
289.18039	2.0
307.19135	3.1
342.08786	1.5
342.66751	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32863	1.5
59.01379	100.0
61.98836	2.2
63.41360	1.5
71.55539	2.2
74.36800	1.2
77.96501	1.3
84.74842	1.3
109.02961	1.8
123.00870	4.4
125.02438	6.0
137.07999	1.7
139.03938	1.6
151.00375	4.9
152.00726	2.8
152.90401	1.4
169.01450	6.7
197.22781	1.3
199.39052	1.4
205.33525	1.5
288.08746	3.3
289.09534	6.7
289.18051	2.3
307.19177	3.2
319.60312	1.5
373.20642	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	441.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33967	0.6
57.03458	2.1
59.01381	100.0
60.01723	1.4
61.98836	1.0
62.42477	0.6
69.03438	0.7
70.98149	0.6
70.98465	0.9
71.01394	5.5
71.42707	0.6
72.99310	0.8
73.02959	2.0
85.02946	3.5
87.00909	0.6
89.02466	1.3
95.01431	1.2
96.96016	1.0
99.00890	0.6
101.02456	2.7
109.03033	0.8
109.06575	0.9
113.02474	2.7
119.03551	1.0
123.00907	2.8
123.04535	0.7
124.01226	0.8
125.02466	5.0
127.57439	0.6
129.62294	0.6
135.08195	0.7
136.07703	1.7
136.61517	0.5
137.02495	1.2
137.08026	0.7
151.00392	3.2
151.83401	0.6
152.00734	1.1
161.04536	1.5
169.01419	6.7
177.09190	0.7
193.12415	2.3
203.12883	0.9
211.13380	0.7
288.08810	2.9
289.09555	3.9
311.34274	0.7
333.20901	0.9
339.73755	0.7
381.19528	0.8
441.21652	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	441.203
Annotation	Grandilodine A
Peak:m/z	Relative Intensity
64.53092	0.8
64.83933	0.8
65.99858	1.3
71.54794	0.9
96.96036	0.9
101.06089	2.2
102.78986	0.9
196.11348	1.8
221.32852	0.8
254.15497	11.2
278.11877	3.8
280.17062	1.3
294.14978	7.1
309.22205	1.0
333.17313	3.9
348.19574	2.9
350.18051	1.1
381.21082	2.1
384.13449	3.9
441.20276	100.0
442.20584	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14364	1.7
59.01379	100.0
61.98814	1.8
62.94331	2.0
64.10376	1.7
65.13237	1.7
71.52505	3.3
82.08501	1.8
123.00916	3.8
125.02448	9.3
136.07698	5.2
137.02512	2.6
146.53781	1.9
151.00336	4.5
158.81522	1.7
169.01430	9.7
192.08510	1.8
288.08823	5.0
289.09103	7.6
289.17944	6.3
307.19083	5.4
429.74823	2.0
446.64444	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65380	8.2
57.03436	7.8
59.01377	29.4
70.56876	7.3
71.01385	15.2
75.04473	7.6
83.01380	9.8
96.96012	16.0
99.92591	50.5
109.02978	8.8
114.94927	10.9
115.92069	76.2
116.92870	100.0
123.00885	25.8
125.02436	34.6
136.07704	18.2
137.02414	25.3
142.94452	17.8
151.00365	13.8
158.93901	26.6
169.01447	20.3
177.01988	14.4
202.92802	13.9
211.02425	14.2
238.65891	7.8
270.66501	9.2
271.04694	20.5
288.08463	10.7
289.09085	41.3
331.06641	11.5
441.04651	12.8
441.18979	43.5
442.13434	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	441.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.0
59.01379	96.1
61.98811	0.8
67.01900	1.6
69.03453	2.4
69.19535	2.7
69.19956	5.5
71.01385	3.3
71.05041	1.4
72.99300	0.9
73.02959	1.0
81.03471	3.3
83.01395	3.9
83.05035	2.6
85.02952	9.5
87.00857	4.8
93.03460	8.4
95.01389	1.7
95.05025	2.0
96.96011	8.4
97.02972	3.4
98.95618	1.7
99.04561	1.0
101.02473	1.7
107.01396	2.6
107.05003	0.8
109.02950	16.1
111.00879	4.5
111.04504	7.1
119.05005	1.1
121.03006	2.0
123.00877	2.7
123.04524	7.1
124.01741	1.1
125.02449	76.1
126.02794	3.0
127.04018	2.0
129.01953	1.1
135.04512	2.3
137.02455	12.8
139.00385	1.9
139.04047	1.9
140.01169	1.7
145.02946	4.2
145.73502	0.9
147.08221	0.8
149.02449	5.0
151.00374	2.4
151.04019	6.0
155.03523	7.0
159.04546	2.6
161.02490	1.2
161.06091	2.5
161.13383	2.5
163.04005	1.3
163.11319	1.2
164.01160	2.4
165.01964	3.1
167.03497	2.2
168.00699	2.2
169.01427	100.0
170.01768	3.2
173.00981	1.1
173.04546	20.0
173.06032	1.2
175.04007	1.5
175.07669	1.1
179.03566	2.7
181.05002	0.9
185.06053	1.8
187.04024	1.7
188.04767	2.0
191.05615	72.8
192.06007	2.8
193.01399	11.7
194.01819	1.2
203.07188	6.8
205.01508	2.1
205.05081	4.3
207.10455	0.9
219.10321	1.9
221.08205	1.7
223.13394	80.4
224.13718	6.5
227.07126	1.9
229.05022	1.0
245.04604	1.1
245.08173	7.8
253.05098	1.7
259.06177	2.9
267.12354	15.8
267.15341	1.2
271.06079	5.4
287.05746	1.4
288.08713	1.0
289.07144	46.0
290.07382	4.4
303.04999	2.1
331.04639	4.5
397.09198	1.2
441.08533	8.9
441.17807	30.9
442.18350	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	441.0826
Annotation	(-)-Catechin gallate
Peak:m/z	Relative Intensity
54.95747	0.8
57.03449	4.0
59.01381	10.1
69.03451	2.3
69.28580	4.6
69.29003	2.8
69.98115	0.7
71.01383	1.5
79.95744	1.1
81.03444	2.8
83.01390	2.4
85.02946	1.7
86.73829	0.8
87.00893	0.8
89.02454	1.8
93.03477	2.0
95.01381	1.4
95.05012	1.8
96.05381	0.8
96.95998	9.6
97.02959	4.3
98.19817	1.8
101.02441	1.8
107.01398	3.2
108.02198	1.4
109.02959	15.2
110.71873	0.8
111.00897	1.2
113.02450	1.0
117.03451	1.3
119.03626	0.8
119.05047	3.9
121.02943	3.9
123.00877	2.7
123.04525	10.8
124.01641	1.2
125.02449	68.0
125.07571	0.8
126.02767	4.0
132.05788	0.8
133.06609	1.7
135.04494	2.1
136.07689	1.3
136.98851	0.9
137.02451	14.2
139.00415	1.6
139.04015	2.8
140.01183	1.3
145.02936	6.7
146.03697	1.0
149.02519	3.8
150.37982	0.9
151.00366	2.2
151.04013	8.3
153.01944	2.5
159.04509	2.2
161.02391	0.9
161.06090	7.5
163.03973	5.8
164.01151	2.8
165.01912	3.4
167.03555	2.0
168.00635	1.9
169.01427	100.0
170.01787	3.0
173.04605	1.5
175.04007	1.4
175.07605	1.6
177.02000	0.8
177.05566	2.7
179.03514	4.0
185.06039	1.2
187.03979	4.2
188.04771	2.2
191.05643	5.0
193.01414	5.8
199.13446	0.9
202.06271	1.0
203.07112	8.7
205.05008	8.9
221.08189	1.5
223.13390	5.8
227.07100	2.5
235.06129	1.4
245.08191	11.6
259.06039	1.2
265.07178	1.1
267.12390	1.5
271.06104	4.1
279.09055	2.9
289.07117	57.9
290.07407	5.7
295.10306	3.4
303.05051	1.9
331.04523	2.3
441.08228	7.0
441.13907	8.8
442.08029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0823
Annotation	Catechin 4'-O-gallate
Peak:m/z	Relative Intensity
56.19307	0.5
57.03439	1.8
59.01374	1.1
61.98819	1.2
64.60368	0.6
65.00313	0.7
65.03957	1.5
67.01874	1.2
69.03449	0.6
69.49409	2.9
71.01361	1.3
75.00860	0.9
78.95885	0.5
81.03452	1.4
83.01379	3.3
83.05022	0.9
85.02943	0.7
89.03958	0.7
91.01895	1.1
93.03442	1.8
95.01385	0.8
95.05030	0.9
96.96000	8.7
96.96963	0.8
97.02934	1.0
99.00833	0.6
105.03463	0.7
107.01328	0.6
107.05017	4.8
108.02167	0.7
109.02947	15.6
110.03262	0.5
111.04516	2.8
112.87145	0.4
113.02448	0.9
119.04984	0.5
121.02979	2.0
121.06586	0.5
123.00883	2.5
123.04517	0.5
124.01654	2.5
125.02445	22.4
126.02721	0.9
130.04265	0.8
131.05003	2.6
133.02965	2.5
135.04509	0.8
136.01675	0.6
137.02448	11.9
138.03223	0.6
139.04010	10.2
140.04306	0.5
143.04994	0.8
145.02924	0.7
147.04491	1.0
149.02454	3.6
149.06055	0.5
151.03995	14.0
152.04393	0.6
155.04991	0.6
158.03738	0.6
159.04485	1.9
161.02452	1.3
161.06235	0.5
163.04007	4.1
165.01961	1.9
166.02643	0.9
167.03493	8.2
169.01396	1.4
171.04521	0.5
173.05959	0.9
174.03183	0.7
175.03995	17.9
176.04347	0.6
177.01915	16.4
177.05550	1.3
178.02325	1.2
179.03502	1.2
183.04465	1.0
185.02478	0.4
185.06007	0.7
187.03993	9.4
188.04582	1.3
189.01904	1.3
189.05580	1.5
190.02628	0.5
191.03528	1.2
191.05611	3.0
193.05013	2.2
193.62428	0.4
199.03952	2.6
200.04750	0.6
201.01913	0.7
201.05595	1.2
203.03479	1.6
204.04193	0.5
205.05061	1.6
211.02409	0.5
211.04041	4.7
213.05603	2.4
214.02676	1.3
215.03516	4.4
217.01465	0.8
217.05029	3.6
219.02956	1.1
221.04520	1.6
225.05617	0.7
227.03450	3.5
228.04169	1.4
229.05023	8.8
230.05470	0.8
231.02986	1.1
231.06589	1.0
239.03464	0.5
241.05096	0.5
243.02965	9.9
244.03407	0.5
245.04437	1.0
251.03464	0.7
253.05025	1.7
254.05730	0.5
255.02962	31.1
256.03662	9.7
257.04498	6.1
263.05554	0.6
267.07031	0.5
269.04486	4.6
271.06290	0.9
273.04044	8.2
274.04443	0.9
279.02942	0.8
280.03940	0.8
282.01733	2.8
283.02457	16.7
284.02890	1.8
285.04013	4.5
286.04413	0.7
288.02713	1.7
297.04025	10.4
298.04648	1.6
299.05612	1.1
313.07068	0.8
315.05023	1.1
331.08118	0.8
331.63605	0.5
343.06732	1.0
355.08170	6.9
357.06329	0.8
379.07889	0.6
397.09198	3.4
423.07196	100.0
424.07501	13.2
441.08401	5.2
441.15991	1.7
442.08234	0.7
458.25620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
61.98835	1.3
69.25238	2.3
69.25663	2.4
71.01373	1.7
78.95893	2.5
79.95728	1.9
83.01398	0.6
85.02953	7.8
87.00864	1.7
93.03467	3.0
96.96011	62.5
96.96909	4.6
98.95599	0.7
101.02430	0.8
109.02940	1.2
111.04514	1.3
113.02428	0.9
123.00835	0.9
125.02463	2.6
127.04015	2.2
137.02409	0.9
139.03909	0.5
169.01402	3.6
173.04579	1.0
175.03891	0.6
177.01964	0.7
184.97701	1.2
191.05605	100.0
192.05956	5.7
202.98840	0.7
224.97118	0.7
255.02933	1.0
266.98294	1.1
273.04230	0.7
288.94699	0.6
289.02417	1.4
343.06686	25.4
344.07043	2.1
423.07214	2.3
441.03595	8.4
441.10052	1.4
441.16135	1.2
442.03934	0.8
448.72604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96574	0.5
51.54047	0.4
59.01374	2.5
59.42791	0.4
67.01887	0.6
69.03454	0.9
71.01369	2.1
71.54758	0.4
71.55141	0.4
72.99316	0.5
75.00867	1.4
77.72897	0.4
78.95883	1.0
79.95744	2.4
83.01380	0.7
83.44823	0.4
85.02933	3.6
87.00877	0.7
89.02457	0.7
93.03460	2.6
96.96011	100.0
97.02935	0.6
99.00877	1.0
101.02451	0.7
107.01394	1.9
109.02938	1.3
111.04505	1.3
113.02438	2.0
123.00827	0.5
124.01647	0.6
125.02451	14.4
137.02451	1.9
139.04092	0.4
151.04045	1.3
155.03506	1.2
167.03482	0.8
169.01422	24.0
170.01755	1.1
173.04541	6.4
175.02490	0.4
175.04030	1.3
177.01974	0.7
187.03946	0.5
191.05603	14.6
192.05977	0.7
211.02348	0.5
224.97247	0.8
227.03537	0.5
229.05058	0.6
243.03038	0.7
255.02972	2.0
256.03754	0.6
283.02423	1.3
297.04056	0.6
343.06683	22.3
344.07144	2.5
381.01425	1.1
413.00363	0.5
423.07184	7.4
424.07355	0.6
434.23141	0.5
441.03378	0.9
441.10056	0.6
441.16028	6.1
442.16794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.7
59.01369	2.0
59.21707	0.6
61.84119	0.6
67.01867	1.7
69.03419	1.0
69.17486	3.7
69.17915	2.8
71.01370	2.7
72.99300	1.1
73.02921	0.8
73.64753	0.6
75.00861	1.8
79.01890	2.6
79.95726	1.9
85.02940	2.9
85.49567	0.6
86.03316	0.6
95.01379	3.0
96.96022	7.0
97.02940	0.9
98.95608	0.8
99.00908	0.9
101.02466	0.8
106.04261	5.6
109.02969	1.5
113.02414	1.8
114.02725	0.8
123.00887	38.3
125.02455	8.0
136.07677	46.1
137.02509	1.0
137.08017	1.5
139.00349	11.8
141.01939	4.7
151.00366	60.7
152.00703	1.5
152.03624	1.0
161.02444	1.5
169.01445	2.5
245.08185	0.7
259.02841	1.6
288.08768	100.0
289.09372	8.4
360.15201	1.0
440.11313	5.8
440.18402	6.0
441.13797	0.8
441.18948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
59.36889	0.4
67.01890	1.0
71.01339	1.0
71.53734	0.5
79.95742	2.1
83.13739	0.3
85.02954	1.1
87.00890	0.5
93.03458	2.6
96.96008	100.0
101.02446	0.4
105.06610	0.5
107.01394	1.7
108.53905	0.4
109.02959	1.2
111.04523	0.8
113.02511	0.5
125.01536	0.7
125.02438	11.6
131.04987	0.5
137.02444	1.3
137.70721	0.4
139.04008	1.1
151.04016	0.6
155.03378	0.4
157.83658	0.4
169.01416	23.3
170.01717	1.2
173.04559	5.4
173.95338	0.4
175.04056	0.7
177.01952	1.2
191.05602	9.0
192.05927	0.5
224.97212	0.5
229.05103	0.6
255.03018	1.6
256.03571	0.5
297.04010	0.6
332.13080	0.5
343.06653	18.8
344.07025	1.6
381.01425	0.9
423.07251	3.8
424.07596	0.5
441.03714	1.1
441.16086	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	439.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50045	0.6
55.01872	2.1
55.36800	0.5
57.03452	5.4
59.01098	1.0
59.01379	13.2
60.62397	0.5
65.00347	0.5
67.01888	0.9
69.03438	1.3
70.24132	2.0
71.01377	24.9
72.99310	3.9
73.02949	4.4
75.00871	31.7
76.96282	0.5
77.61649	0.6
79.95728	2.1
82.26066	0.7
83.01382	3.4
85.02949	32.6
86.00070	0.6
86.03290	0.8
87.00874	9.0
89.02437	2.6
89.30811	0.6
95.01380	5.1
96.96009	17.8
97.02955	1.1
99.00877	10.6
101.02441	6.7
103.00372	1.1
106.04230	0.7
109.60511	0.6
111.00876	1.6
112.01659	0.6
113.02451	31.0
114.02791	0.8
115.00376	2.2
117.01926	2.0
117.03212	0.5
123.00847	4.0
125.02447	17.8
126.02772	0.8
129.01939	1.6
136.07671	5.5
139.00333	1.3
141.01869	1.0
151.00369	7.5
157.01399	1.6
161.02393	1.3
161.04524	1.3
169.01401	2.1
173.04500	0.7
175.02518	4.0
178.56264	0.6
234.64775	0.5
257.27081	0.5
259.05948	0.6
263.14999	4.0
288.08749	20.7
343.21884	0.6
379.16022	1.2
421.17252	1.1
439.11456	7.0
439.18155	100.0
440.11920	1.0
440.18561	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	439.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90360	0.7
55.01870	1.5
57.03446	6.2
59.01104	1.1
59.01381	15.4
67.01904	0.9
69.03465	1.2
70.88484	0.6
71.01382	25.9
71.52379	1.3
72.99306	4.3
73.02946	3.5
75.00871	29.9
79.95716	2.9
83.01397	4.3
84.02168	1.0
85.02950	33.1
87.00872	8.8
89.02436	2.4
95.01385	3.9
96.96010	21.5
97.02925	1.6
99.00890	11.9
101.02432	8.5
103.00317	0.7
106.66326	0.6
111.00882	1.5
112.01604	0.7
113.02448	27.4
114.02784	0.8
114.99587	0.7
115.00375	2.9
117.01949	1.5
123.00888	4.8
125.02455	21.2
129.01923	1.0
136.07692	5.6
139.00340	1.2
139.82774	0.7
141.69189	0.7
151.00345	7.2
151.03970	0.8
161.02385	1.3
161.04567	1.0
169.01332	1.1
175.02478	2.7
198.03641	0.7
263.15009	3.1
288.08749	22.4
321.15860	0.9
329.17316	0.9
439.11026	9.5
439.18155	100.0
440.11771	1.0
440.18515	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	439.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49243	0.4
59.01376	1.9
61.98849	0.5
67.20010	0.5
69.17207	0.4
71.01380	0.8
79.01902	0.6
79.95740	45.6
80.96520	11.1
85.02953	0.8
89.21622	0.5
95.01393	0.7
96.96006	12.8
106.04227	0.9
108.02171	1.0
109.02957	13.7
113.02465	0.6
123.00888	7.7
123.04523	1.7
124.01735	0.6
125.02430	3.3
136.07684	9.5
137.02425	0.7
139.00345	1.8
141.01982	1.5
146.48727	0.5
151.00365	10.7
158.03804	0.7
159.04515	6.2
161.06061	0.7
169.01396	1.1
173.06049	4.4
176.51489	0.5
189.05559	4.6
190.06265	0.9
191.07158	3.4
203.07117	1.7
205.08661	0.6
240.04271	2.2
241.05057	9.8
242.05464	0.6
255.06622	6.0
256.07211	1.0
265.08817	0.6
267.06610	0.6
269.08188	2.4
281.08231	1.1
283.09592	0.8
288.08777	21.4
295.09955	0.9
298.08615	1.3
299.09293	7.2
300.09558	1.0
313.10773	9.2
314.11273	1.2
329.10205	4.1
341.58145	0.5
343.11993	2.3
344.12650	29.4
345.12973	3.4
359.14969	20.3
360.15207	2.4
439.10681	100.0
440.11035	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	439.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87926	0.3
54.75699	0.3
57.03439	0.3
59.01375	1.0
62.52645	0.2
66.14999	0.2
71.01370	0.6
71.31602	0.6
72.99348	0.3
78.60452	0.3
79.95742	10.8
80.96516	0.5
85.02964	0.3
92.82632	0.3
95.95232	2.1
96.96014	100.0
109.02985	0.3
110.97582	10.0
111.04508	0.5
112.65900	0.3
113.02416	0.4
121.03009	0.6
122.97585	0.4
123.00886	1.0
125.02444	2.7
135.04482	0.5
136.07693	0.6
137.02446	0.4
141.95882	0.3
151.00360	1.5
156.97693	0.3
169.01369	0.6
177.01968	0.3
179.07173	0.4
183.87639	0.3
197.65372	0.3
223.09714	0.5
260.03641	1.0
261.12119	0.3
269.08118	2.3
273.04453	0.6
281.08289	0.5
283.09717	0.5
287.05157	1.1
288.08786	1.7
295.09622	0.3
299.09134	1.9
300.09988	0.5
305.06671	0.5
311.09351	1.1
314.11600	6.6
315.12100	1.2
325.11157	0.3
326.11649	1.8
329.13974	3.9
341.13788	0.7
393.06561	0.5
394.07224	2.8
395.08029	0.5
403.14438	0.4
409.09607	10.9
410.10092	1.0
415.97803	0.3
421.09814	1.8
433.88928	0.3
439.10666	61.9
440.11026	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	439.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01376	2.7
61.98822	1.0
62.83436	0.4
69.45547	2.7
71.01379	0.7
73.02941	0.4
79.95736	9.7
80.92530	0.4
85.02935	0.6
87.16952	0.3
95.05048	0.4
95.95220	2.5
96.96009	100.0
109.02950	1.5
110.97577	11.5
113.02448	0.6
119.05007	0.5
121.02976	1.4
123.00874	1.5
123.04512	0.6
125.02452	3.4
129.34064	0.4
135.04546	0.8
136.07660	1.2
137.02438	1.1
139.00371	0.7
141.02103	0.4
145.02994	1.0
149.02519	0.5
151.00388	2.0
151.03888	0.5
161.02477	0.7
165.01935	0.6
169.01410	1.2
179.10936	0.5
180.07959	0.5
180.32469	0.4
203.07175	0.7
223.09772	0.7
225.77618	0.4
236.18140	0.4
259.03113	0.6
260.03635	1.3
269.08246	2.2
283.09644	0.6
287.05621	0.7
288.08768	4.6
289.07062	2.8
295.09555	0.6
299.09235	1.6
307.13309	0.4
311.09348	1.1
314.11557	6.3
315.12152	1.1
326.11560	1.7
329.13910	3.3
341.14279	0.9
349.10687	0.4
394.07114	2.6
409.09637	8.1
410.10080	1.3
421.09570	2.0
439.10660	60.0
440.10904	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	439.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04250	0.4
69.32957	0.8
69.33380	2.7
73.02198	0.4
73.62250	0.3
79.95746	11.0
80.77925	0.3
95.95247	2.6
96.96014	100.0
98.20595	0.7
110.97577	11.1
120.91920	0.5
134.16074	0.4
184.73454	0.4
212.92033	0.5
219.85274	0.4
223.09795	0.7
260.03619	1.4
269.08148	2.4
283.09915	0.7
290.15427	0.4
296.96924	0.4
299.09274	2.0
311.09155	0.8
314.11517	6.4
315.12015	0.9
326.11536	1.2
329.13986	3.5
341.13812	0.8
345.05963	0.4
376.06583	0.5
388.60626	0.4
394.07263	3.4
395.07446	0.6
409.09601	10.1
409.15033	0.5
410.09842	1.5
421.09961	1.8
422.09760	0.6
439.10657	62.7
440.10999	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	439.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68393	0.7
57.03441	4.1
58.24008	0.7
58.24945	0.8
59.01390	5.4
59.01632	1.0
61.63004	0.8
61.83228	0.7
67.01858	0.8
69.03453	2.1
70.70296	1.1
70.70628	1.9
71.01381	3.3
72.99316	1.6
75.00860	1.8
79.01894	1.6
81.03428	1.6
83.01373	2.4
85.02930	1.9
89.02447	1.3
95.01389	1.8
96.96006	5.4
97.02932	1.8
97.91348	0.8
101.02435	0.9
107.01387	6.4
111.00868	2.2
123.00894	10.6
124.01652	16.7
125.02450	82.9
126.02779	3.4
135.03014	7.4
136.98808	1.2
137.02455	2.1
139.00380	2.7
139.03986	0.9
140.01213	1.5
142.05209	0.8
149.02455	1.0
151.00325	4.2
151.03972	1.3
165.01938	1.5
165.05515	1.6
167.03528	1.9
168.00639	4.2
169.01419	46.0
170.01733	1.9
179.03380	1.1
191.24037	0.8
195.06593	1.2
211.02461	5.4
241.03473	1.1
246.28119	0.9
271.04620	10.3
272.04816	1.0
287.04034	3.5
287.07416	1.6
290.95267	0.8
297.06174	1.1
305.07175	0.8
313.05646	15.0
369.48697	1.0
373.16602	0.9
432.47531	0.9
439.08795	100.0
440.09109	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	439.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.6
67.56304	0.5
69.03446	2.9
71.01389	3.5
71.23240	0.8
72.99298	0.6
75.00879	4.4
79.01904	1.6
79.95752	0.6
81.03474	0.8
83.01385	2.1
85.02954	1.8
87.00877	0.8
89.02436	1.2
95.01389	1.8
96.96040	2.5
97.02974	3.4
101.02424	0.9
107.01395	7.5
111.00896	1.5
113.02448	1.6
123.00896	6.9
124.01682	5.3
125.02453	100.0
126.02813	3.2
127.00411	0.6
127.08662	0.5
129.08038	0.5
134.03731	0.6
135.03009	19.5
136.03342	0.7
136.98819	0.6
137.02472	0.8
139.00366	1.7
140.01196	2.2
141.01915	0.6
146.08231	1.8
147.08540	0.6
149.06059	0.6
151.00360	4.0
153.09164	1.2
165.05534	1.2
167.03487	0.7
168.00624	2.7
169.01421	36.0
170.01756	1.5
175.04030	0.5
183.03017	3.7
195.06604	1.2
211.02472	1.2
253.03438	0.6
255.12334	0.7
271.04611	1.5
278.10226	1.0
287.04092	8.2
287.07669	4.4
297.06216	0.8
313.05658	14.7
314.05948	1.2
439.08768	59.9
439.17786	1.9
440.09103	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	439.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48363	0.3
60.52549	0.3
67.80267	0.3
71.01331	0.4
71.51234	0.6
74.81390	0.3
75.00874	0.6
78.95900	45.2
79.95734	0.6
93.26196	0.3
96.96043	13.7
96.96957	100.0
97.97379	0.4
107.01372	0.4
125.02439	3.1
135.02988	1.6
138.25668	0.4
169.01402	1.7
197.85844	0.5
287.03973	1.1
313.05505	0.5
376.33466	0.4
385.68674	0.5
439.08655	3.2
439.14035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08448	0.3
50.72821	0.3
70.20538	1.0
73.12711	0.3
78.95902	44.8
96.96034	22.3
96.96957	100.0
117.75479	0.3
119.17045	0.3
232.98651	0.3
323.47104	0.4
439.08524	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.0
58.00638	0.5
59.01379	4.6
61.98829	1.1
63.16206	0.5
68.99800	0.5
69.03445	1.2
71.01391	4.7
71.52823	0.7
72.99298	2.1
73.02942	0.8
75.00876	20.4
79.01871	0.8
79.95719	0.5
81.03453	0.8
83.01379	1.1
85.02944	1.4
87.00880	1.0
89.02451	5.5
89.53259	0.4
95.01397	1.3
96.96013	9.1
96.97005	0.8
97.02967	1.6
99.00910	0.6
101.02460	1.8
105.36217	0.5
107.01390	8.1
107.05087	0.5
107.12527	0.5
109.02985	1.4
111.00876	1.6
111.08230	0.6
113.02456	1.9
117.01959	1.9
120.01254	0.7
121.02915	1.0
123.00906	4.6
124.01704	3.1
124.19865	0.5
125.02448	100.0
126.02776	4.7
135.02998	88.6
136.03339	1.6
137.02451	1.4
138.05611	0.6
139.00371	1.5
140.01170	1.4
141.02043	0.5
146.08244	1.4
149.06018	0.6
150.03239	1.0
151.00340	3.6
151.03915	0.9
165.01904	1.0
165.05562	1.4
166.02661	0.6
167.03481	1.8
168.00665	1.8
169.01425	43.0
170.01749	1.9
175.02522	0.7
175.04016	0.9
177.01920	1.3
180.04272	0.7
187.04015	0.6
189.11354	0.8
195.06654	2.1
195.57260	0.5
211.02504	1.1
228.06659	0.7
243.02945	0.9
269.03036	1.7
271.04562	0.8
277.07199	3.1
278.10278	1.2
287.04132	36.6
287.07727	11.8
288.04446	3.0
288.08347	1.4
301.03537	0.5
313.05624	9.7
314.06042	0.6
376.08392	0.6
408.74786	0.6
421.24542	2.0
439.08899	37.3
439.18097	1.4
439.25269	4.4
440.09045	5.4
450.06796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27722	0.6
50.94934	0.6
58.89484	0.6
59.01381	3.0
61.98829	100.0
69.45308	2.6
69.45719	1.8
71.01392	1.8
72.99345	0.8
75.00878	1.0
78.95911	1.6
85.02943	1.6
87.00890	0.8
89.00327	0.6
89.02457	1.2
96.96011	2.2
96.96971	2.9
102.05614	1.2
107.01424	1.1
107.55489	0.5
113.02467	1.5
123.00877	1.4
125.02441	13.4
135.03026	1.9
137.02420	0.8
151.00360	0.7
168.00644	0.6
169.01416	6.0
185.38876	0.6
193.25737	0.6
243.03036	1.2
287.04126	0.8
313.05676	1.1
375.09503	1.3
438.16226	1.6
439.08984	7.9
439.14642	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	438.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	5.6
60.65491	1.9
61.98834	14.8
69.71484	10.3
71.01372	5.7
78.95921	1.8
83.01374	1.8
85.02932	3.1
87.94476	1.8
89.02433	1.9
95.01392	2.2
96.96016	12.3
96.96954	2.5
101.02422	4.8
101.78772	1.7
107.01379	3.2
111.00905	1.9
111.40289	1.5
113.02432	3.8
118.88235	1.6
123.00844	11.1
125.02454	36.4
135.02991	3.4
137.02463	1.9
139.00359	4.6
140.01024	2.5
151.00388	12.6
164.37721	1.7
168.00583	4.2
169.01437	30.0
211.02397	3.0
313.05600	3.5
325.01825	2.2
375.09296	100.0
376.09772	10.1
376.14130	1.7
439.08667	11.1
439.14185	3.2
455.15103	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	437.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01650	64.8
71.53324	100.0
84.81422	63.0
92.72795	55.6
97.00493	57.7
168.38597	70.1
169.05698	67.6
195.82326	69.0
215.95445	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33030	1.1
55.01876	1.9
57.03448	5.9
57.42966	1.1
58.62388	1.1
59.01101	1.9
59.01377	25.2
61.98816	2.2
69.03442	1.8
69.88871	3.8
71.01381	32.8
72.99303	5.4
73.02932	2.5
75.00871	35.1
77.03536	1.3
83.01380	2.7
85.02447	2.2
85.02950	37.7
86.03281	1.4
86.69774	1.4
87.00869	11.7
89.02435	10.7
90.82880	1.1
95.01385	4.0
96.95976	2.2
97.02918	1.5
98.19984	1.6
99.00874	13.2
101.02454	6.6
101.21912	1.2
103.00397	1.3
104.85002	1.3
111.00885	2.1
113.01711	2.1
113.02448	32.5
115.00360	2.0
117.01913	2.0
119.03499	4.1
123.00851	1.3
123.04526	2.3
125.02412	5.9
131.03491	1.2
151.00340	1.4
169.01369	3.9
173.04486	2.8
175.02431	3.5
190.27007	1.1
219.14049	1.3
221.51920	1.1
232.22949	1.2
374.11649	9.5
432.13156	1.4
437.11145	5.7
437.16580	100.0
437.23495	5.2
438.17078	11.1
438.22903	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	437.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33030	1.1
55.01876	1.9
57.03448	5.9
57.42966	1.1
58.62388	1.1
59.01101	1.9
59.01377	25.2
61.98816	2.2
69.03442	1.8
69.88871	3.8
71.01381	32.8
72.99303	5.4
73.02932	2.5
75.00871	35.1
77.03536	1.3
83.01380	2.7
85.02447	2.2
85.02950	37.7
86.03281	1.4
86.69774	1.4
87.00869	11.7
89.02435	10.7
90.82880	1.1
95.01385	4.0
96.95976	2.2
97.02918	1.5
98.19984	1.6
99.00874	13.2
101.02454	6.6
101.21912	1.2
103.00397	1.3
104.85002	1.3
111.00885	2.1
113.01711	2.1
113.02448	32.5
115.00360	2.0
117.01913	2.0
119.03499	4.1
123.00851	1.3
123.04526	2.3
125.02412	5.9
131.03491	1.2
151.00340	1.4
169.01369	3.9
173.04486	2.8
175.02431	3.5
190.27007	1.1
219.14049	1.3
221.51920	1.1
232.22949	1.2
374.11649	9.5
432.13156	1.4
437.11145	5.7
437.16580	100.0
437.23495	5.2
438.17078	11.1
438.22903	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	437.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13509	0.5
55.01866	2.4
57.03451	4.6
59.01377	10.3
67.01875	0.7
69.03468	0.8
70.81756	1.8
71.01383	22.2
71.22429	0.6
72.99304	4.2
73.02956	4.2
75.00873	26.6
79.29021	0.5
83.01392	2.4
85.02950	29.1
86.03290	0.9
87.00879	7.7
89.02458	3.0
94.85998	0.7
95.01416	3.4
97.02917	1.0
99.00874	8.6
101.02451	8.2
111.00885	1.7
112.01656	1.0
113.02451	25.5
115.00368	2.0
117.01912	1.7
125.02470	2.3
125.06077	0.8
129.01933	1.3
133.01430	1.0
137.02498	0.6
157.01427	0.9
159.03059	0.9
161.04549	1.7
169.01418	2.1
173.04431	1.0
175.02444	2.6
227.43581	0.7
249.05891	0.7
261.13342	3.1
319.13730	0.7
437.16623	100.0
438.16943	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	436.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.7
61.98831	20.7
69.59708	5.2
69.60119	4.9
71.01373	15.4
72.99335	1.7
73.02959	2.1
75.00867	8.0
85.02950	10.8
87.00865	3.5
89.02451	3.0
95.66560	1.7
96.95992	2.3
97.02962	1.6
99.00871	3.4
101.02407	7.5
107.01365	3.2
110.42487	1.8
111.00877	2.6
113.02448	12.1
119.03427	1.9
120.62592	1.5
123.00889	12.0
123.04475	2.9
124.01651	2.1
125.02443	14.9
130.94287	1.5
139.00371	5.1
140.01099	2.1
151.00348	9.0
156.26129	1.7
164.51936	1.6
168.00551	4.0
169.01439	18.2
323.99808	1.7
330.53302	1.8
373.11389	100.0
374.11761	11.2
376.62665	1.7
421.08865	1.7
437.10739	6.3
437.16541	31.9
437.23740	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	437.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13509	0.5
55.01866	2.4
57.03451	4.6
59.01377	10.3
67.01875	0.7
69.03468	0.8
70.81756	1.8
71.01383	22.2
71.22429	0.6
72.99304	4.2
73.02956	4.2
75.00873	26.6
79.29021	0.5
83.01392	2.4
85.02950	29.1
86.03290	0.9
87.00879	7.7
89.02458	3.0
94.85998	0.7
95.01416	3.4
97.02917	1.0
99.00874	8.6
101.02451	8.2
111.00885	1.7
112.01656	1.0
113.02451	25.5
115.00368	2.0
117.01912	1.7
125.02470	2.3
125.06077	0.8
129.01933	1.3
133.01430	1.0
137.02498	0.6
157.01427	0.9
159.03059	0.9
161.04549	1.7
169.01418	2.1
173.04431	1.0
175.02444	2.6
227.43581	0.7
249.05891	0.7
261.13342	3.1
319.13730	0.7
437.16623	100.0
438.16943	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	436.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52981	0.7
56.01543	0.7
57.03196	0.9
57.03448	12.5
59.01377	32.1
61.98818	1.2
63.02393	1.2
65.00314	3.8
67.01862	1.1
69.03448	1.5
69.17707	5.1
69.18127	2.6
71.01392	4.2
72.99301	1.1
73.02942	2.4
75.00852	0.9
83.01395	5.5
85.02966	4.7
87.00881	1.8
89.02422	2.1
93.03436	2.1
95.01383	7.1
96.96010	7.2
98.20613	1.4
99.00898	0.8
101.02410	2.9
107.01405	7.0
111.00880	3.0
113.02427	2.3
113.19833	0.7
121.02897	1.6
123.00896	12.6
123.04519	11.2
124.01684	10.4
125.02444	100.0
126.02737	3.5
130.08694	0.9
135.04512	0.9
137.02414	2.4
138.05589	0.9
139.00374	5.1
140.01115	1.9
141.01962	1.1
150.99205	1.7
151.00368	30.8
151.03996	0.8
152.01152	31.1
153.00105	2.8
153.01779	1.7
154.00922	5.9
163.00400	0.9
165.01912	5.1
165.05653	1.0
167.03413	1.7
167.98843	1.5
168.00594	2.1
169.01413	19.3
169.03084	0.9
178.00749	0.9
178.99857	30.3
179.98781	1.3
180.00197	1.9
180.99561	1.1
182.00385	3.7
185.99876	2.2
187.03963	1.4
191.01784	1.5
197.02689	2.2
203.01747	0.8
204.02399	1.1
206.00398	1.0
207.98289	3.2
213.05432	0.9
219.01231	1.1
220.01907	1.2
221.02711	1.2
223.00720	8.8
224.01244	2.1
227.03319	1.2
229.04958	2.9
230.00247	1.9
230.05405	2.1
232.06151	1.0
239.03661	1.0
245.02739	3.4
246.03462	1.4
247.00726	4.7
248.01434	6.0
255.02966	2.0
257.04608	1.3
261.02267	1.4
262.03018	1.2
263.03699	3.2
264.04163	0.8
272.01407	2.2
274.04370	1.2
283.02368	3.1
287.03632	1.0
290.02527	14.1
291.02902	1.3
305.04874	9.6
306.02151	3.7
306.05145	1.3
313.05521	2.9
316.00443	15.3
317.00632	2.1
321.04364	8.2
331.02780	32.9
332.03000	3.1
349.03836	68.2
350.04196	6.5
355.42459	1.0
392.08228	0.9
408.07434	1.5
418.05969	7.2
436.06931	26.1
436.16452	1.8
436.22318	1.9
437.11023	50.4
437.23441	3.6
455.32635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2514
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
59.01370	1.6
78.95907	56.9
96.95998	1.2
96.96958	4.9
98.20663	1.9
103.77773	0.7
104.90798	0.8
106.51553	0.7
110.98547	1.6
119.70357	0.7
120.50196	0.7
125.14225	0.6
126.11942	0.7
150.98013	1.9
152.99591	100.0
153.99904	1.7
171.00648	3.5
227.81264	0.7
267.23309	6.6
268.23685	0.7
281.25003	1.5
435.25070	9.5
436.25562	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.8
55.27408	1.8
57.03444	2.8
59.01380	100.0
60.01721	3.1
61.01788	1.7
61.98795	1.6
70.01134	6.3
71.01381	22.5
72.99300	2.1
73.02933	6.1
75.00871	5.9
83.01383	3.5
83.05038	1.8
85.02945	13.8
87.00840	3.1
89.02448	6.1
90.59082	1.8
93.03450	22.2
95.01401	1.7
96.95992	5.6
97.02950	1.5
98.95590	1.7
99.00865	4.3
101.02438	27.4
107.01389	2.7
113.02457	7.5
115.92062	2.4
116.92836	5.8
119.03462	2.7
123.00900	1.9
123.04526	85.0
123.17568	1.5
124.04838	5.6
125.02422	7.0
131.91306	1.6
135.04482	1.9
137.02448	53.5
138.02785	1.8
139.11252	8.7
147.03011	5.0
151.00375	3.1
151.03987	2.2
152.01143	2.9
153.05579	63.6
154.05907	4.3
161.04547	2.2
165.04041	5.0
166.02631	2.1
169.01418	6.9
178.99879	2.9
179.03328	1.9
181.05048	3.8
181.12350	4.8
183.10287	9.1
191.03444	2.8
199.13345	2.5
209.11787	5.8
211.08876	2.2
225.11234	3.2
225.14981	3.8
227.12886	27.5
243.10115	2.6
243.12372	35.2
244.12701	3.6
255.15842	1.8
269.13910	6.5
273.07736	2.8
281.06665	95.0
282.06866	8.8
287.15002	75.8
287.18182	4.1
288.02734	5.1
288.15259	4.2
317.06522	2.3
345.19345	2.0
357.13760	1.8
387.14606	3.5
435.12994	6.7
435.17758	34.5
436.18613	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	435.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
56.10719	0.8
57.03436	1.4
59.01380	81.0
65.99809	0.8
69.16492	0.7
69.47752	6.1
71.01385	3.8
73.02943	1.9
75.00848	2.2
76.31638	0.8
83.01366	1.0
85.02931	2.9
87.00859	1.1
89.02425	2.1
93.03448	1.3
99.04507	2.4
101.02424	2.5
113.02401	2.6
118.63799	0.7
124.16572	0.8
125.02457	1.4
147.02979	2.2
165.03979	3.2
165.12791	2.2
169.01329	1.3
172.47787	0.9
183.10178	1.0
183.67325	0.9
186.94174	0.8
195.45987	0.9
207.13808	2.9
209.11795	5.9
225.14981	4.2
227.12883	36.9
228.13211	1.9
243.12317	2.8
251.12784	1.7
267.07108	2.8
269.13913	7.7
287.14993	100.0
288.15323	7.4
326.96237	0.8
400.78287	0.9
411.40555	0.9
435.13486	1.8
435.18549	30.9
436.18890	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	435.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04597	1.9
57.03434	2.8
59.01381	19.5
61.98813	2.7
69.03452	2.5
71.01391	13.3
71.01751	2.6
71.38756	1.9
71.54324	2.6
72.45589	2.1
79.01888	2.2
79.04073	2.1
83.01401	2.2
85.02934	8.7
87.00874	3.5
89.02431	7.6
95.01373	3.2
96.95989	2.8
99.00858	2.6
101.02410	8.0
107.01384	6.9
111.00883	4.8
113.02444	5.9
119.03522	2.8
121.05083	3.0
123.00880	14.2
125.02447	37.7
126.02793	2.8
133.02937	2.0
137.02408	3.1
139.00333	5.7
140.01106	2.7
141.01900	3.4
145.02867	2.8
149.02443	11.8
150.03209	20.9
151.00366	12.6
151.03932	2.4
161.04616	3.3
163.00378	2.4
163.04021	2.3
164.01118	2.6
164.04745	8.4
165.01907	4.1
165.05562	47.4
166.05894	2.4
169.01425	34.9
170.01695	2.4
170.19133	1.8
177.01920	12.9
178.02345	2.6
179.03452	3.4
191.03563	4.4
195.06601	16.0
196.06923	2.4
211.02408	6.9
219.02925	3.9
254.20253	2.1
271.04529	8.3
301.38220	2.3
313.05612	2.6
327.10712	10.1
328.11020	3.2
345.05991	2.7
345.14600	3.2
362.11038	2.2
435.11334	100.0
436.11798	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14215	0.5
55.01873	0.6
57.03439	1.3
59.01384	10.0
59.42401	0.5
61.98829	0.6
67.37456	0.8
68.99818	1.0
69.03467	1.1
69.17390	4.1
69.17799	1.6
71.01379	3.1
73.02958	0.8
75.00849	0.6
80.02654	0.7
81.03458	11.6
83.01390	4.0
85.02957	1.4
87.00848	0.6
87.04538	0.5
89.02427	1.1
93.03458	5.7
95.01383	1.9
95.05022	9.5
96.96024	2.1
97.02952	5.3
98.95598	1.3
99.04527	4.6
99.92590	1.2
101.02442	1.1
105.03459	0.7
107.01361	1.1
107.05009	1.0
107.53695	0.5
109.02968	0.9
111.04523	0.9
113.02467	2.8
119.05029	7.8
121.02927	1.8
122.03720	1.1
122.95404	0.5
123.00829	0.9
123.04533	17.0
124.04807	0.8
125.02454	23.2
125.92764	0.5
126.02765	1.3
135.04526	2.1
137.01491	0.7
137.02423	3.2
137.05098	0.9
137.06088	13.0
138.03221	0.7
138.06413	0.9
139.04022	2.9
141.05554	0.8
145.06593	0.7
147.04512	1.7
149.06055	1.2
151.00352	1.7
151.04007	1.4
153.01965	0.7
153.05534	0.7
155.03487	1.5
163.00342	1.2
163.03986	0.7
163.07692	0.6
165.02036	0.6
165.05563	6.9
167.03493	50.1
168.03818	2.1
169.01479	2.7
178.15619	0.6
179.03490	9.1
180.04018	0.7
181.05072	2.0
182.02158	1.3
182.65486	0.5
189.05571	4.3
191.03470	0.9
193.05103	1.8
197.04573	4.4
209.04539	14.8
221.04536	2.8
231.06581	1.1
239.05527	1.2
271.09821	0.7
273.03128	0.6
273.07642	9.1
274.08197	0.7
285.07761	1.9
301.03467	0.8
302.03418	1.2
303.04227	1.6
312.76340	0.6
313.05835	1.8
315.08743	100.0
316.09018	10.6
327.08737	1.9
345.09781	24.9
346.10138	2.6
357.09698	1.3
360.09598	0.8
375.20154	1.3
416.95599	1.0
417.11975	1.8
435.13379	7.1
435.23087	0.9
436.12930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86987	0.7
57.03435	1.5
59.01384	8.1
69.03468	1.7
69.18891	6.9
71.01385	2.8
73.02935	1.2
81.03451	9.4
83.01379	4.1
89.02457	0.6
92.45097	0.8
93.03495	3.6
95.01378	1.6
95.05037	10.2
96.96040	1.5
97.02962	5.8
98.95576	0.8
99.04534	3.8
99.92612	0.9
105.03458	1.0
107.01392	0.8
109.02935	1.7
111.04494	0.9
113.02448	1.9
119.05020	8.1
121.02998	1.1
123.00859	1.1
123.04529	17.4
125.02450	21.2
126.02802	1.4
130.08549	0.8
135.04524	2.2
137.02448	2.5
137.06093	11.8
139.02922	0.8
139.03983	3.8
141.05638	1.0
147.04506	2.2
149.02423	1.2
151.00349	1.6
151.03986	1.4
153.01935	0.8
155.03506	0.7
165.01913	1.0
165.05580	7.7
166.05986	0.9
167.03494	49.7
168.03845	2.1
169.01387	2.0
169.97946	0.8
177.05627	0.7
179.03517	9.4
181.01381	0.8
181.05019	2.4
189.05573	5.3
193.05151	0.8
197.04506	3.8
207.02956	0.8
209.04561	16.5
210.04945	1.3
221.04520	3.2
239.05588	1.5
271.09766	0.7
273.07635	7.9
274.08109	0.7
285.07773	1.7
303.04285	0.7
313.05695	1.5
315.08749	100.0
316.09027	10.9
327.08813	1.6
337.38049	0.7
345.09799	25.0
346.10080	2.8
398.94531	1.1
416.95404	0.8
417.11432	1.1
435.13174	7.3
435.18268	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17506	0.3
57.03449	2.0
59.01384	0.6
64.71674	0.3
65.00325	1.7
69.21089	3.3
81.00070	0.3
81.03457	10.5
83.01382	4.5
83.88353	0.3
93.03456	7.7
93.04018	0.6
94.58861	0.3
95.01371	0.6
95.05042	0.5
99.04521	0.4
101.03277	0.3
102.61503	0.3
107.01373	1.5
119.05025	10.4
120.05367	0.7
122.59467	0.4
123.04523	32.3
124.04876	1.3
125.02449	16.3
126.02824	0.7
133.37109	0.3
135.04509	1.3
137.02434	0.5
140.71799	0.3
146.32260	0.4
149.02480	1.8
151.00352	2.8
163.04034	0.3
165.05598	0.4
167.03488	83.5
168.03847	3.3
169.01396	0.7
171.01920	0.4
179.03477	8.6
180.03778	0.6
186.32462	0.4
187.07608	1.0
189.05562	1.8
191.03464	0.7
211.07623	0.6
229.08670	0.8
255.06648	1.2
273.07669	100.0
274.08017	10.9
274.10977	0.6
332.70071	0.3
372.73441	0.4
435.12387	2.6
437.83347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73176	1.1
53.87682	1.1
59.01381	11.8
61.98831	10.2
65.03967	5.9
69.03468	1.3
71.01367	5.0
73.02962	2.0
79.01879	1.3
83.01394	2.2
85.02969	2.2
89.02461	2.3
93.03488	3.3
95.01388	1.5
96.95985	2.6
97.02934	1.1
101.02448	3.3
102.71812	0.9
107.01399	1.4
107.05034	43.3
108.02193	1.6
108.05343	2.3
109.02956	15.5
113.02459	1.6
119.05013	1.1
121.02961	20.1
122.03753	26.0
123.00883	4.2
123.04632	4.8
124.01663	10.8
125.02452	29.9
133.02989	1.5
135.00885	2.7
135.04538	1.1
137.02425	4.7
145.02948	1.8
147.04440	1.2
149.99599	16.7
150.03212	4.6
151.04013	100.0
152.04341	3.3
154.02681	3.6
161.04588	2.1
161.70676	1.2
163.04024	5.3
167.03481	2.6
168.00653	29.0
169.01389	3.4
177.01971	5.2
182.02205	4.1
184.28299	1.0
189.01938	9.5
190.02658	1.8
191.03520	1.5
209.06108	2.1
211.07690	2.7
216.00613	1.4
217.01450	7.0
218.01819	1.2
219.03050	3.6
220.98151	1.0
227.07164	1.8
229.08701	54.1
230.09033	3.8
231.02884	2.4
255.06622	5.2
273.07697	69.9
274.07941	5.3
289.16614	3.9
313.05865	1.8
315.08746	1.6
341.06647	21.6
342.07022	2.3
349.83209	1.1
417.08322	2.7
435.08420	20.3
435.13889	70.9
436.08569	2.2
436.14148	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38814	0.4
53.94160	0.4
55.01862	0.8
58.00579	0.8
58.63111	0.4
59.01378	12.1
61.98830	3.9
62.85544	0.4
63.59425	0.4
67.01868	0.9
69.03437	0.8
71.01386	7.0
71.32162	1.1
72.99304	1.6
73.02934	2.3
75.00848	0.7
79.01882	1.5
79.95754	0.6
81.03452	0.7
83.01369	1.9
85.02943	3.9
87.00863	1.1
89.02422	0.8
95.01392	2.9
96.96025	1.4
97.02946	0.6
99.00879	2.0
101.02420	4.8
101.83233	0.5
107.01376	5.1
110.00060	0.6
111.00878	3.7
113.02449	2.9
119.05018	1.3
123.00888	16.4
124.01705	1.0
125.01514	1.0
125.02441	20.0
127.00381	1.3
135.04498	0.5
136.98778	1.7
137.02414	0.8
139.00362	7.0
140.01180	3.6
141.01936	2.3
145.02936	0.7
151.00362	13.4
152.00670	0.9
153.01923	4.2
161.02406	0.5
161.04651	0.7
168.00659	4.0
169.01414	21.4
170.01772	0.7
179.03362	0.5
179.72430	0.4
192.49991	0.4
195.06442	0.5
204.81848	0.5
211.02417	0.5
236.14171	0.5
258.01563	0.6
262.11905	0.5
273.06726	1.1
273.12366	0.5
280.13065	0.5
313.05722	1.4
337.23907	0.5
340.09570	1.0
375.20520	0.6
435.12952	100.0
436.13300	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	435.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28973	0.6
57.03434	0.9
59.01375	9.4
60.96728	0.6
61.98825	1.2
67.01881	0.8
67.20780	0.6
71.01382	9.2
71.53300	1.1
71.53945	0.7
72.99317	1.2
73.02940	1.2
75.00870	0.9
79.01851	0.6
83.01399	1.4
85.02958	3.5
85.03391	0.5
87.00888	0.9
89.02438	4.8
93.03442	0.6
95.01373	1.9
96.96003	1.5
97.02964	1.1
99.00906	1.4
101.02455	5.6
107.01402	5.0
109.02924	0.7
110.02427	0.6
111.00865	2.0
113.02435	4.0
119.03511	1.3
120.01221	0.9
121.05046	2.3
123.00887	13.9
123.04469	1.3
125.02446	26.9
136.98781	0.7
137.02429	1.6
139.00385	5.4
140.01112	2.8
140.36578	0.6
141.01936	2.2
149.02383	0.7
151.00371	8.5
153.01976	0.8
161.02402	0.8
161.04588	1.1
163.00325	1.4
163.04008	0.9
165.01935	1.7
165.05606	1.2
168.00644	2.5
169.01434	32.5
170.01782	1.0
177.01933	3.0
179.03439	0.8
190.02568	0.8
191.03506	1.3
201.63960	0.6
209.04572	1.0
211.02492	4.6
211.13145	0.6
212.02670	0.6
218.19891	0.6
223.02615	0.8
250.06520	0.8
271.04550	5.4
282.07950	0.7
313.05707	3.2
345.06223	1.2
435.11401	100.0
436.11765	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	434.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34035	1.8
57.52710	2.1
59.01378	20.2
60.01695	2.9
61.98828	100.0
63.05691	1.7
66.35121	2.0
71.01373	2.8
96.96010	3.2
107.15626	1.8
125.02447	3.9
197.47502	1.8
281.88449	2.1
434.24606	2.6
435.25955	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	434.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.9
61.98829	100.0
65.49321	0.4
68.87853	0.4
70.52943	0.4
70.53264	1.1
71.01376	1.0
71.87187	0.4
81.03444	1.0
96.96004	6.2
101.02477	0.6
123.08179	0.6
125.02459	2.9
125.06071	1.2
126.02755	0.5
136.18793	0.5
151.00349	1.0
152.01184	0.7
164.07195	0.8
165.09204	12.1
166.09621	0.9
167.03404	0.8
169.01468	0.9
205.08614	0.5
209.08177	41.0
210.08394	2.6
211.68929	0.5
214.21690	0.4
223.09683	1.1
233.08150	11.7
234.08589	1.0
236.99188	0.4
251.09207	4.4
263.09232	0.9
307.40115	0.5
311.11288	0.6
371.13455	21.6
372.13971	2.0
433.66135	0.5
434.21976	0.6
435.20517	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	434.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33901	2.1
59.01379	13.4
61.98833	100.0
71.01397	4.3
71.54259	3.1
74.44214	2.1
78.95900	2.5
79.75834	1.9
85.02946	2.1
86.41675	2.3
93.95914	2.1
95.11085	2.1
96.95977	11.3
99.16723	2.2
101.02454	3.0
105.23701	2.3
113.02457	2.1
125.02448	3.5
140.41588	2.2
140.80023	2.3
151.40964	2.2
169.01419	2.6
197.11763	2.8
198.12187	3.1
221.41170	2.4
226.29469	2.2
252.87364	2.4
288.02679	3.3
435.20639	9.9
447.84662	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37380	1.4
55.01872	2.0
55.28379	1.5
57.03447	3.7
59.01099	2.5
59.01376	35.5
61.98828	1.9
67.01900	1.9
68.99818	3.2
69.03454	2.3
71.01383	33.4
71.23399	1.3
71.54464	1.5
72.99303	8.0
73.02933	2.4
75.00865	22.0
83.01363	2.9
84.04514	1.8
85.02947	29.0
87.00874	10.6
89.02450	7.9
93.03423	2.2
94.02998	1.7
95.01397	7.2
96.95999	4.0
99.00888	13.1
101.02448	2.1
110.02474	4.1
111.00854	1.8
112.04036	31.6
113.02442	31.1
114.59845	1.6
115.00400	2.3
117.01928	5.0
119.03404	2.1
122.06099	2.8
123.00893	2.2
124.04034	26.5
125.02432	7.0
126.02831	1.6
129.01056	1.5
129.01910	2.0
140.07152	11.2
147.04472	1.5
157.01355	1.8
161.04665	1.5
166.05080	34.3
169.01384	5.4
170.01723	2.5
175.02438	4.1
184.06139	49.2
191.03497	1.8
193.05020	1.9
195.25383	1.4
205.07094	1.7
207.05048	2.0
230.45695	1.7
231.05119	4.1
249.06120	67.9
250.06548	4.7
258.09799	2.7
267.07199	39.5
268.07367	2.5
434.13098	100.0
435.13559	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	433.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.3
71.02363	1.3
78.95905	67.8
96.65003	0.4
96.96970	4.9
119.20526	0.5
124.50156	0.6
135.75598	0.4
143.11987	0.8
150.97998	1.1
152.99585	100.0
153.99931	1.6
154.95984	0.5
171.00607	3.5
279.23425	1.7
305.03522	0.5
374.03384	0.5
402.90854	0.5
433.23486	12.4
434.23911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2359
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01367	1.1
62.96420	0.3
70.52888	0.3
78.95904	63.5
96.96964	6.3
107.46167	0.3
109.92487	0.3
132.41548	0.3
133.02939	1.5
135.04477	0.5
135.27016	0.3
138.34106	0.3
138.95389	0.3
150.97995	2.1
152.99585	100.0
153.99947	1.4
161.02440	9.0
162.02893	0.3
164.26743	0.3
168.19379	0.3
171.00645	3.5
218.04903	0.3
229.18228	0.4
271.22852	0.6
279.23242	0.9
280.23392	0.4
385.94556	0.3
433.23297	8.4
434.23740	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89293	0.7
55.01873	1.6
57.03432	1.7
58.00584	1.0
59.01379	53.4
61.98813	1.3
67.01885	1.2
69.17970	7.5
71.01382	28.1
72.99319	1.5
73.02944	7.7
75.00848	1.4
79.01888	1.0
82.95023	0.7
83.01382	3.0
85.02526	0.9
85.02958	11.6
87.00871	2.2
87.03001	0.8
89.01980	0.7
89.02448	6.5
95.01377	3.9
97.02942	1.6
99.00861	2.6
101.02442	17.3
102.02737	0.7
107.01376	6.1
111.00868	2.5
113.02455	11.5
119.03474	3.2
123.00889	15.7
125.02443	20.1
126.02790	1.2
129.01927	1.3
130.24057	0.7
133.86356	0.7
136.98883	1.2
137.02396	1.4
137.09653	0.9
139.00369	6.2
140.01122	3.5
141.01901	2.6
143.03412	0.9
144.69077	0.8
151.00363	12.4
151.04048	0.8
153.01855	0.9
154.99925	1.0
159.02960	2.4
161.04552	18.8
162.04860	0.9
168.00635	2.5
169.01411	28.6
179.03438	2.1
181.08714	11.8
211.02483	2.3
271.04584	3.4
313.05695	2.7
319.60992	0.8
343.13803	1.5
373.15045	27.2
374.15314	3.6
417.14246	1.6
433.13376	100.0
434.13550	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	433.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
57.03444	1.6
58.00587	1.2
59.01379	51.2
61.98816	1.0
68.36700	0.7
69.03443	1.5
71.01381	28.1
71.54766	1.0
72.99334	1.7
73.02954	7.3
75.53896	0.6
79.01885	1.4
83.01379	3.6
83.27142	0.7
85.02947	13.3
87.00867	2.4
87.04504	1.2
89.02435	8.6
93.03451	1.7
95.01402	4.3
97.02924	1.9
99.00859	4.4
101.02441	17.5
104.20301	0.7
107.01376	5.9
111.00860	2.9
113.02448	13.4
119.03481	2.6
119.07158	0.8
123.00883	16.6
125.02445	25.9
126.02781	1.1
127.00328	1.5
131.03482	0.7
135.04510	0.8
136.98712	1.1
137.02460	3.7
139.00354	6.6
140.01105	3.1
141.01897	2.1
143.03487	2.0
151.00360	13.4
153.01947	1.6
159.02942	2.4
161.02496	1.0
161.04550	19.7
162.04921	0.9
166.05055	0.9
168.00615	3.2
169.01416	31.9
170.01767	1.5
179.03448	3.1
179.05548	0.8
181.08678	10.8
194.54036	0.9
211.02409	2.6
239.05534	1.2
244.67470	0.7
267.07004	0.9
271.04529	3.1
287.58810	0.8
313.05557	3.2
343.13617	1.5
373.10443	1.4
373.15005	26.0
374.15250	2.5
403.25336	0.9
417.13989	1.7
433.13339	100.0
434.13556	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	433.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02592	0.8
57.03451	13.0
59.01382	10.0
61.98830	9.0
63.38177	1.0
65.00346	1.3
66.47077	1.0
67.08311	0.9
68.99827	1.5
69.03481	1.2
69.44926	2.8
69.45345	4.9
70.37482	1.0
71.01369	2.7
71.64356	1.0
73.02931	1.6
73.72095	1.2
81.03451	5.4
83.01377	2.7
85.02932	1.5
89.02444	1.1
95.01372	1.3
95.05028	2.2
97.02959	2.4
97.06582	4.5
99.04537	2.3
101.02423	1.4
107.01384	1.7
109.02992	1.9
113.02441	2.2
113.06054	1.9
116.88230	1.0
119.05045	3.0
121.02945	1.8
123.00865	2.1
123.04552	2.3
125.02446	100.0
126.02776	3.8
135.00882	14.4
137.02438	3.6
139.03993	2.1
151.00430	2.1
151.03966	2.0
153.01733	0.9
159.04506	1.2
161.02458	5.2
161.06020	1.5
161.09718	3.3
163.04027	1.7
163.07655	1.2
165.01933	3.2
167.03494	62.4
168.03825	2.5
169.01376	4.7
177.01958	2.1
179.03477	1.3
187.07643	2.4
191.10670	1.3
193.12355	1.5
193.39421	1.0
201.05389	1.0
205.13499	1.0
206.76105	1.0
215.07045	1.5
219.10234	2.4
221.08253	1.0
229.05025	1.3
233.08009	1.5
247.09729	2.5
257.08133	1.8
265.10812	38.8
266.11142	3.1
271.06052	4.3
289.10834	10.9
290.11206	1.3
301.16394	1.9
313.05579	8.0
363.39426	1.1
363.60278	1.1
383.11292	2.9
397.12915	2.0
410.03510	1.2
415.13828	9.2
416.14871	1.0
433.10547	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49173	1.6
57.03437	15.8
59.01380	100.0
60.14813	1.5
61.98827	3.7
65.00298	2.5
68.99802	1.9
69.23675	16.4
71.01376	11.6
72.99309	11.5
73.02943	2.9
75.00867	3.0
81.03455	6.6
83.01376	4.3
85.02945	12.2
86.20642	2.1
87.00879	2.1
89.02432	9.8
93.03477	2.3
95.01386	5.3
95.05012	4.6
96.96004	4.1
97.02937	3.1
97.06570	4.0
99.04513	3.8
100.94870	1.8
101.02444	7.5
113.02463	13.0
113.06109	1.8
118.40289	1.7
119.03478	4.0
119.05029	2.0
123.00938	1.8
123.04504	1.8
125.02447	96.4
126.02772	3.4
126.11212	1.8
127.07740	1.7
135.00891	13.7
137.02446	7.7
139.03975	3.8
145.05054	3.6
156.14493	1.7
161.04582	2.4
161.09712	3.8
165.01944	7.8
167.03500	54.5
169.01468	2.1
171.02933	6.4
175.45804	1.5
181.05103	2.1
187.07539	1.9
189.04007	6.6
193.12270	2.8
201.05478	1.6
229.08704	2.1
233.08281	1.9
247.09743	3.1
265.10788	39.1
266.11078	2.9
271.06311	2.2
289.10800	10.6
317.06113	1.5
331.12299	1.6
344.58142	1.6
383.11459	2.7
415.14325	7.6
432.66519	2.4
433.15152	4.2
433.20416	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	433.1349
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
53.87494	0.7
55.01863	0.9
57.03441	0.7
59.01380	18.4
60.72932	0.5
61.98813	0.8
66.82641	0.6
69.03448	0.9
71.01383	12.2
72.99310	0.9
73.02941	3.6
75.00877	0.6
78.19574	0.6
79.01882	1.0
83.01381	2.2
85.02965	5.0
87.00877	1.5
89.02442	4.7
91.84780	0.5
93.03478	1.0
95.01386	2.4
97.02952	0.7
99.00890	0.9
100.96444	0.6
101.02441	8.0
107.01388	4.9
111.00858	2.2
113.02440	4.7
119.03461	1.6
123.00887	15.7
124.01653	1.1
125.02448	19.0
126.02792	1.2
127.00349	1.0
136.98766	1.5
137.02461	1.1
139.00369	4.8
140.01207	2.9
140.02092	0.6
141.01942	1.5
151.00369	12.2
153.01945	0.6
159.36143	0.6
161.04520	4.8
168.00623	3.5
169.01431	28.2
170.01726	0.9
179.03450	1.0
181.05069	0.7
181.08716	3.8
211.02467	3.4
239.05424	0.6
253.03145	0.6
271.04391	3.0
313.05740	2.8
373.14969	6.1
374.15326	0.8
433.13431	100.0
434.13803	13.1
434.19614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
55.92586	1.0
57.28757	1.0
59.01103	1.9
59.01384	28.6
59.32724	1.1
62.73940	1.0
67.01873	1.0
69.39131	8.3
69.95862	1.2
71.01381	17.2
72.99309	2.5
73.02961	4.1
78.95907	1.9
83.01383	4.0
85.02953	8.1
86.03333	1.0
87.00880	3.9
89.02450	9.7
90.46782	1.0
95.01395	4.2
96.96002	1.2
97.02963	1.0
99.00893	2.8
99.04546	3.4
101.02458	9.9
103.67428	1.1
107.01403	7.6
110.02507	1.2
111.00890	3.5
113.02444	7.3
119.03518	3.7
119.05053	1.8
119.07036	1.2
123.00885	16.2
125.02446	27.0
125.06036	1.2
127.07687	1.9
136.98795	1.6
138.09222	1.6
139.00369	5.4
140.01132	3.5
151.00362	13.1
161.04512	1.4
165.09250	1.5
166.05077	3.5
168.00650	3.5
169.01434	35.7
173.07132	1.1
179.03487	1.5
181.05081	1.1
182.04576	3.2
209.11754	1.2
211.02429	2.3
227.12897	1.5
250.09090	1.0
271.04587	3.4
301.12772	1.2
313.05655	4.0
433.12949	100.0
434.13101	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	433.114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12085	0.3
57.03445	0.7
59.01380	8.1
60.64005	0.3
61.98829	1.4
63.02404	3.5
65.00325	11.0
66.40297	0.3
68.99811	0.3
71.01378	1.0
71.23477	0.4
71.23816	0.3
81.03445	0.6
83.01390	7.7
84.62878	0.3
85.02928	0.4
89.02460	0.5
90.34045	0.3
93.03458	4.7
95.01398	0.3
101.02419	0.3
107.01394	18.6
108.01719	0.5
109.02991	0.7
113.02444	0.5
117.03487	1.3
119.05029	35.4
120.05361	1.3
121.02930	0.8
125.02451	4.2
131.05096	0.3
133.02942	0.4
137.02435	0.7
143.04974	1.4
145.02951	3.9
146.03288	0.5
149.02428	0.6
151.00371	63.2
152.00732	2.7
157.06535	0.5
161.02434	0.3
161.04758	0.3
161.06032	1.4
163.04074	0.3
165.01941	5.3
167.03468	0.3
169.01425	3.5
177.01913	5.1
184.05258	0.4
185.06082	2.8
187.04005	3.6
188.04488	0.3
193.01468	0.6
197.05940	0.3
199.07693	0.5
203.07173	0.3
209.06108	0.4
227.07123	3.5
229.04939	0.4
253.05022	0.6
256.03738	0.3
269.04617	0.5
271.06110	100.0
272.06451	9.4
295.06305	0.3
301.03421	0.4
313.05481	3.8
433.11401	10.4
433.20624	0.5
434.11743	1.3
444.83398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80996	0.2
53.74794	0.2
57.03447	0.3
58.61840	0.2
59.01381	3.8
61.98830	100.0
63.02397	0.7
65.00322	2.2
71.01387	1.1
72.99303	0.2
73.02937	0.3
75.00864	0.2
76.44038	0.2
81.03456	0.3
83.01392	1.9
85.02950	0.7
89.02445	0.6
93.03457	1.5
95.01402	0.2
96.96024	0.3
101.02431	0.7
105.03484	0.3
106.64564	0.2
107.01395	4.2
109.02943	0.3
111.00854	0.2
113.02434	0.5
117.03424	0.3
119.05025	10.3
120.05364	0.3
121.02953	0.4
123.00899	0.5
123.08118	0.2
125.02452	2.6
125.06111	0.2
137.02428	0.5
143.04984	0.3
145.02946	1.1
149.02367	0.3
151.00369	15.4
152.00726	0.8
161.02446	1.4
161.04613	0.2
161.06039	0.5
165.01917	1.2
165.09209	1.7
168.00639	0.2
169.01399	2.0
175.00365	1.2
177.01915	2.0
178.02319	0.2
179.03520	0.3
185.06047	0.6
187.04085	0.9
193.01445	0.6
209.08183	6.8
227.07115	0.9
229.05070	0.6
269.04623	0.2
271.06110	26.6
272.06543	2.5
295.06061	1.9
299.50586	0.2
313.07007	0.9
325.07394	0.3
371.13651	0.9
389.15686	0.3
433.11444	2.6
433.24524	0.9
434.11899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
58.00591	0.7
59.01377	14.3
63.02397	3.2
65.00001	1.1
65.00320	11.5
71.01385	6.2
71.05005	0.7
71.55467	0.8
72.99322	0.9
73.02930	2.4
75.00877	1.7
81.03429	1.3
83.01383	9.8
83.05043	0.8
85.02940	3.8
87.00860	1.1
89.02440	3.0
93.03454	5.8
95.01392	1.2
96.95999	1.8
97.02944	1.6
99.00872	0.9
101.02446	2.6
107.01394	19.4
109.03011	1.0
111.08138	0.7
113.02444	2.2
117.03445	1.3
119.03597	1.4
119.05027	44.3
120.05367	1.8
121.02970	2.5
123.08204	0.8
125.02454	9.2
133.02983	0.7
137.02435	2.2
138.06865	0.8
143.05002	2.8
145.02979	4.6
149.02420	1.7
151.00366	66.3
152.00690	3.4
153.09216	1.1
157.06502	1.0
161.04596	0.8
161.06029	0.9
163.03923	1.1
165.01932	8.6
169.01408	4.4
171.08250	0.9
174.02838	0.7
177.01906	7.0
179.03445	0.9
185.06143	3.1
187.04022	3.6
193.01427	5.3
195.05098	1.3
199.07671	1.0
211.13181	0.8
223.13181	0.7
225.11395	1.4
227.07074	4.1
229.05055	0.8
241.14456	1.0
253.05014	1.3
255.12386	2.2
267.06979	0.8
271.06107	100.0
272.06488	8.7
283.06055	1.0
285.13409	4.2
313.07300	21.4
314.07571	1.9
343.08206	6.2
380.20767	0.7
433.11600	17.3
433.16959	3.9
433.24847	1.4
434.11697	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	433.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
57.57357	0.4
59.01106	0.6
59.01382	10.7
61.98827	7.4
63.02401	2.5
65.00323	7.2
69.35110	1.9
69.35515	1.3
71.01376	2.8
72.99322	0.4
73.02943	1.0
74.06384	0.5
75.00872	1.0
81.46606	0.4
83.01383	4.7
85.02942	1.5
87.00781	0.4
88.98805	2.3
89.02457	2.4
93.03453	7.9
95.01373	0.9
96.96024	0.8
97.02963	0.5
101.02425	1.1
102.62833	0.4
107.01393	14.3
113.02444	2.0
119.03597	1.2
119.05025	42.1
120.05376	1.9
121.02963	1.3
124.01683	0.6
125.02438	2.0
136.01674	0.6
145.02951	0.9
149.02449	2.5
149.06085	0.9
151.00365	44.6
152.00740	1.8
161.05966	0.5
164.01193	1.0
165.01945	2.5
165.05573	1.0
169.01357	1.4
175.00337	2.2
177.01913	5.8
178.99799	0.5
181.12370	0.7
185.06116	0.8
187.03992	1.1
193.01466	0.7
227.07138	0.9
231.29599	0.5
239.03545	0.5
262.69617	0.5
269.04062	0.5
271.06110	100.0
272.03232	1.5
272.06369	9.0
295.06119	1.5
298.07590	0.5
300.02731	6.5
301.03525	19.8
302.03918	1.7
313.07141	1.7
331.99991	1.3
347.02286	2.1
398.03827	0.5
401.68234	0.5
433.07391	10.3
434.08246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52699	0.7
57.03432	1.5
59.01380	18.6
59.64186	0.6
63.02391	3.9
64.60182	0.7
65.00328	8.9
69.03449	1.1
71.01383	8.9
71.56274	0.8
72.99326	1.1
73.02938	3.0
75.00881	1.7
81.03455	0.8
83.01395	8.9
83.04983	1.1
85.02951	5.2
87.00860	1.9
89.02434	4.2
93.03468	6.5
95.01428	1.1
96.30180	0.8
96.96004	1.6
97.02947	1.4
97.06588	0.7
101.02439	5.5
107.01398	16.1
113.02451	3.5
117.03484	1.4
118.68113	0.7
119.03559	2.0
119.05029	38.1
120.05333	2.0
121.02975	2.1
125.02457	6.8
129.20961	0.9
134.24576	0.7
137.02425	1.8
143.05005	2.3
145.02965	4.7
149.02481	2.1
151.00375	64.5
152.00716	2.9
153.09196	1.3
161.04601	1.9
161.06046	1.7
165.01955	6.2
165.09190	0.9
167.03517	0.8
169.01381	4.3
170.59038	0.8
170.60605	0.7
177.01898	6.0
178.90059	0.8
179.05579	0.8
181.12376	1.0
183.10240	0.9
185.06100	2.5
187.03987	3.0
193.01353	3.7
195.05052	1.0
197.11836	0.8
205.99051	0.7
211.13640	0.9
225.11264	1.4
227.07150	3.0
241.14468	1.7
255.12354	1.8
271.06107	100.0
272.06418	8.6
285.13452	7.2
313.07306	15.1
314.07373	1.4
315.08835	1.4
327.08847	1.1
343.08316	5.3
392.54999	0.7
433.11356	15.1
433.16995	6.1
433.31879	1.2
434.11697	2.2
434.17294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24254	0.5
51.99389	0.4
57.03439	0.6
59.01378	100.0
60.01705	1.0
63.02399	0.8
65.00330	1.3
66.41924	0.4
69.31953	1.7
69.32372	2.0
71.01381	4.3
73.02956	1.1
79.95749	0.4
83.01390	1.6
85.02945	2.2
87.00854	0.6
89.02439	2.8
93.03474	0.6
95.01392	0.6
96.96011	19.2
97.02959	0.6
98.19843	0.9
99.00873	0.7
101.02435	2.8
107.01389	3.1
108.02190	1.1
109.02951	2.2
113.02457	2.2
113.03693	0.6
119.03503	1.3
121.02935	2.8
123.00966	0.6
124.01682	0.6
125.02441	4.2
135.00859	0.8
137.02454	0.7
148.01697	1.4
149.02429	0.7
151.00354	10.7
156.96552	0.5
161.04498	0.9
163.00386	2.9
164.00970	0.7
165.01888	0.5
167.03435	1.5
169.01378	1.6
178.99892	5.8
181.12346	0.5
183.02979	0.7
183.04474	0.7
185.06085	1.0
199.04152	1.0
211.03983	1.5
215.03557	0.8
226.02762	0.9
227.03560	3.6
227.06950	2.5
229.04916	0.7
243.02960	7.2
243.12256	0.6
244.03572	0.5
245.04445	1.7
253.04953	0.8
254.02155	1.5
255.02965	16.6
256.03250	1.4
271.02478	33.8
271.05835	2.8
272.02917	3.6
272.05814	0.7
273.03891	1.0
283.02371	1.7
285.13324	0.6
299.02026	0.9
300.02734	57.6
301.03473	60.7
302.03900	4.9
319.19232	0.5
331.17560	1.6
401.12418	0.9
433.07590	26.3
434.07816	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	433.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.7
57.03543	0.9
59.00967	2.3
59.01184	23.0
59.01779	1.9
60.01572	0.6
60.01820	0.8
65.00446	0.8
66.23632	0.6
71.01113	1.6
71.01544	4.7
71.56217	0.8
73.01635	0.6
73.02663	1.0
73.03106	2.3
74.64480	0.6
83.01531	1.6
85.03100	1.7
87.01021	1.0
89.02030	1.0
89.02634	4.2
93.03644	3.8
95.01556	0.7
96.95499	5.4
96.96198	28.2
97.03104	1.1
99.01038	1.0
101.02636	4.6
101.29660	0.6
107.01577	1.9
107.05230	4.2
108.02373	1.7
109.03104	1.1
113.02644	3.4
119.02845	1.2
119.03725	2.6
119.05219	3.1
121.03157	1.9
123.04675	0.8
125.02652	3.1
135.01007	1.0
137.02647	5.8
143.05226	2.6
148.01823	1.2
149.02611	1.0
151.00375	8.2
159.08366	1.2
161.04694	1.6
162.99358	0.8
163.00574	2.2
163.04079	0.6
164.01277	1.4
165.02122	2.9
167.03616	0.9
169.01591	1.4
173.06264	1.0
178.99847	3.4
179.05724	0.9
181.06648	1.1
181.12328	3.0
183.03119	1.1
183.04610	1.4
183.08322	2.2
184.05336	0.7
185.06079	8.0
193.01550	2.3
209.06239	1.9
211.04051	1.8
212.04900	2.1
225.05620	3.3
225.11436	0.8
226.02773	1.5
227.03804	4.1
227.07127	34.9
228.07596	2.2
243.02971	10.8
243.12479	0.7
245.04497	1.1
253.05061	15.1
254.02313	2.4
254.05498	0.9
255.00249	1.1
255.02965	24.1
256.03384	2.9
271.02521	54.4
271.06119	36.0
272.02942	5.8
272.06421	2.4
273.04056	1.0
281.06659	4.6
283.02518	0.9
285.13431	3.7
299.01962	0.7
300.02744	100.0
301.03397	30.7
302.03925	2.7
305.19354	0.7
313.07196	6.2
313.98849	2.3
314.99683	1.7
329.01358	0.7
331.17502	0.9
343.08215	1.6
347.02179	3.1
389.12140	2.9
433.07300	48.0
433.20706	4.3
434.07556	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	432.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22135	0.8
50.38643	0.7
55.01876	1.0
57.03453	1.1
58.44888	0.7
59.01381	27.3
60.01711	2.2
61.01809	0.9
61.98828	100.0
69.60479	4.1
69.60901	1.3
71.01382	14.2
72.99322	1.6
73.02953	2.8
83.01389	1.7
85.02939	5.9
87.04547	1.2
88.72111	0.8
89.02448	10.3
95.01378	1.6
95.48050	0.8
96.96015	3.7
98.19892	1.7
99.00872	1.8
101.02435	5.7
112.79835	0.7
113.02451	6.3
119.03516	4.3
123.00931	1.2
125.02470	2.0
131.47568	0.8
151.00412	0.9
161.04555	3.2
163.03987	1.1
169.01434	1.1
171.02979	0.9
179.05615	1.3
181.12448	1.4
271.19058	0.9
274.91129	0.9
300.02783	0.8
307.13010	0.9
414.94205	0.9
432.15533	4.8
432.66333	1.2
433.16272	1.2
433.24744	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	432.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22135	0.8
50.38643	0.7
55.01876	1.0
57.03453	1.1
58.44888	0.7
59.01381	27.3
60.01711	2.2
61.01809	0.9
61.98828	100.0
69.60479	4.1
69.60901	1.3
71.01382	14.2
72.99322	1.6
73.02953	2.8
83.01389	1.7
85.02939	5.9
87.04547	1.2
88.72111	0.8
89.02448	10.3
95.01378	1.6
95.48050	0.8
96.96015	3.7
98.19892	1.7
99.00872	1.8
101.02435	5.7
112.79835	0.7
113.02451	6.3
119.03516	4.3
123.00931	1.2
125.02470	2.0
131.47568	0.8
151.00412	0.9
161.04555	3.2
163.03987	1.1
169.01434	1.1
171.02979	0.9
179.05615	1.3
181.12448	1.4
271.19058	0.9
274.91129	0.9
300.02783	0.8
307.13010	0.9
414.94205	0.9
432.15533	4.8
432.66333	1.2
433.16272	1.2
433.24744	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.2
57.24900	1.3
58.00605	2.1
59.01379	92.5
69.03448	3.4
69.19392	14.2
71.01385	34.4
71.92018	1.3
72.99297	4.4
73.02944	6.8
79.95718	1.6
81.03460	1.3
83.01411	3.5
85.02947	13.8
87.00892	4.7
89.02451	13.2
95.01396	3.6
96.96029	3.1
97.02964	2.2
98.19841	2.7
99.00904	2.7
101.02454	11.8
112.01653	1.9
113.02463	11.6
119.03467	6.6
124.01655	2.9
125.02452	13.4
137.02501	1.3
143.03554	3.3
151.04005	3.0
161.04556	2.2
169.01367	2.0
177.01855	1.5
179.05632	2.4
211.04076	2.0
227.03365	1.7
239.03487	3.9
269.08301	3.9
269.17456	1.7
269.21255	3.4
284.03308	2.0
285.04102	4.1
287.22290	25.0
288.22641	2.0
329.23468	2.4
343.24762	1.7
371.24588	2.8
431.26566	100.0
432.26987	14.7
438.47116	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81234	0.1
59.01382	1.9
61.98845	0.2
64.35957	0.1
71.01377	0.8
71.54310	0.1
73.02944	0.4
75.00839	0.2
85.02959	0.5
89.02452	0.6
95.01402	0.1
96.96016	0.2
99.00882	0.4
101.02422	0.3
107.70306	0.1
108.02177	8.5
109.02483	0.2
111.00795	0.1
113.02470	0.4
121.02976	0.2
122.02401	0.2
123.00917	0.3
125.02439	0.7
125.90178	0.2
131.03529	0.1
138.01974	100.0
139.02316	3.5
149.04593	0.2
151.02730	0.4
153.09207	0.2
165.04066	0.2
167.36954	0.1
169.01398	0.4
170.01787	0.4
180.03001	1.5
211.02509	0.3
211.13503	0.3
212.02742	0.3
271.04507	0.2
272.05130	0.2
285.13437	0.3
289.15054	0.2
343.13132	0.2
343.55023	0.1
345.82770	0.2
380.34833	0.2
432.11459	3.7
433.12479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01924	0.5
57.03454	0.7
59.01380	100.0
60.01706	1.5
68.95979	0.5
69.51513	3.9
71.01383	7.8
72.99326	1.9
73.02965	1.9
75.00885	0.9
79.03037	0.5
81.03514	0.5
82.17852	0.5
83.01418	0.7
85.02950	2.9
87.00882	1.3
89.02453	8.9
93.03440	0.7
96.96028	0.9
98.19953	0.9
99.00896	0.9
101.02467	3.8
102.05634	1.7
109.02975	0.6
113.02469	3.2
119.03532	2.5
120.20624	0.5
125.02493	2.5
128.03564	1.8
137.02467	0.7
143.03436	0.9
146.04610	2.1
147.04893	0.8
151.00337	0.9
151.04095	0.7
155.10782	0.7
161.04514	0.8
163.00391	0.6
167.03461	0.8
169.01471	1.2
172.07222	0.5
179.05688	1.7
187.03983	0.6
209.11876	0.6
211.04198	0.6
227.03508	12.8
227.05661	0.8
228.03879	1.3
229.05153	2.0
255.02991	17.7
256.03558	2.5
257.04651	1.5
269.13837	0.9
284.03253	15.0
285.03998	21.3
286.04630	1.3
305.45660	0.5
314.99536	0.5
323.26950	0.6
431.09857	16.5
431.15268	1.2
431.22665	2.2
432.10266	1.6
436.72592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03206	0.8
57.03465	1.6
59.01379	100.0
60.01699	1.4
61.98817	0.9
63.49110	0.6
71.01386	13.5
72.99303	1.2
73.02934	4.3
78.82391	0.9
83.01391	2.6
85.02948	7.6
89.02440	4.0
95.01376	2.0
96.96012	1.3
99.00851	1.6
101.02439	9.9
109.02961	1.1
112.89751	0.7
113.02461	7.0
119.03483	3.2
125.02433	2.2
137.02441	1.7
151.03972	1.1
155.14879	0.7
161.04527	6.9
167.03471	1.8
169.01433	1.0
209.15524	1.0
236.57738	0.7
319.85355	0.8
371.20703	13.7
372.21121	1.8
431.23312	3.9
443.04041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.8
57.03448	1.4
59.01378	100.0
60.01713	2.4
61.01799	1.9
61.98828	14.8
65.06108	0.6
69.03463	1.1
69.52785	2.6
69.53192	1.9
71.01383	16.1
72.99306	3.1
73.02942	6.2
75.00879	1.7
78.28285	0.6
78.95901	0.8
81.03473	0.7
83.01405	2.9
85.02943	6.5
87.00887	1.6
87.04530	1.5
88.98813	1.6
89.02439	7.3
95.01377	1.6
96.96058	1.4
97.02941	0.7
99.00900	1.6
99.04573	0.7
101.02435	11.5
111.00877	0.7
113.02443	8.7
119.03500	2.0
121.02978	2.1
125.02455	3.0
143.03481	1.4
145.05020	0.8
151.04047	0.6
153.12785	0.9
158.61996	0.6
159.03046	0.9
161.04543	5.4
167.03601	0.7
179.05527	0.9
179.10779	0.9
181.12352	0.8
182.82117	0.7
185.99532	0.7
189.04073	1.1
207.06793	0.8
209.11923	1.7
223.13371	1.0
225.15074	0.9
227.16580	2.7
269.01871	0.6
269.04602	2.8
269.14032	3.4
269.17590	2.0
342.61105	0.8
371.20752	3.5
389.21808	7.3
431.10135	1.5
431.23636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.6
59.26702	0.5
61.98793	0.5
69.27850	4.3
72.99282	0.4
75.00867	4.6
75.73695	0.6
78.95901	70.4
88.98831	0.5
96.96966	5.0
98.20708	1.0
150.97945	2.2
152.99582	100.0
153.99940	1.9
167.21793	0.5
171.00598	2.9
246.67252	0.4
277.21707	1.1
359.18472	0.5
431.22043	7.7
431.33755	6.4
432.22202	1.1
432.34021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.8
57.03448	1.4
59.01378	100.0
60.01713	2.4
61.01799	1.9
61.98828	14.8
65.06108	0.6
69.03463	1.1
69.52785	2.6
69.53192	1.9
71.01383	16.1
72.99306	3.1
73.02942	6.2
75.00879	1.7
78.28285	0.6
78.95901	0.8
81.03473	0.7
83.01405	2.9
85.02943	6.5
87.00887	1.6
87.04530	1.5
88.98813	1.6
89.02439	7.3
95.01377	1.6
96.96058	1.4
97.02941	0.7
99.00900	1.6
99.04573	0.7
101.02435	11.5
111.00877	0.7
113.02443	8.7
119.03500	2.0
121.02978	2.1
125.02455	3.0
143.03481	1.4
145.05020	0.8
151.04047	0.6
153.12785	0.9
158.61996	0.6
159.03046	0.9
161.04543	5.4
167.03601	0.7
179.05527	0.9
179.10779	0.9
181.12352	0.8
182.82117	0.7
185.99532	0.7
189.04073	1.1
207.06793	0.8
209.11923	1.7
223.13371	1.0
225.15074	0.9
227.16580	2.7
269.01871	0.6
269.04602	2.8
269.14032	3.4
269.17590	2.0
342.61105	0.8
371.20752	3.5
389.21808	7.3
431.10135	1.5
431.23636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54520	1.3
59.01380	100.0
60.01696	1.5
61.98830	2.4
69.03461	1.7
71.01367	2.6
71.54549	1.4
73.02910	1.4
83.04997	1.5
88.98782	1.8
101.02414	1.3
125.02384	3.0
125.09719	11.2
147.59592	1.1
148.77644	1.2
149.40302	1.3
165.12851	5.4
183.13870	5.1
187.09767	9.3
227.03432	2.1
227.05589	1.4
227.12979	8.3
251.12663	1.3
255.02928	2.5
261.13358	1.9
284.03290	1.5
285.04025	3.1
293.13907	4.4
431.09921	2.5
431.22665	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	431.22
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.85415	0.2
59.01378	0.9
62.96393	0.5
70.98083	0.7
78.95903	72.4
96.96966	6.7
96.97585	0.4
97.63772	0.2
115.76360	0.3
134.35385	0.3
150.97986	2.0
152.99585	100.0
153.99979	1.8
171.00626	3.2
277.21686	1.2
431.21982	8.1
432.22418	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32724	0.6
57.03436	1.2
59.01379	17.2
59.05230	0.6
61.98849	0.6
63.94599	0.5
67.01882	1.0
68.99778	0.8
69.03428	1.0
69.46996	4.7
71.01378	7.9
72.99306	1.0
73.02939	2.6
73.75340	0.6
75.00868	0.9
78.95897	1.9
79.01903	0.7
79.05508	0.5
80.17329	0.6
82.89015	0.5
83.01378	1.8
85.02949	5.1
87.00864	1.7
88.98809	0.5
89.02463	3.6
91.26054	0.6
94.11137	0.5
95.01399	2.1
95.07124	0.5
96.96014	1.9
97.02969	1.1
98.08346	0.6
98.19877	0.8
98.94951	0.6
99.00859	1.5
99.04544	0.9
101.02453	4.9
107.01392	3.1
107.37002	0.7
111.00874	2.0
113.02454	3.9
119.03455	1.2
123.00886	13.1
124.01121	0.6
125.02451	15.2
125.76492	0.6
127.00344	0.8
134.04735	1.1
136.98796	1.9
137.02420	1.4
139.00372	6.0
140.01166	4.5
141.01927	1.3
151.00375	10.5
152.01129	0.6
161.04543	1.3
167.03456	1.4
168.00601	3.7
169.01430	20.7
170.01776	0.9
182.04051	0.6
211.02437	1.8
267.07217	0.6
269.04437	1.8
271.04474	1.3
283.11780	2.3
313.05576	2.3
431.15530	100.0
432.15881	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
56.12225	0.8
57.03461	1.5
59.01376	20.1
63.33334	1.0
67.01899	1.9
69.03436	1.3
69.25857	8.6
70.31160	0.9
71.01380	10.3
72.99319	1.7
73.02953	3.6
75.00861	1.2
75.32240	1.0
76.89873	0.8
79.01876	1.3
83.01380	2.9
85.02946	5.0
87.00853	2.2
89.02449	3.3
94.87659	0.9
95.01384	2.8
96.96020	2.9
97.02972	1.1
99.00886	1.3
100.75914	0.8
101.02446	8.7
106.79985	0.9
107.01398	8.5
110.61937	1.0
111.00890	6.3
113.02453	4.9
121.31717	0.9
123.00883	22.1
124.01696	3.0
125.02446	35.5
127.00367	1.3
136.98792	2.6
137.02455	1.1
139.00395	8.7
139.04016	1.4
140.01183	6.9
141.01881	2.2
149.02467	7.7
151.00360	15.5
153.01833	1.2
154.99857	1.0
161.04517	1.6
163.04082	0.9
163.41840	1.0
165.01913	0.9
167.03430	2.4
168.00612	12.4
169.01428	47.8
170.01726	2.5
183.03000	2.7
209.04544	25.5
210.04971	1.8
211.02475	35.6
212.02820	1.9
220.80453	1.0
225.04013	2.7
241.03363	1.1
271.04565	53.7
272.04886	3.1
282.25433	1.0
285.06122	3.8
313.05475	1.6
331.06668	3.7
333.14481	1.1
355.13275	1.2
377.00815	1.0
399.12350	1.1
426.83051	0.9
431.15933	100.0
432.16275	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	431.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.6
55.96005	1.7
57.03436	5.9
59.01379	74.1
60.01705	2.4
61.98853	1.8
68.99824	2.2
69.19230	1.9
71.01384	47.6
71.52615	2.2
72.99299	5.0
73.02959	10.1
75.00865	11.9
78.95900	6.3
81.48745	1.7
83.01381	4.7
85.02959	24.4
85.92273	1.8
87.00890	8.6
89.02449	20.0
95.01380	4.4
96.95988	4.9
97.02941	2.6
99.00869	7.5
101.02448	15.5
103.00362	2.5
105.94467	2.1
107.01405	3.3
108.21032	1.9
108.46557	2.0
109.02932	2.6
111.00877	1.9
113.02450	19.5
115.00369	6.7
119.03485	4.3
119.08689	3.8
121.02934	4.4
121.10197	2.2
123.00901	8.9
125.02419	17.7
131.03479	5.9
134.04655	2.8
135.04489	4.3
137.02454	3.0
137.06104	2.4
137.09712	14.4
139.00359	6.4
140.01154	3.2
143.03502	2.0
149.34898	1.8
151.00307	4.9
151.03932	2.4
161.04507	8.1
163.07492	1.7
165.04051	3.0
165.09215	65.8
166.09525	3.6
168.00613	3.9
169.01433	14.6
177.12762	1.6
179.10712	2.3
181.08730	10.1
197.04649	1.7
205.12407	3.6
211.02417	2.2
215.15015	1.6
223.09737	3.3
225.26849	2.0
238.73958	1.5
249.06122	20.9
267.07123	7.9
268.04333	2.0
269.10226	3.0
271.04425	3.0
296.89600	2.0
315.14471	33.9
316.14630	2.8
431.15463	100.0
432.15814	12.1
432.21820	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	431.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22849	1.1
51.60759	1.1
57.03452	16.8
59.01376	9.6
59.34939	1.1
61.98803	1.7
66.30644	1.1
68.99812	2.7
69.77567	4.5
71.01374	2.8
71.05045	1.3
81.03459	13.5
83.01381	10.9
89.02458	1.5
95.05005	5.7
97.02934	6.0
97.06573	1.6
98.20560	1.7
99.04520	8.7
105.28131	1.2
108.52170	1.2
115.04024	3.8
121.02938	3.5
123.04503	3.0
125.02451	100.0
126.02777	3.1
132.50862	1.6
135.00879	5.6
137.02451	11.2
139.04039	8.8
146.03709	3.5
147.04544	3.3
147.08176	2.0
149.02461	1.5
149.06021	1.5
151.03993	2.9
159.08159	1.9
160.01613	2.1
161.02382	3.5
161.06027	2.3
161.09677	2.7
162.03134	2.2
163.03932	1.4
163.07686	1.4
165.01930	8.9
167.03491	73.0
168.03839	4.2
174.03189	5.7
175.03970	4.0
175.07655	7.3
176.08347	3.2
177.01927	2.6
177.09077	2.1
178.99866	2.0
187.04005	1.7
187.07722	2.3
188.04742	2.2
190.06401	1.9
201.01888	2.4
201.18185	1.3
203.07147	9.8
204.07921	11.2
205.01440	3.1
205.08705	22.2
206.08998	1.6
212.84111	1.4
216.04266	3.1
219.02974	1.3
219.06567	3.8
220.07489	2.3
227.03448	2.1
227.07060	1.5
229.04868	2.0
231.06654	8.1
232.07285	3.5
233.08234	1.9
235.09639	2.6
244.03749	7.5
247.09622	2.9
255.06789	1.5
263.09241	68.0
264.09506	5.4
265.10733	5.3
284.03131	2.3
285.04150	2.1
286.04169	1.4
287.09259	10.1
325.11496	1.3
327.12265	1.8
333.06201	1.4
369.09872	2.3
381.09738	3.3
389.01663	1.6
395.11359	2.4
413.12384	2.6
442.64590	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	431.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63687	0.8
59.01379	30.6
71.01382	14.9
71.54803	1.0
72.99309	1.9
79.01902	1.0
83.01351	1.7
85.02934	3.7
87.00863	1.2
89.02448	17.0
95.01366	2.2
96.95987	3.7
97.02951	0.9
101.02444	9.7
107.01407	4.8
111.00857	1.5
113.02441	6.9
117.05551	3.0
119.03505	7.2
123.00887	10.0
124.01720	1.3
125.02455	20.9
136.98779	1.4
138.01894	0.9
139.00410	4.2
140.01155	1.9
151.00317	6.3
165.01901	1.0
167.03500	1.4
168.00664	7.0
169.01419	27.3
170.01727	1.1
179.05656	0.9
194.05991	1.0
203.12743	0.9
209.08221	1.0
211.02469	30.8
212.02644	1.4
213.95929	1.0
233.88159	1.1
241.03618	1.1
271.04578	46.2
272.04874	3.0
277.91058	0.9
279.10809	7.8
331.06647	2.6
405.77716	0.9
413.10800	2.6
431.11850	100.0
432.12054	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	431.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.8
59.01377	9.1
61.98828	1.0
65.00307	1.1
65.38932	0.7
68.99808	4.1
69.03429	1.0
71.01369	1.6
71.05005	2.2
71.69156	0.9
73.02934	0.7
75.26223	0.7
81.03460	10.9
83.01395	8.1
85.02922	1.2
93.03456	1.2
95.05015	4.4
96.96008	1.6
97.02947	7.6
97.06590	1.9
99.00872	1.5
99.04504	7.0
101.02456	0.8
109.02940	2.7
113.02441	1.0
115.04005	1.5
117.03448	1.0
119.05043	1.0
121.02901	1.9
123.04520	4.5
124.01617	1.2
125.02443	100.0
126.02783	3.9
129.15234	0.7
133.02940	2.1
134.03711	1.1
135.00864	4.9
136.01576	0.9
137.02458	12.5
139.04022	7.5
143.04979	0.8
145.02989	0.8
146.03709	2.9
146.19962	0.7
147.04501	3.6
147.08168	2.2
149.02351	1.3
149.06041	1.3
151.03992	1.8
157.02908	2.0
157.06508	1.0
158.03679	0.9
159.04475	1.7
159.08162	1.6
160.01663	1.9
161.02411	3.7
161.06105	1.1
161.09692	1.5
162.03258	2.0
163.00404	0.9
163.03954	2.4
165.01907	9.6
166.02684	1.4
167.03484	70.6
168.03835	3.4
169.01462	0.8
173.02446	1.1
173.06119	1.3
174.03168	4.4
175.03957	4.0
175.07619	5.7
176.08368	5.0
177.01904	3.0
177.09190	1.3
178.99747	1.1
185.02492	1.2
185.06036	1.0
187.03964	1.3
187.07637	1.7
188.04698	1.1
189.01952	1.3
189.05455	1.0
194.02179	1.0
201.01958	1.3
203.07141	8.6
204.07895	7.6
205.01382	3.3
205.05112	1.2
205.08667	21.2
214.02608	0.8
215.07115	1.0
216.04160	2.6
219.02914	1.5
219.06575	3.3
220.07393	3.1
221.04503	1.0
221.08015	1.2
227.03586	2.1
227.07039	1.4
228.07957	1.9
229.04956	1.9
231.06599	9.9
232.07283	2.1
233.08144	2.7
235.09688	3.2
244.03722	6.8
247.06155	1.5
247.09726	3.4
255.02977	2.2
255.06502	0.9
257.04608	0.9
263.09213	65.1
264.09531	4.8
265.10812	5.4
279.08752	1.2
283.09863	1.2
285.03915	1.9
287.09207	10.0
295.09619	1.0
301.03604	1.0
309.11267	1.8
311.09387	1.2
315.05139	1.0
325.10834	0.9
327.12521	0.9
333.06073	1.4
363.08835	2.1
369.09833	2.0
381.09811	2.5
395.11386	1.9
413.12180	2.4
431.13287	2.4
445.36026	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01377	13.5
67.01888	1.2
69.03447	0.8
69.89193	0.5
70.97321	1.2
71.01377	9.5
72.99314	1.4
73.02953	1.3
79.01909	1.1
79.95717	0.8
83.01392	2.0
85.02937	3.8
87.00894	1.2
89.02444	5.1
95.01376	2.7
95.71740	0.6
96.96009	56.0
97.02914	1.0
98.20510	0.6
99.04517	2.2
101.02450	5.5
107.01394	5.7
109.02980	0.8
111.00865	4.1
113.02456	4.5
119.03497	1.9
123.00887	15.5
124.01688	2.9
125.02445	26.8
126.02773	0.9
127.00377	1.4
131.55850	0.6
133.02972	0.9
136.98828	1.7
137.02428	1.2
139.00383	6.6
140.01178	4.0
141.01936	2.2
149.99583	1.2
151.00356	10.2
152.00697	0.9
153.01962	1.4
154.63910	0.6
161.04588	0.6
165.01854	0.9
165.04074	1.0
167.03488	1.7
168.00648	11.9
169.01424	34.5
170.01727	1.8
176.36612	0.6
181.05038	0.6
183.02997	0.7
195.02982	1.4
211.02472	26.3
212.02821	1.5
241.03452	0.9
251.09624	1.3
253.03352	0.7
255.05278	1.1
269.04474	3.7
271.04568	28.4
272.04950	1.6
279.10876	3.3
285.06152	1.0
313.05753	1.3
331.06628	2.3
431.16211	100.0
432.10941	1.1
432.16495	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	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01724	1.0
61.98826	1.2
69.22024	9.2
76.42545	1.0
91.03999	2.2
96.34882	1.0
124.04716	0.9
124.93420	0.9
195.13773	1.0
277.21677	1.1
295.22778	12.0
364.58478	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	100.0
61.98822	46.9
71.52366	29.0
271.38528	15.4
316.01407	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65292	1.0
59.01363	2.8
63.02409	0.8
69.20005	9.0
93.03455	1.3
111.86800	0.8
132.02191	1.0
135.00867	1.8
136.86972	0.9
151.00487	1.2
157.06633	1.2
159.04514	1.4
163.00418	1.7
170.08153	0.9
185.06136	2.2
187.03981	3.2
188.04352	1.0
211.04016	2.9
213.05550	1.6
227.03496	41.4
228.03870	4.1
229.05058	9.4
230.05217	1.0
239.03568	1.4
241.05020	1.3
255.02975	59.1
256.03506	7.6
257.04517	5.5
284.03247	53.1
285.04022	100.0
286.04379	8.6
356.11362	1.0
405.05408	1.1
431.09824	50.6
432.10110	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	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98841	1.2
70.54089	1.2
71.01382	1.8
71.21298	1.2
87.22905	1.1
89.02439	1.6
91.03992	1.5
98.20730	2.4
102.89116	1.0
124.00662	1.1
139.97693	1.1
142.42929	1.1
168.16048	1.0
208.11057	1.2
229.06032	1.3
249.66753	1.3
277.21741	1.3
295.22751	11.9
357.19519	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01718	1.4
71.01381	6.9
71.52321	0.9
73.02957	2.1
75.00874	1.7
85.02966	2.3
87.00867	1.4
88.23566	0.6
89.02443	9.0
94.43622	0.6
96.96012	1.4
97.06602	0.6
101.02432	4.5
107.01402	1.0
109.02964	0.8
113.02496	3.1
119.03487	3.1
125.02455	3.1
137.02464	1.6
145.02980	1.3
161.04568	1.5
169.01419	2.3
171.19160	0.7
179.05698	1.1
187.11346	1.7
219.13882	0.8
223.78656	0.7
225.14992	5.0
267.12082	0.7
269.14053	1.8
281.13989	2.2
329.16162	2.1
349.25037	0.7
367.36478	0.8
411.24005	0.9
429.11868	0.9
429.25369	1.3
438.37491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83556	0.3
54.35125	0.4
57.03453	0.5
58.00592	0.4
59.01379	100.0
60.01719	0.8
60.49372	0.3
65.00301	0.4
65.03970	1.2
67.01890	1.0
69.03464	0.6
71.01385	8.7
71.53781	0.3
71.54213	0.5
72.99326	1.1
73.02954	1.1
75.00855	0.5
83.01418	0.9
85.02938	2.7
87.00896	1.4
89.02443	10.7
91.01897	7.0
93.03438	0.4
95.01411	1.0
96.95984	0.6
99.00867	0.9
101.02435	3.8
101.22713	0.4
107.05059	0.4
108.02183	0.7
109.02954	26.3
110.03313	1.2
113.02458	4.7
119.03515	3.5
121.02903	0.8
123.04530	1.0
125.02474	2.6
125.22723	0.3
131.03491	0.3
135.00883	13.5
136.01256	0.4
137.02457	3.1
139.54741	0.3
143.03514	1.0
147.04555	0.8
148.01762	0.8
149.04550	0.4
149.06062	0.3
151.04016	1.0
153.01932	11.8
154.02229	0.5
161.04553	0.9
161.06038	0.4
161.09744	0.4
163.04005	1.0
165.05605	0.5
167.03534	1.1
169.01418	1.1
175.04005	0.9
177.01987	0.5
179.05557	2.3
187.03954	0.6
187.11330	0.4
205.05064	1.3
223.13403	1.6
267.12360	2.2
281.04486	0.6
377.04202	0.4
429.10370	24.5
429.21442	2.6
430.10614	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92612	0.4
57.03465	0.3
58.00591	0.6
59.01379	100.0
60.01716	1.1
63.40403	0.3
68.07186	0.3
69.33035	2.9
71.01379	11.1
72.99314	0.7
73.02958	1.1
83.01407	0.4
85.02943	2.5
87.00895	1.1
89.02445	15.8
95.01400	0.7
99.00859	0.4
101.02437	6.6
113.02448	5.7
119.03512	6.9
125.02466	0.8
131.03548	0.7
137.09718	2.1
143.03531	1.4
149.04601	0.7
157.43687	0.3
161.04544	2.3
173.65410	0.3
178.95026	0.3
179.05597	3.4
223.13431	0.9
267.12497	0.9
277.06744	0.4
309.05225	0.3
316.38910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69254	0.6
55.01846	0.6
57.03441	1.8
59.01379	100.0
60.01715	1.3
69.03463	0.8
69.27431	1.3
69.27832	4.9
70.54567	0.6
71.01383	13.1
72.99333	0.8
73.02950	2.9
73.25563	0.6
75.72989	0.5
76.07516	0.7
80.71683	0.7
83.01389	1.5
85.02501	0.6
85.02966	2.9
87.00897	1.3
87.89885	0.6
88.71732	0.6
89.02441	14.7
95.01423	1.4
96.96021	1.4
99.04547	1.0
101.02441	7.4
113.02471	4.2
117.15829	0.7
119.03491	5.6
125.02466	1.6
131.03596	0.8
143.03508	1.2
149.04584	1.0
161.04620	1.3
161.09807	0.7
169.01454	0.7
179.05640	2.8
187.11304	0.9
189.09325	0.9
207.10300	1.0
223.13373	6.4
267.12384	7.6
429.12775	0.8
429.21329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	0.9
59.01377	100.0
60.01717	1.3
64.86636	0.5
69.03464	2.3
71.01381	20.0
71.01776	1.1
72.99317	1.5
73.02960	1.2
73.32078	0.5
78.95973	0.6
85.02943	2.8
87.00894	1.6
89.02441	26.6
95.01411	1.2
96.96007	0.8
101.02438	8.7
107.01353	0.6
113.02444	6.6
119.03503	9.4
125.02481	1.8
131.03505	1.3
143.03523	2.4
147.82562	0.5
149.04547	1.1
161.04599	2.3
161.09755	0.6
169.01556	0.8
179.05600	5.2
185.00922	1.9
187.11293	1.2
207.06618	7.3
223.13406	4.7
249.11400	0.7
267.12399	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	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03436	0.8
59.01379	100.0
60.01712	1.2
65.03962	0.8
69.27139	5.3
71.01382	7.5
72.99324	0.9
73.02951	1.0
83.01377	1.3
85.02972	2.4
87.00881	1.6
89.02445	10.9
91.01907	5.0
91.83778	0.5
93.56167	0.5
95.01388	1.0
96.96008	0.6
99.00889	1.4
101.02447	4.5
107.05006	0.6
109.02954	16.9
113.02479	4.4
119.03484	3.9
121.03075	0.6
125.02460	2.0
131.03481	0.7
133.02930	0.7
135.00885	8.9
137.02451	2.4
143.03470	0.9
149.02469	0.7
153.01949	7.1
161.04605	1.2
163.03986	0.9
169.01416	0.8
177.01892	0.8
177.05479	0.7
179.05595	1.7
195.61642	0.5
223.13478	1.3
267.12469	2.9
316.32846	0.6
429.10364	17.6
429.16544	0.8
430.10751	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	429.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
71.21012	0.3
96.66172	0.2
99.00848	0.3
99.92580	5.9
100.92712	0.2
100.93363	6.3
101.26640	0.2
101.93401	0.5
103.23923	0.2
115.92076	100.0
116.92082	5.7
116.92866	5.9
117.92529	0.3
132.92355	1.2
172.95461	4.4
173.95538	0.5
189.90675	0.2
205.73328	0.2
234.60695	0.2
255.23328	0.9
330.56259	0.2
355.15839	0.7
356.16418	0.2
371.15356	0.3
381.17279	0.8
382.17654	0.2
429.19537	3.4
430.19778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01381	100.0
60.01693	1.0
61.98838	1.6
67.12804	0.9
69.03461	3.7
69.32460	6.3
71.01383	13.7
72.99309	2.6
73.02946	6.5
75.00875	3.3
83.01366	3.2
85.02949	7.1
87.00880	2.0
89.02454	9.8
95.01421	1.9
96.96001	3.3
97.02970	1.6
99.00864	2.4
101.02439	7.0
107.05026	1.1
113.02473	8.2
119.03518	2.1
125.02448	3.5
135.04616	1.3
137.09694	1.7
149.04681	0.9
152.01132	2.0
161.04539	2.3
161.09679	2.1
169.01384	2.8
174.92818	0.9
179.05598	1.5
179.10739	5.4
185.00896	2.3
187.11227	1.5
223.13380	4.8
225.14995	2.6
240.48625	1.2
249.06093	4.4
249.11325	1.2
267.06940	1.4
267.12372	8.1
349.25629	1.1
369.19156	2.0
387.20291	3.4
429.18234	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	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
57.03446	3.9
58.00586	1.4
59.01378	100.0
60.01697	1.3
69.03459	26.2
71.01379	16.1
72.99311	1.7
73.02937	4.3
79.01885	1.5
83.01384	2.6
83.05003	1.5
83.82542	1.2
85.02960	4.0
87.00852	6.8
89.02448	14.0
89.24559	1.0
92.66685	1.1
95.01414	2.9
96.95991	2.3
97.02956	5.3
97.06590	2.0
99.00879	5.9
101.02454	7.5
107.05042	7.6
108.02171	1.6
109.62803	1.1
113.02446	7.2
119.03489	3.3
120.05790	3.1
123.00815	1.5
123.42149	1.2
125.02473	3.1
129.47736	1.0
132.38124	1.1
135.04527	15.0
138.72617	1.2
141.01900	1.4
152.01109	1.8
159.11819	1.7
161.04605	1.3
161.09697	13.1
161.13364	6.5
163.11288	3.1
169.01454	1.6
179.05647	1.8
185.00909	21.3
185.13260	1.1
187.11275	19.9
188.11458	1.4
189.09169	6.5
203.10774	2.2
205.12349	5.7
206.12727	1.4
207.06635	19.3
207.10242	3.6
208.06862	1.4
223.13388	76.9
224.13733	5.1
229.12343	2.2
243.12306	3.7
249.11272	7.0
267.12369	67.3
268.12677	7.3
419.33759	1.3
429.17960	2.7
430.17688	1.5
448.05273	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91232	2.8
51.97406	2.2
59.01377	100.0
61.98809	2.4
71.52125	2.1
71.52473	2.7
77.98521	2.4
126.09389	2.4
190.22011	2.2
228.94176	2.2
283.46823	2.9
293.21017	5.6
296.35483	2.3
340.07281	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	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85280	2.2
59.01377	100.0
61.86172	2.4
64.55393	1.9
66.32128	2.2
67.85579	2.2
70.92312	2.8
70.92664	4.7
71.37114	2.3
83.35515	2.2
86.72971	1.9
94.64162	2.8
95.13256	2.3
96.46909	2.1
104.50359	2.4
107.84733	2.2
112.60648	2.1
128.35583	2.0
129.79774	2.0
134.64807	2.3
193.18033	2.3
293.21310	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	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01710	1.1
70.97195	1.2
70.97504	1.4
91.04001	3.1
94.60165	1.1
95.52082	1.1
129.84683	1.2
182.72255	1.1
293.21164	15.1
294.21597	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	429.1039
Annotation	Bispyribac
Peak:m/z	Relative Intensity
54.01777	1.9
55.01870	2.2
56.06002	1.7
56.50273	2.2
57.03425	2.2
59.01379	16.4
67.01883	2.7
67.03005	1.9
70.30378	4.2
70.30768	4.6
71.01378	19.6
73.02923	6.5
77.77441	1.8
79.01839	1.8
83.01369	4.2
85.02948	11.9
86.20135	1.8
89.02421	3.1
95.01356	6.1
96.96011	12.5
101.02445	12.1
107.01393	10.9
109.02920	2.3
111.00847	7.9
113.02382	8.2
123.00891	29.6
124.01693	3.2
125.02457	45.0
136.98721	3.0
137.02318	2.1
139.00351	13.1
140.01170	10.2
141.01842	5.4
151.00356	16.3
161.04485	5.3
166.02458	1.9
168.00656	14.0
169.01430	59.0
170.01711	3.5
177.03952	3.4
193.04910	3.4
211.02477	12.6
233.10179	3.2
271.04544	24.8
277.09317	10.5
288.52219	1.9
313.05429	5.8
385.11383	42.7
386.11475	5.6
411.09363	11.3
429.09979	100.0
430.10019	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	427.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95388	7.2
59.01358	32.7
61.98829	100.0
71.52599	10.2
71.73224	6.7
79.95724	8.4
118.83279	6.6
125.02424	10.5
126.53043	6.7
129.18843	7.3
169.01447	7.3
195.85559	7.5
207.37715	7.5
252.07520	7.1
261.21353	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	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
56.99543	1.3
57.03442	2.8
59.01379	100.0
69.03449	5.7
71.01384	24.2
71.54510	1.7
72.99322	1.6
73.02950	61.4
74.41235	1.3
82.03358	1.2
83.01391	5.0
85.02941	8.3
87.00927	2.5
89.02444	6.8
95.01398	1.6
96.96025	5.6
97.02958	2.3
99.00877	2.8
99.04522	2.0
101.02448	19.5
102.02806	1.6
113.02449	11.1
117.03487	1.6
119.03495	2.6
120.46541	1.3
121.02988	1.7
121.06582	8.3
123.00842	1.7
125.02435	5.9
131.03557	2.1
133.02928	3.0
135.04539	2.2
135.86269	1.3
137.02477	3.2
137.09724	84.8
138.03189	2.6
138.10083	3.6
141.51430	1.3
145.02934	6.4
147.08110	1.7
161.02444	13.6
161.04492	7.1
163.03972	1.8
163.11316	7.1
165.04018	1.8
165.05557	1.7
169.01439	1.8
177.01950	1.6
177.12869	1.6
179.03548	1.6
185.00943	4.5
187.11235	2.5
205.12338	52.7
205.14284	2.6
206.12759	2.9
216.65558	1.4
265.10760	7.8
347.17050	2.0
427.16351	14.8
428.16608	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	427.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	0.4
58.00610	0.4
59.01379	12.0
69.03461	0.5
69.51047	0.4
69.64648	2.7
71.01379	10.0
72.99326	0.7
73.02924	0.6
83.01385	0.4
85.02950	0.9
87.00885	0.6
89.02435	2.9
93.03422	0.5
96.44489	0.4
96.95998	1.0
98.19928	0.8
99.00877	0.9
99.08076	0.4
100.46347	0.4
101.01813	0.5
101.02412	2.1
113.02439	1.6
119.03482	0.8
121.02953	100.0
122.03300	3.9
125.02441	1.5
131.02086	0.5
135.04524	87.4
136.04843	4.4
147.04475	0.5
149.94872	0.5
161.04620	0.7
163.04004	9.9
164.04272	0.6
167.06180	0.8
168.00667	0.5
169.01430	1.0
193.05029	1.3
205.12206	0.4
217.05174	0.7
223.06068	2.3
283.08270	0.4
307.44037	0.4
368.12732	0.8
427.16019	36.5
428.16470	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	427.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03447	5.0
59.01109	0.9
59.01382	12.8
61.98818	3.4
69.03442	0.6
70.67393	2.2
71.01000	1.4
71.01380	23.3
72.99309	3.9
73.02946	5.6
75.00870	21.8
78.95898	1.3
79.92203	0.7
83.01375	4.0
84.67159	0.6
85.02953	28.9
86.03266	0.8
87.00889	5.7
89.02454	4.7
95.01387	3.8
96.96947	1.0
98.19949	0.7
99.00871	6.7
101.02438	9.5
103.00383	1.0
111.00880	1.0
113.02449	25.0
115.00360	2.4
117.01924	2.3
125.02459	0.8
128.23026	0.6
129.01926	0.7
135.59142	0.7
157.01390	1.3
161.04486	3.6
165.06694	3.4
169.01437	0.9
175.02472	2.7
229.26146	0.7
236.56880	0.7
251.11346	2.9
367.12326	1.0
424.07654	0.7
427.14536	100.0
428.14948	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	427.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72822	0.6
55.01872	1.9
57.03186	0.6
57.03437	3.8
59.01379	13.8
61.58364	0.5
61.98834	4.0
68.99844	0.7
69.62905	3.9
70.73910	0.6
71.01380	23.2
72.99321	3.8
73.02942	5.3
75.00870	25.0
75.12170	0.6
78.95899	1.2
82.50300	0.7
83.01388	3.3
85.02948	28.4
86.03261	0.6
87.00871	7.9
87.04531	0.6
89.02455	5.7
95.01414	3.1
96.95987	1.2
96.96960	1.9
97.02959	1.2
98.02464	1.3
99.00880	9.7
101.02454	9.7
103.00402	0.7
111.00876	1.0
112.01617	0.7
113.02446	28.6
114.02751	1.1
115.00375	2.1
117.01928	1.8
122.03731	0.6
125.02417	1.0
131.03502	0.6
157.01422	1.2
159.02971	2.0
161.04507	3.0
165.06656	4.1
167.03468	0.9
172.13872	0.6
175.02463	2.3
187.06117	0.6
251.11382	3.3
268.91724	0.6
417.35846	0.6
427.14526	100.0
428.14932	9.4
454.61655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97765	0.3
56.58458	0.3
57.03454	3.5
59.01377	1.9
59.98507	0.6
61.98832	0.4
69.03452	5.0
71.01378	0.9
71.05024	2.1
73.02916	0.6
78.65393	0.4
82.83710	0.3
83.05026	1.2
85.02971	0.5
85.06577	0.8
87.00855	0.4
93.03448	2.4
96.96003	1.5
99.04520	9.6
111.04538	3.0
113.02419	0.5
125.02409	1.1
127.04016	0.6
137.02440	0.8
137.89449	0.3
155.03516	3.6
156.03734	0.4
169.01456	0.9
171.81207	0.4
173.04544	5.3
179.14423	0.5
181.12328	0.7
247.74794	0.3
251.16516	100.0
252.16862	8.9
425.21786	6.1
426.22122	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
57.03450	6.6
58.00592	0.7
59.01105	1.1
59.01382	17.4
61.98830	1.3
68.99841	0.6
69.03463	1.0
71.01003	1.4
71.01385	25.6
71.54163	0.9
72.99298	4.1
73.02956	5.0
75.00874	32.5
83.01400	5.2
84.02168	0.8
85.02954	35.8
86.03275	0.8
87.00877	10.4
89.02438	2.1
94.98169	0.7
95.01400	3.8
96.96014	1.2
97.02938	1.8
99.00874	10.7
101.02451	9.5
107.01403	1.4
111.00881	1.4
112.01667	1.6
113.02452	30.3
115.00357	2.4
117.01952	1.6
119.03459	0.7
119.40150	0.6
125.02435	7.4
127.44225	0.6
129.01904	0.9
139.00381	0.8
157.01375	2.0
161.04544	2.3
169.01427	9.0
175.02475	4.4
248.74918	0.7
249.13458	5.0
313.05637	2.5
365.18219	1.6
425.07886	8.7
425.16629	100.0
426.11362	1.1
426.16907	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	425.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03454	5.3
59.01375	14.7
61.98823	1.4
71.01385	23.7
72.99297	3.8
73.02940	4.3
73.46684	0.8
75.00873	28.4
76.57359	0.8
80.68587	0.9
83.01382	4.8
84.02154	1.1
85.02953	33.0
87.00872	8.8
89.02448	1.9
95.01384	3.5
96.96009	1.4
97.02952	1.2
99.00884	10.4
101.02449	8.4
112.01671	1.7
113.02454	23.6
115.00373	2.6
117.01949	1.5
125.02459	2.9
129.01930	1.0
157.01476	1.6
161.04514	1.2
169.01382	2.4
175.02489	3.2
191.09131	0.9
249.13396	4.2
303.11841	0.9
307.14108	1.1
318.94095	1.0
365.14520	1.6
425.16629	100.0
426.11237	1.4
426.16898	10.5
441.01697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	17.5
61.98829	16.8
63.94492	1.3
69.03456	3.6
69.32584	6.5
69.33001	4.2
71.01374	9.8
73.02946	5.3
73.87532	1.3
75.00865	2.1
77.12109	1.2
79.95740	2.2
81.03439	2.3
83.01385	3.0
83.05033	2.8
85.02930	6.4
87.00850	2.1
89.02444	2.9
93.03456	7.6
94.54608	1.4
95.75976	1.2
96.96011	27.9
97.02938	2.8
98.19870	2.6
99.00877	2.3
99.04519	50.2
100.04845	3.1
101.02425	6.3
107.01390	13.2
111.00879	1.7
111.04504	7.9
113.02449	5.9
119.03477	1.9
119.43813	1.5
123.00859	1.4
125.01515	3.1
125.02445	61.6
126.02823	1.7
127.03982	2.0
137.02411	6.3
142.07611	1.2
147.62823	1.3
155.03496	11.5
161.04539	3.8
169.01422	100.0
170.01715	3.3
173.04562	22.9
175.04065	1.5
177.04041	1.5
191.05646	3.2
203.10786	1.9
214.44481	1.5
239.12396	1.3
255.08720	2.0
256.99731	2.0
263.05768	2.0
273.09772	11.7
279.14551	6.9
320.91440	1.5
325.05637	13.3
343.06714	11.7
344.13306	1.6
365.21695	1.7
425.10974	33.7
425.16803	3.0
425.19894	2.7
426.11301	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	17.5
61.98829	16.8
63.94492	1.3
69.03456	3.6
69.32584	6.5
69.33001	4.2
71.01374	9.8
73.02946	5.3
73.87532	1.3
75.00865	2.1
77.12109	1.2
79.95740	2.2
81.03439	2.3
83.01385	3.0
83.05033	2.8
85.02930	6.4
87.00850	2.1
89.02444	2.9
93.03456	7.6
94.54608	1.4
95.75976	1.2
96.96011	27.9
97.02938	2.8
98.19870	2.6
99.00877	2.3
99.04519	50.2
100.04845	3.1
101.02425	6.3
107.01390	13.2
111.00879	1.7
111.04504	7.9
113.02449	5.9
119.03477	1.9
119.43813	1.5
123.00859	1.4
125.01515	3.1
125.02445	61.6
126.02823	1.7
127.03982	2.0
137.02411	6.3
142.07611	1.2
147.62823	1.3
155.03496	11.5
161.04539	3.8
169.01422	100.0
170.01715	3.3
173.04562	22.9
175.04065	1.5
177.04041	1.5
191.05646	3.2
203.10786	1.9
214.44481	1.5
239.12396	1.3
255.08720	2.0
256.99731	2.0
263.05768	2.0
273.09772	11.7
279.14551	6.9
320.91440	1.5
325.05637	13.3
343.06714	11.7
344.13306	1.6
365.21695	1.7
425.10974	33.7
425.16803	3.0
425.19894	2.7
426.11301	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.3
57.03461	2.2
59.01380	8.8
61.84969	0.8
61.98847	1.6
67.01897	0.8
68.99831	1.2
69.03454	0.9
69.53660	2.2
69.54086	3.6
71.01373	17.7
71.89193	0.7
72.99297	1.5
73.02961	3.2
75.00871	11.0
75.01237	1.0
79.01920	1.0
81.03487	1.0
83.01401	2.6
85.02953	15.4
87.00903	3.3
89.02464	2.0
95.01411	2.9
96.95988	1.8
97.02974	2.4
97.27482	0.7
98.20647	0.9
99.00878	4.2
101.02438	4.7
107.01384	12.8
108.02225	1.0
109.02969	2.0
111.00883	9.4
113.02446	14.2
115.00415	0.9
123.00884	10.8
124.01743	0.9
125.02445	74.0
126.02804	3.3
127.00472	1.4
127.02997	0.8
129.01895	1.4
136.98840	0.7
137.02469	2.3
139.00383	2.8
140.01175	1.9
141.01941	0.8
151.00380	7.8
153.01926	1.5
153.42207	0.7
165.01868	0.9
167.03468	1.5
168.00600	3.7
169.01418	100.0
170.01802	4.5
171.02014	0.9
175.02435	1.3
190.02635	0.9
211.02483	1.0
219.02899	0.8
232.78838	0.9
236.35416	0.8
241.03479	3.3
242.03989	0.7
249.13445	1.2
256.03577	0.9
257.98807	0.7
262.01242	0.8
313.05652	35.0
314.05829	3.8
315.06131	1.2
397.07761	1.0
407.07550	1.1
425.07089	86.8
425.16159	39.3
426.07318	10.6
426.16580	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	424.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85203	0.8
55.88535	1.0
59.01379	100.0
61.98829	22.2
62.85793	0.9
71.01366	1.5
77.77075	1.0
130.26698	1.0
194.62132	0.9
330.46671	1.0
424.16595	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25964	0.4
72.22556	0.4
78.95906	14.6
91.72101	0.4
94.99044	0.4
98.20670	1.1
110.98533	8.7
152.99588	0.8
165.91878	0.4
167.01147	12.6
169.64560	0.4
184.54160	0.4
185.02151	2.1
255.23285	100.0
256.23627	9.7
333.12030	0.4
423.25153	17.1
424.25394	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17706	1.0
69.18117	2.7
75.22796	0.4
78.95901	12.4
82.76587	0.3
83.64739	0.4
95.74989	0.4
97.79832	0.4
98.19826	0.7
99.94892	0.3
110.98524	8.2
134.82042	0.4
137.00000	0.4
146.94679	0.4
152.99562	0.7
167.01151	9.4
177.59036	0.4
185.02234	2.8
255.23280	100.0
256.23605	10.4
423.25183	13.4
424.25424	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	6.4
58.00570	0.6
59.01381	4.6
61.98823	2.0
69.03448	1.1
71.01382	1.2
71.02386	0.8
71.02713	1.1
71.05012	1.9
71.35394	0.6
73.02942	3.3
83.05016	1.4
85.02942	4.8
85.06586	3.6
87.00880	11.9
87.04508	10.2
87.04995	0.9
89.02477	0.8
96.18738	0.6
96.96012	0.8
97.06591	1.7
99.04500	0.8
99.08142	0.7
101.06074	4.1
106.30508	0.5
109.06570	0.7
111.08156	1.5
115.07639	5.2
121.06567	0.6
122.03748	0.6
123.08153	1.0
125.02436	2.0
125.09743	1.5
127.11294	0.6
129.09250	1.6
135.08147	0.8
137.09712	1.9
138.05588	1.9
139.07628	0.8
141.09195	1.1
143.07146	0.7
144.07916	0.7
145.02950	1.0
145.08693	2.0
150.03242	0.7
151.93645	0.7
153.09219	1.2
155.10764	2.6
159.10243	0.6
165.05598	1.6
167.10815	1.0
169.01440	1.7
171.10207	0.7
173.11813	5.8
193.01692	0.7
195.06708	1.3
195.13899	1.6
203.12897	2.5
213.14870	0.9
231.16028	1.2
255.02971	2.0
256.03574	0.9
259.18997	0.8
289.20242	5.7
290.20395	0.7
301.20224	1.1
305.11325	0.6
318.08786	0.7
319.21213	2.7
329.23187	1.0
341.22787	0.7
405.24911	46.1
406.25223	5.5
423.07617	2.4
423.25983	100.0
424.26303	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	423.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28735	1.2
55.01886	2.0
57.03174	1.2
57.03432	5.3
58.00588	1.3
59.01107	1.6
59.01378	26.1
61.22047	1.4
61.98815	3.6
67.01887	2.7
68.99810	1.6
69.36031	1.5
69.49547	9.1
71.01377	31.0
72.99297	6.2
73.02944	4.2
75.00873	28.5
79.01868	1.8
83.01386	4.2
85.02952	35.3
87.00862	11.1
89.02433	10.0
95.01388	7.1
96.96951	1.4
97.02914	3.2
99.00882	12.2
101.02442	13.2
107.01379	7.2
108.02164	3.7
109.02942	14.3
111.00851	4.5
113.02447	31.2
115.00362	2.6
118.36416	1.2
119.03469	3.6
123.00890	13.1
124.01651	2.1
125.02438	37.5
129.01935	1.6
131.03520	1.7
136.98802	2.2
139.00333	6.7
140.01102	5.2
141.01913	1.8
141.37793	1.4
151.00368	10.7
152.00699	1.4
156.30939	1.2
161.13409	1.7
168.00679	6.8
169.01416	45.9
175.02452	3.4
211.02423	2.5
255.02919	5.3
313.05634	19.4
405.13837	1.7
423.09134	91.4
423.14981	100.0
424.09442	11.3
424.15335	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	423.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25814	0.7
55.01851	1.4
57.03447	5.0
59.01104	1.3
59.01380	22.7
67.01901	0.9
68.99814	1.1
69.03444	0.8
69.38935	2.2
69.39343	3.5
71.01379	29.7
72.99309	5.6
73.02936	3.0
75.00871	34.2
83.01373	4.0
84.02158	1.4
85.02950	34.1
87.00874	10.4
89.02445	9.1
95.01385	4.2
97.02940	1.2
99.00889	11.4
101.02440	6.7
103.00384	0.8
109.02980	1.1
113.02450	33.3
113.03256	1.8
114.02768	1.1
115.00351	3.2
117.01935	2.3
119.03493	2.6
123.00903	0.9
125.02422	3.4
129.01924	1.6
131.03525	1.4
131.56850	0.7
144.33867	0.7
157.01392	1.3
169.01411	3.1
173.04539	2.2
175.02463	2.8
193.03555	0.9
213.27602	0.8
305.12341	1.1
308.64301	1.0
313.05576	0.9
363.12912	1.2
423.09503	5.9
423.15027	100.0
424.09976	0.9
424.15280	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	10.1
59.01380	94.3
61.98824	4.3
65.17514	2.2
71.01382	41.7
71.54645	3.5
77.42319	2.0
81.92944	2.3
83.01379	7.8
85.02955	11.1
87.00857	3.2
89.06083	9.6
92.32695	2.1
93.03439	2.2
96.96018	6.7
96.96947	3.0
97.02949	6.1
102.98979	2.4
113.02457	9.3
121.02962	100.0
124.01642	3.2
125.02467	13.5
137.02454	3.1
185.08231	4.3
221.60257	2.7
233.10295	31.6
268.06268	2.9
291.08762	5.4
381.11890	8.1
423.08731	2.4
423.13080	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16708	0.7
54.99057	0.6
55.01876	1.6
57.03442	2.0
59.01380	100.0
60.01731	0.7
65.00294	0.7
68.99829	2.2
69.03468	2.5
69.49112	4.4
71.01383	55.7
71.05022	0.8
72.01741	1.2
73.02950	5.9
81.03473	4.0
83.01393	13.0
85.02956	12.0
87.00868	0.9
87.04523	2.7
89.02458	2.9
89.06103	4.3
95.01391	3.0
96.96033	1.5
97.02971	2.7
97.13123	0.6
98.19884	1.0
99.00874	1.4
99.04536	1.1
99.74165	0.6
101.02448	10.3
110.01945	0.8
112.01665	2.1
113.02448	15.8
121.02956	45.9
122.03303	2.0
125.02445	6.4
131.07182	1.2
143.03476	2.1
145.02971	0.9
155.07208	0.9
161.04584	2.6
165.01945	1.1
185.08208	1.2
219.06393	0.7
233.10291	45.8
234.10713	3.7
237.07715	1.3
272.15399	0.6
275.11349	1.1
291.08710	1.3
381.11841	5.0
423.12967	45.6
424.13489	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	423.0932
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
56.36055	0.7
56.57424	0.6
59.01381	1.6
60.19238	0.6
62.67006	0.7
69.03442	0.7
69.38983	1.6
69.39378	4.3
71.01379	5.3
73.02945	0.9
77.64320	0.7
79.01869	0.9
83.01398	1.5
85.02963	2.6
95.01397	3.1
97.02963	1.0
98.19847	1.3
101.02430	2.6
107.01388	6.4
108.02178	6.0
109.02960	15.9
111.00887	2.5
113.02454	2.3
123.00897	12.7
124.01684	1.4
125.02451	32.7
126.02785	1.4
127.00379	1.5
130.04037	0.7
136.98849	1.3
139.00374	5.6
140.01131	3.6
141.01984	1.3
151.00360	11.7
153.01939	0.9
168.00676	3.4
169.01431	45.3
170.01770	1.2
175.04021	0.9
181.75803	0.8
193.01372	0.8
211.02533	1.1
220.12881	0.8
221.02379	0.7
253.03487	0.9
256.03531	0.7
306.82831	0.7
313.05655	9.4
318.82700	0.8
423.09344	100.0
424.09677	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	421.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	11.3
59.01380	40.2
61.98818	8.3
63.92589	3.6
64.81913	3.7
71.01367	18.1
71.54831	4.8
73.02951	19.9
75.00857	4.0
77.80772	3.3
79.95753	7.0
80.96523	3.7
83.05006	4.9
84.00891	4.8
85.02937	15.6
87.00890	21.8
87.04505	11.3
87.05017	3.3
87.39620	3.4
88.96090	3.6
89.02421	10.5
96.96011	46.1
97.06576	5.2
98.20341	5.3
99.04552	6.8
101.02415	5.3
101.06086	4.5
109.06602	3.9
110.97663	4.3
111.04474	3.7
113.02452	6.4
113.06116	4.0
125.01601	4.5
125.02451	10.2
135.04543	3.8
137.09663	5.0
141.09062	3.3
157.08717	3.8
169.01474	4.6
172.08781	11.3
203.09148	9.9
212.46143	3.2
215.09306	8.1
216.07735	6.6
217.10789	7.1
217.14407	4.1
233.10233	11.9
259.06201	5.5
385.22180	4.1
403.23309	30.8
421.09576	22.4
421.16260	29.0
421.24615	100.0
422.10345	8.7
422.16235	3.8
422.24744	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	421.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	15.8
59.01365	17.8
61.98850	5.6
62.25199	5.7
62.54071	5.8
63.40103	4.5
69.87074	29.3
71.01364	5.9
78.95898	14.9
96.95993	18.2
97.06551	7.5
99.00854	7.0
107.05032	6.1
107.65002	4.5
109.02974	9.2
111.04508	19.8
121.06593	28.7
123.08161	8.7
123.78844	6.0
125.02429	13.3
128.44424	4.6
131.50414	4.9
135.08121	9.8
135.11780	10.3
137.02451	6.4
137.09767	7.6
138.06828	13.7
139.07642	82.0
149.09729	5.8
153.09232	49.8
161.09694	7.2
163.11346	7.0
165.09192	5.6
167.10730	9.7
177.09131	6.4
179.10780	9.5
183.05104	8.0
183.06630	100.0
193.12341	11.7
211.13330	17.5
216.43613	5.1
255.12376	11.5
271.20599	12.0
312.73117	6.1
315.19650	12.7
333.20535	8.7
352.63733	5.9
377.19656	56.6
378.19937	8.3
407.90942	5.4
422.08881	16.9
425.38507	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	421.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	11.2
59.01381	58.3
61.98830	8.6
68.60644	3.8
70.06430	16.4
71.01373	21.7
71.05038	5.4
72.70586	3.9
73.02950	17.1
79.95717	7.2
83.05013	4.7
85.02944	27.4
87.00886	25.6
87.04521	14.9
89.02464	11.7
95.04993	4.6
96.96013	69.5
97.06603	5.5
99.04520	16.6
101.02447	9.7
108.02225	4.8
109.06570	5.7
111.04530	8.8
113.02449	4.3
119.03549	4.1
125.02420	8.7
127.07661	7.7
135.04533	4.8
139.07677	4.8
146.08153	5.6
150.03236	4.0
153.09241	7.3
169.01382	6.2
172.08784	7.0
177.01894	7.2
187.09753	5.5
203.09259	15.8
215.09250	17.3
217.10707	13.5
233.10307	22.0
259.06104	9.5
304.65964	4.3
311.09085	5.6
351.05283	4.1
355.35278	4.0
377.18231	5.1
403.23413	29.7
404.23892	4.2
421.09241	25.3
421.16348	44.0
421.24615	100.0
422.16446	10.3
422.24594	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	421.114
Annotation	Benzyl 6'-O-galloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01875	0.8
57.03442	0.7
57.49613	0.3
59.01147	0.5
59.01389	5.4
61.98830	0.9
65.00343	0.4
65.24569	0.4
67.01894	1.4
68.99825	0.7
69.03459	0.5
71.01379	6.0
72.99312	1.3
73.02949	2.4
79.01893	1.3
83.01382	2.1
85.02943	3.8
85.08385	0.3
87.00866	0.9
89.02483	0.4
95.01378	2.8
96.95992	3.0
97.02971	1.0
99.00867	1.2
101.02436	4.3
107.01389	4.6
110.00084	0.6
111.00863	3.0
113.02468	1.6
123.00890	19.9
124.01720	2.3
125.02448	19.8
126.02774	0.8
127.00371	1.3
136.98816	2.5
137.02415	0.8
139.00372	8.2
140.01154	4.9
141.01936	2.2
149.99609	1.2
151.00363	14.4
152.00775	0.6
153.01909	0.5
161.04546	0.4
166.56363	0.3
168.00635	3.8
169.01425	22.3
170.01790	1.0
181.05148	0.6
201.46567	0.4
211.02609	0.5
258.13449	0.4
313.05453	2.0
314.45499	0.4
361.18594	0.5
421.11389	100.0
422.11722	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	421.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06202	0.3
51.61421	0.2
52.92714	0.2
55.01863	0.8
56.73135	0.3
57.03431	0.6
58.00580	0.3
59.01102	0.4
59.01380	6.2
61.98824	0.8
65.00320	0.4
67.01875	1.0
68.99789	0.5
69.03451	0.8
69.12200	0.2
71.01385	6.2
71.55582	0.4
72.99295	0.8
73.02952	2.1
79.01883	1.3
81.03444	0.4
83.01380	2.6
85.02949	3.8
86.00069	0.2
87.00865	1.1
88.73452	0.2
89.02422	0.7
95.01398	2.9
96.96014	4.8
97.02953	1.2
99.00885	0.7
101.02442	4.6
101.31096	0.2
107.01382	5.0
109.02996	0.3
110.00087	0.6
111.00877	3.5
113.02464	2.5
115.32181	0.3
123.00883	19.3
124.01611	1.2
125.02444	20.1
126.02750	0.8
127.00349	1.4
130.08771	0.5
135.04565	0.3
136.98827	2.3
137.02434	0.8
139.00375	7.9
140.01180	5.3
141.01964	2.1
149.99602	1.7
151.00366	14.3
151.03961	0.5
152.00719	0.7
153.01920	0.8
158.81274	0.3
161.04570	0.4
163.04030	0.4
168.00630	4.3
169.01425	23.2
170.01747	1.1
179.03432	0.3
181.05032	0.4
195.06697	0.3
198.51311	0.3
209.32581	0.3
235.95218	0.3
253.03539	0.4
269.17722	0.3
297.29425	0.3
313.05533	2.7
361.18488	0.4
403.23248	0.4
421.11386	100.0
422.11737	12.3
422.17566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2753
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
50.85341	0.7
53.91116	0.6
56.04221	0.6
59.01373	1.0
61.98789	0.8
67.18949	0.8
71.53633	0.9
81.50002	0.6
93.03482	1.2
102.05510	0.7
108.16243	0.6
121.02956	100.0
122.03307	4.5
126.35677	0.7
127.77692	0.6
172.31424	0.6
189.31583	0.7
325.97198	0.7
420.27548	48.1
421.27808	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	420.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
59.01387	1.6
68.02541	0.5
71.01381	0.5
71.98891	0.2
73.02973	0.3
79.95742	1.7
85.02967	0.3
93.03460	0.8
95.01434	0.2
95.95258	0.3
96.96013	100.0
97.95946	0.4
109.88634	0.2
113.02463	0.4
121.62823	0.2
123.00853	0.4
124.01653	0.5
125.02439	1.7
126.00958	0.2
126.87912	0.2
128.10797	0.5
130.08740	27.4
131.09081	1.0
137.02438	1.4
138.05640	2.5
143.93649	0.2
151.00337	0.3
153.01930	0.4
154.01462	0.9
169.01418	0.8
186.88673	0.2
241.93774	0.2
281.06567	0.5
289.07593	0.6
322.20203	2.0
333.04437	0.5
340.21265	14.1
341.21613	1.9
370.87894	0.2
420.17044	30.0
421.11469	0.8
421.17050	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	420.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.6
61.98831	100.0
64.85854	0.3
69.38543	1.4
69.38981	1.5
71.01382	1.0
73.02968	0.4
75.00848	0.4
78.44010	0.4
79.95783	0.4
81.84734	0.3
85.02965	0.6
87.00915	0.5
92.37323	0.3
96.96016	15.2
98.20678	0.8
107.01332	0.3
107.05048	0.4
109.02982	0.5
113.02472	0.5
125.02457	1.4
130.08727	3.1
136.03409	0.4
137.02489	0.4
139.31357	0.4
151.00594	0.4
151.07645	1.0
169.01427	1.0
195.06657	5.4
213.05594	0.7
214.05954	1.2
256.53574	0.4
313.08426	1.1
322.20306	0.4
340.21265	1.9
357.12051	0.5
361.71191	0.4
370.80212	0.4
420.17105	4.4
420.22864	1.5
421.11603	1.0
421.24609	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
59.01387	1.6
68.02541	0.5
71.01381	0.5
71.98891	0.2
73.02973	0.3
79.95742	1.7
85.02967	0.3
93.03460	0.8
95.01434	0.2
95.95258	0.3
96.96013	100.0
97.95946	0.4
109.88634	0.2
113.02463	0.4
121.62823	0.2
123.00853	0.4
124.01653	0.5
125.02439	1.7
126.00958	0.2
126.87912	0.2
128.10797	0.5
130.08740	27.4
131.09081	1.0
137.02438	1.4
138.05640	2.5
143.93649	0.2
151.00337	0.3
153.01930	0.4
154.01462	0.9
169.01418	0.8
186.88673	0.2
241.93774	0.2
281.06567	0.5
289.07593	0.6
322.20203	2.0
333.04437	0.5
340.21265	14.1
341.21613	1.9
370.87894	0.2
420.17044	30.0
421.11469	0.8
421.17050	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	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97036	23.4
59.01392	27.0
61.98823	50.8
68.20960	19.6
72.28469	21.5
77.73572	26.5
79.02397	20.0
80.97356	22.7
88.98814	29.2
96.35741	25.2
96.96004	34.6
128.27451	25.1
134.30679	20.9
143.54424	21.4
239.40079	22.3
346.13959	21.2
419.16150	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	419.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	87.8
60.01788	70.9
63.05053	74.9
71.53626	73.5
81.75969	71.9
83.65475	74.3
84.64478	78.0
127.40709	81.5
139.34758	75.4
237.54140	87.2
291.20007	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	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05651	39.6
57.71562	41.6
59.01368	50.3
61.98828	100.0
65.59107	48.1
68.76851	40.8
71.54753	64.1
94.91486	39.4
96.96033	67.3
105.93143	44.2
127.33465	41.5
131.09894	38.6
214.09474	40.8
285.47913	51.2
288.70764	39.9
369.59488	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15735	32.0
54.68859	29.0
55.69972	26.7
59.01379	66.8
61.28598	29.8
61.98825	50.4
66.68382	34.3
70.34050	32.6
70.65630	100.0
70.66005	29.4
83.68787	33.1
91.38591	36.9
119.77856	29.1
126.30711	36.6
180.81705	36.1
212.67889	31.0
329.16980	32.6
413.49646	29.8
419.16156	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	87.8
60.01788	70.9
63.05053	74.9
71.53626	73.5
81.75969	71.9
83.65475	74.3
84.64478	78.0
127.40709	81.5
139.34758	75.4
237.54140	87.2
291.20007	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	419.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01378	100.0
60.01709	1.4
67.04049	0.7
69.03467	1.3
69.31940	6.0
71.01392	4.5
72.99314	0.7
73.02939	1.2
83.01401	1.0
84.36586	0.6
85.02962	5.3
87.00856	1.6
89.02458	3.9
95.01385	0.8
96.96009	1.4
97.02962	2.6
97.06602	2.1
99.00938	0.8
101.02458	1.8
106.33984	0.7
113.02463	1.5
119.03497	1.3
122.03731	0.6
123.00900	0.9
125.02485	1.8
129.01968	2.1
137.06084	1.6
141.01988	1.2
153.12842	19.0
154.13213	1.0
159.54216	0.7
160.25372	0.6
165.12906	2.4
167.91058	0.6
169.01466	1.0
177.82446	0.6
179.10739	5.6
183.13879	6.6
191.05591	1.6
197.11818	38.4
198.12143	3.2
209.06685	3.5
221.08171	0.9
227.12846	3.7
419.19247	11.1
420.20502	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01712	1.6
61.98851	0.7
62.15354	0.4
65.85010	0.5
66.25103	0.5
67.11280	0.5
69.03450	1.2
71.00471	1.0
71.01379	5.3
71.04996	0.7
71.62952	0.5
72.99312	1.3
73.02958	0.9
83.01391	0.6
85.02953	3.0
87.00882	1.2
89.02459	3.8
93.03433	0.5
95.05003	0.7
95.10912	0.5
96.96021	1.8
97.02975	1.8
97.06588	2.0
99.04528	0.7
99.08183	0.9
101.02460	1.8
108.02192	0.7
111.00936	0.6
113.02471	2.0
113.06086	1.1
119.03478	1.5
121.02949	0.6
123.04504	0.6
125.02472	2.2
127.07617	0.5
129.01942	1.0
137.06038	3.0
140.01253	0.6
141.01927	1.3
151.04008	0.6
153.01956	0.8
153.12851	16.9
154.13152	1.0
155.07159	0.5
165.12880	1.4
169.01453	2.3
179.05620	0.9
179.10770	6.1
183.13898	5.3
191.05663	0.7
197.11821	36.2
198.12268	2.2
209.06653	1.3
221.08250	1.3
223.92674	0.5
227.12816	3.2
301.66632	0.5
385.42303	0.5
402.18256	0.6
408.45535	0.6
418.65881	0.9
419.19135	6.7
420.19873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99122	0.7
57.03435	1.4
59.01380	79.4
59.20480	0.8
60.01702	0.8
71.01373	2.3
71.52589	1.7
73.02965	1.0
73.91442	0.9
85.02947	1.9
87.00847	2.0
87.74954	0.8
89.02432	2.1
89.52208	0.8
96.96014	22.8
99.04549	1.2
101.02441	1.2
113.02438	1.3
125.02438	2.2
130.08760	5.1
137.02451	1.1
149.04506	1.9
151.00308	0.9
154.77277	0.9
165.12865	1.5
169.01440	1.6
173.04346	0.9
207.13802	3.4
209.11839	4.9
225.14969	3.9
227.12894	38.5
228.13216	2.9
269.13934	10.0
287.14993	100.0
288.15356	9.9
313.31967	0.9
333.04324	1.9
340.21265	2.9
342.28207	0.9
418.63809	0.9
419.18674	17.0
419.23785	1.5
420.16620	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	419.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.1
62.71505	1.9
63.61399	1.8
65.27311	1.6
71.01392	8.4
71.53816	2.4
73.02931	2.8
85.02941	7.8
87.50843	1.9
89.02442	4.1
96.96033	5.4
101.02470	3.0
107.01392	2.6
108.02180	48.2
109.02952	7.4
113.02439	3.8
121.02987	2.1
124.49012	2.0
125.02431	3.1
134.51248	2.2
135.78807	2.1
137.02458	10.4
137.09776	2.0
139.00325	3.6
145.02980	4.3
147.04526	6.1
151.04002	9.7
152.01140	26.5
153.01939	11.8
161.02380	2.2
163.03999	12.0
169.01378	2.1
173.02504	2.5
174.03229	5.6
175.04002	29.9
176.04718	8.7
177.05588	3.1
179.03566	3.7
180.04279	13.0
188.04770	4.8
189.05573	13.6
190.06339	31.1
191.07124	25.2
193.05049	13.4
194.05838	9.0
203.07152	5.2
205.08669	28.6
207.06612	11.4
208.07433	12.0
209.07803	2.2
211.02614	2.4
222.09016	2.5
223.09821	3.6
242.05678	3.4
257.08170	4.0
358.10474	2.0
359.11569	2.4
374.13321	3.8
389.16058	100.0
390.16287	16.2
419.09763	27.4
419.22894	2.7
420.10025	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	419.1346
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
59.01382	6.7
65.03966	0.7
65.37839	0.6
69.36747	1.4
69.37154	3.6
70.33260	0.6
70.53290	0.5
71.01370	4.6
73.02962	1.1
81.38108	0.6
83.01366	0.9
83.05008	0.9
85.02946	2.3
85.44131	0.6
87.00839	0.6
89.02439	3.2
93.02962	0.7
93.03447	4.4
95.01375	1.3
96.96021	0.9
99.00878	0.8
101.02438	2.6
106.04234	12.5
107.05033	25.7
108.02213	3.7
108.05352	1.2
109.02936	1.0
113.02415	2.4
119.03453	0.6
119.05030	2.2
121.02959	4.0
125.02460	0.8
135.02971	0.8
138.03189	0.9
151.04010	2.7
162.42096	0.5
169.01483	1.2
171.08086	1.3
179.33446	0.6
183.13881	1.1
187.50156	0.5
211.07622	10.0
212.08005	1.0
213.09200	68.7
214.09525	8.0
234.85495	0.5
257.08182	10.7
258.08463	1.0
282.91104	0.7
301.16559	0.9
359.71118	0.6
419.13446	100.0
420.13733	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	419.1196
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.77005	0.4
55.01876	0.6
57.03452	0.6
59.01380	6.5
67.01894	1.5
67.16993	0.4
68.99830	0.5
69.03453	0.5
70.41225	0.8
70.41618	0.8
71.01386	7.4
72.99306	0.6
73.02943	1.9
76.38783	0.3
77.54410	0.3
79.01884	1.3
81.73848	0.3
83.01390	1.6
85.02951	3.9
87.00891	0.8
87.04506	0.7
89.02425	1.9
89.63456	0.4
95.01405	2.6
96.99300	0.4
97.02969	0.9
98.19962	0.5
99.00874	1.3
101.02460	5.6
105.05560	1.3
107.01397	5.9
110.00063	0.6
111.00878	1.9
113.02465	2.6
123.00893	15.6
124.01639	1.6
125.02452	19.3
126.02787	0.7
127.00372	0.6
136.98804	1.6
139.00375	4.8
140.01195	3.2
141.01965	2.1
151.00372	12.5
152.00739	0.8
153.01907	0.6
161.04591	0.8
163.03886	0.4
168.00664	3.6
169.01428	28.0
170.01770	1.2
179.03464	0.5
182.04590	1.6
211.02507	2.1
253.03412	0.6
256.68924	0.4
265.85709	0.4
266.65433	0.4
267.11160	0.4
271.04663	2.7
272.05139	0.5
313.05673	3.2
419.11948	100.0
420.12323	12.9
432.71930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.03439	0.5
59.01379	8.3
67.01869	1.0
69.89107	2.2
71.01380	6.8
72.99279	0.4
73.02941	2.0
79.01891	1.1
83.01390	2.1
85.02955	3.3
87.00903	0.6
89.02452	2.5
89.83624	0.4
95.01370	2.3
97.02940	0.6
99.00843	0.8
101.02435	5.0
105.05552	0.9
107.01405	4.3
108.02183	1.1
109.02987	0.9
111.00873	2.2
113.02439	2.3
119.03515	1.0
123.00886	14.1
124.01672	1.4
125.02448	18.8
126.02783	1.2
127.00337	0.9
135.29720	0.5
136.98813	0.7
139.00368	6.2
140.01190	3.0
141.01929	1.7
151.00368	10.3
151.03960	0.7
152.01118	2.0
153.01813	0.7
154.01613	0.6
161.04622	0.6
168.00648	3.1
169.01421	26.8
170.01747	1.5
179.03250	0.6
197.94162	0.4
211.02492	2.7
271.04703	2.2
313.05777	2.5
419.11917	100.0
420.12222	11.9
420.17679	0.9
426.08545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15574	2.3
57.03445	4.9
59.01383	45.4
61.98832	9.4
67.01865	4.6
69.03459	4.2
70.02970	4.1
71.01377	41.9
71.53390	3.6
72.99303	7.1
73.02937	10.9
75.00883	19.8
78.95918	4.3
83.01369	5.8
85.02950	49.0
87.00864	15.0
89.02447	21.5
89.21976	2.3
95.01407	11.8
96.07400	2.7
96.95993	6.0
96.96954	5.1
97.02905	3.0
99.00887	15.1
99.04534	2.6
101.02431	12.8
107.01383	14.6
111.00876	4.0
112.76795	2.4
112.98605	2.5
113.02442	47.7
116.92865	3.0
117.01943	4.7
119.03513	3.8
123.00883	18.4
125.02458	63.7
125.03452	7.6
127.00449	2.9
132.11896	2.5
137.02420	3.4
139.00354	7.2
140.01167	4.6
149.04556	3.6
150.03214	4.7
150.97444	2.6
151.00339	22.0
165.01964	3.5
165.05594	3.8
166.02670	11.4
168.00703	5.5
169.01433	73.5
170.01695	3.0
170.04585	9.6
179.05722	2.6
181.05080	16.0
183.02986	3.8
221.47925	2.6
231.03117	3.8
239.12805	2.5
243.05090	10.4
249.06134	18.8
267.07196	94.7
268.07611	4.6
285.06149	8.4
313.05573	6.7
357.08340	5.1
401.07040	4.6
419.08066	100.0
419.12225	63.0
419.19464	6.5
420.08289	9.1
420.12357	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40057	0.6
56.18797	0.7
57.03444	2.8
59.01385	7.8
59.05146	0.6
60.99306	13.8
69.03432	0.7
69.32841	3.4
69.33264	2.0
71.01370	2.9
72.99306	0.8
73.02944	1.8
74.82365	0.7
75.00871	1.1
83.05029	2.4
85.02943	2.6
87.00870	6.7
88.98805	100.0
89.02448	1.9
89.99137	1.0
96.95978	2.1
99.04524	2.3
101.02464	1.5
101.06082	3.2
109.02916	0.8
109.06586	1.1
111.04440	0.8
113.02444	1.8
116.05066	1.5
123.00945	0.9
123.04528	1.5
124.01680	1.7
125.02445	2.7
127.07625	0.7
132.04536	4.6
137.02443	1.6
137.54463	0.8
138.03291	0.7
139.04024	2.6
139.07629	0.8
151.00354	0.7
153.05606	1.0
160.03981	3.9
167.03528	3.7
169.01454	0.9
174.03122	1.0
175.03981	1.1
176.03468	1.6
187.03427	0.8
192.06741	4.5
192.08174	0.7
198.05409	1.1
204.03030	2.4
205.05130	0.8
207.10278	1.6
221.08255	1.5
228.05380	3.5
236.05653	9.6
237.06029	1.1
241.07347	3.6
243.07742	2.5
253.09839	1.0
255.11371	1.1
256.09668	0.9
257.13922	2.6
266.07047	1.7
267.07425	0.7
275.15063	2.2
281.04541	1.3
281.09335	2.2
297.03827	1.2
298.04944	1.3
299.10397	6.5
300.10693	1.2
312.06396	1.1
313.07318	4.5
326.07907	1.3
327.08673	4.2
329.06311	3.5
329.10141	1.4
343.08386	3.1
344.08978	4.8
358.10513	13.7
359.11295	21.5
360.11703	3.2
373.12848	18.8
374.13141	2.3
387.08032	0.9
389.12323	6.0
390.12582	0.8
401.22049	3.5
404.09448	0.9
404.14749	21.3
405.14987	3.1
419.11581	1.8
419.17020	31.9
419.22910	12.3
420.17334	4.7
420.23276	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02400	2.1
57.63369	2.1
59.01379	100.0
71.32223	4.3
96.95974	2.8
112.36028	1.9
121.02961	3.1
162.84158	1.9
229.14325	2.8
270.02136	2.0
271.22842	3.8
340.27060	2.2
417.32257	15.8
438.77469	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2493
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01873	2.7
57.03449	2.4
58.00599	5.4
59.01379	98.5
60.01707	2.1
61.98835	2.9
69.14807	6.3
69.15237	8.3
71.01379	100.0
72.01713	2.0
72.99300	5.7
73.02939	20.3
83.01404	10.4
85.02937	33.3
87.00880	6.7
89.02444	74.6
95.01392	7.9
96.95997	2.0
97.02950	2.1
99.00863	5.0
101.02436	76.0
102.02790	1.7
113.02444	44.3
115.72001	1.8
119.03497	30.9
122.97424	1.7
125.02451	3.6
129.01926	2.3
131.03499	2.6
143.03473	8.4
149.04538	2.3
159.02965	6.8
161.04547	28.7
179.05579	10.6
243.23679	1.6
255.19684	8.6
397.23120	1.8
417.24890	19.9
418.25247	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.94979	11.3
61.80566	10.9
62.87871	11.8
80.48801	11.1
98.19897	44.4
99.80702	12.0
102.21876	15.4
133.06548	13.6
165.26805	13.0
261.10953	13.1
385.45834	12.3
417.33224	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	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63227	1.7
56.62406	1.5
57.03442	12.8
57.09725	1.2
59.01376	14.9
67.01893	4.2
69.03442	5.7
70.66622	4.1
71.01373	6.5
71.87214	1.3
72.99306	100.0
73.02956	2.0
81.03454	3.6
83.01380	10.6
83.05001	1.4
85.02947	63.2
86.03293	2.7
95.01382	11.8
96.96012	4.3
98.20524	2.0
99.04507	6.1
101.02411	2.3
111.00865	2.0
112.01633	2.9
112.73119	1.6
113.02447	64.2
114.02763	2.4
117.05583	2.3
121.02901	3.6
125.02451	7.1
127.03992	6.3
130.02682	7.4
137.02354	1.4
139.03929	1.4
145.05070	26.7
151.00314	1.7
165.12895	1.6
169.01402	6.8
171.01588	2.4
171.02985	41.2
171.29353	1.4
183.13908	7.3
189.04030	32.7
190.04442	1.5
227.12828	7.2
339.40665	1.6
357.26160	2.0
417.13885	1.6
418.15454	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	417.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75857	31.6
54.95427	35.3
58.06564	32.8
59.01361	100.0
61.98831	42.3
71.01395	32.9
71.55135	53.4
77.70370	31.2
79.95706	47.1
96.95988	55.1
110.24105	32.2
124.79343	38.0
126.49947	34.0
126.55699	37.4
141.44144	34.8
233.51587	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
57.03445	10.0
58.00581	1.5
59.01378	70.9
61.29408	1.2
61.40569	1.5
62.51564	1.4
69.36411	6.6
69.36829	4.3
71.01385	26.2
72.99278	1.9
73.02921	4.9
83.01350	3.9
85.02956	7.3
87.00854	3.5
87.94876	1.3
89.01933	1.6
89.02444	22.5
92.40964	1.2
92.69401	1.2
95.01344	4.5
99.00884	2.3
101.02437	19.3
107.01342	4.0
111.00861	3.3
113.01833	1.4
113.02448	13.1
119.03506	8.9
121.02901	5.3
123.00899	13.3
124.01608	2.5
125.02444	25.8
126.81309	1.3
131.03398	1.5
135.04486	3.0
135.08104	1.4
136.98730	3.3
137.02361	1.5
139.00343	7.1
139.03976	2.0
140.01082	5.1
141.01881	2.3
143.03513	3.3
151.00360	12.8
151.11182	5.4
153.24165	1.4
161.04552	13.5
167.03387	1.9
168.00594	6.6
169.01433	21.3
177.09116	3.2
179.05495	4.8
181.08661	1.9
183.02902	2.1
193.12196	2.7
195.10135	2.0
197.11890	2.5
211.02315	2.1
219.10156	1.6
237.11179	4.2
238.03862	1.5
238.11757	1.4
241.10603	3.8
255.08612	2.5
271.04715	1.6
316.46967	1.5
357.15503	15.4
417.13583	100.0
418.14011	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56913	0.3
55.01860	1.0
57.03450	0.8
58.05920	0.3
59.01382	9.2
61.98826	1.1
67.01881	1.3
68.99820	0.6
69.03446	0.9
70.05307	1.6
71.01382	10.0
72.99297	1.1
73.02944	2.4
75.00893	0.5
79.01902	0.9
81.03465	0.5
83.01398	2.1
85.02959	5.3
87.00889	1.3
89.02440	3.0
89.15081	0.3
91.01899	0.7
94.71599	0.4
95.01388	2.9
96.96003	0.6
97.02947	1.2
99.00892	1.1
101.02438	6.7
104.01853	0.5
106.74303	0.3
107.01393	4.7
108.02222	0.6
109.02969	0.5
111.00879	2.9
113.02438	4.2
119.03487	0.8
121.02956	1.0
121.17775	0.4
123.00886	16.0
123.04511	3.2
124.01665	1.2
125.02446	19.1
126.02812	0.8
127.00433	0.6
132.02065	0.3
132.13699	0.4
136.98817	1.1
137.02444	0.8
139.00352	5.8
139.03978	0.5
140.01183	4.4
141.01936	1.6
151.00374	13.5
151.04057	0.8
152.01031	1.5
153.01929	1.3
155.03476	0.4
156.35060	0.4
161.04581	1.2
163.03957	0.4
165.01985	0.8
166.02727	0.7
166.05037	0.6
167.03493	12.1
168.00642	4.1
168.03847	0.6
169.01421	23.4
170.01796	1.0
179.03459	0.8
181.04984	0.9
208.15787	0.4
209.04544	1.0
211.02475	1.1
218.39786	0.4
244.56255	0.4
246.82359	0.4
251.05458	0.4
271.04568	1.5
296.97498	0.4
305.06683	1.0
313.05670	1.4
417.14001	100.0
418.14359	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	417.1402
Annotation	Itoside I
Peak:m/z	Relative Intensity
50.86330	0.5
52.77375	0.5
55.01867	1.1
57.03446	0.7
57.06818	0.5
59.01381	14.9
65.31300	0.5
67.01880	1.5
69.03434	0.6
69.50899	1.7
69.51315	1.9
71.01382	12.6
72.99301	0.6
73.02956	3.6
79.01870	0.8
83.01389	2.4
85.02956	5.1
87.00884	1.0
89.02445	1.7
92.80775	0.5
95.01396	2.9
99.00865	1.5
100.63257	0.5
101.02451	7.4
103.72386	0.6
107.01396	4.7
111.00871	3.2
113.02451	4.3
121.02970	0.7
123.00888	18.1
124.01667	1.8
125.02445	16.7
127.00330	1.3
131.78329	0.5
136.98807	2.3
139.00389	7.6
139.07674	3.8
140.01169	3.6
141.01924	1.9
151.00369	12.8
153.01846	0.9
159.02986	0.8
161.04562	8.9
163.04030	0.7
163.59541	0.5
167.03502	0.8
168.00667	4.4
169.01427	22.1
170.01840	1.2
179.03384	0.7
195.10179	0.7
199.26790	0.5
211.02496	1.0
244.41499	0.6
253.03613	0.6
271.04547	0.9
303.02713	0.7
313.05594	1.3
357.15527	2.2
365.45108	0.5
417.13995	100.0
418.14337	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	417.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71434	0.5
55.01870	0.9
57.03436	0.8
58.00591	0.5
59.01378	29.1
65.67850	0.5
65.73496	0.5
67.01894	1.1
68.99857	0.5
69.03452	0.7
71.01380	13.2
72.99306	0.8
73.02934	2.4
79.01904	1.0
83.01380	2.6
85.02950	6.2
87.00883	1.5
89.02437	8.2
95.01377	3.5
96.96010	0.6
97.02940	1.4
98.19849	1.1
99.00864	1.3
100.73787	0.5
101.02447	8.9
101.06002	0.6
105.20860	0.6
107.01389	4.8
111.00870	3.1
113.02456	3.8
119.03512	2.7
121.02953	0.6
123.00883	15.9
124.01642	1.8
125.02448	18.8
127.00371	0.8
131.03552	0.8
136.08846	0.6
136.98778	1.8
137.02423	1.3
139.00374	6.4
139.03999	1.0
140.01233	3.5
141.01915	1.4
143.03528	0.7
146.33391	0.6
151.00362	12.5
151.03961	0.6
153.01968	0.6
154.39040	0.6
159.02960	0.8
161.04546	4.9
167.03442	1.7
168.00644	4.7
169.01404	20.1
170.01768	1.1
177.09166	1.8
179.05658	1.3
183.03091	0.6
191.05727	0.6
211.02367	1.1
254.03612	1.1
255.08759	0.9
271.04498	1.2
276.30658	0.6
305.06601	0.6
313.05698	1.9
332.22647	0.5
340.37463	0.5
357.15524	5.2
358.16010	0.8
417.13992	100.0
418.14355	12.7
433.53986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
55.31842	1.1
57.03437	2.1
59.01110	1.8
59.01380	32.5
65.00328	2.0
65.21568	1.1
67.01861	1.4
67.41422	1.3
71.01378	17.9
72.99308	2.0
73.02958	7.0
75.00849	1.5
81.03436	3.7
83.01373	4.4
85.02938	12.6
87.00863	2.3
89.02427	4.3
91.50294	1.2
95.01382	6.4
96.96009	2.8
97.02921	1.9
99.00865	2.2
99.74911	1.2
101.02448	11.4
101.18608	1.4
105.44476	1.2
109.02928	4.7
111.00860	2.4
113.02456	8.4
119.03513	2.0
121.02956	11.5
122.00079	1.9
123.00895	13.6
125.02438	6.4
127.00352	3.3
136.98785	3.0
137.02451	17.3
137.09706	1.8
139.00372	7.9
139.03995	2.4
153.01894	4.5
153.05583	15.8
155.03479	2.7
161.04594	8.2
165.09221	2.0
166.99826	3.6
168.00526	1.4
169.01387	2.2
181.01405	14.7
182.02232	12.0
183.02998	7.4
196.03732	1.8
197.04552	54.5
198.04884	1.8
225.04028	3.3
225.11401	1.6
281.06607	1.4
285.13382	4.7
357.15353	3.0
387.09518	4.3
402.11722	9.0
417.13934	100.0
418.14490	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	417.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77257	1.3
55.54610	1.3
57.03436	1.6
59.01377	30.0
67.12160	1.4
69.88098	7.2
71.01385	18.5
72.99322	1.8
73.02932	3.0
74.71980	1.3
81.03452	1.5
83.01382	1.7
85.02957	7.9
88.67999	1.2
89.02441	15.6
91.22222	1.3
93.03461	5.6
101.02438	13.2
103.61050	1.3
107.01399	7.1
109.67384	1.3
111.00896	4.5
113.02465	6.3
118.95127	1.4
119.03511	5.6
123.00882	13.7
124.01681	2.9
125.02451	43.9
127.00368	1.6
134.87263	1.5
136.98729	1.3
137.02451	17.1
139.00394	5.5
140.01152	7.2
151.00359	6.6
151.03993	1.6
167.03497	3.3
168.00638	19.0
169.01430	52.2
170.01743	1.6
179.03479	3.9
179.05627	4.0
207.10139	1.8
211.02493	67.2
212.02805	5.7
229.81009	1.4
239.05707	2.8
241.03653	2.1
265.09290	8.3
271.04587	100.0
272.04901	6.4
313.05664	1.7
331.06833	7.8
417.10226	48.2
417.14413	24.9
418.10736	5.7
418.14847	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03439	1.6
59.01379	32.7
59.27055	1.0
61.25732	1.3
61.98829	2.4
69.03439	1.6
70.04305	1.8
70.04709	3.3
71.01380	21.6
72.99303	2.8
73.02937	4.5
73.75512	1.2
75.00861	3.6
79.01898	1.7
81.03466	1.4
83.01373	3.7
85.02956	15.0
87.00871	3.8
89.02444	11.4
93.03421	1.6
95.01397	5.3
96.95988	5.9
97.02966	1.6
99.00872	3.3
99.04523	7.0
101.02442	12.2
103.03944	1.8
107.01390	5.4
108.02175	42.1
109.02969	20.3
110.03265	1.9
111.00883	5.6
113.02451	9.6
119.03503	5.2
120.01246	1.2
123.00883	20.0
123.04504	4.4
124.01651	4.3
125.02448	35.4
127.00347	2.0
128.70114	1.2
136.98775	2.8
137.02428	4.4
139.00386	8.8
140.01118	4.1
141.01880	2.0
149.02435	1.6
151.00342	11.2
151.04005	1.9
152.01149	83.4
153.01939	5.6
161.04607	2.6
163.04005	2.6
165.01929	1.6
167.03462	9.9
168.00645	12.4
169.01422	43.8
170.01738	2.8
179.05603	1.3
185.00826	1.1
207.66385	1.2
211.02477	23.3
211.13481	2.9
241.03706	1.4
241.07130	5.3
249.06140	3.0
264.61340	1.2
265.09247	2.6
267.07159	2.6
271.01788	2.6
271.04593	30.3
272.04898	3.3
285.06250	1.4
313.05667	2.8
331.06671	4.1
344.96329	1.2
387.09277	11.4
388.09674	1.9
399.09399	11.3
400.09869	1.4
417.10248	100.0
417.14536	34.7
418.09970	13.8
418.15222	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	417.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03449	1.5
59.01378	22.8
63.08540	0.7
69.03454	1.1
69.15332	3.6
69.15762	4.8
69.17547	0.8
69.36018	0.7
72.99290	1.3
73.02937	3.0
75.00865	1.3
79.52795	0.7
79.79475	0.8
85.02947	4.0
87.00867	2.3
87.40009	1.0
89.02444	2.9
93.03467	1.0
96.19746	0.8
96.96000	1.9
99.00850	1.2
101.02474	1.6
107.01388	1.4
107.05012	2.2
113.02458	2.9
119.03573	0.9
121.02979	0.9
123.00914	1.0
124.01677	1.5
125.02449	4.3
129.01973	1.0
130.08731	1.0
137.02423	2.0
149.06107	5.5
151.00385	4.0
159.04503	1.3
166.02669	3.9
166.06209	1.0
169.01379	1.5
177.01836	0.9
179.10738	2.5
181.05086	4.8
181.12381	1.8
183.04469	1.2
211.04012	2.0
223.13248	0.8
225.11345	1.0
225.14905	1.6
227.03484	69.8
227.12799	1.7
228.03806	5.1
229.05086	1.5
248.57593	0.8
255.02977	87.2
255.10153	7.3
256.03540	15.5
257.04404	1.2
269.13919	1.5
284.03247	78.4
285.03931	29.3
285.13464	2.5
286.04263	1.9
287.15021	2.8
293.09442	1.0
297.12253	0.8
299.18527	1.8
316.00305	1.0
327.05258	1.3
387.10760	1.1
387.82877	0.8
402.13184	1.0
417.08240	100.0
417.17197	2.8
417.21259	4.6
418.08542	13.0
418.13477	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
68.67515	2.3
68.93945	2.8
69.85653	5.7
69.86057	8.5
72.99306	12.5
73.02932	6.9
75.00868	88.1
93.80830	2.6
98.20603	4.8
115.45547	2.4
265.70255	3.1
351.65796	2.5
356.00992	2.8
375.77487	2.7
415.34204	100.0
416.34583	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	416.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03446	0.7
59.01384	6.5
61.98813	0.6
65.00294	0.5
67.01912	1.1
69.03440	1.0
69.46766	0.7
69.47166	2.9
71.01384	6.6
72.99297	1.5
73.02947	2.7
75.00876	0.4
79.01888	1.4
83.01386	2.3
85.02961	3.8
87.00874	1.3
89.02439	2.6
95.01396	3.5
96.96004	0.8
97.02956	0.9
98.19875	0.8
99.00864	1.2
100.04031	1.1
101.02440	4.9
102.05631	2.5
107.01392	6.5
108.02177	17.1
109.02957	7.6
110.00150	0.5
111.00889	3.0
112.01219	0.6
113.02494	2.7
119.03496	0.7
123.00890	18.0
123.04526	0.5
124.01668	1.8
125.02448	23.0
126.02775	0.8
127.00318	0.6
136.98808	1.6
139.00386	6.4
140.01178	4.6
141.01924	2.4
151.00369	12.9
151.03976	1.2
152.01151	27.6
152.70166	0.4
153.01915	1.4
153.09203	0.9
155.75285	0.5
161.04477	0.7
163.03981	1.3
165.05554	0.8
166.99881	0.9
167.03491	0.7
168.00658	4.2
169.01430	27.9
170.01740	1.0
181.05054	0.6
193.04948	0.7
195.06586	1.4
198.92336	0.6
211.02472	5.5
211.13423	1.4
241.07133	1.5
271.04605	8.2
309.44009	0.4
313.05664	2.0
331.06775	0.7
338.83505	0.5
416.11969	100.0
417.10196	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12455	0.7
59.01366	1.8
70.81509	0.7
71.53238	0.9
72.72788	0.8
74.31889	0.8
74.99106	6.4
77.00670	76.5
82.71475	0.9
96.96899	0.7
132.99080	0.7
147.08121	1.3
149.09775	2.0
163.11319	2.4
171.69826	0.7
187.11249	2.4
279.13852	1.4
279.27057	0.9
280.14777	1.2
296.82846	0.8
309.22305	2.3
322.19373	0.8
337.21729	100.0
338.22043	14.5
415.23050	11.1
416.23117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36105	11.4
59.01379	100.0
65.08645	10.1
69.22302	88.4
69.22713	26.0
86.15385	11.1
90.93283	12.3
120.07013	11.1
135.42662	11.3
160.23291	11.2
312.41867	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	415.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54295	0.2
57.01070	0.2
57.03441	0.2
59.01383	1.5
65.17474	0.2
71.01369	1.1
71.55564	0.4
73.02932	0.5
75.12701	0.2
79.95734	1.9
85.02958	0.8
87.00848	0.3
89.02444	0.3
95.95222	0.6
96.96009	100.0
97.95931	0.4
101.02456	0.3
111.00866	1.2
113.02460	0.7
124.61238	0.2
125.02454	1.1
128.03537	0.3
169.01416	0.9
173.00871	0.7
189.83858	0.2
235.10072	2.0
241.10760	0.3
242.43965	0.3
249.44722	0.2
253.11134	1.3
271.79333	0.3
415.16403	74.1
416.16681	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	415.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41736	1.1
55.01876	3.2
55.62172	0.9
57.03437	3.1
58.00592	4.0
59.01381	100.0
61.98804	1.0
67.70119	1.2
68.90604	1.0
69.03445	3.1
71.01387	78.4
72.99307	6.4
73.02959	8.7
75.00862	1.6
81.03464	1.7
83.01382	6.8
85.02953	16.0
87.00882	13.4
88.39554	1.0
89.02448	83.0
91.04019	1.4
91.37189	1.1
95.01407	6.0
96.96002	4.3
97.02966	10.4
98.20764	2.1
99.00922	5.6
99.01449	1.1
101.02446	65.9
111.00912	1.6
113.02456	28.5
119.03506	24.3
121.02952	1.4
125.02449	15.5
127.03991	1.4
131.03517	3.6
143.03510	9.6
149.04544	3.9
161.04565	11.2
179.05608	24.2
185.04567	2.1
221.06602	6.6
229.36697	1.3
235.08215	13.2
253.09399	5.7
263.07755	5.6
287.07742	1.5
305.08844	1.6
415.14575	89.1
416.14923	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	415.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.5
57.03444	2.7
58.00591	5.6
59.01379	100.0
60.01707	1.6
67.01910	0.6
69.03465	3.4
71.01381	73.5
71.55365	1.0
72.01730	1.3
72.99303	6.7
73.02950	7.7
73.44598	0.6
75.00881	1.4
76.16491	0.6
81.03468	2.8
83.01381	7.3
85.02948	17.8
86.03336	0.9
87.00875	15.0
89.02444	89.2
90.02785	2.2
91.04028	1.6
92.68205	0.6
95.01379	4.6
96.96000	0.9
97.02947	7.7
99.00877	3.2
101.02444	65.0
102.02787	0.8
103.00376	1.1
111.04478	0.7
113.02452	29.4
119.02646	1.5
119.03503	26.5
120.03889	0.7
121.02938	1.3
123.00827	0.8
124.01611	0.7
124.70651	0.6
124.76553	0.6
125.02448	14.1
127.03983	0.9
131.03481	4.3
139.04002	0.8
141.01962	0.7
143.03503	11.6
145.69333	0.7
149.04562	3.4
161.04553	13.5
167.03580	0.9
179.05611	25.6
180.05853	1.1
185.04543	1.9
203.05591	0.6
221.06638	5.7
235.06010	1.1
235.08228	12.7
253.09317	8.9
263.07745	4.8
268.56555	0.7
280.52426	0.7
287.07794	1.9
305.08743	2.6
323.09857	1.0
393.94016	0.7
415.14560	86.2
416.14859	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	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39400	1.0
55.01869	1.2
57.03461	1.2
59.01097	1.6
59.01378	17.0
59.99240	0.8
61.94580	0.9
67.01882	1.5
69.21756	1.8
69.22169	7.9
71.01379	10.1
72.99314	1.8
73.02934	2.4
75.00878	1.7
79.01894	2.0
83.01378	2.5
85.02947	4.3
87.00864	2.6
89.02428	3.5
95.01372	3.0
95.29325	0.8
96.74848	0.9
96.95995	3.7
97.02952	1.3
99.00842	1.3
100.36604	1.1
101.02441	6.3
107.01400	7.6
111.00867	6.5
113.02486	4.6
121.06561	0.8
123.00887	18.3
124.01678	3.0
125.02446	44.1
126.02779	1.8
127.00362	2.3
128.46877	0.8
131.87369	0.9
136.98737	2.7
137.02452	2.6
139.00374	10.3
140.01132	7.4
141.01923	1.5
149.06036	1.1
151.00357	13.8
163.03995	1.6
164.04860	1.1
165.01898	1.7
165.05554	1.0
167.00092	1.1
168.00639	14.4
169.01430	54.9
170.01746	2.4
179.03506	1.3
179.07089	2.9
191.03452	1.1
210.66652	1.1
211.02483	52.5
212.02815	2.7
241.03502	1.9
241.10957	1.0
249.06213	1.5
271.04578	100.0
272.04895	7.3
281.17307	0.9
313.05606	2.7
331.06668	12.7
415.12396	98.1
416.12714	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	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
57.03436	0.7
57.32112	0.6
59.01379	7.4
59.80907	0.6
61.98812	0.6
67.01879	1.0
68.99803	0.6
69.58092	4.1
71.01384	7.6
72.99294	0.9
73.02931	2.5
75.00870	1.2
79.01871	0.9
80.33356	0.5
83.01373	1.3
83.42561	0.5
85.02945	5.4
87.00867	1.9
89.02434	1.4
93.96270	0.5
95.01369	2.4
96.95979	1.9
97.02937	1.0
98.19906	1.3
99.00868	2.0
101.02462	4.1
101.06054	0.7
107.01375	5.3
109.02918	0.6
111.00855	2.1
113.02456	3.5
123.00886	16.3
124.01664	1.4
125.02444	22.9
127.00359	2.1
136.98799	2.0
137.02415	1.3
139.00363	6.0
140.01134	4.0
141.01955	1.6
151.00369	12.2
153.01765	0.6
161.04546	0.6
163.04013	1.2
166.02849	0.6
167.03485	1.2
168.00633	5.2
169.01416	33.6
170.01732	1.2
177.01784	0.8
177.03995	2.4
179.03442	1.1
197.11919	1.0
211.02446	8.5
223.05937	0.6
241.03398	0.8
267.07196	1.0
268.07367	0.7
269.07721	1.0
271.01776	1.2
271.04562	15.7
272.04987	1.3
313.05627	2.3
331.06708	1.6
385.11249	1.8
415.12378	100.0
416.12695	11.7
423.46378	0.6
438.13144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
57.03436	0.7
57.32112	0.6
59.01379	7.4
59.80907	0.6
61.98812	0.6
67.01879	1.0
68.99803	0.6
69.58092	4.1
71.01384	7.6
72.99294	0.9
73.02931	2.5
75.00870	1.2
79.01871	0.9
80.33356	0.5
83.01373	1.3
83.42561	0.5
85.02945	5.4
87.00867	1.9
89.02434	1.4
93.96270	0.5
95.01369	2.4
96.95979	1.9
97.02937	1.0
98.19906	1.3
99.00868	2.0
101.02462	4.1
101.06054	0.7
107.01375	5.3
109.02918	0.6
111.00855	2.1
113.02456	3.5
123.00886	16.3
124.01664	1.4
125.02444	22.9
127.00359	2.1
136.98799	2.0
137.02415	1.3
139.00363	6.0
140.01134	4.0
141.01955	1.6
151.00369	12.2
153.01765	0.6
161.04546	0.6
163.04013	1.2
166.02849	0.6
167.03485	1.2
168.00633	5.2
169.01416	33.6
170.01732	1.2
177.01784	0.8
177.03995	2.4
179.03442	1.1
197.11919	1.0
211.02446	8.5
223.05937	0.6
241.03398	0.8
267.07196	1.0
268.07367	0.7
269.07721	1.0
271.01776	1.2
271.04562	15.7
272.04987	1.3
313.05627	2.3
331.06708	1.6
385.11249	1.8
415.12378	100.0
416.12695	11.7
423.46378	0.6
438.13144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
62.56594	3.1
69.87416	9.0
69.87808	7.0
71.01397	3.1
72.22534	3.0
73.89183	3.3
74.09026	2.8
126.85052	3.1
130.65871	3.0
143.31975	3.2
210.83469	3.8
227.84200	3.2
397.63641	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11188	5.8
59.01383	100.0
59.74249	6.4
70.12253	10.1
71.98343	5.9
92.75312	6.4
201.35164	6.8
234.62553	6.5
242.13382	6.4
381.33414	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	414.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11721	0.4
58.61026	0.4
59.01385	2.9
71.01375	7.8
71.70314	0.4
77.32255	0.4
85.02959	1.3
88.04057	1.2
89.02443	2.4
91.01887	0.6
93.03456	8.8
93.04012	0.6
94.03780	0.4
94.48438	0.4
96.96024	0.5
101.02440	1.6
108.93494	0.4
111.00848	0.8
113.02454	1.1
114.02002	0.7
115.00375	11.5
118.02991	9.0
119.03439	1.1
121.02922	0.7
123.00896	0.5
125.02472	0.7
132.03056	0.9
136.04042	100.0
137.02451	4.9
137.04382	3.8
139.53825	0.4
146.06148	2.0
149.02478	0.5
164.07141	5.2
169.01424	1.3
173.04564	0.4
179.05640	0.8
190.05022	1.1
190.06483	0.8
205.08716	1.4
208.06151	9.1
209.06444	0.8
211.02524	0.5
234.04065	1.7
252.05121	12.1
253.05460	1.0
271.04514	1.0
298.09232	0.5
299.07724	0.5
375.64621	0.4
396.09451	0.7
414.10406	27.2
415.11111	3.8
426.84918	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00639	0.4
57.03446	0.9
59.01382	29.8
61.98820	1.1
71.01394	2.2
72.99299	1.1
73.02937	0.8
75.00890	0.4
79.95744	1.6
83.05016	0.8
85.02951	1.9
87.00856	0.7
87.11552	0.4
89.02456	1.4
96.96012	100.0
98.19870	1.0
99.00886	0.4
101.02452	1.1
102.84272	0.4
107.01383	0.9
111.00934	0.5
111.08139	0.5
113.02434	1.5
113.06093	0.5
117.03446	1.7
119.05056	0.8
125.02438	3.4
125.09755	0.5
126.50863	0.4
133.90857	0.5
135.03043	0.4
137.02475	0.5
139.00374	0.5
143.10793	0.6
145.02951	7.7
147.04521	0.6
149.02493	2.5
153.01927	0.7
163.03996	0.7
164.04779	1.5
169.01404	3.3
179.03389	0.5
179.07112	0.7
185.11887	0.6
191.05634	1.0
195.13908	3.4
207.04991	1.2
207.06676	1.3
211.17027	1.5
223.06204	2.9
229.14496	0.7
235.06148	1.5
250.08366	1.1
251.09276	1.3
253.18175	1.3
255.16100	2.0
271.04614	0.5
271.19064	4.0
273.17105	9.5
274.17612	0.9
289.14868	1.4
291.12863	1.7
293.10754	0.6
297.17151	0.6
313.05753	0.5
315.18094	4.4
333.19171	23.3
334.19601	2.2
337.09439	2.3
351.14923	2.5
353.12640	3.1
413.14886	74.6
414.15189	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	413.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05130	0.7
55.01865	1.0
56.80373	0.7
57.03446	1.3
58.00589	1.1
59.01381	32.1
65.48921	0.6
67.01891	1.0
69.03445	1.5
69.48540	5.3
71.01391	8.7
72.36808	0.7
72.99297	1.9
73.02930	2.9
75.00879	1.1
75.86107	0.6
83.01392	3.2
85.02956	3.9
87.00883	1.1
87.02834	0.6
89.02440	4.5
90.34038	0.7
93.03460	3.0
95.01378	2.5
96.95987	3.5
97.02940	0.9
99.00907	2.3
101.02451	6.5
107.01372	4.0
110.00079	0.8
111.00898	3.6
113.02444	4.4
119.03521	0.7
119.04962	1.2
121.02979	2.1
123.00888	17.0
125.02453	22.3
126.02802	1.4
127.00362	1.0
135.04568	1.3
136.98814	2.3
137.02415	3.6
139.00345	5.9
140.01163	4.8
141.01924	2.5
149.02490	0.7
151.00368	11.9
161.04623	0.7
167.03380	0.9
168.00632	4.6
169.01434	24.2
170.01813	1.1
201.14998	1.1
211.02478	2.5
251.16487	1.7
271.04672	1.6
313.05692	1.6
337.07370	1.3
412.61066	4.5
413.14545	100.0
414.14896	12.4
432.31616	0.8
438.33298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28687	0.5
55.01876	0.9
57.03439	0.6
59.01383	5.2
67.01887	0.8
68.99805	0.5
69.03445	0.6
69.30154	0.7
69.30558	3.7
71.01385	5.6
72.99319	0.6
73.02941	2.1
75.00864	0.5
78.95918	2.6
79.01891	0.9
83.01390	2.0
84.37113	0.5
85.02948	3.3
89.02475	0.6
91.65760	0.4
95.01384	2.2
96.95998	1.4
97.02945	0.5
98.19913	0.9
99.00914	0.6
99.04544	0.9
101.02455	4.0
107.01395	2.5
111.00888	3.0
113.02428	1.3
121.02979	0.8
123.00885	13.0
124.01724	0.8
125.02445	13.9
126.02816	0.8
127.00360	1.5
136.98805	1.5
137.02448	0.6
139.00377	6.0
140.01190	4.2
141.01933	1.9
143.03436	0.8
151.00371	12.0
151.03978	0.6
152.99586	3.3
153.01968	0.9
163.03960	0.7
168.00635	5.4
169.01427	19.7
170.01817	1.1
184.60316	0.5
219.01685	0.5
234.12726	0.5
279.92798	0.6
313.05331	1.2
381.13412	0.6
413.14517	100.0
414.14853	12.6
435.49777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03444	0.6
59.01158	0.5
59.01387	6.3
63.31494	0.4
67.01894	0.6
71.01384	5.0
71.32764	0.4
71.54902	0.6
73.02952	2.4
75.00888	0.4
77.90800	0.4
78.95906	2.9
79.01896	1.1
83.01392	1.7
85.02961	3.1
86.00085	0.5
89.02448	1.0
95.01389	1.9
96.96009	1.5
98.08313	0.4
99.00865	1.1
101.02451	4.0
102.88003	0.5
107.01417	3.4
111.00877	3.2
113.02444	2.3
119.05048	0.5
121.02965	0.9
122.99981	0.9
123.00881	15.5
124.01706	1.1
125.02460	14.2
127.00343	1.1
130.25769	0.4
136.98816	1.5
139.00378	6.3
140.01176	4.5
141.01915	1.1
143.03526	1.0
151.00372	14.5
152.00774	0.5
152.99597	4.4
153.01884	0.7
161.02376	1.0
167.98560	0.6
168.00632	5.7
169.01433	17.8
170.01765	0.9
181.05090	0.5
184.39868	0.5
203.99442	0.5
207.06596	0.5
211.02605	0.9
261.52542	0.6
271.04910	0.6
271.82645	0.5
313.05511	1.0
322.77551	0.4
381.13019	0.7
413.14526	100.0
414.14893	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.3
57.44333	1.1
59.01374	11.8
69.03470	1.9
69.14713	1.3
69.50892	2.3
69.51290	6.4
71.01389	10.5
72.99299	1.2
73.02943	1.3
78.95904	9.2
83.01396	2.7
83.33753	1.1
85.02951	2.7
87.00874	1.4
89.02445	2.2
90.39693	1.0
92.96014	1.1
93.03477	1.5
95.01384	1.4
96.96019	3.5
96.96984	1.1
97.02959	1.8
99.00884	2.0
99.04549	2.0
101.02441	3.3
107.01377	11.4
111.00895	3.0
113.02442	4.0
119.04306	1.2
119.05016	5.7
123.00879	8.8
123.04591	1.3
124.01665	2.0
125.02451	70.8
126.02784	3.0
132.02167	2.5
133.03009	1.3
134.03743	2.6
135.04468	1.7
136.98828	1.5
137.02463	1.7
138.27138	1.1
139.00365	4.6
139.04106	1.4
140.01134	3.9
151.00339	8.4
152.99580	17.2
160.01645	10.9
161.02463	5.3
165.01955	1.7
165.05544	1.7
167.07184	1.2
168.00697	6.8
169.01427	100.0
170.01802	3.2
175.03992	14.4
183.03108	1.3
193.05029	2.5
211.02502	23.0
212.02847	1.6
232.03181	1.6
241.03487	5.1
271.04593	43.3
272.04968	1.4
313.05640	47.4
314.06009	3.7
315.56711	1.8
331.06747	5.9
381.13007	2.4
390.09509	5.5
396.09534	1.9
413.10803	55.2
413.14664	10.8
414.10846	8.5
414.15823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45509	0.6
50.51661	0.6
52.45427	0.6
52.79412	0.6
55.01900	0.9
55.91106	0.6
57.03476	2.1
58.00625	0.8
59.01099	0.9
59.01378	19.3
61.98866	1.0
67.01931	1.3
68.78655	0.6
68.99845	1.8
69.03487	2.3
69.77048	3.0
71.01385	23.9
72.99302	4.2
73.02995	2.0
75.00875	15.4
83.01402	1.6
83.04975	0.6
85.02952	22.7
86.03318	1.1
87.00883	9.2
87.01357	0.8
89.02439	8.0
91.04045	1.1
93.03491	2.2
95.01389	4.9
96.96011	3.1
97.02954	0.8
99.00878	10.3
101.02447	1.4
103.00428	2.3
111.00924	2.3
113.02447	31.9
115.00423	2.0
117.02002	2.6
117.03449	5.3
119.05027	39.1
120.05407	1.7
125.02510	2.5
126.01991	0.7
129.01979	2.1
131.03529	1.1
137.02451	1.5
145.02950	20.2
149.02510	1.0
157.01404	0.9
163.04008	36.5
164.04420	2.2
168.00584	0.6
169.01434	1.7
173.04584	1.3
175.02477	2.2
191.05635	1.3
199.19058	0.7
207.04951	1.3
231.05147	1.8
237.07675	3.3
249.06142	24.7
250.06544	1.4
267.07199	100.0
268.07529	7.3
351.10730	1.0
369.11749	1.0
413.10754	48.1
414.11060	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	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96055	0.8
57.03436	1.4
57.38757	0.8
59.01101	1.4
59.01380	18.8
62.40024	0.9
67.01891	1.3
69.15973	3.0
69.16384	6.8
71.01374	6.8
72.99297	1.8
73.02937	1.9
75.00867	1.9
79.01898	1.4
83.01383	2.4
85.02944	6.1
87.00866	1.2
89.02459	3.5
95.01381	1.8
96.96009	44.2
97.02944	1.5
98.13744	0.9
99.00858	2.2
99.04553	2.4
101.02444	5.1
103.04017	2.4
105.35043	0.9
107.01384	12.2
109.02931	1.2
111.00880	3.3
113.02435	5.9
117.42961	0.9
119.05023	1.1
123.00879	10.3
124.01713	1.5
125.02447	74.5
126.02791	2.3
129.01912	1.7
136.98798	1.4
137.02449	1.1
139.00395	4.9
140.01132	2.9
141.01932	1.9
145.02937	2.4
147.03000	0.9
149.02437	1.7
151.00354	13.3
153.01927	2.7
161.02469	1.9
163.03989	1.2
168.00708	4.6
169.01425	100.0
170.01743	3.9
179.03619	1.0
186.46088	0.9
207.05031	2.0
211.02524	1.2
251.05640	1.0
251.09061	1.0
271.04410	1.1
271.19211	1.6
273.17075	4.7
291.12424	1.1
313.05640	77.8
314.05960	6.2
315.17871	1.0
331.06735	1.6
333.19122	10.8
351.14941	1.2
353.12662	1.2
369.15356	1.1
413.10727	35.1
413.14993	23.0
414.11151	4.2
414.15710	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	413.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
57.03432	2.7
59.01106	1.1
59.01379	18.6
61.98836	1.7
68.99798	1.2
69.03439	2.7
69.89215	4.3
71.01006	1.3
71.01379	22.1
72.99298	4.0
73.02934	2.6
75.00873	14.1
82.02943	1.0
83.01359	2.2
84.00932	0.9
85.02446	1.4
85.02951	23.8
85.03458	1.6
87.00872	8.1
89.02435	6.3
91.03993	1.0
91.52143	0.8
93.03458	2.5
94.51901	0.7
95.01392	4.9
96.96003	4.1
97.02949	1.3
99.00875	9.7
101.02412	1.4
103.00338	2.0
109.02959	1.0
111.00875	1.9
113.02452	29.6
113.03243	1.5
115.00340	1.4
117.01936	2.3
117.03444	3.2
119.05021	39.2
120.05336	1.5
122.02463	0.9
125.02403	3.3
129.01913	2.8
137.02399	2.7
139.00279	0.9
145.01897	1.3
145.02953	21.5
146.03308	1.0
149.02419	1.0
151.00319	1.0
157.01462	1.1
163.03998	34.0
164.04378	2.2
169.01372	1.8
173.04573	1.7
175.02455	2.5
189.03990	0.9
191.05539	0.9
195.02666	0.8
207.05042	1.7
209.04112	0.8
222.10789	0.8
222.23344	0.7
237.07568	2.9
239.01254	0.8
249.06137	24.1
250.06374	1.4
267.07190	100.0
268.07611	7.0
268.10098	1.5
351.11023	1.2
369.11597	1.2
413.10718	49.2
414.11154	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60585	2.4
52.62427	2.6
59.01381	100.0
59.62749	2.4
71.53050	3.4
78.95875	3.4
89.95088	2.4
96.84024	2.3
101.29959	2.7
117.01982	2.9
159.07217	2.5
161.06888	2.3
192.75838	2.4
270.98361	2.4
413.32022	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	413.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46970	0.4
59.01379	3.0
61.98836	1.0
65.00323	0.5
65.03959	3.3
69.03489	0.4
69.68188	2.3
71.01411	1.0
72.99315	0.5
78.95921	0.8
79.05554	0.6
85.02979	0.7
89.02433	0.6
91.05534	1.8
93.03466	1.1
96.95993	1.0
96.96983	1.5
97.02943	0.4
98.19937	0.4
98.95598	0.9
99.00922	0.6
105.03480	0.5
107.01405	1.2
107.04422	0.6
107.05006	2.9
109.02992	0.6
117.03466	5.8
119.05042	4.0
121.02986	1.1
123.04547	1.2
125.02471	2.2
133.02968	0.8
135.04520	24.7
136.04047	2.5
136.04939	0.8
137.02428	0.9
139.03984	0.5
145.02946	12.6
146.03304	1.1
146.22400	0.6
151.00407	0.9
151.03987	3.1
161.02460	1.8
162.03218	2.6
163.00366	0.6
163.04007	24.8
164.01170	1.0
164.04390	1.8
165.01953	0.7
169.01443	1.7
177.01903	0.8
178.02654	0.6
179.03482	10.7
180.03915	0.6
189.01988	0.5
191.05663	0.5
192.00650	1.9
192.61792	0.5
206.02206	1.3
206.99341	0.6
207.02982	18.6
208.00050	0.7
208.03340	1.1
250.01173	1.7
251.01947	100.0
252.02313	6.6
413.07159	18.5
413.15771	1.1
414.07010	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	411.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
57.03445	5.7
58.00608	1.1
59.01382	14.1
61.98582	1.2
61.98832	12.7
62.85839	0.8
63.75236	0.9
64.92255	0.9
66.88969	1.2
68.99809	1.3
69.03440	1.0
71.01004	1.6
71.01379	25.5
71.51854	1.1
72.30352	0.8
72.99297	5.5
73.02966	5.3
75.00870	29.4
78.95894	2.9
83.01392	4.1
85.02946	32.1
86.03337	1.1
87.00881	8.8
87.64883	1.1
89.02431	3.1
95.01381	4.4
96.86761	1.0
96.95997	4.2
96.96956	3.6
97.02930	1.3
99.00886	10.3
99.25598	1.0
101.02428	10.1
110.02406	1.6
111.00883	1.3
113.02445	29.3
114.02823	1.1
115.00381	2.3
117.01923	1.5
118.05108	1.0
120.01289	1.3
125.02427	4.2
129.02002	1.5
136.14217	0.9
137.02452	1.5
161.04617	1.8
169.01376	3.6
175.02457	3.2
191.05557	1.3
199.01892	1.7
201.25826	1.2
204.44594	1.0
215.96292	1.0
235.11885	4.3
241.00214	1.7
249.06097	1.6
411.15036	100.0
412.15320	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	411.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.9
57.18958	0.9
59.01371	2.3
75.00849	0.8
117.01884	1.7
172.72899	0.6
179.14404	1.4
182.57721	0.6
195.13885	9.3
196.14323	1.5
205.12419	1.2
223.13336	8.1
228.13641	0.9
256.13116	2.3
257.48981	0.7
270.82840	0.7
275.20160	5.3
293.21225	100.0
294.21570	11.9
411.23752	5.5
412.24402	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1267
Annotation	t(6)a
Peak:m/z	Relative Intensity
59.01378	2.2
61.98818	0.9
64.90966	0.6
69.70576	1.3
69.70987	2.5
71.01392	0.7
72.00909	29.1
74.02473	18.8
74.17786	0.6
85.02934	0.7
87.00879	0.7
88.80899	0.7
98.76278	0.7
100.00405	21.4
100.04036	2.0
118.05107	100.0
119.05471	2.0
125.02430	1.2
135.04524	1.9
143.45938	0.7
144.03026	21.4
154.05138	0.9
160.02681	4.7
169.01424	1.4
170.06105	0.9
191.05617	1.4
208.74060	0.7
410.69922	0.8
411.13641	1.1
438.36673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83797	2.1
55.01833	2.5
57.03428	6.1
58.00584	1.9
59.01377	50.7
61.98825	12.5
68.99806	2.6
71.01379	30.9
71.54062	3.5
72.99292	5.8
73.02938	3.3
75.00874	20.7
78.95881	2.4
81.03446	3.8
83.01364	4.3
85.02947	28.0
87.00844	7.9
89.02447	9.1
95.01364	5.3
96.96014	10.0
98.20011	1.9
98.95577	3.7
99.00887	15.7
99.03978	2.4
99.04518	23.2
100.82084	2.0
101.02442	33.3
103.00345	3.5
112.98608	2.5
113.01731	3.3
113.02447	40.2
117.01954	4.4
122.03709	2.7
125.02377	5.7
129.01917	2.0
143.03433	5.2
161.04532	10.6
167.34283	1.8
169.01369	8.5
175.02408	2.6
231.04996	2.2
241.00159	2.7
249.03772	2.8
249.06140	38.7
250.06563	2.0
267.07169	31.1
268.07559	2.9
309.08261	22.9
331.06757	4.6
375.09076	2.6
393.10449	27.5
394.10410	4.0
411.03879	4.3
411.04706	3.2
411.11203	100.0
412.11441	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	411.0238
Annotation	Turgorin
Peak:m/z	Relative Intensity
53.17001	0.5
55.05516	0.6
57.03431	1.1
57.97544	0.7
59.01369	4.5
61.98829	2.8
62.75501	0.6
62.75823	0.6
62.92446	0.6
70.16125	0.6
71.01378	6.4
71.02209	1.4
72.99307	1.4
73.02942	1.4
75.00868	5.2
79.95731	3.9
80.96515	3.4
83.01381	1.1
84.14410	0.6
85.02951	3.7
87.00858	2.3
89.02464	1.0
95.01412	0.7
96.96008	100.0
97.02911	0.8
98.00661	0.7
98.95589	2.1
99.00883	2.4
101.02436	2.7
108.02203	0.7
111.31940	0.6
113.02468	4.7
118.05132	0.7
121.70686	0.7
122.97620	0.8
125.02441	16.1
126.02779	0.7
126.31315	0.6
138.97083	9.3
150.97044	1.2
161.04552	0.7
164.98538	0.8
165.05521	1.6
167.03448	1.4
168.00626	0.7
168.98166	0.9
169.01416	25.2
170.01799	1.2
175.02509	0.6
222.99197	2.3
241.00223	63.6
242.00462	2.5
243.00012	0.7
267.07272	0.9
331.06607	2.6
411.02341	44.8
411.14908	10.0
412.02808	2.9
412.15344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2359
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
55.84890	0.5
57.34068	0.5
69.46352	3.6
78.95901	73.2
89.97674	0.6
95.51044	0.5
96.96961	5.7
97.14103	0.4
118.15518	0.5
150.98009	1.7
152.99580	100.0
153.99930	2.1
171.00623	3.0
187.02432	0.5
203.08867	0.6
255.23320	2.5
300.70016	0.6
409.23517	13.5
409.28412	0.9
410.24121	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38655	1.2
55.01874	1.5
57.03442	1.7
59.01376	16.8
61.98824	14.8
70.94781	2.4
70.95107	1.4
71.01388	9.0
72.99312	2.5
73.02962	1.9
74.99097	53.5
75.00869	1.5
79.95729	16.9
80.96509	1.7
83.01405	2.0
83.95791	1.3
85.02965	4.5
87.00869	2.3
87.74824	1.3
88.04028	2.8
89.02399	3.1
93.03496	1.6
95.01398	2.0
95.59907	1.2
95.94614	1.4
95.95233	48.8
96.96010	100.0
98.19831	1.5
101.02468	6.2
113.02446	4.2
119.03500	1.4
122.03723	3.0
123.00898	5.1
124.01669	1.6
125.02460	8.4
135.86871	1.2
137.02469	1.8
139.00420	1.7
140.01144	1.6
149.02440	11.0
150.03229	15.7
151.00363	4.4
164.04784	1.7
165.05557	23.3
166.03313	2.5
169.01346	8.2
171.03014	1.6
185.51743	1.4
195.03369	2.9
195.06616	4.6
213.07736	1.7
259.01227	2.4
274.99014	1.6
276.04416	1.4
281.07156	1.5
286.08401	1.8
291.18063	1.5
301.10815	4.0
302.59174	1.5
345.08224	43.4
346.08606	4.4
361.12805	7.9
381.21896	1.4
408.04239	42.9
408.18826	5.5
409.04517	5.6
409.13666	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	408.0425
Annotation	Glucotropaeolin
Peak:m/z	Relative Intensity
52.30368	0.6
57.97573	0.7
59.01370	5.3
60.40363	0.7
60.92083	0.6
61.98827	2.3
64.97004	0.7
69.32139	1.0
69.32545	4.0
71.01365	3.1
74.99097	45.1
75.99426	0.6
79.95743	14.0
80.96526	3.0
84.30348	0.7
85.02959	2.2
89.02441	1.0
95.95231	53.9
96.96009	100.0
101.02457	1.4
113.02392	1.0
119.03559	0.7
122.03731	0.7
127.92507	0.6
135.04489	0.7
138.97034	0.7
149.02431	3.3
150.03242	5.7
154.88123	0.6
155.93909	0.6
159.15184	0.6
164.04747	0.9
165.05560	10.1
166.03360	2.1
169.01472	1.4
195.03316	2.0
195.06627	2.4
212.00204	1.2
241.00259	1.0
258.07538	0.7
259.01297	2.5
266.92285	0.7
274.99103	1.8
285.07727	0.7
301.10852	1.0
313.72360	0.7
319.83713	0.7
352.99887	0.6
361.12946	3.8
408.04272	41.7
409.04367	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	407.2202
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
57.38714	1.3
59.01383	3.3
61.51184	1.3
69.17506	1.4
69.65134	1.3
71.54919	1.9
78.95903	100.0
95.06449	1.5
96.96018	2.0
96.96958	8.6
125.84106	1.4
136.99519	1.7
152.99585	86.0
153.99928	2.2
171.00636	59.5
175.63649	1.6
188.05170	1.6
325.18390	2.1
407.21893	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	10.6
58.00582	0.9
59.01382	9.7
64.92885	0.5
69.03447	1.1
71.01377	4.3
71.05009	0.7
72.99324	0.6
73.02941	3.6
83.05040	0.8
85.02947	5.1
85.06592	3.9
87.00878	11.2
87.04504	3.8
89.02451	3.3
95.04988	0.5
96.96020	5.3
97.02955	0.5
97.06575	2.5
101.02438	3.7
101.06077	0.7
103.04018	1.2
105.05550	0.5
109.06596	1.1
111.08155	1.6
113.02471	1.1
113.09706	0.8
115.07673	3.8
115.93865	0.5
116.07137	1.0
119.03459	1.2
123.08167	6.2
125.09743	1.0
127.11296	0.7
135.08150	1.7
137.09709	2.2
139.07634	0.8
139.11293	1.9
141.09216	2.8
142.21486	0.5
143.03546	0.9
144.07893	2.2
149.09732	1.0
149.75085	0.5
151.04027	0.6
151.11237	0.7
153.09216	3.5
154.09521	0.5
155.10773	2.4
156.11166	0.5
157.12347	0.6
163.06087	1.9
167.10713	1.0
169.01439	0.5
169.12305	2.2
171.10251	2.8
173.11774	1.3
179.05347	0.6
184.10956	0.9
187.13365	4.0
199.13210	0.5
205.07167	0.8
209.42270	0.6
214.02625	0.6
216.13617	1.5
217.14311	2.3
231.15982	0.8
235.65886	0.5
245.13878	0.9
259.14441	0.5
267.19595	0.6
277.63055	0.5
303.21768	8.9
304.22049	1.1
327.20096	0.8
343.24924	1.5
359.14734	0.6
389.25436	37.0
390.25696	4.6
402.99234	0.5
407.26474	100.0
408.26822	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	407.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	70.7
60.21870	28.1
61.98824	67.5
67.52728	26.5
70.29630	25.3
71.54447	27.3
72.49104	29.1
79.95763	39.6
90.66357	27.7
96.96016	100.0
125.29518	28.4
167.03552	26.5
169.01463	36.3
171.10231	50.5
240.45940	27.4
321.93674	32.0
407.20880	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	55.4
69.33587	100.0
71.01368	28.1
77.12123	11.6
89.02466	14.5
92.25494	13.4
96.96005	19.0
101.02421	17.4
109.02921	13.1
109.64094	12.2
123.00919	18.4
125.02422	56.6
138.03236	15.3
151.00403	16.7
161.02454	19.8
167.03471	17.6
169.01433	90.6
177.01895	25.2
186.80641	12.3
220.60138	14.3
357.06042	13.5
407.17941	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	407.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91082	1.9
59.01380	16.0
68.99811	6.0
69.15582	16.7
70.50480	1.6
71.01396	3.5
73.02946	2.5
82.02999	10.1
85.02991	2.8
89.02433	2.0
92.02075	1.9
96.95992	2.6
98.19904	3.6
101.02451	14.0
112.03011	1.7
113.02467	3.0
125.02440	6.8
141.29613	1.9
160.07617	4.6
162.04366	2.6
164.03534	6.2
174.05667	2.3
188.07106	3.2
196.06215	2.8
204.03073	2.9
213.04095	2.0
215.04517	3.5
216.05084	4.9
216.06862	3.7
216.10231	4.1
217.02512	6.5
217.06155	11.4
218.06834	3.2
228.06696	3.0
229.06052	9.9
230.03297	4.2
230.06857	4.1
231.07634	12.8
232.08539	5.7
241.06184	4.2
242.03230	2.3
243.04044	19.2
243.07733	7.1
244.04889	15.1
244.09772	15.2
245.09355	6.2
248.09300	3.2
254.06795	3.1
256.04785	8.1
257.05661	16.1
258.06342	7.5
259.07193	42.7
259.10788	7.1
260.07266	2.2
261.08908	2.1
269.09503	2.1
271.07233	25.0
273.08798	5.0
277.95987	1.8
285.08704	5.2
287.10367	80.5
288.08487	5.7
288.11060	4.0
291.09848	14.4
304.10403	2.0
313.08289	100.0
314.08591	10.5
329.02487	1.9
331.09335	60.9
332.09622	6.3
332.13470	2.1
343.09506	2.8
345.10681	5.7
357.07135	2.6
375.08224	18.2
376.08530	2.6
389.09824	4.0
407.10910	52.9
408.11249	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	406.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
58.02975	14.8
59.01378	16.1
61.98820	5.2
64.92595	2.0
71.01380	9.0
73.02954	2.4
74.02465	28.3
82.02976	4.0
85.02936	3.7
86.02493	11.7
87.05641	6.8
89.02451	3.3
91.91950	1.8
96.04539	2.4
97.04078	2.4
98.20653	6.5
99.05641	21.9
101.02435	4.1
101.07166	3.8
102.05618	3.8
109.04063	5.2
109.07711	2.3
112.04033	4.1
118.83432	1.8
123.05652	1.8
124.04082	1.9
125.03566	3.1
127.05126	4.7
128.03539	70.9
129.03856	4.5
132.10844	2.0
133.06932	17.6
135.05641	7.5
137.07199	2.3
141.06606	4.5
143.04617	100.0
144.04941	4.7
145.06178	2.7
146.04581	11.9
151.04004	2.9
153.06650	3.0
155.08098	2.3
166.09775	3.1
167.04636	3.1
167.08257	5.0
169.01367	2.7
170.03287	3.3
179.04608	25.7
181.06129	2.4
185.05617	2.9
192.07866	3.9
197.05676	4.8
210.08839	24.7
254.07799	49.5
255.08054	4.0
272.08878	50.0
273.09171	3.8
277.12280	7.3
286.93384	2.2
308.07513	7.2
388.15497	9.3
406.16446	58.8
406.21637	22.5
407.16577	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	406.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13894	2.2
56.83836	2.2
59.01380	11.4
61.98830	15.5
63.15705	2.2
69.03466	3.6
69.47643	9.1
69.48068	8.1
71.01398	8.0
74.11470	2.6
76.95423	2.5
78.95899	5.1
85.02948	7.2
87.00876	9.5
89.02447	4.8
89.03504	2.3
93.03477	12.8
96.95995	4.4
96.96951	2.8
97.02972	2.9
99.00912	2.8
99.04512	3.9
101.02480	3.1
107.01390	3.1
111.04520	3.2
113.02445	5.9
125.02448	43.4
137.02460	4.1
155.03516	3.3
169.01413	100.0
170.01796	7.9
173.04558	21.9
183.26859	2.8
191.05618	16.7
241.05112	5.3
256.07379	3.5
267.07211	3.9
271.09802	6.8
309.11966	4.9
343.06683	73.7
344.07004	7.6
406.10287	5.3
407.12024	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	406.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	27.8
61.98838	16.7
69.42512	29.0
71.01383	14.1
85.02961	10.8
87.00874	11.3
89.02454	9.9
93.03461	7.3
96.96957	6.0
99.04526	6.5
107.01373	4.6
111.00829	3.7
113.02441	12.0
114.05585	5.2
119.03527	5.2
123.00922	7.2
125.02449	46.1
126.02807	3.7
129.01863	3.5
137.02402	4.6
155.03479	6.4
161.04388	4.7
167.75957	4.0
169.01413	100.0
169.62175	3.6
170.01802	9.3
173.04515	20.4
180.81158	3.5
191.05634	25.4
200.06833	3.8
241.05052	8.1
249.05885	3.7
256.07404	3.8
271.09680	9.9
319.11667	4.6
343.06653	63.6
344.06946	10.2
406.10541	29.8
407.12030	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	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.7
58.00594	5.4
59.01383	75.8
61.98839	3.4
70.02032	10.7
71.01386	48.3
72.25569	1.9
73.02947	7.9
78.07404	2.2
78.33017	2.0
79.05540	30.1
80.94741	2.0
81.03458	14.1
83.01376	4.8
83.05030	4.3
83.19490	2.0
85.02956	8.0
87.00896	3.3
89.02449	12.8
90.29909	2.1
91.01835	2.2
95.05032	8.2
96.96014	8.5
97.06599	27.6
99.00849	3.9
99.04521	81.0
101.02456	18.7
108.02214	2.7
109.02955	3.9
109.06602	5.1
111.04581	2.2
112.72540	2.1
113.02438	5.9
113.06096	48.6
122.03706	2.8
123.04530	84.8
124.04863	2.4
125.02445	7.4
135.00864	6.1
137.06090	6.2
141.05585	51.9
144.40231	2.2
153.01904	5.3
153.05566	8.4
155.07178	2.4
161.04546	5.8
167.03595	2.6
183.06651	4.8
191.11218	2.1
195.06683	2.6
243.10262	4.4
259.25787	2.5
321.86923	2.4
333.02628	3.4
370.39880	2.5
405.17599	100.0
405.24911	10.7
406.18024	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	405.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	33.5
61.98824	100.0
71.45292	33.4
76.96169	20.3
78.81760	18.8
84.13783	18.2
96.96008	42.8
118.31347	23.8
133.66241	18.9
153.97662	20.1
176.01990	19.2
194.60159	23.6
201.74968	22.3
301.18311	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	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
57.17754	0.5
59.01380	92.5
60.01715	1.3
61.98854	0.6
62.81769	0.6
69.83162	0.5
70.71940	0.9
70.72260	0.8
71.01389	5.6
73.02955	2.4
75.00875	3.9
83.01404	0.6
85.02941	1.7
87.00893	2.1
87.04514	0.7
89.02435	4.5
94.57193	0.5
96.96029	2.2
99.00912	0.7
99.04520	2.0
101.02450	2.1
103.03996	0.7
105.05571	2.9
109.06603	0.7
113.02464	2.8
117.01945	0.8
119.03495	1.1
121.02975	0.7
123.00903	0.6
123.08184	0.7
125.02446	1.9
131.81232	0.5
135.03018	7.6
137.02469	0.9
152.88643	0.5
161.04524	0.8
163.11270	1.0
165.12825	2.7
165.14824	0.6
167.10788	1.5
169.01437	1.8
177.04182	0.6
181.12332	2.1
183.10155	0.9
199.13379	1.0
201.11391	0.7
207.13901	3.9
209.11852	8.1
217.10750	1.1
225.11368	1.2
225.14944	6.6
227.12878	44.9
228.13246	2.8
243.06639	1.4
243.12337	8.3
243.16081	0.6
249.06102	0.8
251.12747	1.2
253.07407	0.6
267.07468	0.6
269.13916	8.1
270.14197	1.3
287.14999	100.0
288.15323	8.6
329.10849	1.5
356.67606	0.5
374.62372	0.6
387.23831	3.0
405.12210	1.6
405.17590	42.4
405.24860	9.9
406.18027	5.1
406.25293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.3
57.74509	1.8
59.01380	100.0
60.03195	2.0
61.98827	3.1
68.61740	1.8
68.76492	2.0
69.53484	10.8
69.53894	4.6
71.01376	17.8
72.99317	6.7
73.02940	17.3
75.00877	6.3
85.02956	5.0
85.75697	1.9
87.00887	3.1
87.70448	1.8
89.02453	16.4
93.03452	2.4
96.96018	6.1
97.06618	2.6
98.19888	4.0
99.00903	2.3
99.04496	3.4
101.02457	9.4
111.08290	2.4
113.02457	6.5
119.03500	6.9
125.02460	7.0
135.03021	8.0
136.75215	2.2
137.02440	4.8
160.46144	2.0
169.01373	3.0
177.02008	1.9
179.05704	3.7
207.06653	3.3
207.13913	3.9
209.11839	6.7
218.04608	2.8
225.14954	6.2
227.12868	36.3
237.07863	2.6
243.12500	2.8
243.16068	3.4
256.48129	2.1
269.13870	10.1
287.14981	82.2
288.15326	6.4
307.07214	5.7
387.23685	3.5
405.17026	24.9
405.25778	20.6
406.17966	4.6
406.25024	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76909	9.9
59.01379	100.0
68.10228	10.6
69.75791	56.2
70.88646	9.1
71.01383	30.3
72.99359	10.4
77.40006	9.4
83.69381	9.4
85.02950	13.3
89.02448	15.1
96.96026	24.7
99.47690	9.1
112.64450	9.7
125.02454	38.4
162.58920	9.9
167.44766	10.7
169.01357	27.7
243.06744	23.7
287.14883	18.5
361.25952	14.5
405.16632	30.7
405.24838	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98830	28.7
71.01376	34.5
71.53607	15.3
71.54031	34.9
78.86564	14.4
84.14568	18.9
85.02956	33.1
89.02435	30.7
95.31862	22.7
96.96027	38.3
113.02436	32.0
125.02440	51.4
153.84164	19.0
157.08647	25.8
169.01431	42.3
225.56184	19.8
253.54012	19.6
324.96262	19.9
361.26041	38.4
405.16718	34.6
405.25003	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
55.01857	1.4
57.03442	1.7
59.01381	17.5
60.23798	1.5
61.98829	1.7
66.47630	1.4
68.99788	2.4
69.03458	47.4
71.01392	7.1
71.55164	1.9
73.02958	1.7
75.00871	2.5
75.22292	1.4
79.01892	35.1
80.83115	1.8
81.03456	2.9
85.02943	5.3
89.02448	3.3
91.01908	1.7
93.03495	1.9
95.01381	9.7
96.95998	4.9
97.02951	31.8
101.02443	3.6
107.01393	68.7
108.01584	1.5
108.02193	22.9
109.02976	7.9
113.02432	2.8
120.01251	1.3
121.02966	6.0
123.00893	17.3
123.04530	3.0
125.02452	62.7
126.02740	2.4
133.02879	2.2
135.00894	5.2
135.04509	2.7
136.01630	6.4
137.02463	6.9
139.04033	2.8
149.02420	4.8
151.00372	74.1
152.00978	6.3
153.01923	16.1
161.02496	1.8
161.04529	2.1
163.04033	7.5
164.01129	1.8
165.01923	2.5
167.03471	1.9
169.01376	4.8
175.04071	1.6
177.01941	11.6
191.03398	1.4
197.06133	5.6
199.07715	8.6
201.48785	1.5
211.02403	2.2
242.05841	100.0
243.06584	64.8
244.06902	5.5
271.04468	2.2
285.07596	6.0
297.06097	16.9
298.06656	1.6
342.12082	2.5
345.22836	1.9
366.62671	1.6
405.11942	18.3
405.24826	5.6
405.63708	3.4
406.12561	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	405.1192
Annotation	2,3,4',5-Tetrahydroxystilbene 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.22988	0.2
57.03437	1.4
59.01379	5.0
60.89022	0.2
61.98815	0.5
63.02392	0.7
65.00325	4.0
66.29677	0.2
67.01879	0.5
68.41690	0.2
69.24261	1.0
69.24692	1.4
71.01393	2.3
73.02936	0.7
77.32381	0.2
81.03456	9.2
83.01385	4.5
85.02940	0.7
87.00860	0.4
89.02445	1.0
91.05540	0.6
96.95998	0.5
99.00926	0.3
101.02424	1.0
106.97187	0.3
107.01389	7.4
108.02177	0.3
109.03020	0.5
110.10390	0.3
111.00874	0.3
113.02444	0.9
113.26032	0.3
115.05534	0.5
117.03458	0.8
119.03465	0.3
121.02947	0.4
123.00888	0.6
124.01666	0.7
125.02448	13.5
126.02775	0.9
137.02429	0.6
139.00388	0.3
139.03967	0.8
147.04593	0.3
149.02446	2.3
151.00360	17.2
152.00804	0.8
155.08766	0.3
157.06532	1.5
159.04550	1.6
161.04475	0.4
165.01883	0.5
167.03464	1.5
169.01410	0.9
171.08177	0.6
181.06558	0.5
183.04410	0.4
183.13884	0.5
183.87280	0.2
190.53177	0.3
191.03735	0.2
197.06262	0.3
199.07648	12.3
200.07927	1.2
225.05588	2.4
227.12904	0.4
243.06607	100.0
244.04524	0.5
244.06950	9.2
267.06598	0.5
285.07596	0.4
319.04767	0.3
345.18958	0.3
405.12317	0.7
405.21133	0.9
405.25729	1.3
406.14664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.119
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01386	2.2
60.04838	0.4
61.98827	1.6
65.00322	0.5
70.25273	0.4
71.01397	0.7
71.54893	0.6
78.95921	0.4
91.01901	14.2
92.02233	0.7
93.03465	1.8
95.01405	0.7
96.96022	1.3
101.02454	0.4
107.01412	0.5
107.05058	0.8
108.02175	17.1
108.02909	0.9
109.02995	3.9
121.02981	1.0
123.00898	6.3
124.01714	0.9
125.02435	1.3
135.00891	14.5
137.02448	6.4
138.02802	0.5
151.00360	0.6
152.01163	16.6
153.01627	0.4
167.03548	0.7
169.01378	1.2
197.06039	1.4
199.07593	0.4
213.05550	1.3
215.07219	1.0
243.06616	100.0
244.04483	0.8
244.06946	9.0
287.22189	0.5
405.11945	5.3
406.12317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1193
Annotation	(-)-2,3-Dihydro-9-O-beta-glucosyloxy-2-isopropenyl-7H-furo[3,2-g][1]benzopyran-7-one
Peak:m/z	Relative Intensity
53.63702	0.3
57.03435	1.4
59.01106	0.7
59.01379	10.0
60.09046	0.4
61.98842	0.9
63.02394	0.7
65.00322	4.5
65.99460	0.4
67.01875	0.4
71.01382	3.8
72.99307	0.5
73.02945	1.2
81.03454	9.9
83.01382	4.1
85.02947	1.3
89.02436	2.7
90.83523	0.3
91.05526	0.4
96.95991	0.7
98.20657	0.9
100.84959	0.4
101.02444	2.6
107.01384	7.1
109.02917	0.7
113.02458	1.6
113.12522	0.3
115.05489	0.5
117.03467	1.0
119.03503	1.0
121.02990	0.4
124.01623	0.6
125.02437	13.4
128.99336	0.5
138.03232	0.4
139.04001	0.9
149.02411	1.6
151.00365	17.8
152.00737	1.1
157.06592	1.3
159.04501	1.2
161.04524	0.7
165.01973	0.4
167.03520	1.1
169.01425	1.5
181.06583	0.5
183.13890	0.5
184.49173	0.4
197.06099	0.5
199.07623	12.5
199.13448	0.6
200.07925	1.0
225.05486	2.6
227.12881	1.0
243.06612	100.0
244.06961	9.4
249.05956	0.4
265.30829	0.3
285.07550	0.5
306.07101	0.5
337.64697	0.4
345.19012	1.4
345.22998	0.5
345.34143	0.4
405.13028	0.7
405.15298	0.5
405.20642	3.2
405.25616	0.8
405.63690	1.1
406.21173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1189
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01377	8.8
60.44093	1.0
61.55331	1.0
66.93662	1.0
68.93269	0.9
69.03455	47.7
71.01393	5.3
71.52388	1.9
73.02943	1.6
79.01891	30.1
80.02207	1.2
81.03449	2.4
83.01381	1.2
85.02954	3.7
89.02443	2.6
93.03448	2.8
95.01393	9.9
96.96016	1.9
97.02949	31.1
98.03304	1.3
101.02436	2.9
107.01385	58.7
108.02210	13.9
109.02975	7.2
111.00888	1.4
113.02451	3.1
119.90038	1.0
121.02955	6.8
123.00887	16.8
125.02443	54.1
126.02771	1.8
133.02972	2.8
135.00859	3.1
135.04500	2.4
136.01695	6.3
137.02435	6.3
139.04008	2.3
149.02435	4.0
151.00366	69.6
151.03960	2.2
152.00996	4.9
153.01933	16.0
163.04022	7.6
165.05499	1.0
165.46422	0.9
169.01360	3.0
175.03952	1.3
177.01917	12.6
179.03539	1.6
197.06076	2.8
199.07599	2.2
204.90773	1.1
207.02980	1.4
211.02556	1.6
215.07327	1.4
242.05840	100.0
243.06566	58.0
244.06961	4.7
285.07480	6.2
297.06061	15.8
298.06433	1.2
405.11780	12.9
405.20630	1.5
405.25690	5.4
405.63416	1.7
406.12305	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.7
59.01377	12.2
61.98826	1.4
66.78382	0.6
67.01878	0.6
69.73502	3.3
71.01384	9.6
72.99297	0.7
73.02932	2.4
78.95936	0.6
79.01903	1.3
81.03473	0.7
83.01381	2.1
85.02949	3.8
87.00848	1.0
89.02441	8.0
95.01386	3.2
96.96011	0.7
96.96945	1.0
97.02941	1.2
99.00835	0.7
101.02440	7.4
107.01373	4.4
111.00854	1.9
113.02452	4.7
118.95126	0.5
119.03492	1.3
119.04967	0.7
123.00890	16.7
125.02443	20.4
126.02740	0.8
129.09637	0.7
129.33118	0.7
137.02386	0.8
139.00371	7.0
140.01109	2.3
141.01926	2.3
143.03564	0.7
151.00366	17.5
151.03975	0.7
152.00690	0.9
153.01956	1.1
161.04547	1.1
168.00638	3.1
169.01413	23.3
170.01828	0.7
182.04539	0.8
211.02521	1.1
225.04012	0.8
253.03560	2.0
271.04550	0.8
313.05630	6.8
405.10339	100.0
406.10645	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	404.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.1
61.98826	37.8
63.11657	1.5
64.94178	1.7
67.19952	1.5
70.13709	5.0
79.95733	6.5
80.96497	1.8
85.02923	2.6
89.02445	1.6
93.03444	6.7
96.96006	100.0
98.19978	2.7
113.02515	1.6
125.02472	3.6
130.08743	15.2
130.63637	1.5
137.02454	22.2
168.31236	1.7
169.01381	3.7
199.07697	3.1
243.06506	7.1
277.67929	1.9
284.11539	1.8
324.21884	7.6
363.05505	2.0
404.17358	23.2
405.18439	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	404.1748
Annotation	N1-hydroxy-roquefortine C
Peak:m/z	Relative Intensity
59.01374	0.3
61.98826	1.4
71.26018	0.2
72.39024	0.3
79.95723	1.4
91.49791	0.2
96.96008	100.0
97.95908	0.4
98.19771	0.3
130.08736	16.5
131.09085	0.4
154.74164	0.3
229.41936	0.3
300.30209	0.2
306.20682	0.3
324.21765	9.7
325.22037	0.8
385.39993	0.2
404.17429	25.3
405.17682	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	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
66.25134	0.4
69.30944	2.4
69.31358	1.1
73.29723	0.4
80.67939	0.4
98.20711	0.8
105.48956	0.4
212.14197	0.4
297.76212	0.4
319.59894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.1
58.02977	11.3
59.01378	20.6
61.98843	3.0
67.53034	1.3
71.01385	13.3
71.31293	2.4
72.99277	1.8
73.02954	3.2
74.02477	24.1
82.02985	2.6
83.01401	1.9
85.02953	3.8
86.02479	8.5
87.05643	8.0
89.02449	5.3
96.96024	2.4
97.04089	3.0
99.05642	20.9
101.02448	6.6
101.07185	3.4
102.05647	2.9
109.04064	2.7
111.05681	1.9
112.04034	2.8
113.02473	4.3
116.01780	2.7
118.83317	1.5
119.03495	3.4
123.00888	3.3
124.01208	1.7
125.02467	4.2
125.03495	1.9
127.05093	4.3
128.02583	3.1
128.03539	58.6
129.03868	3.6
135.05664	5.1
141.06725	6.4
143.04620	77.8
145.06168	3.5
146.04599	7.4
151.00397	1.7
153.06674	5.0
160.00731	20.2
161.04478	1.7
166.09885	3.1
167.04631	4.4
169.01375	4.8
170.01843	2.1
170.03293	1.9
177.03406	7.5
179.04597	14.6
189.95273	1.5
197.05647	3.0
210.08769	11.9
225.15027	1.5
242.07813	2.5
243.15961	2.3
254.07829	24.4
256.35812	1.6
272.08887	34.4
273.09067	3.0
288.06580	11.0
306.07632	100.0
307.07916	7.6
329.06894	3.1
404.12689	22.0
405.07892	2.7
405.13156	4.5
405.21317	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09109	0.4
54.13897	0.4
57.03437	0.5
59.01372	2.4
61.98828	100.0
71.01379	1.0
71.51521	0.7
72.99317	0.9
73.02934	0.7
78.95915	1.0
85.02941	0.7
87.00880	0.7
89.02438	1.0
95.01402	0.4
95.57968	0.4
96.96019	0.9
96.96962	1.1
98.95607	0.4
101.02460	0.8
111.00905	0.8
119.15578	0.4
120.01199	0.5
122.06110	0.5
125.02457	1.2
169.01405	1.0
177.01923	1.0
186.88757	0.5
192.04317	0.8
236.83055	0.4
249.06281	0.7
266.07486	0.5
306.07220	0.8
404.13165	2.5
405.10349	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	403.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69033	4.7
59.01385	6.4
61.98828	100.0
62.02523	5.0
71.09663	6.1
78.95895	5.4
79.95724	48.7
96.96016	51.3
125.02441	6.9
156.45395	5.2
185.35530	5.2
191.03810	6.7
222.80879	5.7
249.20071	4.7
299.56378	4.8
379.36691	5.4
403.17914	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1608
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
57.03431	5.2
57.74287	1.3
58.00598	1.5
59.01379	100.0
60.01706	1.6
61.98825	6.2
69.03450	2.6
69.61953	9.1
71.01381	24.4
72.99287	3.5
73.02940	9.9
83.01396	2.7
83.05012	1.6
85.02950	10.5
87.00867	4.9
89.02440	18.0
95.01401	2.5
95.05038	1.5
97.06591	1.9
98.20640	1.5
99.04507	3.0
101.02441	14.0
111.00851	5.9
113.02459	11.2
114.66382	1.5
119.03480	7.6
119.08643	2.8
122.06117	2.0
123.00918	1.8
123.08105	2.0
123.16023	1.4
125.02403	6.0
126.06892	1.6
128.03523	1.5
132.04463	2.5
135.08167	2.5
137.09683	6.3
138.06859	6.3
143.03485	2.0
151.00339	1.6
153.09196	20.2
160.04086	1.6
161.04575	4.3
161.09741	5.7
162.09943	1.3
165.04057	3.3
165.12794	1.5
167.03508	1.6
169.01347	2.9
171.38751	1.6
176.03476	1.7
179.05568	2.8
179.10794	4.0
181.08704	10.9
183.13899	4.4
190.05093	5.1
197.11818	53.1
198.12190	2.2
211.13474	7.0
223.09669	4.5
224.09697	2.2
239.11978	4.0
241.10806	82.6
242.11058	8.1
248.57216	1.5
253.06113	3.0
255.12337	45.4
256.12704	3.2
267.07578	1.9
269.04135	1.7
283.10846	9.3
284.11456	2.3
305.05862	1.8
327.09805	12.9
327.72885	1.8
371.08984	6.8
403.11359	10.0
403.16562	2.9
403.23447	4.5
404.12350	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	403.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14315	0.6
55.01891	0.9
57.03447	5.3
59.01379	8.4
59.37188	0.7
61.98819	1.8
65.00278	0.7
67.01881	0.9
69.03462	1.7
71.01376	3.8
71.52750	0.7
73.02958	1.9
81.03431	3.2
83.01385	4.9
83.05062	0.7
85.02959	1.5
87.00904	0.9
89.02444	1.8
93.03471	3.0
94.99242	0.7
95.01404	2.5
95.05015	2.9
95.54052	0.6
96.96020	0.9
97.02945	5.5
101.02455	2.5
102.11759	0.6
107.01394	1.4
107.05032	1.4
109.02950	18.5
110.03300	0.7
111.00897	1.1
111.04537	4.2
111.08096	1.2
113.02449	1.8
121.02958	2.8
123.00880	9.2
123.04504	1.2
124.01711	3.9
125.02443	88.5
126.02803	4.3
129.09305	0.7
133.06641	0.9
133.33968	0.7
135.04539	2.5
135.08185	0.7
137.02440	29.5
137.06079	0.8
137.09679	1.2
138.03111	2.0
139.00400	1.5
139.04015	22.5
140.04317	1.1
143.37949	0.6
144.90128	0.6
146.01367	0.8
147.04547	1.1
149.02414	1.5
149.06026	3.0
151.00378	1.4
151.03987	3.2
155.03471	1.2
159.04492	2.0
160.05269	0.7
161.02480	3.4
161.04514	0.7
162.03209	0.9
163.04091	0.9
163.07619	0.8
164.01151	6.0
165.01926	23.3
166.02492	1.5
167.03496	24.8
168.00641	0.9
168.03841	1.8
169.01416	4.6
173.06012	1.2
175.03987	4.1
175.07655	1.3
177.01945	3.7
177.05553	5.4
178.02708	1.9
179.03496	21.4
179.07103	4.8
180.03917	1.5
181.05132	0.8
181.12343	2.7
189.05725	0.7
191.03474	0.8
191.07120	5.4
193.05031	1.1
201.05609	1.6
203.03452	3.6
204.04311	3.7
218.05832	1.4
219.06606	21.9
220.06987	1.5
221.04533	11.3
222.05058	0.8
223.09697	1.1
233.08070	3.7
235.09668	0.8
240.08165	0.6
241.05064	2.7
241.14484	0.9
243.06639	1.8
245.04590	0.7
247.02512	1.7
261.07632	5.9
263.05600	1.3
263.09708	0.6
273.11304	0.7
277.10910	1.0
305.06647	100.0
306.06992	9.7
315.12488	2.2
358.11340	1.3
359.11331	17.4
360.11697	2.4
385.12903	2.2
403.14151	46.5
403.22821	3.7
404.14368	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	403.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95708	0.4
55.01866	1.0
57.03444	0.7
58.02967	0.8
59.01375	7.0
60.36875	0.5
60.95802	0.4
61.46466	0.5
61.98819	0.9
62.23458	0.5
62.56097	0.5
67.01892	1.0
69.53479	1.4
69.53897	1.8
71.01378	6.1
72.99294	0.9
73.02945	2.0
74.02472	2.9
75.32471	0.6
79.01884	1.1
83.01378	2.0
83.49599	0.4
85.02934	3.9
86.02460	1.3
87.00879	1.1
87.05630	1.1
89.02450	2.1
95.01371	2.4
96.96004	0.5
97.02969	0.6
98.19949	0.9
99.00855	0.7
99.05650	2.2
101.02443	5.6
101.07190	0.5
103.98127	0.5
107.01390	4.1
111.00874	3.2
113.02453	2.6
119.03515	1.0
123.00887	16.8
124.01746	1.2
125.02443	16.4
126.02726	0.6
127.00352	1.3
128.03537	5.6
135.05554	0.7
136.03125	0.5
136.98784	1.7
137.75366	0.5
139.00362	7.0
140.01181	4.6
141.01906	1.7
141.06659	1.0
143.03546	0.8
143.04619	10.7
146.04594	0.8
151.00357	13.5
153.01930	0.7
153.06735	0.6
160.00673	2.4
161.04552	0.4
161.91592	0.5
167.04608	0.7
168.00639	4.4
169.01418	18.8
170.01703	1.1
174.05537	0.6
177.03352	1.0
179.04620	1.5
210.08847	1.5
241.11012	0.5
241.14377	0.7
254.07741	2.8
270.80716	0.6
272.08887	4.3
288.06595	1.6
306.07654	11.0
313.05521	0.9
403.12411	100.0
404.12714	13.3
404.20419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21730	0.2
55.01868	0.6
57.03420	0.5
58.02965	1.3
59.01107	0.4
59.01382	5.8
61.98820	0.4
65.00329	0.4
67.01876	1.3
68.99792	0.3
69.03445	0.5
71.01383	7.0
72.99307	0.5
73.02947	2.1
74.02479	2.6
79.01897	1.2
81.82265	0.3
83.01412	1.5
85.02959	3.7
86.02473	0.8
87.00878	0.8
87.04520	0.3
87.05630	0.7
89.02448	1.8
95.01392	2.2
97.02933	0.7
98.20646	0.6
99.00870	0.9
99.05640	2.2
101.02444	5.3
107.01382	3.8
109.04018	0.3
110.00100	0.5
111.00900	2.7
113.02440	2.6
119.03519	0.8
123.00890	15.8
124.01671	1.0
125.02451	15.2
126.02787	0.6
127.00359	0.6
128.03535	6.2
135.05600	0.5
136.98824	1.9
137.02419	0.5
139.00374	6.9
140.01161	3.6
141.01939	1.6
141.06718	0.8
143.04619	9.3
146.04590	0.6
150.94919	0.3
150.99171	0.6
151.00377	12.3
152.00697	0.5
153.01956	0.7
153.06671	0.5
153.09218	0.8
159.03004	0.5
160.00725	2.1
161.04523	0.8
163.04065	0.4
165.01913	0.3
166.05074	0.4
167.03395	0.7
167.04637	0.7
168.00620	4.2
169.01425	20.0
170.01773	1.0
173.02217	0.3
177.03336	0.6
179.04623	1.3
182.04636	0.3
185.05682	0.5
197.05730	0.4
210.08908	1.5
211.02443	1.3
223.02557	0.4
241.14435	0.7
253.03645	0.4
254.07770	2.4
271.04666	1.4
272.08847	3.4
288.06580	1.1
306.07648	9.7
313.05530	1.4
403.12433	100.0
404.12744	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03468	0.6
58.02965	1.2
59.01379	7.2
67.01889	1.1
69.30184	3.4
69.30601	1.4
71.01382	7.7
72.99307	0.9
73.02949	3.2
74.02477	1.9
79.01871	0.6
83.01374	1.4
85.02962	4.0
86.02474	0.8
87.00871	0.6
87.05631	0.7
89.02430	1.9
95.01389	1.8
97.02930	0.6
98.19866	0.7
99.00863	1.1
99.05645	1.6
101.02445	5.3
102.05671	0.5
107.01413	4.0
111.00909	3.1
113.02446	3.0
123.00881	16.2
124.01688	1.1
125.02451	15.6
126.02802	0.6
128.03545	5.2
136.98801	1.3
139.00374	6.8
140.01184	4.1
141.01921	1.7
141.06679	0.5
143.04613	7.9
146.04590	0.6
151.00360	13.1
153.01968	0.8
160.00719	1.6
168.00642	3.6
169.01427	22.2
170.01762	0.8
179.04620	1.7
210.08829	1.0
211.02592	1.0
241.04692	0.6
241.14444	1.3
254.07799	2.2
271.04559	1.2
272.08951	2.8
288.06726	1.3
306.07632	10.0
313.05704	1.6
403.12439	100.0
404.12738	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77783	1.7
54.56993	2.1
57.03443	4.4
59.01379	87.7
61.98841	1.8
71.01378	24.9
71.55163	2.6
71.55545	2.0
73.02934	10.9
74.51293	1.8
83.01406	3.1
83.04939	2.2
85.02950	9.6
87.00887	6.3
89.02429	19.8
95.01404	2.0
96.96001	5.2
101.02435	15.8
104.05090	2.1
111.00867	2.7
113.02421	13.0
119.03506	7.0
121.06587	3.6
122.06123	5.5
124.07646	4.0
125.02436	3.4
128.79774	2.0
130.02948	3.8
132.04535	17.5
134.38824	1.9
135.02959	3.0
137.09764	3.7
138.20520	1.7
147.03267	3.3
150.05602	1.9
158.02429	9.7
159.73576	1.7
160.04005	7.1
161.04555	5.7
161.09712	7.3
162.05595	4.3
163.07610	4.3
169.01434	2.2
174.05688	4.4
176.03502	12.4
179.10713	3.9
181.08722	5.5
184.07700	2.2
190.05092	25.6
191.05487	3.4
197.11836	29.4
211.12390	2.6
223.09679	3.7
224.09529	8.2
234.04019	4.1
239.11914	15.0
240.10214	5.5
241.10841	47.6
253.06227	12.8
255.11290	3.9
265.09830	2.5
267.07581	4.6
268.08554	5.6
283.10852	50.2
284.11163	6.6
309.08820	5.5
315.13510	2.6
327.09827	100.0
328.10385	10.9
343.17526	4.1
359.12363	5.8
371.08768	34.9
372.09201	5.4
403.11313	26.8
403.15195	5.0
403.16904	3.4
403.20105	15.3
404.11893	3.3
404.19690	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11884	2.9
57.03424	4.6
59.01378	26.2
68.42344	3.7
71.01378	8.9
71.56059	5.5
73.02934	6.0
85.02922	7.0
88.17394	3.1
89.02410	5.8
96.96002	3.9
101.02461	4.6
109.93469	3.4
113.02474	4.6
117.85892	3.3
122.06092	7.5
127.27573	3.4
132.03693	3.7
132.04526	19.3
147.03271	4.8
151.00377	3.6
153.09206	14.6
158.02464	10.0
160.04085	7.8
169.01376	3.0
176.03502	7.2
183.13904	6.7
190.05083	18.7
211.13432	4.4
218.38007	3.5
220.02525	3.3
223.08759	3.1
224.09401	15.9
227.08154	3.3
234.03888	3.8
239.11877	20.0
240.10320	5.4
241.09999	6.7
253.06075	14.2
255.12474	31.2
265.09698	5.0
267.07806	4.7
268.08429	9.1
277.64087	3.7
281.09314	3.6
283.10855	52.5
284.11261	3.4
309.08707	8.5
315.04196	7.8
315.54431	5.0
316.02335	7.5
317.02890	7.7
327.09863	100.0
328.10147	10.0
371.08749	50.1
372.08939	6.8
403.11371	13.9
403.23297	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	403.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.9
59.01385	29.0
61.98846	3.6
71.01373	7.1
73.02936	5.3
75.00854	2.5
80.05075	1.9
81.04698	1.4
85.02941	4.8
87.00869	3.3
90.22323	1.7
93.03466	1.6
101.02434	3.8
109.02970	3.7
113.02437	3.3
122.06150	7.9
125.02428	6.5
130.02956	2.3
132.04558	23.0
132.10489	1.7
135.02956	2.7
137.02441	2.5
143.07211	1.7
147.03215	3.2
148.03987	2.4
150.05609	2.4
151.60576	1.6
158.02524	9.5
160.04027	9.3
162.05659	2.1
165.01950	2.3
167.03517	1.6
169.01407	5.4
174.05556	2.6
176.03510	10.2
181.12323	4.9
183.09337	2.5
184.07692	2.2
190.05103	26.4
191.05559	1.8
198.04277	2.2
211.12369	4.5
212.05731	2.8
212.10767	2.0
215.11931	4.3
216.66338	1.7
220.02472	2.1
223.08810	3.5
224.07495	2.1
224.09500	11.6
226.07498	2.6
227.08154	6.0
227.12852	5.7
234.04013	3.1
239.08270	3.2
239.11874	24.0
240.10464	10.4
241.05113	3.3
241.09770	13.0
241.14415	2.4
249.08624	3.2
253.06201	24.8
254.06636	2.2
255.07794	3.1
255.11324	6.8
265.09808	3.1
267.07672	8.4
268.08505	12.5
281.09253	4.9
283.10886	56.9
284.11465	3.4
285.13483	6.0
287.10297	2.3
287.15009	16.2
305.06689	8.2
309.08786	15.8
315.13507	2.8
327.05951	3.0
327.09857	62.5
328.10037	6.6
341.11343	3.8
359.12375	5.9
371.08862	43.6
372.09149	5.6
374.12015	3.0
403.11417	100.0
403.23361	12.9
404.11841	14.5
404.23804	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.9
59.01385	29.0
61.98846	3.6
71.01373	7.1
73.02936	5.3
75.00854	2.5
80.05075	1.9
81.04698	1.4
85.02941	4.8
87.00869	3.3
90.22323	1.7
93.03466	1.6
101.02434	3.8
109.02970	3.7
113.02437	3.3
122.06150	7.9
125.02428	6.5
130.02956	2.3
132.04558	23.0
132.10489	1.7
135.02956	2.7
137.02441	2.5
143.07211	1.7
147.03215	3.2
148.03987	2.4
150.05609	2.4
151.60576	1.6
158.02524	9.5
160.04027	9.3
162.05659	2.1
165.01950	2.3
167.03517	1.6
169.01407	5.4
174.05556	2.6
176.03510	10.2
181.12323	4.9
183.09337	2.5
184.07692	2.2
190.05103	26.4
191.05559	1.8
198.04277	2.2
211.12369	4.5
212.05731	2.8
212.10767	2.0
215.11931	4.3
216.66338	1.7
220.02472	2.1
223.08810	3.5
224.07495	2.1
224.09500	11.6
226.07498	2.6
227.08154	6.0
227.12852	5.7
234.04013	3.1
239.08270	3.2
239.11874	24.0
240.10464	10.4
241.05113	3.3
241.09770	13.0
241.14415	2.4
249.08624	3.2
253.06201	24.8
254.06636	2.2
255.07794	3.1
255.11324	6.8
265.09808	3.1
267.07672	8.4
268.08505	12.5
281.09253	4.9
283.10886	56.9
284.11465	3.4
285.13483	6.0
287.10297	2.3
287.15009	16.2
305.06689	8.2
309.08786	15.8
315.13507	2.8
327.05951	3.0
327.09857	62.5
328.10037	6.6
341.11343	3.8
359.12375	5.9
371.08862	43.6
372.09149	5.6
374.12015	3.0
403.11417	100.0
403.23361	12.9
404.11841	14.5
404.23804	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	401.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84023	1.3
59.01379	100.0
59.84908	1.1
60.01722	1.9
61.98825	1.5
69.03450	2.7
71.53788	2.5
83.62853	1.2
88.33342	1.1
89.02472	1.1
96.96008	2.0
106.88834	1.3
113.02455	1.4
121.02961	25.4
129.30742	1.3
161.14470	1.3
169.37085	1.3
181.06566	1.7
230.81151	1.4
313.07205	7.0
357.06149	1.9
393.20148	1.2
401.08859	5.7
401.25491	1.5
402.08716	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	402.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42219	18.0
69.21114	100.0
69.21544	90.2
75.82978	17.9
77.77763	19.3
111.86114	20.0
117.16409	18.1
150.86856	18.7
154.39136	19.9
158.43068	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30307	1.2
51.97181	1.3
55.01857	1.8
57.03453	3.2
59.01379	11.6
61.98833	18.0
64.28326	1.5
71.01375	13.2
71.54168	1.3
72.99316	2.1
73.02931	4.8
78.95902	54.7
81.03417	1.7
83.01392	2.7
85.02937	7.2
87.00887	10.6
89.02453	21.5
95.01398	4.0
96.95999	43.8
96.96952	81.3
97.02948	2.8
101.02430	11.2
107.01385	3.9
109.02956	7.0
111.00849	4.2
113.02431	5.8
113.73469	1.5
119.03484	2.8
121.02914	2.7
123.00896	17.9
124.01666	2.4
124.63786	1.4
125.02448	55.3
126.02745	2.0
129.01973	2.6
135.08131	1.9
137.02434	12.1
138.06509	1.3
139.00391	6.9
139.04013	6.7
141.01941	1.9
151.00388	12.0
153.01927	3.1
158.65692	1.6
161.02400	1.7
164.01126	3.1
165.01897	8.3
166.02698	1.6
167.03467	9.9
168.00626	4.8
169.01411	25.3
179.03502	7.8
185.01086	1.6
204.04227	1.6
211.02365	2.0
219.06589	6.3
221.04471	3.6
251.07733	22.5
261.07632	2.7
267.07257	2.5
271.04437	2.3
305.06641	68.9
305.10159	3.5
306.06909	8.2
313.05588	3.1
403.12732	100.0
403.19745	4.7
404.08133	2.5
404.13229	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	401.1817
Annotation	Spionoside B
Peak:m/z	Relative Intensity
51.70534	0.8
57.03445	1.9
59.01379	21.3
69.03441	1.8
70.60470	0.8
71.01376	7.2
71.54965	1.0
71.92780	0.8
72.99325	1.3
73.02946	3.5
83.01439	1.1
85.02944	6.7
87.00854	0.9
89.02460	4.5
91.03998	7.2
93.03480	1.2
95.05035	1.1
96.96010	23.0
96.96597	1.5
97.02964	1.9
97.06599	3.9
101.02473	4.1
107.05020	1.1
111.00837	1.0
113.02448	3.9
119.03544	1.2
125.02444	10.6
130.08707	4.5
141.65245	0.9
146.08168	1.1
151.04021	2.0
153.12849	16.2
155.10698	1.0
161.04486	1.2
165.12827	1.1
169.01436	2.6
171.10289	9.4
177.01913	4.2
177.12848	6.1
179.10768	5.3
183.13850	2.6
195.13896	100.0
196.14278	6.3
197.10187	1.7
197.11819	16.2
198.12206	1.3
203.10788	3.3
211.13358	6.8
219.13863	1.6
221.11893	5.4
223.09743	1.4
229.14459	5.8
239.12875	91.4
240.13208	6.4
263.12878	3.1
278.33173	1.0
281.13950	3.4
291.19772	3.6
301.14963	0.9
309.20642	3.1
322.20200	1.8
327.21793	39.4
328.22025	3.7
328.25574	0.9
401.17630	1.5
402.11273	0.9
402.16077	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	401.1815
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
52.06574	0.5
52.39808	0.4
55.01871	1.1
57.03437	1.7
58.00592	1.4
59.01378	40.8
67.01900	0.6
69.03449	1.7
70.59221	0.5
70.59555	1.0
71.01382	24.6
72.01707	0.8
72.48850	0.4
72.99321	2.3
73.02940	1.7
74.32410	0.4
81.03461	1.1
83.01372	1.7
83.05011	0.6
85.02955	6.5
87.00863	2.7
89.02446	24.7
90.02776	0.6
93.03446	0.6
95.01376	1.6
95.05035	0.9
96.96001	0.6
97.02946	5.7
97.06603	0.8
97.49721	0.4
99.00896	0.8
101.02441	13.0
108.02170	1.0
109.02927	1.8
111.04504	1.1
113.01702	0.7
113.02444	8.0
119.03504	9.4
120.91278	0.4
121.03001	0.5
122.03755	0.5
123.00890	0.5
123.04525	14.8
125.02432	1.5
131.03506	1.2
137.02432	1.0
137.06068	3.8
137.09705	0.9
143.03522	1.1
149.09673	0.7
151.07719	0.9
151.11258	0.8
159.02934	0.5
161.04559	2.0
167.10771	0.5
169.01451	1.4
173.04536	0.6
179.05614	2.7
179.06934	0.5
179.10712	1.2
186.53996	0.4
193.12317	0.8
198.82368	0.4
203.10773	1.7
206.09428	0.6
219.97028	0.4
221.11812	100.0
222.12178	7.9
239.12920	1.2
239.16481	0.8
241.14354	0.5
357.17667	0.5
383.17133	1.8
401.10922	3.5
401.17447	3.5
401.21960	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51078	0.5
56.97270	0.7
57.03455	1.1
58.73082	0.6
59.01379	1.7
69.03449	0.8
71.01382	1.9
71.30556	1.2
75.00875	0.6
78.51154	0.5
81.03445	1.0
83.05039	2.7
85.02953	2.6
87.00896	1.5
93.03469	6.1
105.45966	0.6
111.04508	5.7
111.08176	1.2
120.29703	0.7
123.00807	1.1
125.02424	1.8
127.03994	1.7
137.02448	1.8
155.03505	7.2
165.01924	0.9
165.12849	27.2
166.13156	1.9
169.01341	1.3
173.04544	20.7
174.04883	0.7
183.13898	100.0
184.14262	8.4
191.05624	12.8
209.11819	2.2
227.12895	93.1
228.13214	7.6
324.58554	1.5
400.59375	0.6
401.18140	26.7
402.18375	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	401.1452
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01861	0.7
57.03439	0.4
59.01110	0.4
59.01384	4.6
61.08706	0.2
63.02364	0.2
67.01898	1.2
68.99815	0.4
69.03451	0.6
69.24093	2.4
71.01380	4.5
72.99300	0.8
73.02940	1.8
79.01883	1.4
83.01380	2.0
85.02940	2.2
85.30145	0.3
86.00082	0.3
87.00878	0.6
89.02428	0.3
93.03445	0.3
95.01384	2.3
96.96048	0.2
97.02947	0.9
97.04781	0.2
99.00864	0.6
101.02444	4.1
107.01387	3.7
109.02927	0.3
110.00092	0.4
111.00877	3.6
111.33345	0.2
113.02467	1.2
123.00887	15.6
124.01728	2.2
125.02448	14.7
127.00365	0.9
136.98827	1.5
137.02420	1.0
139.00366	6.8
140.01158	4.8
141.01956	1.8
151.00363	11.7
151.04076	0.3
152.00661	0.5
153.01949	0.6
154.99814	0.5
161.02344	0.4
161.04437	0.3
163.03934	0.3
165.02003	0.3
167.99219	0.3
168.00632	5.0
169.01418	16.3
170.01767	0.7
177.01898	0.3
179.03555	0.3
179.10811	0.4
181.05078	0.5
181.64061	0.2
206.33922	0.2
313.05664	0.8
326.10080	0.3
401.14496	100.0
402.14841	13.1
416.62299	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
57.03437	2.1
58.00586	1.8
59.01379	31.8
68.99818	1.6
69.03453	3.5
71.00997	1.3
71.01385	23.3
71.56012	1.3
72.01693	1.1
72.99329	1.7
73.02937	6.3
75.00868	2.6
76.01485	0.7
77.74636	1.0
83.01388	4.2
83.04980	0.8
85.02954	10.6
87.00872	2.4
87.03905	0.7
87.04458	1.1
87.15861	0.9
89.01932	0.9
89.02449	12.7
93.03458	32.9
94.03792	1.0
95.01372	3.1
96.96014	2.7
96.99287	1.2
97.02942	2.0
99.00879	3.6
101.01775	1.3
101.02439	16.6
107.04968	0.8
108.02131	1.1
113.02448	11.8
119.03482	3.8
119.07131	1.7
121.02992	4.6
123.00843	1.8
123.04523	1.1
125.02425	3.0
135.04440	1.6
136.01636	2.1
137.02444	100.0
138.02792	3.1
149.02402	1.1
151.03990	3.1
161.04485	2.8
161.09583	1.0
162.01326	0.7
163.04004	1.2
164.03522	4.5
169.01343	1.5
177.12885	1.4
178.06419	0.9
179.03490	6.2
179.07089	1.3
179.10638	1.0
185.00893	1.3
195.03096	1.4
209.04451	0.9
221.04503	2.3
221.11772	2.6
239.05571	3.1
239.09155	1.4
249.06122	4.7
255.05173	0.8
269.10223	1.2
281.06619	2.7
283.11777	1.1
303.05118	0.8
339.13107	0.9
373.73251	0.8
401.14407	76.8
402.14651	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	4.5
59.01378	82.1
71.01380	23.3
71.55006	3.8
72.99303	3.5
73.02946	5.3
75.00858	3.3
83.01377	4.3
84.65450	2.5
85.02945	7.5
87.00866	3.2
89.02439	14.6
93.03423	3.7
95.01355	2.4
96.95992	6.6
101.02430	15.5
101.92112	2.0
107.05045	15.1
109.02937	6.6
111.04530	2.9
113.02435	8.1
119.03484	7.3
121.02151	2.8
121.02954	37.1
122.03313	2.5
123.04548	4.0
125.02440	30.7
131.03532	3.0
135.04515	8.5
137.02429	15.5
137.05956	2.1
138.03206	7.3
149.02458	2.5
153.01898	5.0
160.59692	2.4
161.02454	5.4
161.04488	2.5
163.04021	3.2
165.01871	13.1
166.02713	13.9
167.03427	4.0
169.01414	4.6
177.01851	4.0
177.31540	2.6
179.03497	100.0
180.03882	6.2
221.11824	16.2
222.12074	2.0
239.05600	6.3
257.79324	2.1
290.00888	2.9
303.05087	7.3
304.05753	2.5
383.11429	2.2
401.14279	13.1
401.18979	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	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	6.6
59.01377	85.2
69.03429	3.2
70.70557	2.8
70.70905	5.3
71.01373	23.1
73.02939	4.7
85.02936	9.6
89.02444	17.6
89.91155	2.4
93.03457	3.8
95.01367	2.5
96.96006	6.5
97.02882	2.5
100.47713	2.5
101.02434	10.1
107.05023	13.5
109.02953	5.7
110.03068	2.1
111.04512	3.3
113.02435	10.0
119.03472	8.5
119.04999	3.2
120.51038	2.1
121.02158	3.6
121.02956	46.4
121.98540	2.0
122.03288	2.9
123.04523	5.1
125.02436	41.0
135.02969	3.5
135.04514	9.4
137.02428	14.7
138.03178	9.1
149.02345	4.2
151.03925	2.2
153.01933	3.9
161.02454	5.6
161.04578	3.6
163.03975	4.5
165.01891	12.2
166.02708	15.9
166.26071	2.4
167.03426	7.1
170.02100	2.7
177.01917	3.3
177.14685	2.7
179.03490	100.0
180.03821	2.2
191.03539	3.4
195.02901	3.0
206.05162	2.6
221.11801	25.8
239.05692	7.3
287.37250	2.4
303.05170	11.9
304.05774	3.8
389.12845	2.2
401.13861	12.4
401.18146	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	401.1091
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
56.55456	0.9
59.01377	5.7
61.98827	3.7
69.03474	1.5
69.69142	5.3
71.01382	10.3
72.99314	2.4
73.02945	5.9
77.19125	1.1
85.02973	8.4
87.00876	78.0
87.87058	1.0
89.02438	3.1
96.96051	1.3
97.02966	1.8
98.20535	1.8
101.02457	6.9
109.02929	3.3
111.00880	1.7
113.02454	4.8
121.02904	1.3
123.00871	1.9
125.02443	3.2
129.02039	1.2
131.03510	2.0
141.63412	1.1
149.02426	2.2
150.03146	1.3
151.00380	4.3
151.03955	2.1
161.02457	4.4
163.04031	4.4
164.04797	6.3
165.05511	2.7
166.02713	13.4
167.03215	1.3
169.01479	2.0
173.02562	1.1
176.04784	3.6
177.01912	2.9
178.06387	3.0
179.03477	7.3
179.05638	1.9
179.07076	8.3
181.05069	12.7
187.03952	1.4
191.03494	3.6
191.07120	1.4
191.61180	1.3
193.05070	2.5
194.05855	6.7
203.03461	1.8
205.04977	2.2
206.05920	1.9
207.03026	1.4
207.06561	1.4
209.08147	7.7
218.05878	1.4
219.02979	2.8
221.08176	2.0
231.02898	2.2
234.32262	1.2
235.06181	1.5
237.07610	2.1
238.43808	1.1
246.05516	1.4
249.07686	4.0
261.07733	2.0
262.04825	2.0
265.07156	23.8
266.07434	1.6
267.70993	1.2
271.04614	3.4
277.07199	4.5
279.08719	1.7
284.02176	1.1
295.08200	10.1
296.08575	1.4
325.09219	2.8
341.10812	3.4
355.10477	3.5
383.09839	1.7
401.10864	100.0
402.11133	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	401.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69905	0.8
52.52421	0.9
59.01101	1.5
59.01379	22.7
59.13655	1.0
62.00835	0.8
67.01874	1.4
69.37011	7.4
71.01386	13.0
72.99271	2.4
73.02943	1.9
78.39429	1.0
82.29274	0.8
83.01384	1.9
85.02961	5.3
87.00871	3.5
89.02441	9.8
93.03450	4.2
95.01407	1.8
101.02452	6.7
107.01402	5.6
109.02939	0.9
110.83409	0.8
111.00883	3.1
113.02449	5.6
119.03494	2.7
121.02977	0.9
122.25130	0.9
123.00880	8.0
124.01653	2.5
125.02444	24.3
127.00349	1.1
136.98796	0.9
137.02429	8.3
137.75162	0.9
139.00362	4.1
140.01134	3.7
146.56635	1.0
151.00349	2.9
153.09171	1.4
154.09671	0.8
161.04622	1.3
167.03426	1.6
168.00652	13.1
169.01422	37.5
170.01810	1.9
179.07169	2.2
211.02473	52.7
212.02800	3.3
220.89789	0.9
221.11792	1.7
241.03703	1.2
263.07608	1.5
265.07089	1.2
271.04565	100.0
272.04892	6.1
281.08887	1.2
295.08115	1.8
313.05551	1.0
331.06680	9.7
401.10803	31.4
402.10904	4.6
402.20395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.5
57.03453	1.8
57.25544	1.6
59.01377	20.5
61.98829	31.4
66.03482	4.5
69.60571	10.2
71.01372	24.8
72.99302	4.1
73.02940	11.4
75.00869	1.9
76.68884	2.0
83.01380	5.5
85.02946	13.7
87.00874	55.1
89.02451	5.5
89.07319	1.8
93.83942	1.8
94.98088	5.6
95.01400	3.4
96.96017	4.2
97.02930	2.1
99.00865	2.4
101.02445	17.8
109.02950	2.6
111.00878	2.6
113.02451	10.4
121.03011	3.8
123.00883	8.3
125.02460	9.9
131.03491	3.2
135.04547	3.6
137.02417	5.0
138.03273	2.2
139.00386	2.1
147.04485	2.4
149.02417	4.2
151.00342	5.1
151.03987	4.2
152.03476	2.0
153.05511	3.3
161.02429	5.5
161.04523	2.7
163.03983	20.1
164.04762	14.3
165.01892	2.0
165.05467	5.1
166.02745	9.6
168.00603	2.5
169.01375	9.7
175.03993	4.4
176.04747	11.2
177.01833	3.3
177.05618	1.9
178.06355	16.9
179.03517	11.8
179.05667	3.4
179.07109	30.6
180.07484	2.5
181.05078	11.5
187.04028	3.4
191.03500	18.2
191.07124	5.8
192.04227	4.8
193.04953	8.9
193.08682	5.0
194.05920	9.9
195.03029	2.7
195.11383	15.9
203.03520	7.6
204.04265	2.4
205.05077	9.3
206.05835	8.6
207.06689	4.2
208.07294	3.5
209.08121	11.5
211.02452	5.4
218.05946	2.5
219.02925	4.4
221.04581	2.5
221.08171	6.1
222.05092	1.9
224.03151	2.2
234.05363	3.0
235.06013	3.5
236.06944	2.4
237.07651	6.1
238.04822	3.3
239.10374	21.5
247.02440	5.6
247.06271	3.1
249.07669	5.2
250.04849	2.5
251.09361	3.2
262.04816	10.5
265.07159	59.3
266.07535	6.4
271.04620	11.6
273.31680	1.9
277.07172	25.7
278.07483	2.3
295.08243	76.6
296.08621	5.9
303.05096	2.8
325.09277	3.4
355.10355	17.4
383.09793	6.9
401.10870	100.0
401.18057	22.3
402.10651	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.4
60.79288	2.1
68.99767	2.7
69.64651	5.5
69.65063	5.7
71.01369	11.6
72.99318	4.7
73.02946	6.2
73.80820	2.0
75.00867	2.4
76.06763	2.0
83.01418	2.4
85.02950	9.4
87.00880	69.4
89.02467	9.5
93.40381	1.7
94.13229	1.6
101.02420	6.0
104.88675	2.1
108.02132	3.3
109.02976	5.4
113.02462	6.2
119.03505	2.7
123.00865	6.0
125.02424	7.4
131.03563	2.2
149.02565	4.1
151.00398	5.8
151.04001	3.6
152.01131	2.7
153.05586	2.8
161.02414	5.3
163.04022	12.0
164.04756	14.3
165.01952	3.4
165.05455	5.7
166.02719	11.3
169.01427	7.3
175.03984	5.0
176.04799	9.6
177.01929	3.4
178.06310	12.4
179.03517	12.3
179.05664	2.3
179.07118	34.8
181.05139	10.6
189.53609	2.0
190.02637	2.1
191.03607	13.4
191.05309	9.9
191.07053	3.6
192.04164	2.1
193.05045	8.3
194.05864	13.5
203.03444	4.3
205.05060	5.1
206.05823	3.1
207.02989	2.4
207.06612	3.7
209.08208	15.7
211.02435	7.4
219.02910	3.9
221.04587	3.3
221.08218	5.4
222.05370	2.9
237.07726	5.0
246.05240	2.3
247.02509	4.1
247.06172	3.1
249.07655	3.7
261.07883	2.5
262.04794	7.4
265.07150	69.0
266.07550	5.2
271.04626	9.1
277.07101	15.6
279.08725	2.2
295.08218	42.0
296.08557	4.5
325.09250	13.0
341.10825	8.8
342.11108	2.5
355.10269	12.6
383.09912	4.2
401.10883	100.0
402.11267	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	401.0876
Annotation	2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
59.01382	2.3
61.98818	1.5
65.25800	0.8
70.52959	1.1
70.53290	1.5
71.01371	1.4
75.00899	0.8
76.06609	0.9
76.54313	0.7
89.02376	0.8
96.96024	1.0
108.98174	0.8
109.22233	0.8
121.02951	100.0
122.03286	4.6
125.02426	3.3
137.02438	0.8
161.85236	0.8
169.01384	2.5
180.05746	1.6
181.06575	7.7
225.05568	6.7
226.05725	1.1
313.07147	29.7
314.07541	3.0
357.06107	12.3
358.06421	1.1
401.08704	24.4
401.14230	1.6
402.08878	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	401.0275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75746	0.6
59.01378	24.2
61.98826	2.0
69.17142	1.9
69.17560	5.0
71.01349	0.6
92.95273	0.5
94.07054	0.7
98.19831	1.2
99.08190	0.5
102.28297	0.5
115.02496	1.8
117.00457	7.2
141.00410	1.9
156.98384	0.8
159.01472	11.6
159.81061	0.6
160.01595	0.8
174.99490	7.4
175.99602	1.0
198.91887	1.4
198.99487	7.2
199.99557	0.9
201.02554	5.0
215.02527	1.0
217.00520	24.7
218.00629	3.2
231.00694	0.8
232.29958	0.6
232.98602	2.9
241.00513	6.7
242.00647	1.4
256.98401	1.1
258.05020	0.6
259.01566	31.5
260.01724	6.5
273.01669	4.8
274.01807	0.9
274.99588	22.9
275.99692	6.2
298.99567	2.4
299.99634	0.6
301.02530	0.8
315.02780	7.4
316.02866	2.6
317.00623	52.7
318.00711	13.7
341.00742	1.8
342.00455	1.0
357.03711	6.3
358.03964	1.8
359.01691	47.8
360.01855	12.0
383.01620	5.3
384.02252	1.1
401.02750	100.0
402.02890	29.7
410.09509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32236	0.6
54.87241	0.6
55.01880	0.7
57.03441	1.9
59.01377	28.8
62.09314	0.6
67.01879	1.5
69.03445	1.3
71.01382	8.0
72.99298	2.4
73.02940	2.1
74.94728	0.8
75.00873	7.9
77.02674	0.5
79.01897	1.2
79.95747	0.9
83.01383	1.9
85.02942	7.0
86.78812	0.6
87.00873	1.6
89.02444	1.8
95.01395	2.2
96.96008	70.1
97.02967	1.5
99.00867	2.1
101.02452	4.0
107.01375	8.3
111.00868	3.6
113.02426	3.3
123.00864	9.6
124.01692	1.1
125.02444	38.6
126.02788	1.0
127.00360	0.7
129.01950	2.4
133.02956	3.7
135.04504	1.0
136.98764	1.1
137.02487	0.7
139.00352	4.0
139.07706	0.6
140.01132	2.8
141.01962	1.3
151.00356	6.9
159.02982	2.2
161.02440	10.6
167.99365	0.7
168.00642	2.6
169.01421	61.3
170.01778	1.9
177.04039	24.8
178.04373	1.3
179.03464	1.0
193.60777	0.6
211.02356	1.8
219.10307	1.0
227.12823	0.6
229.17982	1.2
247.03346	0.6
249.06189	0.9
259.10205	0.7
259.19086	0.9
263.07645	0.7
268.10437	1.6
271.04636	0.8
316.05963	0.6
319.12790	0.6
319.21243	6.1
329.05063	7.7
337.16809	3.7
339.14734	4.0
347.93692	0.6
399.12827	100.0
399.17041	37.2
400.13190	15.3
400.17410	3.3
406.65244	0.6
422.13614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39423	0.6
53.50145	0.6
54.50266	0.6
57.03424	1.6
59.01379	23.2
62.84000	0.5
67.01884	1.1
69.03434	1.6
69.25195	2.0
69.25627	3.0
71.01009	0.8
71.01383	9.3
72.99300	1.3
73.02933	1.7
75.00543	0.6
75.00871	6.4
76.26897	0.5
79.01876	1.2
83.01360	1.4
85.02951	6.8
87.00864	1.7
87.04483	0.7
89.02418	2.3
95.01360	1.7
96.96012	33.2
97.02955	0.7
99.00854	2.4
101.02451	4.6
103.03954	0.5
105.58842	0.5
107.00728	0.7
107.01392	8.3
109.99995	0.6
111.00876	2.6
113.02462	2.7
115.00381	0.7
119.03497	0.7
123.00107	0.8
123.00884	8.1
124.01671	1.7
125.02443	37.3
125.36657	0.5
126.02728	1.5
127.00338	1.0
129.01915	3.0
133.02921	2.3
136.98788	1.5
137.02454	1.0
139.00366	4.8
140.01120	2.3
141.01900	1.7
151.00368	7.1
151.15820	0.5
153.01871	0.8
154.99872	1.0
159.02939	2.0
161.02420	9.6
161.04510	0.8
168.00626	2.4
169.01414	59.0
170.01711	1.6
171.02899	0.6
177.04036	20.0
178.04449	0.6
211.02455	2.6
229.17937	0.7
234.71895	0.5
245.81093	0.6
247.03593	0.6
249.06172	1.2
251.11359	0.8
263.07745	0.7
268.10406	1.7
271.04556	0.7
302.56052	0.5
306.46216	0.5
319.21310	2.9
329.05115	7.0
330.05563	0.7
337.16888	1.7
339.14865	0.8
378.68741	0.5
399.12766	100.0
399.17004	13.0
400.13086	13.5
400.17203	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1295
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
51.59238	0.4
55.01861	0.6
57.09866	0.5
59.01379	9.4
65.00307	0.5
66.90883	0.5
67.01891	0.7
68.99831	0.4
69.50428	3.3
71.01381	5.9
72.99319	1.4
73.02914	0.6
73.27621	0.4
75.60162	0.4
79.01904	1.2
83.01407	0.9
85.02959	1.5
87.00846	0.8
89.02444	4.0
95.01392	1.8
96.95990	1.5
97.02921	0.8
99.00888	1.7
101.02439	2.9
102.54942	0.4
107.01397	3.6
111.00890	2.4
113.02451	2.2
118.95380	0.5
119.03449	0.8
122.99991	0.9
123.00892	16.5
124.01695	1.8
125.02453	16.8
126.02769	0.6
127.00317	0.8
136.98802	1.7
137.09752	0.4
138.80820	0.4
139.00372	6.9
140.01192	3.4
141.01939	1.6
151.00368	11.3
152.00684	0.9
153.01962	0.6
161.04536	0.5
168.00647	4.7
169.01422	18.7
170.01741	1.3
177.04131	0.6
179.03412	0.5
211.02498	1.5
221.28784	0.5
237.07736	0.5
248.60927	0.4
271.04556	1.9
313.05835	0.8
399.12924	100.0
400.13293	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	399.1296
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
50.43857	0.9
51.84491	0.7
55.01873	1.5
57.03438	2.2
59.01381	16.2
67.01877	0.9
68.99795	0.8
69.03426	2.7
69.19948	6.4
69.20365	2.2
71.01384	10.2
71.05003	0.9
72.99298	1.5
73.02937	3.9
75.00886	4.7
79.01834	0.9
79.95745	0.8
81.06499	0.8
83.01357	1.6
85.02946	8.3
87.00872	3.3
88.92287	1.1
89.02451	3.4
93.03429	1.1
95.01388	2.2
96.96009	16.7
97.02959	1.0
99.00872	2.5
101.02460	6.3
107.01399	6.7
107.89958	0.8
111.00864	3.1
113.02428	4.1
115.00372	0.9
119.03438	1.0
121.02931	1.5
123.00890	10.3
124.01692	1.2
124.71699	1.1
125.02449	34.9
129.01923	3.2
136.98743	1.2
137.09702	1.2
139.00320	2.8
140.01135	2.1
141.01961	1.5
151.00360	5.5
153.01878	1.2
156.51157	0.8
159.02979	1.4
161.02386	2.2
161.04510	2.5
168.00626	3.6
169.01424	57.9
170.01758	2.1
175.02449	0.9
177.04045	22.8
211.02390	2.3
219.10257	2.3
237.11278	2.1
251.11363	6.4
268.10416	1.2
319.21292	2.5
329.05118	7.2
392.47839	0.9
399.12839	100.0
400.13086	13.5
400.17273	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3317
Annotation	Lauroyl peroxide
Peak:m/z	Relative Intensity
50.78222	1.4
77.53387	1.4
96.96024	7.0
149.33386	1.4
170.16635	1.5
175.93556	1.5
200.21587	1.3
274.39804	1.4
289.26398	2.0
335.33148	63.9
336.33591	9.8
342.35782	1.4
379.32184	15.8
380.32550	3.0
397.22479	9.2
397.33206	100.0
398.33591	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0719
Annotation	Theaflagallin
Peak:m/z	Relative Intensity
57.03448	1.3
57.06731	0.8
59.01378	8.9
62.95066	0.9
66.53015	0.9
69.03459	1.2
70.87946	0.9
71.01375	4.9
71.55620	1.3
75.00888	0.9
81.03444	1.0
81.52234	1.0
83.01418	1.6
85.02954	2.4
87.00856	1.4
89.02462	2.4
93.19213	1.0
95.05003	1.0
96.95996	3.9
97.02952	2.5
101.02436	2.0
107.23084	0.9
109.02946	1.5
111.00871	1.5
111.08138	0.9
113.02431	1.5
116.75799	0.9
121.02955	30.7
121.06572	1.3
123.00872	4.2
125.02445	13.5
131.05028	3.9
133.06590	1.9
134.03598	1.1
135.04523	27.6
136.04814	1.7
137.02426	6.7
139.00368	2.1
149.06096	1.7
151.00360	2.7
159.04532	10.6
161.02414	1.7
161.06046	2.8
163.04018	4.8
165.01923	12.4
166.02293	1.3
168.00636	2.6
169.01389	7.4
173.08134	1.4
175.03983	2.7
187.04001	39.7
188.04495	5.2
189.05516	3.0
190.02707	1.6
191.03403	1.1
199.03978	1.0
203.03545	6.9
204.04187	3.4
205.05025	19.7
206.05449	1.1
207.02916	4.6
215.03496	13.5
216.03935	1.9
219.03041	3.0
227.03464	2.2
231.03000	4.5
232.03493	2.7
233.04533	100.0
234.04871	8.1
237.09659	0.9
243.03030	1.3
245.04578	2.9
255.02902	1.8
259.02344	1.2
260.03143	2.2
261.04034	19.0
262.04309	1.9
273.04007	7.8
295.05933	2.8
313.07190	1.9
323.41425	0.9
337.07123	2.0
339.10876	4.6
355.08249	1.8
360.08551	1.3
368.00116	1.1
381.06339	4.4
399.07144	28.5
399.12851	32.3
399.20685	1.5
400.07465	4.4
400.13110	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1139
Annotation	4-sinapoylquinic acid
Peak:m/z	Relative Intensity
60.81723	0.7
67.77083	0.7
69.85452	3.5
81.03478	0.7
83.05000	0.7
85.02961	1.1
85.90910	0.6
93.03453	4.0
98.20658	0.9
110.80513	0.7
111.04538	3.7
117.03497	1.2
119.04998	1.2
121.02953	9.8
127.03972	0.7
132.02148	1.7
147.04529	5.9
149.02437	74.1
150.02777	4.9
155.03563	3.5
164.04794	54.1
165.05106	3.8
173.04565	5.4
179.07091	3.3
191.05579	5.5
223.06108	100.0
224.06442	7.4
305.64383	0.8
397.11380	4.5
398.12152	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03447	6.0
58.00581	0.8
59.01105	0.9
59.01378	13.5
59.40528	0.6
61.98809	1.8
67.01872	0.7
68.99824	1.0
69.03453	1.1
69.32210	0.6
70.99905	1.3
71.01382	24.5
72.99303	3.8
73.02950	3.3
75.00869	30.7
76.01208	0.9
78.95906	2.1
83.01395	3.4
85.02946	35.4
86.03288	0.8
87.00390	1.0
87.00874	8.2
89.02451	2.0
90.82360	0.6
94.52480	0.6
95.01395	3.8
95.01916	0.6
97.02943	1.1
99.00871	10.8
101.02442	8.7
103.85815	0.7
111.00861	0.8
112.01650	1.2
113.02441	29.8
114.02748	0.8
115.00385	2.5
117.01936	1.4
125.02402	1.8
129.01929	1.4
133.05019	0.8
144.06641	1.1
149.02338	1.0
152.99568	2.1
157.01434	1.5
161.04584	1.6
169.01410	1.5
171.00618	1.0
171.32390	0.6
175.02463	3.5
201.36989	0.7
221.10275	4.2
223.05995	0.8
235.07164	0.8
245.04335	4.4
271.35651	0.6
306.01862	0.6
337.11307	1.2
355.08289	0.7
393.54660	0.6
397.13483	100.0
398.13889	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	397.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35977	0.4
59.01374	0.4
67.01891	4.3
69.23707	3.0
70.85180	0.3
71.01395	0.4
72.99299	3.6
77.31497	0.3
83.01381	3.1
85.02949	16.4
86.03307	0.6
87.00883	0.8
96.96010	5.3
99.00901	0.9
101.02451	2.0
111.00880	100.0
112.01226	3.1
126.71372	0.3
129.01933	6.5
134.03769	0.7
137.02452	0.5
141.64647	0.3
145.56377	0.4
147.04523	0.3
149.02454	1.3
154.98589	0.7
154.99861	14.2
156.00223	0.5
164.04797	0.8
173.00908	26.1
174.01219	0.9
178.02681	0.3
191.10751	0.5
193.05086	0.8
193.12544	0.4
211.09398	0.3
214.21922	0.4
223.06125	0.8
257.37201	0.4
317.19800	1.0
343.12949	0.5
361.13934	0.6
397.15405	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	397.0926
Annotation	Piscerisoflavone E
Peak:m/z	Relative Intensity
57.03445	9.3
59.01380	1.4
66.20068	0.7
68.99810	5.0
71.10665	1.6
80.48720	0.7
83.01385	0.9
96.95998	1.2
108.57441	0.7
124.01669	5.9
125.02448	100.0
126.02791	4.5
137.02467	1.3
148.01656	1.5
149.02408	0.8
151.04095	0.9
160.01636	1.1
161.02420	1.3
171.08116	1.1
173.02423	4.1
174.03177	1.5
177.01944	3.4
181.06621	0.9
186.03154	0.8
187.04022	1.9
189.01930	4.9
195.04602	0.9
198.03204	1.7
199.04051	1.4
199.07678	1.3
200.01187	3.1
200.04764	1.4
201.01883	5.0
202.02719	2.0
202.67589	0.7
203.07114	1.9
209.06070	0.8
211.03996	1.8
215.03487	3.1
215.07129	2.5
216.00751	1.1
216.04202	1.6
217.01411	22.6
218.01799	1.9
218.66956	0.7
219.06636	1.7
225.05527	1.1
227.03461	1.8
227.07245	3.2
228.00673	9.3
228.04237	2.3
229.01360	5.7
230.02199	9.1
231.02808	0.7
231.06604	1.6
237.05482	1.1
239.03529	3.9
240.04158	2.0
241.08722	1.2
243.02956	3.4
243.06598	4.7
243.10181	0.9
244.03717	2.4
253.05070	2.7
254.05885	1.4
255.03061	1.2
255.10178	1.3
256.03824	7.7
257.04266	1.1
259.06125	4.3
265.08627	1.5
267.03012	2.9
268.03738	14.5
269.04379	1.5
271.06094	25.1
272.06448	1.7
281.04562	3.1
282.05237	4.0
283.02368	0.9
283.09677	1.2
285.03912	1.1
286.04810	0.8
287.09119	0.8
297.04108	1.1
298.04730	1.4
298.94037	0.7
307.09613	1.1
309.03897	1.8
310.04837	9.6
311.05588	1.5
311.09329	4.9
312.02716	0.7
325.10886	1.1
335.09070	0.8
348.57593	0.9
351.08743	2.1
353.10223	4.1
354.03796	24.4
355.03976	1.7
379.08243	2.8
397.09265	38.3
398.09540	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	395.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27797	0.2
59.01373	1.0
63.31683	0.3
70.49159	0.3
70.97742	0.6
71.01379	0.9
73.02972	0.3
78.95901	0.9
80.64111	0.3
82.44166	0.2
83.05065	0.3
87.27608	0.3
89.02435	0.3
90.24228	0.3
117.01945	0.6
135.03014	0.9
152.99571	2.0
181.47096	0.2
221.31548	0.3
233.22662	0.4
259.20615	0.5
273.60721	0.3
275.20193	0.3
277.21707	100.0
278.22067	11.7
283.15152	0.3
311.16904	0.8
395.24542	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	396.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01701	2.1
61.98832	15.4
65.09221	1.4
70.04746	3.5
70.05168	2.0
71.01381	1.7
96.96040	2.2
114.95121	1.2
152.07416	1.0
186.32690	1.4
211.32632	1.1
388.09741	1.2
396.24564	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99451	43.7
66.91830	36.6
72.78825	40.1
77.94298	43.6
88.35374	37.5
93.57112	35.5
96.96001	100.0
120.92018	42.6
166.65164	40.8
237.52924	43.5
312.57455	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.6
60.99306	15.3
61.98820	5.4
69.18850	17.9
70.49178	1.8
71.01380	6.8
73.02947	2.6
83.05042	3.1
84.57571	2.0
85.02921	4.3
88.98811	100.0
89.02448	4.9
89.99144	2.3
91.88056	2.3
96.23842	2.0
96.95975	2.3
101.02428	3.9
109.02940	2.8
111.02029	4.2
113.02480	3.5
117.05553	2.9
123.02174	1.9
123.04517	2.2
125.02411	2.3
137.02428	3.1
142.30481	1.9
150.58228	1.8
151.04025	5.5
241.00504	2.0
265.56213	1.9
395.11221	2.9
395.15649	3.1
396.12466	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78153	0.9
52.61850	0.8
57.03448	1.7
59.01370	4.0
61.01014	3.1
68.99812	2.2
69.10277	0.9
69.16221	10.0
69.16562	1.9
71.01371	3.7
71.23180	0.8
72.99298	4.0
75.00870	3.0
75.02594	2.6
76.86446	0.9
78.95905	1.5
79.46278	0.8
83.01369	1.8
85.01019	3.1
85.02969	2.3
87.00885	1.4
87.04551	1.5
89.02449	1.7
96.96009	2.0
96.96986	1.7
98.00130	0.9
98.20640	2.4
99.00871	3.6
101.02431	3.9
103.00326	1.8
104.81532	1.0
109.02941	1.3
112.98814	5.5
114.98487	2.3
115.00375	1.1
115.02096	3.2
124.98808	2.8
127.02097	1.8
129.01984	1.3
129.03712	1.1
131.03552	1.9
142.99841	2.2
143.01610	1.1
145.01419	4.1
149.04530	1.1
153.01883	3.6
157.01451	3.8
157.03128	14.4
159.02950	1.2
163.09543	1.0
169.45456	1.1
171.01050	4.1
175.04178	8.7
187.02533	1.3
189.05777	4.6
217.05251	3.1
231.03262	1.6
231.91826	1.1
247.02664	3.7
263.05801	14.9
274.34326	1.1
303.05295	2.6
312.79166	1.1
363.07779	2.2
389.32571	0.9
395.10025	100.0
396.10477	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	392.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.3
60.01712	0.9
61.98830	100.0
63.61092	1.1
64.36796	0.9
66.76043	1.0
70.42003	2.3
70.42366	1.9
71.01387	2.7
73.02934	1.6
75.00874	1.0
83.01366	1.1
83.73524	0.9
85.02969	1.8
96.95979	1.1
98.20570	1.0
99.00903	1.1
101.02425	1.1
113.02396	1.1
123.04534	8.7
125.02419	5.4
151.00424	1.0
165.05667	1.0
167.03494	28.3
168.03821	1.2
169.01389	4.5
181.05026	1.3
191.03479	7.3
209.04459	2.8
249.06108	2.2
261.13409	1.5
269.55783	1.0
317.03983	1.4
329.08759	14.6
330.09198	2.1
334.00940	0.9
334.31772	1.0
345.31564	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26458	4.7
59.01370	18.4
61.98833	100.0
62.12133	4.7
62.68768	4.7
71.18363	10.2
85.02978	4.7
90.06946	4.4
96.96033	7.0
100.24512	4.3
100.60138	5.1
103.58162	6.1
125.02463	12.6
169.01347	7.3
173.21024	4.5
176.28018	5.3
176.32603	4.7
202.77930	4.6
226.05101	8.8
251.57698	5.1
314.96848	5.0
316.61761	4.3
374.26477	6.6
392.07687	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	393.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02134	21.0
57.89099	17.0
62.96110	18.4
70.04420	100.0
96.96013	34.5
141.76239	19.9
287.71503	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	392.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.3
61.98830	100.0
70.60798	1.1
71.01378	0.4
95.09793	0.4
107.92266	0.3
123.04539	1.5
125.02494	1.2
167.03502	5.5
194.10068	0.4
205.47066	0.5
237.99855	0.4
329.08841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
56.44856	0.7
57.03445	1.6
58.00586	0.9
59.01380	100.0
59.73991	0.6
60.01721	1.7
61.98828	2.9
62.93407	0.6
68.53445	0.7
70.66029	2.1
71.01383	19.2
71.05028	0.8
72.99292	1.0
73.02936	11.5
75.00858	1.1
83.01376	3.8
85.02946	6.3
87.00892	1.4
87.04530	0.8
89.02444	14.2
95.01413	2.3
96.96041	2.0
97.02968	0.8
99.00901	1.6
101.02440	17.0
108.02153	0.9
109.02966	0.7
109.22647	0.7
113.02446	8.2
119.03500	5.7
120.29500	0.6
123.00890	1.6
123.04456	1.2
125.02460	3.1
131.03442	0.9
143.03535	2.2
147.00909	0.8
149.04599	0.8
150.03148	0.8
161.04568	5.0
167.10841	0.8
169.01447	2.0
179.05589	3.2
187.13339	6.2
188.13582	0.7
195.06586	0.9
203.44942	0.7
239.02191	1.0
243.12416	2.4
249.06256	0.7
287.09296	2.1
317.10461	2.0
331.17627	2.7
343.11923	1.0
349.18607	13.6
350.19186	1.0
391.15530	1.0
391.19720	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08235	1.2
55.01880	2.2
57.03443	1.7
59.01378	100.0
60.01700	1.5
65.00321	3.9
65.60126	1.2
67.01881	1.8
71.01385	10.7
71.55315	1.8
73.02945	5.3
75.00892	1.3
78.95877	1.4
83.01389	3.7
85.02940	10.6
85.36704	1.6
87.00835	2.1
89.02457	7.0
93.03484	11.1
95.01379	2.3
96.96015	8.7
97.03013	1.6
99.00902	2.9
101.02435	8.7
107.01388	5.7
108.02193	10.3
109.02943	18.4
109.06541	1.4
111.00883	7.5
113.02449	5.2
119.03511	2.6
123.00893	9.3
124.01675	6.4
125.02439	15.7
127.00363	2.0
134.04720	1.6
136.98810	3.7
137.02446	28.2
137.09723	2.0
138.02751	2.2
139.00365	5.6
139.11275	3.8
140.01183	7.6
140.02092	1.3
151.00365	20.4
151.04015	1.5
161.04466	3.1
163.00343	1.7
164.01178	1.5
168.00638	22.4
169.01414	15.8
172.57373	1.3
176.03645	1.4
178.99855	9.3
179.05486	1.5
180.00169	1.6
183.10295	3.9
199.68245	1.4
214.02667	1.9
225.11386	1.5
229.05078	4.4
242.02094	1.7
243.02924	3.2
243.12338	15.4
259.02521	2.2
270.01682	2.9
271.02466	12.2
272.02805	1.9
281.06644	21.2
287.01901	9.0
288.02563	2.2
297.06085	3.0
313.02219	2.3
313.05652	24.6
314.05984	4.6
315.04395	40.5
315.54504	12.6
316.02170	29.4
316.05521	2.1
317.02991	43.0
318.03232	6.1
332.63602	1.4
336.86194	1.6
391.10431	23.3
391.15759	4.2
391.27112	4.2
392.10651	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	391.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56717	1.2
57.03436	2.2
59.01379	100.0
65.00328	3.9
67.01891	1.4
67.94913	1.2
69.09498	1.3
69.20346	4.5
69.20770	7.2
71.01375	7.5
72.99297	2.3
73.02949	7.2
83.01374	4.1
85.02946	5.7
87.00869	3.2
89.02444	4.8
93.03460	3.9
95.01390	2.7
96.96013	6.4
101.02444	6.1
107.01432	6.6
107.02023	1.5
108.02164	4.6
109.02966	6.9
111.00876	5.7
112.01254	1.4
113.02451	3.3
115.43397	1.0
119.03477	2.9
119.05035	1.6
121.02921	1.9
123.00887	7.5
124.01678	4.0
124.29547	1.2
125.02444	9.6
125.09671	1.2
134.04660	1.8
136.98820	2.4
137.02444	10.8
137.09799	1.1
138.02835	1.3
139.00354	4.7
139.11269	19.2
140.01151	5.2
143.04977	1.3
145.02927	3.9
151.00362	22.4
152.00790	1.6
161.04634	1.6
161.05980	1.4
163.11362	1.3
165.05515	1.1
168.00630	14.2
169.01405	10.7
175.02657	1.3
178.99857	6.6
181.12358	10.5
182.12527	1.7
183.10237	27.8
184.10579	2.6
185.06055	4.4
186.06390	1.4
190.99861	1.4
199.13452	6.7
225.11296	8.1
229.05048	39.8
230.05386	3.9
243.03137	1.8
243.12346	93.0
244.12755	7.7
270.01669	1.9
271.02377	13.3
281.06451	7.8
287.01862	5.8
288.02350	1.6
297.05972	3.5
313.05630	17.7
314.05884	2.5
315.04343	36.3
315.54492	9.8
316.02048	18.7
317.02948	33.3
318.03265	3.7
345.07639	1.6
391.10428	10.6
391.16049	21.5
391.26971	3.8
392.16217	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
70.38392	68.8
74.92563	17.8
78.41372	18.4
90.95202	17.8
98.20495	20.6
106.36628	17.3
178.45850	18.7
320.16714	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	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94261	2.5
59.01375	11.6
61.98830	100.0
70.82080	3.1
71.01409	2.7
92.03484	2.4
93.68956	2.1
94.96581	2.4
95.49284	2.2
96.96000	2.6
122.51723	2.4
125.02491	4.6
169.01443	2.7
223.13342	3.7
280.77670	3.1
292.71689	2.4
317.02991	2.9
391.04178	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	391.1036
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
57.03438	1.1
59.01378	23.5
59.96941	0.5
63.02386	0.8
64.23650	0.5
65.00330	6.3
69.41872	0.8
69.42278	3.9
71.01381	3.2
73.02931	2.8
79.37016	0.6
83.01394	4.3
85.02953	1.9
87.00890	1.6
91.23827	0.6
93.03437	1.7
95.01370	0.7
96.96012	1.5
98.87354	0.6
101.02441	1.4
105.29108	0.6
107.01393	8.2
108.02188	1.0
109.02934	1.3
111.00863	1.6
113.02409	0.8
119.05044	3.1
121.02959	2.0
123.00888	2.1
123.04411	0.6
124.01661	0.8
125.02465	4.6
134.04718	0.8
137.02440	3.1
139.00375	0.6
139.11287	14.3
140.01122	1.3
143.05032	4.0
143.22498	0.5
145.02950	10.3
146.03278	0.7
147.02975	0.9
149.02423	0.5
150.03209	0.8
151.00366	21.0
152.57335	0.5
161.04643	0.9
161.06055	3.3
161.35617	0.5
165.09181	0.7
168.00595	3.3
169.01442	2.8
178.99850	1.4
181.12329	6.6
183.10246	15.1
184.10626	0.9
185.06047	7.3
187.13615	0.6
199.13383	3.3
214.02705	0.6
217.14430	1.0
221.80061	0.5
225.05515	1.4
225.11276	3.3
229.05037	100.0
230.05380	7.7
243.12354	56.6
244.12750	3.5
253.05064	1.6
259.02365	0.9
271.02429	1.8
271.06094	1.8
281.06650	2.1
287.01981	1.6
297.06165	1.0
313.05688	2.8
314.05756	0.6
315.04364	11.0
315.54446	4.4
316.02094	4.5
317.02869	5.0
331.17740	0.7
391.05756	0.9
391.10410	5.9
391.16071	13.6
392.10748	1.2
392.16418	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1815
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03434	3.6
59.01382	46.3
62.11138	1.9
64.49139	2.5
68.02530	5.8
70.00433	2.2
70.72639	7.2
71.01376	14.5
73.02931	5.4
85.02968	4.3
89.02444	6.7
96.96023	6.4
96.98553	2.3
101.02457	17.8
109.22632	2.3
111.08161	3.9
113.02466	6.2
121.90220	2.2
125.02469	4.0
126.99556	12.1
133.12193	2.2
150.36172	2.1
161.04590	2.7
165.12856	34.9
166.13200	4.4
167.10788	34.6
169.09694	2.4
183.13896	85.4
184.14258	5.0
207.13725	3.6
209.11737	5.7
227.12883	100.0
228.13191	4.9
251.12910	13.4
269.13840	6.3
272.56052	2.2
329.16083	4.2
329.23627	4.6
347.24249	7.2
381.22137	2.5
389.16721	3.7
389.25391	16.6
390.05307	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	100.0
71.52114	97.8
94.70010	62.5
124.50372	56.2
154.02196	68.0
189.80374	57.8
256.30295	61.9
326.96161	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	100.0
71.52114	97.8
94.70010	62.5
124.50372	56.2
154.02196	68.0
189.80374	57.8
256.30295	61.9
326.96161	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37743	21.8
59.01361	100.0
63.46290	20.9
64.72249	25.4
71.51948	31.0
71.52374	35.8
123.54768	23.9
274.18878	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.1
57.03440	0.9
58.00595	0.4
59.01378	6.8
69.03452	0.4
71.01379	3.7
71.05016	0.2
71.53926	0.1
72.99306	0.5
73.02940	0.7
81.03502	0.1
83.01376	0.2
83.05035	0.3
85.02955	1.6
87.00880	0.3
89.02446	3.4
90.02803	0.1
95.01409	0.6
95.05047	0.1
96.34367	0.1
96.96008	10.7
97.06588	0.4
101.02448	2.0
102.02798	0.1
109.06592	0.1
111.08156	1.5
113.02449	3.3
116.07182	1.6
119.03519	0.6
125.02424	0.2
131.03506	0.1
143.03499	0.2
149.04655	0.1
153.09210	0.1
161.04567	0.6
163.11246	0.2
165.12837	24.7
166.13167	1.9
167.14398	0.4
169.01466	0.2
177.12923	0.1
179.05577	0.5
179.14410	0.2
181.12331	0.4
183.13889	84.4
184.14235	6.2
191.10751	0.3
195.13928	0.4
196.14111	0.2
197.15469	2.1
198.15761	0.2
207.13872	1.6
208.14214	0.2
209.11807	2.9
210.12004	0.2
225.14951	1.5
227.12872	100.0
228.13197	8.9
241.14449	0.3
249.14479	0.1
251.12872	3.4
252.13248	0.3
263.12781	0.2
269.13919	1.7
270.14337	0.1
281.13959	0.2
293.13934	0.6
308.84683	0.2
310.20187	1.2
329.16101	0.2
329.23361	0.2
347.24240	0.7
389.18109	1.8
389.25452	1.6
389.30042	0.1
390.15689	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	389.181
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03437	4.0
59.01376	16.7
66.64291	1.0
69.03451	1.3
70.84728	0.9
71.01378	11.1
71.05016	1.6
71.31776	1.2
71.32118	1.3
73.02943	7.9
85.02956	5.2
87.00881	3.2
87.04491	2.8
89.02436	5.5
95.01389	2.1
96.95995	2.7
97.06586	1.3
101.02451	6.5
106.25706	0.9
111.08178	2.3
113.02449	8.8
119.03490	2.1
125.02502	1.0
126.28630	1.0
129.01862	1.2
143.03485	1.2
153.09224	1.4
155.10701	1.5
161.04543	3.6
165.12848	21.5
166.13118	1.9
169.01425	2.0
171.10193	1.2
179.05664	1.4
183.13889	73.0
184.14258	5.3
185.11855	1.7
195.14041	0.9
197.15526	1.9
199.06163	1.1
201.11429	1.2
207.13847	1.8
209.11847	2.5
225.15007	1.8
227.07184	5.6
227.12871	100.0
228.13229	6.9
241.14256	1.4
243.15990	2.0
251.12894	4.4
269.13998	2.3
293.13965	1.3
314.05460	1.2
359.24362	1.0
371.24216	1.9
389.17947	2.9
389.25421	54.8
390.26065	5.5
390.30283	0.9
394.09378	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1453
Annotation	Reptoside
Peak:m/z	Relative Intensity
55.01876	5.8
57.03439	6.4
58.00590	3.7
58.99601	2.3
59.01381	90.8
61.98816	3.7
69.30580	17.1
71.01384	84.0
72.99307	4.9
73.02947	16.3
75.00873	2.7
82.20572	1.8
83.01389	12.3
85.02958	38.2
87.00874	6.9
89.02440	49.1
94.03017	2.1
95.01392	5.5
96.96020	3.9
98.20670	3.7
99.00852	6.7
101.02446	61.6
106.06605	2.1
109.02935	4.0
111.00877	2.6
113.02448	30.2
119.03499	27.7
123.00889	8.0
125.02427	10.4
129.01912	2.2
131.03482	4.5
132.04546	7.5
133.05385	2.1
137.02440	42.1
137.03490	2.2
139.00372	4.9
140.01161	4.7
140.90062	2.1
143.03494	3.2
149.04549	3.0
149.09689	7.9
151.00325	4.5
152.04787	20.1
153.05560	4.5
159.02925	2.3
161.04558	10.7
165.04283	2.1
165.05602	2.5
165.12852	7.1
166.03326	5.9
167.07127	4.5
168.00700	3.7
169.01448	12.1
179.03416	4.3
179.05600	5.3
184.03729	6.1
194.05811	5.0
197.04530	2.7
205.03441	2.5
209.08185	10.5
209.11810	18.2
211.02368	2.8
212.06889	29.1
213.07166	2.2
227.09258	100.0
227.12750	3.0
228.09537	7.3
237.06125	6.8
260.45135	2.4
301.12039	3.3
345.11090	10.4
389.10684	51.4
389.14532	47.1
389.18506	18.2
390.10620	2.3
390.15079	5.4
390.19214	2.5
411.24945	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48626	0.4
55.01868	0.9
59.01381	6.0
67.01878	1.1
68.99854	0.4
71.01381	6.2
72.99310	0.7
73.02958	2.5
79.01907	1.5
83.01389	1.5
85.02949	4.0
87.00917	0.7
87.85834	0.4
89.02440	1.3
95.01402	2.4
97.02939	0.6
98.19933	1.2
99.00881	0.7
101.02438	5.2
103.21606	0.5
107.01390	3.6
110.00054	0.5
111.00867	2.2
113.02467	2.5
123.00886	15.9
123.98097	0.4
124.01691	1.8
125.02448	16.5
127.00343	0.8
129.82317	0.4
136.98810	1.9
139.00363	6.0
140.01189	3.0
141.01939	1.4
151.00363	13.1
152.00662	1.0
153.01852	0.8
158.52858	0.4
161.04463	0.7
162.07584	0.4
168.00621	3.3
169.01421	21.5
170.01779	0.9
211.02527	0.8
277.45193	0.5
291.57159	0.4
301.78351	0.4
313.05661	2.2
389.10886	100.0
390.11215	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	389.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02414	0.8
53.24004	0.7
55.01865	1.0
57.03443	0.9
58.00573	1.3
59.01381	34.5
61.98827	5.8
65.13734	0.6
67.01910	1.3
69.76273	3.6
71.01382	24.0
72.99321	3.3
73.02946	2.4
79.01886	1.5
83.01392	3.5
83.20052	0.7
85.02951	10.7
87.00883	1.8
89.01925	1.3
89.02447	21.4
95.01377	3.1
96.96008	1.5
97.02949	0.9
99.00900	1.4
101.02442	15.8
107.01366	4.1
109.07836	0.7
110.00121	1.0
111.00884	3.0
112.98806	1.0
113.02466	8.2
119.03506	8.3
121.02986	1.3
123.00895	16.5
124.01683	1.3
125.02448	19.9
127.00350	1.2
131.03476	1.2
136.98784	1.9
137.02419	2.7
139.00365	6.4
140.01161	4.2
141.01944	2.5
145.01367	0.8
147.57509	0.8
149.04536	0.9
151.00371	13.1
151.04012	1.3
153.01945	1.0
153.05515	0.9
154.99942	1.2
161.02417	3.3
161.04506	1.8
163.03905	0.8
167.03539	0.8
168.00647	5.2
169.01430	26.1
170.01799	1.3
170.15823	0.8
176.04779	2.1
176.40891	0.7
179.03465	4.8
179.05684	1.0
191.05577	1.3
191.07170	1.3
194.05859	5.9
195.06183	0.8
197.04556	1.7
205.03468	1.1
209.04991	0.8
209.08202	16.4
209.11734	1.6
210.08566	1.1
211.02452	4.9
212.06923	1.2
227.05595	2.6
227.09215	3.9
237.06119	0.8
269.19000	0.7
284.00589	0.8
286.80463	0.7
297.06201	0.7
313.05698	1.3
325.02121	0.9
325.77777	0.7
389.10873	100.0
389.18588	2.8
390.11176	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	389.1088
Annotation	Sagitol
Peak:m/z	Relative Intensity
55.01858	1.3
57.03468	1.0
57.43755	0.8
59.01379	14.9
61.98828	7.3
67.01897	1.1
70.07091	2.8
71.01379	11.1
72.99323	0.9
73.02946	3.3
75.00883	0.9
78.95949	0.9
79.01905	0.9
81.03473	1.0
83.01387	3.0
85.02944	5.3
87.00871	6.1
89.02445	5.3
95.01402	3.3
98.19875	1.1
99.00845	1.1
101.02444	7.9
107.01385	4.5
111.00903	2.4
113.02463	3.7
119.03515	1.6
123.00874	15.7
124.01726	1.5
125.02446	34.8
126.02734	1.3
127.00373	0.9
129.01952	2.1
136.98824	1.7
139.00356	6.3
140.01126	5.1
141.01910	1.4
151.00380	13.4
153.01971	1.1
168.00633	4.8
169.01419	66.7
170.01749	3.0
183.06613	1.0
185.02586	0.8
209.11867	1.2
211.02472	4.0
237.06363	0.9
241.03542	14.8
271.04675	1.4
301.05643	27.6
302.06027	2.4
313.05740	1.8
371.06058	4.9
380.43158	0.8
389.07391	5.7
389.10965	100.0
390.07013	1.3
390.11273	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	389.091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33769	0.8
55.01870	0.9
57.03427	2.6
58.00576	3.1
59.01379	74.8
69.59914	5.5
71.01382	46.8
72.99297	3.9
73.02945	43.7
79.95712	1.5
83.01379	3.4
85.02942	12.3
87.00851	1.8
87.04514	41.1
88.04840	1.5
89.02445	61.0
89.06082	66.6
90.06432	1.7
95.01373	2.8
95.95173	0.9
96.96033	2.3
99.00864	1.4
101.02442	26.2
111.00874	1.0
111.08140	1.7
113.02458	18.9
119.03500	21.0
119.05017	4.2
121.02958	49.4
122.03295	1.9
125.02439	3.6
125.09740	1.9
131.03479	4.2
137.02446	2.5
139.00363	1.6
143.03482	3.8
145.02963	3.4
147.04512	4.7
149.04634	1.9
151.00664	4.4
151.03978	4.1
152.04814	1.3
153.09216	7.9
155.10748	1.6
161.04530	8.6
161.05933	1.9
162.03117	1.0
163.03978	7.3
165.01932	1.3
169.01360	3.4
171.94350	0.9
173.06175	1.1
174.03177	5.4
175.03990	18.7
175.07640	1.0
176.04683	6.4
177.05466	2.5
179.05585	7.8
180.04276	7.7
188.04797	3.6
189.05580	6.5
190.06348	19.0
191.07126	14.5
192.04240	1.7
192.07332	1.4
193.04984	7.1
194.05841	5.8
201.11238	1.6
203.07083	2.3
205.08672	14.5
207.06599	5.5
208.07382	8.6
209.15411	7.3
222.08881	1.1
223.09673	2.0
227.16542	1.0
237.07674	100.0
238.07985	10.1
259.02325	1.0
359.14938	2.2
359.24435	2.2
371.24454	1.5
374.13739	2.0
389.08920	4.4
389.16177	28.8
389.21576	4.7
389.25638	28.2
390.16357	4.2
390.25757	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93842	3.2
55.21563	2.9
59.01373	10.8
61.98829	100.0
66.39304	2.9
89.74829	2.7
95.20234	2.6
99.00896	2.7
104.82975	3.7
145.25365	2.6
378.29373	3.5
389.11383	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	389.0725
Annotation	Mucic acid dimethyl ester 2-O-gallate
Peak:m/z	Relative Intensity
54.19653	0.6
57.03453	1.4
58.50305	0.6
59.01377	7.2
61.52507	0.6
61.98827	1.4
67.01899	0.7
69.03439	0.8
69.57638	4.2
71.01379	7.4
72.99322	0.7
73.02954	1.5
79.01901	1.4
83.01391	2.0
85.02948	3.9
87.00881	9.9
89.02452	3.3
95.01385	2.0
97.02934	1.4
99.00879	1.1
101.02452	4.3
107.01394	5.7
111.00874	2.1
113.02451	2.0
123.00891	12.4
124.01682	2.1
125.02444	47.1
126.02812	1.7
127.00437	0.7
129.01945	4.5
130.08975	0.6
136.98807	0.9
139.00371	4.9
140.01189	3.5
141.01939	2.1
151.00372	9.3
153.01866	0.9
163.98248	0.6
168.00635	5.7
169.01427	100.0
170.01764	4.5
193.54785	0.6
211.02477	5.8
219.85822	0.7
223.02499	0.8
231.82027	0.6
241.03519	22.8
242.03915	1.2
301.05634	48.6
302.06058	2.9
309.06107	1.3
313.05643	1.4
327.07391	0.7
371.06201	12.5
372.06570	1.3
389.07074	11.4
389.10919	63.8
390.07629	1.0
390.11490	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	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73003	22.9
57.38805	21.3
59.01378	100.0
70.59243	23.0
71.16457	45.2
71.44352	26.8
84.47030	23.9
131.44289	24.2
147.88939	26.6
165.46237	26.2
187.60104	23.5
275.37241	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01868	3.4
57.03437	1.9
58.00595	1.9
58.94983	0.6
59.01379	100.0
60.01702	1.0
67.01906	1.1
69.27870	6.3
69.86431	0.6
71.01381	37.1
72.01707	1.0
72.99317	2.6
73.02950	8.3
73.24314	0.6
75.00867	0.8
81.03477	0.8
83.01377	4.2
85.02949	14.5
87.00895	2.4
89.02443	26.8
91.01923	0.7
95.01366	3.7
96.96019	1.1
97.02971	0.7
98.20641	1.5
99.00902	2.9
101.02447	24.5
102.02747	0.9
107.01402	4.0
108.02171	1.9
111.00906	1.8
113.02450	15.0
119.03504	9.9
120.03754	0.7
123.00901	3.6
123.04531	7.7
125.02467	2.7
131.03494	0.7
143.03499	1.8
149.04575	0.8
151.00330	6.0
152.01184	3.4
153.01917	1.4
158.00195	0.7
159.03024	1.5
161.04558	7.8
163.11282	15.1
165.05759	0.7
166.02679	1.6
167.03493	27.4
168.03830	1.4
170.18626	0.7
179.05663	1.5
195.02986	1.2
207.10237	3.0
207.13979	0.6
225.11398	0.7
225.14978	2.2
257.91861	0.6
372.10632	1.3
385.86676	0.7
387.12811	22.1
387.16766	65.8
388.13177	2.2
388.17307	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	387.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08129	0.5
55.01860	1.0
57.03447	1.0
59.01104	0.7
59.01380	9.7
67.01884	1.2
68.99802	0.6
69.03448	0.6
69.36448	4.2
71.01381	10.7
72.99294	1.0
73.02940	3.6
75.00849	0.7
79.01882	1.3
83.01380	2.7
85.02947	3.7
87.00883	1.4
89.02452	2.5
95.01385	3.0
98.19842	0.9
99.00875	1.2
101.02446	9.1
102.36353	0.5
103.98785	0.5
107.01405	3.5
111.00859	4.3
113.01749	0.6
113.02447	4.2
119.03505	1.1
123.00889	16.6
124.01692	1.8
125.02451	13.9
126.02784	0.7
127.00405	1.0
136.98776	2.2
139.00380	6.8
140.01132	5.6
141.01942	2.4
143.03488	0.5
151.00369	12.7
152.00761	0.8
153.01892	0.5
161.04523	3.5
163.04068	0.7
168.00606	4.7
169.01414	18.7
170.01703	1.1
179.05652	0.5
223.13463	0.5
225.14882	2.7
226.15211	0.5
309.04810	0.5
313.05725	0.8
377.21036	0.5
387.12936	100.0
388.13293	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	387.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03440	2.1
58.00590	0.6
59.01382	18.2
67.01891	0.9
68.99812	0.7
71.01385	22.9
72.01697	0.5
72.99326	1.5
73.02945	8.4
79.01898	1.3
83.01375	4.7
85.02955	10.8
87.00861	2.4
89.02444	5.9
95.01389	3.5
96.96008	0.7
97.02950	1.5
98.19891	1.8
99.00871	2.8
101.02448	20.5
102.02791	0.5
105.50779	0.5
107.01389	3.4
110.00038	0.6
111.00881	3.6
113.02441	10.3
119.03512	2.5
123.00884	15.4
124.01672	1.8
125.02443	15.0
126.02776	0.8
127.00402	1.4
136.98819	2.3
137.02400	0.6
137.09630	0.7
139.00381	7.3
139.03976	0.6
140.01189	4.9
141.01938	2.2
143.03516	1.2
147.12218	0.5
151.00369	11.9
152.00734	0.7
154.99846	0.5
156.86124	0.4
159.02997	2.7
161.04573	7.7
168.00633	5.2
169.01419	16.2
170.01791	0.7
181.04971	0.8
198.32721	0.5
221.06590	0.5
225.05673	0.6
225.14928	7.3
226.15355	0.6
229.76883	0.5
229.78859	0.5
253.03398	0.5
313.05667	0.5
382.07202	0.6
387.12949	100.0
387.19980	6.9
388.13263	12.2
388.20734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
57.03442	2.0
58.00578	0.7
59.01376	17.1
63.14807	0.4
63.72870	0.3
64.08812	0.5
65.00305	0.4
67.01886	0.9
69.03432	0.6
71.01381	18.3
71.05061	0.3
71.55356	0.6
72.99295	1.4
73.02941	4.7
76.35369	0.5
79.01884	1.1
81.03460	0.5
83.01377	3.4
83.05011	0.6
85.02946	8.2
86.00076	0.4
87.00850	1.0
89.02442	8.0
95.01398	3.1
96.95994	2.3
97.02946	1.2
97.06577	0.7
99.00877	2.3
99.04500	0.4
101.02438	12.7
107.01379	2.9
111.00896	4.8
111.67045	0.4
113.01707	0.5
113.02457	7.1
114.02835	0.3
119.03479	2.7
120.01266	0.4
121.06552	0.3
123.00881	13.7
123.04498	2.4
123.08089	0.4
124.01655	1.1
125.02441	17.3
126.02790	0.7
127.00387	1.2
129.01868	0.6
131.03490	0.4
136.98798	1.8
137.02425	1.0
137.09692	1.1
139.00371	6.7
140.01164	4.9
141.01915	2.2
143.03474	0.6
149.02466	0.7
149.04512	0.3
151.00365	11.6
151.03976	0.5
151.11259	1.2
152.00792	0.8
153.01913	1.0
154.99834	0.5
155.10733	0.6
159.02948	1.3
161.04547	4.4
163.04008	0.5
165.01859	0.4
165.04071	0.4
165.05553	0.6
165.12793	0.8
167.03471	6.7
167.14400	0.5
168.00613	4.9
168.03787	0.6
169.01424	16.4
170.01785	0.7
173.00899	0.8
182.01926	0.3
195.06706	0.6
195.13843	0.4
207.13882	0.8
210.08987	0.9
211.02657	0.4
225.07698	2.8
225.11436	1.9
225.14914	7.6
281.09210	0.5
313.05588	0.8
347.25439	0.4
387.12909	100.0
388.13287	12.4
388.18161	0.5
392.16330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	96.7
61.98832	100.0
71.22742	24.3
71.23090	28.2
71.31170	16.4
84.32174	15.0
86.68498	20.5
87.81751	14.2
88.77349	15.9
114.50188	15.2
148.25603	16.6
239.67845	18.0
270.28098	20.3
312.22580	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1294
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
55.46390	1.6
57.03455	2.3
57.98557	1.7
58.00589	2.4
59.01380	66.1
61.98829	4.1
71.01380	31.8
71.54735	3.5
73.02935	4.2
82.21426	1.6
83.01405	3.5
85.02956	8.7
87.00902	2.4
89.02445	32.1
93.03460	18.5
95.01376	3.7
95.05027	1.9
96.95986	3.6
101.02438	22.3
113.02434	8.5
119.03479	11.0
121.02954	3.5
125.02455	6.7
137.02435	34.8
143.03493	2.1
149.02472	7.1
153.09302	2.2
161.04541	4.3
163.11293	5.6
177.01941	34.5
192.04280	56.0
193.04701	2.9
193.91791	1.8
207.06618	100.0
208.06941	6.5
225.07706	4.5
239.05626	2.3
255.12352	2.1
281.06677	1.7
387.04907	1.7
387.12613	30.3
387.16785	6.5
388.13113	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2229
Annotation	Oleandolide
Peak:m/z	Relative Intensity
56.39225	0.8
56.47793	0.7
59.01380	6.3
61.98819	1.6
71.01395	1.6
74.97946	0.8
85.02977	0.9
89.02466	2.8
91.04018	3.0
98.19923	1.7
121.02954	2.2
122.03752	2.0
125.02439	4.2
153.09193	1.2
165.73640	1.0
167.14421	2.9
169.01421	2.2
193.16077	1.0
207.17604	2.4
223.20723	2.5
228.77119	0.8
231.17574	1.1
249.18633	8.5
267.19638	100.0
268.19983	10.6
275.16516	13.5
276.16718	1.0
293.17581	71.4
294.17929	8.2
309.09787	2.9
309.60071	1.1
311.18649	13.5
312.19046	1.7
367.21219	6.5
385.22299	59.8
386.22641	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	385.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	14.1
61.98831	100.0
71.01398	6.4
71.55128	6.0
112.12996	4.6
121.02932	5.8
126.36334	5.3
129.07422	5.6
153.09151	7.0
233.57756	5.9
246.65344	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
57.03444	1.8
58.00586	1.7
59.01381	41.9
69.03411	1.4
69.85780	5.6
71.01381	36.6
72.99320	2.9
73.02959	7.2
75.00860	1.0
82.33905	1.0
83.01375	2.8
85.02965	11.1
87.00871	4.3
89.02441	25.9
93.03468	2.0
95.01404	2.7
96.96004	2.8
97.02934	1.0
99.00878	2.7
101.02451	17.3
103.66420	0.9
113.02451	13.7
119.03496	7.3
121.06598	2.9
125.02439	1.8
127.57162	1.0
131.03525	5.3
135.08060	0.9
137.02426	3.5
137.09691	5.2
143.03415	1.4
147.08173	3.7
149.06096	0.9
149.09669	1.0
153.09250	1.5
159.03017	1.9
159.11696	1.1
161.04573	11.0
161.09673	2.5
161.44987	0.9
163.11288	37.1
164.11610	2.3
171.08199	1.6
173.11787	2.2
175.11261	17.5
176.11548	1.0
177.12866	2.7
179.05521	1.2
187.11278	8.4
190.09964	1.2
205.12328	100.0
206.12653	9.1
221.06636	9.7
223.06094	1.3
223.13197	0.9
305.16324	1.1
331.95273	1.0
385.14713	3.6
385.63528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1865
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
54.01040	0.9
55.01871	1.0
55.03149	1.1
56.78920	0.9
56.99805	0.9
57.03450	2.1
59.01378	38.8
66.03442	0.9
71.00999	1.9
71.01382	32.8
71.55563	1.1
72.99312	1.7
73.02946	6.1
75.34343	1.0
81.16915	0.9
83.01379	3.1
83.05025	1.2
85.02956	10.4
86.16692	1.1
87.00871	3.8
89.02439	24.8
93.15878	1.0
95.01376	2.4
95.27225	1.1
95.27901	0.9
96.96004	4.0
98.25366	1.2
99.00873	1.8
101.02436	16.4
104.90332	1.0
110.87395	1.0
113.02444	11.9
119.03506	8.7
121.06582	2.9
125.02457	2.6
131.03497	5.0
137.02422	1.2
137.09691	4.2
143.03510	1.1
147.08113	3.4
149.09633	1.2
155.57959	1.0
157.48677	1.1
160.08945	1.7
161.04550	12.4
161.09724	2.4
163.11281	32.4
164.11511	1.5
171.08257	1.3
175.11269	17.0
176.11607	1.9
177.12801	1.8
187.11237	8.6
190.10005	1.5
205.12317	100.0
206.12645	8.6
221.06581	9.0
382.99173	1.2
385.14755	1.8
398.64407	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04820	0.2
57.03448	1.3
59.01377	1.5
60.14772	0.2
60.41265	0.2
61.98792	0.2
65.00328	1.0
71.01384	0.4
71.52341	0.4
73.02940	0.7
81.03455	7.4
82.03787	0.2
83.01381	1.5
87.00854	0.2
94.81838	0.2
96.96046	0.3
104.45344	0.2
107.01374	1.1
113.09735	0.9
115.07665	0.8
121.02937	0.4
122.03760	1.9
123.04531	0.5
125.02445	9.3
126.02825	0.3
137.02420	0.4
137.09731	3.5
139.04013	0.3
139.07646	6.1
148.72279	0.2
149.02455	1.2
151.00368	1.9
152.36591	0.2
155.10745	0.4
161.09647	0.4
167.03497	0.3
169.01427	0.8
177.01830	0.4
179.10764	28.4
180.11079	2.1
205.08638	1.0
219.10234	0.5
223.09743	100.0
224.10085	8.1
224.45520	0.2
247.09834	0.6
265.10788	0.8
341.23483	0.3
385.14734	0.4
385.22415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1137
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.54213	0.9
55.01858	1.8
57.03445	2.4
58.00591	1.7
59.01380	43.9
64.27003	0.8
68.90654	0.9
69.03465	1.7
70.97584	0.9
71.01382	48.3
71.55739	1.0
72.99298	3.4
73.02949	9.7
75.00872	2.7
83.01383	3.1
83.05008	1.6
85.02944	17.7
87.00850	2.8
89.02438	24.1
93.03458	1.3
95.01376	3.6
95.05023	1.8
96.22272	0.9
96.96005	8.7
97.02942	3.1
97.06603	1.3
99.00886	3.1
101.02445	21.1
108.05804	1.3
109.02952	1.2
111.00844	1.3
113.02446	17.4
113.06097	1.9
115.00389	1.2
119.01378	4.6
119.03485	8.9
120.46297	1.0
121.02961	6.0
123.08134	1.0
125.02453	3.8
125.06108	2.4
129.01845	1.1
131.03545	1.1
133.02942	1.1
136.05313	1.3
137.02431	1.1
137.06042	2.2
138.06862	11.8
139.03893	1.0
139.07671	4.6
143.03493	1.0
147.00883	3.3
149.02380	4.9
151.07634	13.0
152.04697	1.3
152.07239	1.9
152.08420	25.9
153.09212	53.8
154.09570	3.1
159.02998	2.3
161.02486	1.6
161.04570	8.8
161.09772	1.3
163.11269	1.8
164.04808	6.5
165.09171	1.5
167.07085	1.1
169.01379	3.9
174.01692	8.8
175.00354	26.8
175.02083	1.2
175.02470	1.1
176.00604	2.1
179.05640	2.1
179.07091	2.8
190.02707	68.2
191.03035	6.0
193.05066	1.0
205.05045	100.0
205.12337	17.2
206.05379	7.9
206.12672	1.5
210.07843	1.0
211.06017	1.3
223.06119	19.4
223.09740	1.0
223.13373	13.4
224.06468	1.1
224.09154	1.2
224.13788	1.3
232.03658	1.1
234.21404	1.2
247.06149	5.5
248.56761	0.9
256.10818	1.6
265.07150	2.9
280.83960	1.0
295.08109	2.1
304.06772	1.4
325.09235	3.8
385.11240	19.2
385.15097	2.4
385.18961	3.5
386.11694	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1293
Annotation	Kenusanone D
Peak:m/z	Relative Intensity
56.39443	1.4
59.01367	4.9
61.76091	1.8
71.01369	3.1
71.54972	1.8
81.03442	7.0
83.01368	4.8
85.32315	1.5
86.64653	1.6
93.03442	3.5
93.95235	1.5
95.01373	4.8
96.96002	1.9
97.02940	6.1
101.02410	2.0
108.02133	1.9
109.02946	28.9
111.04472	3.7
121.02950	5.2
121.06594	5.2
123.00891	10.7
124.01627	5.9
125.02445	82.1
126.02794	2.2
133.02986	1.9
137.02423	11.3
137.09723	3.8
138.03215	2.4
139.04007	33.4
139.07620	2.2
139.11270	1.7
149.02420	5.1
150.03160	1.6
151.04024	2.2
153.09229	1.6
161.02406	3.2
161.09720	11.7
163.07643	3.7
165.01918	7.0
167.03499	26.7
167.04871	1.7
168.00668	2.5
169.01402	3.3
175.03951	5.0
176.01114	7.7
177.01909	10.9
177.05566	2.9
178.02542	2.1
179.03458	2.9
179.10782	16.2
189.05579	2.6
190.02734	2.2
193.05020	1.8
203.03400	3.9
205.08685	25.2
206.08980	2.4
207.10226	4.7
217.08672	15.8
219.06685	4.4
219.10223	2.4
221.04482	11.3
222.08876	1.6
223.09755	44.9
224.10100	2.6
229.04912	2.3
229.08832	1.7
231.06567	2.4
231.10114	1.9
240.02658	2.9
244.07350	4.1
245.08174	23.2
246.08492	3.1
247.02585	2.7
247.09698	12.3
259.09665	11.4
261.11026	1.6
263.05542	5.5
265.10754	4.0
277.10779	1.6
299.12701	4.3
309.09784	9.4
309.59995	3.7
341.13956	12.4
385.12885	100.0
386.13272	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	385.114
Annotation	Axitinib
Peak:m/z	Relative Intensity
50.45702	0.9
50.57411	0.9
50.73997	0.9
58.08683	0.9
59.01386	4.6
66.30174	0.8
69.87139	5.2
71.01378	2.9
72.99291	1.6
73.02939	3.4
75.00878	3.2
75.70734	0.8
83.01391	2.5
85.02946	4.9
87.00868	3.8
96.95991	1.1
101.02451	1.6
113.99606	0.9
115.00378	9.0
120.86482	0.9
125.02357	1.3
151.00414	1.0
155.28806	0.9
169.01381	1.1
174.01689	70.8
175.02487	7.6
178.06316	1.5
190.02730	1.6
194.05867	1.8
205.05099	2.3
209.08173	4.4
223.06091	1.6
239.09177	2.5
248.19592	1.0
251.09119	1.4
267.08725	2.8
295.08249	8.6
325.09256	12.2
326.09518	1.5
385.11386	100.0
386.11804	10.8
398.73782	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73784	0.6
57.03441	1.0
59.01377	6.2
61.98814	0.9
71.01374	2.7
73.02925	0.9
77.83954	0.6
89.02447	2.4
91.03998	1.5
97.06591	2.1
98.19909	1.3
101.02422	1.6
111.08169	1.1
113.02437	1.6
113.09728	2.4
115.07661	1.1
123.00893	1.1
125.02412	1.9
135.15378	0.6
137.02376	0.6
137.09790	0.6
141.09245	1.0
151.00266	0.8
156.90450	0.6
159.75238	0.6
162.92554	1.1
165.12846	3.0
167.14423	1.8
168.00662	0.8
169.01430	2.8
179.05727	0.8
181.12350	3.9
183.13803	1.0
188.53799	0.5
193.12321	1.3
195.13918	3.0
197.11868	2.1
211.13376	3.3
221.15430	2.8
229.02039	0.5
229.14482	0.9
232.18217	0.6
240.13690	0.9
247.20645	4.3
263.20093	1.0
265.55811	0.6
271.02499	0.7
273.18668	3.6
281.21283	1.8
291.19653	37.9
292.19965	5.2
293.83548	0.6
307.04495	1.4
309.20706	100.0
310.21042	11.3
314.17291	1.2
317.02896	2.5
318.02991	0.7
323.09702	1.3
341.10931	1.0
383.24207	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
56.21521	0.7
57.03447	5.1
58.18111	0.7
59.01377	14.6
62.70969	0.7
71.00997	1.6
71.01379	23.0
71.53474	1.2
72.01712	0.9
72.55561	0.8
72.99307	4.8
73.02956	5.0
75.00872	35.3
75.03767	0.7
79.63627	0.8
83.01387	3.3
84.47082	0.7
85.02950	38.5
87.00880	9.9
88.46406	0.7
89.02458	3.1
95.01359	4.6
97.02920	1.0
99.00871	11.4
101.02431	10.7
111.00870	1.2
112.01666	1.3
113.02448	34.2
114.02745	1.3
115.00375	1.8
117.01920	2.3
119.03498	0.9
126.02863	0.8
129.01854	1.3
130.60176	0.8
134.04686	1.1
156.08296	0.8
157.01405	1.2
161.04616	1.8
175.02441	3.8
175.55647	0.9
191.05579	1.8
207.08728	5.7
265.09235	1.1
273.42053	0.8
284.07840	0.8
323.09888	1.5
383.11932	100.0
384.12274	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	383.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.5
59.01380	7.0
69.19208	9.3
69.19612	4.8
71.01387	4.2
76.86382	1.6
83.01372	2.0
87.00925	1.5
89.02452	3.2
97.06568	1.9
98.19923	3.2
101.02407	1.6
107.01384	1.9
113.02475	3.4
113.09750	2.4
123.00902	2.8
125.02450	6.8
137.02431	2.2
151.00363	3.7
169.01434	5.7
178.99835	1.9
211.13480	3.0
221.15450	2.5
247.20647	4.6
271.02396	2.7
291.19629	39.5
292.20016	4.9
306.08658	1.6
307.04697	2.3
309.20697	100.0
310.21011	14.0
316.02145	2.7
317.03082	8.9
317.06149	1.7
341.10693	2.2
383.24371	4.1
400.79626	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	383.1194
Annotation	Acetyl-maltose
Peak:m/z	Relative Intensity
52.01705	1.1
53.42397	1.1
55.01884	2.3
57.03439	5.1
59.01374	15.6
69.84766	6.8
71.01385	24.5
72.99297	4.2
73.02943	4.0
74.55269	1.1
75.00871	29.6
83.01383	3.4
85.02950	31.8
87.00868	9.3
89.02446	4.7
95.01392	2.4
99.00873	12.4
101.02454	12.6
113.02451	29.2
115.00424	2.3
117.01900	2.1
119.03414	1.4
134.04715	2.6
157.01456	1.8
159.03043	1.6
161.04529	2.1
165.50058	1.4
168.57779	1.4
175.02466	3.7
181.42082	1.3
196.14178	1.3
206.12787	1.2
207.08760	5.7
249.06316	1.3
266.36832	1.2
311.63455	1.2
323.09982	1.8
383.11935	100.0
384.12274	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	383.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55730	1.3
57.03424	1.5
59.01380	10.2
59.07855	1.3
61.98796	1.3
62.35569	1.3
71.01369	5.5
71.51399	1.7
73.02956	1.9
75.00859	2.2
78.95892	1.9
85.02958	13.6
87.00883	12.5
89.02438	2.4
93.03461	3.9
101.02444	3.0
113.02426	5.1
145.33878	1.3
191.05606	100.0
192.05952	5.0
213.18283	1.4
258.03214	1.7
294.51935	1.5
341.10907	2.0
383.12012	4.7
408.57214	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	382.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.12754	2.2
61.98842	2.9
69.34630	11.3
69.35049	8.0
71.01376	2.3
73.02924	2.5
87.00861	2.3
89.02482	3.7
97.82164	2.1
98.20662	5.1
105.23363	2.3
113.02474	3.9
126.05602	5.2
160.86678	2.3
165.19777	2.2
169.01443	2.4
255.23260	6.9
322.27448	2.4
362.34402	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	383.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46743	1.8
59.01372	12.8
61.98825	2.4
70.04996	1.9
71.01376	4.7
71.54034	2.3
77.05762	2.0
87.06010	1.9
89.02439	4.3
97.74618	2.0
101.02480	2.8
107.01382	2.6
113.02403	2.8
119.03500	2.1
121.02959	100.0
122.03219	3.4
123.00874	4.2
125.02421	6.2
127.91158	2.1
147.04492	1.9
149.02469	2.4
151.00349	4.4
169.01401	9.2
181.06619	3.1
189.34996	2.3
191.03506	11.5
225.05557	8.8
265.21640	3.4
266.81931	2.0
271.02591	3.7
291.19672	7.1
295.06027	12.1
307.04669	2.9
309.20746	4.4
311.09265	14.3
313.07239	19.5
317.03046	10.0
339.08792	13.5
340.08569	3.0
341.11008	2.7
383.07736	22.7
383.12152	3.4
383.24286	7.0
384.08035	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	381.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.5
60.19543	2.5
63.25097	1.7
67.28735	1.7
68.69672	2.1
69.26282	1.9
71.07787	2.8
71.08117	3.1
74.99079	26.0
86.27267	2.0
91.02219	39.6
93.00160	14.6
127.80666	2.2
134.48405	1.9
136.20586	2.0
143.05336	2.1
152.99593	2.7
159.08466	100.0
160.08646	6.6
161.06396	11.7
173.99069	1.9
239.29311	2.0
329.90756	2.0
362.82803	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	381.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98827	2.0
67.87693	0.9
71.01393	4.6
71.54787	1.7
73.02966	1.5
83.01411	1.0
85.02956	2.1
89.02462	1.1
93.10740	1.0
96.95393	1.3
96.96011	23.6
99.00927	1.0
101.02442	4.1
113.02458	2.9
125.02462	2.1
145.02936	1.5
161.04561	3.8
169.01392	1.7
213.04637	1.1
234.01714	1.1
277.14117	1.0
314.33865	1.0
317.38168	1.1
321.19199	10.2
322.19492	1.5
337.09436	1.6
381.08154	1.1
381.12354	1.2
381.15964	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	381.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
57.03453	4.1
57.78343	0.6
59.01379	27.2
68.99819	2.6
69.03462	3.8
70.27514	0.6
71.01384	100.0
71.05054	0.7
72.01735	2.1
72.99277	0.9
73.02950	10.9
81.03455	4.1
81.78244	0.7
83.01390	18.5
84.02162	0.9
85.02953	18.4
87.00886	2.1
87.04512	6.7
89.02444	8.5
89.06081	11.8
90.59104	0.9
90.81902	0.9
95.01398	6.9
95.78568	0.7
96.95975	0.7
97.02948	3.7
99.00912	3.4
99.04562	1.2
101.02427	13.1
112.01673	5.2
113.02451	22.6
114.02756	1.1
121.02955	40.1
122.03303	1.3
125.02444	7.2
129.07016	0.7
131.07114	2.3
142.02754	1.5
143.03532	3.7
147.00749	0.8
155.07213	1.9
161.04582	4.8
165.01955	3.9
169.01396	0.8
185.08235	1.2
196.29602	0.7
203.09195	0.9
233.10301	24.5
234.10658	1.7
237.07654	5.1
291.08862	1.5
381.11902	55.8
382.12329	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	379.9393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.8
61.98832	100.0
62.98553	0.8
71.54813	0.8
77.64981	0.5
78.95911	2.1
83.07578	0.5
137.94490	0.6
138.41954	0.6
158.92520	0.8
162.98491	1.8
174.09814	0.6
194.98198	1.9
206.00049	0.9
206.97449	52.5
207.97594	4.6
237.92702	10.3
253.97488	1.6
277.97375	1.4
295.98499	2.5
296.98309	1.2
309.13385	0.6
337.99591	4.3
338.99365	2.3
379.95688	1.0
379.98526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12940	1.0
59.01378	53.3
63.39635	0.9
66.10419	0.9
67.31203	0.8
69.29276	0.9
71.51206	1.4
78.95927	0.9
79.07201	1.1
90.97136	1.2
104.44472	1.0
132.98232	2.2
174.99239	22.2
180.88127	0.9
201.02573	2.4
207.93530	1.2
217.00288	100.0
218.00598	3.7
225.63492	1.1
227.72466	0.9
285.40125	0.9
299.00433	1.9
393.18506	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13165	0.3
58.98605	0.4
59.01383	0.5
61.98830	100.0
71.16575	0.7
71.16979	0.4
84.30196	0.4
87.32403	0.4
92.99854	0.4
96.96024	1.1
105.16475	0.4
180.01657	0.6
198.69920	0.4
252.03712	0.5
293.21796	0.4
305.21088	0.4
336.95172	0.5
341.09882	1.1
369.55920	0.4
378.18924	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	379.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01698	0.8
67.83346	0.5
69.41047	3.1
69.41458	1.2
75.90520	0.5
96.96005	0.8
101.02460	1.3
149.83357	0.6
166.85188	0.6
169.01479	1.1
319.21393	2.4
379.21149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20385	0.8
59.01369	2.3
61.98828	100.0
68.90617	0.6
71.01398	0.9
85.02973	0.8
85.89361	0.7
85.89903	1.0
89.02431	0.9
101.02477	0.8
123.00961	0.7
125.02443	1.7
137.02376	0.7
169.01437	0.8
173.00732	0.8
258.96222	0.7
270.69183	0.7
316.36621	0.7
374.29471	0.7
378.12057	2.6
379.07022	1.4
379.11899	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.8
58.29370	3.6
59.01375	18.1
61.98834	36.1
69.18839	17.6
69.19266	23.8
71.01380	9.2
75.60816	3.6
79.61268	3.5
79.72952	4.0
79.95757	6.0
85.02961	9.9
85.63673	3.8
87.00872	5.4
87.44971	3.8
90.64429	3.5
92.85342	4.4
96.96014	100.0
98.19914	6.5
99.00877	5.5
99.04549	4.8
113.99590	6.7
122.95525	4.0
125.02429	14.5
133.50443	4.0
143.10855	5.8
150.95857	3.9
157.01457	5.7
169.01457	7.0
211.13333	5.7
255.03114	4.8
260.83185	5.7
271.02457	14.1
277.05539	6.9
295.88062	3.8
297.11697	4.6
300.02728	22.4
315.04892	20.2
357.26236	7.2
378.14417	71.8
378.64630	21.1
379.14227	7.1
390.91461	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	377.1452
Annotation	Abafungin
Peak:m/z	Relative Intensity
53.97380	1.4
58.00599	1.4
59.01102	2.3
59.01380	38.8
59.20835	1.4
61.42776	1.5
69.03448	1.6
71.01382	34.8
71.56161	3.0
72.99281	2.6
73.02936	2.0
79.05534	23.2
81.03461	12.3
83.01383	4.8
83.05014	3.0
85.02953	5.2
85.06573	1.7
87.00885	2.6
89.02451	10.2
95.05014	4.2
96.95988	3.1
97.02932	2.7
97.06598	23.0
99.00861	2.4
99.04523	69.2
100.04824	2.8
101.02461	13.3
108.02193	2.6
109.02943	1.6
109.06599	2.5
110.16553	1.4
113.02433	7.0
113.06094	40.6
114.06400	1.7
119.03432	2.8
120.52156	1.4
121.02944	2.4
123.04524	70.9
124.04867	2.9
125.02422	2.9
141.05585	40.7
153.05563	4.0
161.04529	1.9
169.01416	2.0
171.06609	1.7
183.06650	4.6
195.06650	1.9
277.04413	1.6
377.14481	100.0
378.14813	11.1
378.18872	1.8
392.58438	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	376.9641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.2
61.98828	100.0
69.27234	3.1
84.47333	0.3
119.94654	0.3
132.98203	0.3
134.97070	0.4
141.67900	0.3
149.46150	0.4
150.99240	0.4
174.99251	0.4
192.96089	0.5
201.02573	0.5
203.02376	1.1
203.99980	25.6
205.00148	2.6
217.00348	0.5
219.00453	0.4
219.97818	1.8
228.13339	0.4
234.95213	5.3
234.97279	1.1
250.95193	0.6
250.99622	0.4
270.31287	0.3
292.96210	1.6
293.96259	0.3
300.29614	0.3
334.97327	1.6
335.01193	0.6
335.97607	0.4
376.98337	3.2
377.98483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54487	0.3
59.01374	1.1
62.94380	0.3
65.00331	0.3
67.01186	0.3
70.79238	0.7
70.79582	0.4
71.01372	1.0
83.01385	0.5
95.01396	0.7
96.96021	1.6
107.01385	0.5
111.00880	2.9
123.00893	2.7
124.01665	1.7
125.02442	3.6
127.00337	0.7
129.67958	0.3
134.03752	1.1
136.98814	1.9
139.00352	3.0
140.01158	3.9
141.57298	0.4
151.00348	1.5
166.99869	0.7
168.00630	6.8
169.01418	3.3
182.02219	1.8
183.02979	100.0
184.03308	5.2
193.05119	0.7
278.10934	0.4
301.06348	8.0
301.56647	2.6
310.60495	0.3
377.07339	1.9
377.12823	0.6
377.57040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51022	0.3
57.03436	1.3
58.00607	0.3
59.01360	1.3
68.33376	0.3
71.01366	0.7
71.43129	0.3
71.52199	0.3
73.02942	0.5
82.12949	0.3
85.02942	0.4
87.04508	0.8
95.01348	0.3
95.16342	0.3
96.96009	1.1
97.06572	0.8
109.06565	0.7
123.08190	1.4
125.02412	1.1
135.08145	0.6
139.11269	0.7
141.09198	0.4
141.12833	0.6
151.00407	0.3
153.09207	0.6
157.12314	1.7
159.84097	0.3
169.01373	0.9
169.12349	1.2
173.77696	0.3
185.11829	2.6
215.12946	1.4
222.87321	0.3
251.19902	0.5
257.27225	0.3
297.20633	0.3
301.03445	0.4
327.21722	0.4
329.23248	2.8
330.23764	0.5
339.25455	0.3
355.25195	0.3
357.26486	3.6
373.25964	2.8
374.26331	0.5
375.27478	100.0
376.27826	13.7
376.32669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	26.3
61.02745	1.9
69.11494	2.0
71.45370	2.7
78.69131	2.4
79.59071	2.0
86.08187	2.1
95.05032	31.9
99.92612	1.9
109.72919	1.7
115.92088	3.2
126.54103	1.9
159.18835	2.4
179.14410	2.8
195.13904	7.7
215.70912	2.5
223.13358	7.6
246.12288	14.8
275.20111	6.9
277.21838	2.3
278.11334	78.2
279.11646	5.8
281.12048	2.3
282.95984	2.2
289.20126	2.1
293.21219	100.0
294.21509	10.1
315.19498	13.7
329.87866	2.6
338.12155	3.8
375.21478	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	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81390	4.1
71.28134	0.7
74.99076	2.1
79.40088	0.8
79.92334	0.8
114.00079	0.8
144.33023	0.9
148.57565	0.9
153.97870	0.8
157.31491	0.8
159.08479	11.9
161.06404	2.6
192.98033	0.9
209.01288	2.5
217.07158	1.7
232.07893	1.0
275.06067	1.6
277.07458	2.6
289.07370	1.3
291.09106	95.5
292.09210	15.2
309.09772	1.3
357.13788	2.2
359.15341	100.0
360.15533	18.6
375.18430	5.6
376.18405	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41886	0.5
67.34918	0.4
70.35712	0.6
70.36057	1.3
71.63248	0.4
74.99075	3.1
75.51036	0.4
76.45741	0.4
93.00133	1.0
121.29053	0.4
143.05325	0.7
148.01050	0.4
149.00960	0.6
159.08467	10.0
161.06386	2.9
167.97836	0.5
192.98126	1.1
193.67824	0.5
209.01242	3.8
214.18187	0.6
217.07199	1.9
235.30312	0.4
275.05936	1.6
277.07474	2.4
278.07669	0.6
289.07507	1.9
291.09097	100.0
292.09207	16.3
309.10190	0.8
310.79602	0.4
357.13803	2.2
358.13681	0.4
358.53558	0.6
359.15335	99.4
360.15497	21.7
375.18427	5.4
376.18747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
58.00589	2.2
59.01380	31.8
69.03448	1.9
69.19840	10.0
71.01382	26.5
72.99307	1.5
73.02946	4.4
83.01387	2.6
85.02956	6.5
89.02442	20.9
95.05048	5.2
96.79063	1.3
97.06570	2.8
98.03720	5.7
101.02444	10.6
107.05041	8.0
108.02162	1.5
108.78496	1.2
113.02444	7.6
119.03493	6.9
123.08151	1.3
125.02426	3.1
127.66242	1.1
133.10121	1.3
135.08163	1.4
144.04266	1.1
149.09747	2.6
151.11285	71.8
152.11591	4.7
161.04504	1.5
169.01364	2.5
169.12347	12.6
170.12700	1.6
195.10254	100.0
196.10646	6.8
198.03131	1.0
217.14462	1.1
285.03931	3.2
375.27426	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	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.9
57.03455	3.6
57.64597	1.6
58.00582	2.5
58.90329	1.7
59.01381	100.0
60.01709	1.5
61.52401	1.5
69.89948	5.6
71.01387	61.4
72.99316	3.9
73.02943	8.0
74.78526	1.4
83.01393	6.6
85.02956	22.7
87.00900	3.0
89.02445	62.0
90.02824	1.9
95.01402	5.2
96.90266	1.4
96.96017	3.5
97.02945	2.0
99.00874	2.3
99.04522	2.7
101.02442	45.4
109.02999	1.8
113.02464	26.0
119.03511	30.2
125.02459	7.7
131.03523	1.9
137.02458	3.6
142.45335	1.5
143.03563	3.9
149.04607	3.9
159.03081	2.2
161.04581	4.1
167.03447	4.0
177.09158	2.4
179.05621	4.9
195.10277	2.7
357.15668	9.0
375.07260	2.2
375.16629	66.3
376.17004	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.4
57.03442	4.6
58.00579	3.6
58.80001	0.9
59.01380	100.0
63.08398	1.0
69.44823	8.0
70.24935	1.0
71.01382	65.5
72.01716	1.1
72.99303	4.3
73.02953	7.8
75.00877	1.3
81.03459	1.3
83.01382	5.0
85.02952	24.5
87.00855	3.2
89.02445	64.4
90.02806	1.8
93.03468	1.4
95.01384	4.9
96.96005	3.1
98.20721	1.3
99.00890	2.7
99.04536	1.4
101.02439	45.1
113.02448	25.2
113.06086	1.2
113.63707	1.0
119.03503	35.9
125.02457	5.3
125.46326	1.1
126.03282	1.5
131.03467	2.5
137.02438	2.9
138.03235	1.8
143.03540	3.0
149.04572	2.3
161.04561	4.9
165.01967	1.3
166.02832	1.0
167.03531	2.9
169.01463	1.2
169.12323	1.5
169.49564	1.1
177.09216	3.2
179.05583	5.9
191.02113	1.1
191.64687	0.9
195.10330	1.5
213.11314	2.0
331.08466	1.3
331.17825	1.4
332.57925	1.1
343.09238	1.5
357.15738	5.6
375.16614	76.7
376.16986	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	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79507	0.4
54.51717	0.4
54.61325	0.4
55.01880	8.1
57.03437	1.2
58.00574	0.6
59.01383	2.9
69.95528	2.6
71.01388	3.9
72.91185	0.4
73.02949	0.8
73.41671	0.5
75.00880	5.9
83.52630	0.6
85.02947	1.4
87.00877	0.8
89.02438	2.2
93.09219	0.4
96.96015	0.7
98.20618	1.0
99.00886	0.8
101.02431	2.9
102.69805	0.4
105.01934	0.8
105.55262	0.5
111.08162	1.5
117.28102	0.5
119.03526	0.7
123.08172	0.8
125.02442	1.3
129.01952	3.9
147.03004	7.5
165.04062	10.8
165.12848	27.7
166.13191	2.1
169.01418	1.3
183.13896	100.0
184.14226	7.6
187.63986	0.5
191.10767	0.7
191.59412	0.6
209.11797	1.9
213.14943	0.6
227.12886	89.6
228.13145	5.9
281.07016	0.5
299.04846	1.8
299.55103	1.2
300.02756	1.0
301.03650	0.6
357.15384	0.6
357.26407	0.7
375.16608	28.1
375.27478	23.5
376.16895	3.3
376.27844	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	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
55.58337	1.8
57.03442	3.8
58.00589	4.2
59.01380	100.0
60.01718	1.7
64.91768	1.7
65.00327	3.9
66.13252	1.5
69.23895	16.4
71.01384	57.2
71.04995	2.0
72.99305	9.7
73.02947	4.0
75.00858	3.9
76.94689	1.9
79.63283	1.6
83.01409	3.7
83.05016	2.9
85.02957	16.2
87.00878	5.4
89.02446	60.1
93.03474	3.6
95.01398	5.4
95.05023	4.9
96.12362	1.8
96.96009	7.6
97.06619	3.5
98.19829	3.0
99.00880	2.9
101.02438	33.7
102.02883	1.8
107.01410	4.7
107.05038	5.5
109.02975	2.6
111.00880	6.8
113.02457	21.9
115.07658	6.2
119.03503	21.1
121.02972	2.1
123.00891	5.4
125.02431	17.2
134.03680	2.4
137.02443	5.0
139.00348	2.4
139.11250	8.3
143.03551	2.3
149.02437	1.9
149.09669	2.0
151.00381	14.4
151.11284	51.3
152.11633	2.3
163.06264	1.8
166.01434	5.5
167.10759	2.8
169.01430	14.0
169.12349	4.3
177.09224	6.6
179.05585	3.0
181.12321	2.8
183.10255	2.3
185.11755	3.4
193.01468	2.5
193.12326	7.1
195.10262	82.9
196.10600	4.4
211.13405	4.1
212.00722	8.1
213.01529	20.9
213.11276	13.6
214.11737	2.2
217.14410	2.4
222.18091	1.8
243.12350	7.4
269.04611	2.5
269.09082	2.7
285.04022	3.3
299.04987	2.3
299.10461	2.9
300.05588	3.4
317.03076	9.9
361.30142	1.8
375.06738	20.3
375.11057	2.2
375.16177	3.8
375.20285	4.0
375.27454	16.7
376.07062	1.9
376.27789	2.1
396.94775	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46646	0.7
55.01871	1.6
57.03440	1.7
59.01377	54.7
61.98807	1.3
67.01893	1.8
67.92284	0.8
68.99827	0.9
69.03448	1.3
70.91614	1.8
70.91991	1.5
71.01379	9.7
72.99294	1.4
73.02941	2.1
79.01894	1.7
81.03437	1.4
83.01383	3.6
85.02948	9.4
95.01380	3.3
97.02965	2.1
99.00871	2.8
101.02453	7.3
107.01398	7.5
109.02918	1.8
109.12560	0.8
111.00897	3.7
112.98814	1.7
113.02452	2.6
123.00880	16.9
124.01688	1.1
125.02439	39.8
126.02762	1.6
127.00352	1.3
129.01926	1.7
135.04428	0.9
136.04007	0.8
136.98795	2.5
137.02411	2.4
138.03235	3.5
139.00352	7.6
139.04033	0.8
140.01193	4.7
140.02130	0.8
141.01918	1.8
145.01433	1.7
151.00357	12.9
153.01924	1.9
153.05574	31.6
154.05913	2.3
154.99850	3.3
161.04584	2.0
165.01872	1.6
167.03493	3.4
168.00606	6.2
169.01414	69.7
170.01782	2.7
175.23907	0.9
177.02003	1.0
179.03590	0.8
186.71939	0.8
191.01991	2.1
211.02434	3.7
223.02438	1.8
223.04370	1.6
223.08232	1.1
239.46236	0.9
245.04710	0.9
259.06042	2.0
303.05038	2.9
304.05316	1.1
313.05597	1.0
325.01950	1.2
357.04538	3.3
375.09283	100.0
376.09625	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	375.0932
Annotation	capsazepine
Peak:m/z	Relative Intensity
55.01881	1.3
57.03447	1.4
58.00577	0.9
59.01379	12.3
61.98835	5.0
67.01883	1.4
68.99844	0.7
69.03439	1.9
71.01379	11.9
71.50563	0.7
72.99321	2.6
73.02947	2.6
79.01883	1.4
82.25212	0.8
83.01391	2.8
83.77977	0.8
85.02949	6.4
87.00868	1.6
89.02437	2.5
95.01390	1.7
95.04978	0.9
97.02943	0.9
99.00909	1.5
101.02446	7.0
107.01385	6.4
109.02930	1.0
110.00129	0.8
111.00864	6.4
112.98832	1.9
113.02435	3.3
115.00388	1.0
119.03439	1.1
123.00890	17.4
124.01661	2.4
125.02454	34.5
126.02814	1.1
127.00375	1.9
129.01968	2.0
135.02954	1.0
135.04530	1.2
136.98816	2.5
137.02426	2.1
138.03209	1.9
139.00368	8.0
139.04025	1.1
140.01170	4.8
141.01892	2.3
142.99852	1.0
145.01410	3.9
149.02431	1.0
151.00371	12.9
151.03937	1.0
152.00677	0.8
154.05092	0.8
154.99861	3.3
161.04523	1.5
163.03951	1.1
165.02003	1.1
167.03505	2.5
168.00647	9.3
169.01425	56.9
170.01773	2.8
173.00902	1.8
183.02946	0.8
187.13922	0.9
191.01912	0.9
205.03424	1.3
211.02463	13.7
212.02835	1.0
212.31502	0.8
259.05927	1.3
264.09854	0.8
289.11050	1.3
303.05148	1.9
321.37238	0.9
325.01920	2.1
357.04684	1.5
375.09314	100.0
376.09680	12.1
376.14069	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01245	1.5
57.03442	6.2
57.39055	1.3
59.01378	92.0
60.01707	3.4
71.01382	6.7
72.99318	3.0
73.02959	2.9
75.00878	3.8
79.95731	1.5
81.03481	1.6
82.02987	1.9
83.01392	3.3
85.02952	4.9
85.06595	3.4
85.19258	1.4
87.00883	3.3
89.02467	3.7
93.03448	1.9
95.01414	2.3
96.96014	8.5
97.02986	2.0
99.00854	2.8
99.04528	2.5
101.02456	4.1
105.01947	16.3
109.02969	2.0
113.02438	3.4
119.05071	1.9
121.02953	11.9
123.00886	4.0
125.02443	31.6
133.02916	3.5
135.03036	3.6
135.04474	2.4
137.02475	3.4
138.03218	9.1
139.00423	2.8
139.07646	2.3
147.03000	3.1
151.00392	4.1
153.01933	2.6
153.05571	10.3
153.09299	1.7
155.10805	7.9
160.01697	1.8
161.02455	2.7
165.01901	4.4
165.12872	2.9
166.99657	1.3
167.03526	1.5
167.10782	1.6
168.00655	2.8
169.01422	17.5
176.01190	1.7
177.01936	21.3
177.05580	2.6
178.02675	4.1
185.15323	2.5
201.05539	2.9
207.13937	2.8
209.11871	7.6
213.14854	4.1
215.07059	2.5
225.14966	6.3
227.12875	38.6
228.13211	3.9
229.05063	6.6
243.06761	1.8
243.12369	3.5
249.06415	1.8
257.04572	14.9
257.13934	23.5
258.04846	1.7
258.14398	2.2
259.06079	5.2
267.04160	1.5
267.07156	1.7
269.04568	8.3
269.13925	11.9
272.06891	9.1
285.04178	3.2
287.05655	8.0
287.09286	8.4
287.14987	100.0
288.15381	8.7
295.04617	6.6
299.10266	7.4
300.05725	3.0
301.03592	5.5
313.05618	5.9
316.05789	8.2
331.08212	75.3
332.08466	9.2
343.09491	3.7
349.46759	1.5
375.07233	6.5
375.16693	39.1
375.20728	1.4
376.06351	2.4
376.17044	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	374.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49382	3.7
59.01383	100.0
71.23824	5.6
129.89755	3.0
192.21649	3.1
374.24301	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	374.9918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10498	2.8
58.41198	2.9
59.01100	5.3
59.01379	69.1
61.98829	16.2
69.64629	16.0
88.36230	2.8
96.95988	13.8
132.98152	4.6
166.91060	3.5
174.99234	26.6
210.90036	3.9
217.00296	100.0
218.00504	4.5
222.22510	3.0
248.95912	5.7
254.85611	37.9
258.81827	3.2
272.86768	3.8
302.93433	6.2
314.90143	4.1
374.80591	8.0
374.99329	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	374.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.4
60.92761	0.4
65.79680	0.3
69.45825	2.3
75.65263	0.4
82.30867	0.4
96.39903	0.3
100.07713	0.3
101.06073	1.2
165.10313	0.4
189.10374	0.6
232.10912	9.6
233.11195	0.6
274.28427	0.3
289.18024	1.4
290.18661	2.9
316.16617	1.0
318.18307	0.5
358.21207	1.0
374.24466	100.0
375.24789	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	373.2596
Annotation	oscr#24
Peak:m/z	Relative Intensity
50.64180	0.4
57.03433	1.1
58.00594	0.7
59.01371	2.6
64.03737	0.4
68.42912	0.4
69.03447	0.5
71.01379	0.5
71.05021	0.5
73.02941	0.9
83.01414	0.4
87.04504	1.1
96.96013	0.7
97.06579	1.4
98.20656	0.8
99.86271	0.4
109.02918	0.5
119.89531	0.4
121.02929	0.7
121.10236	1.4
123.08144	0.9
125.09688	0.9
135.01018	0.4
137.09714	0.6
139.11252	1.9
141.12807	0.9
151.11348	0.6
155.10710	0.7
157.12297	2.5
165.01874	0.4
169.01466	0.5
169.12317	1.3
171.13930	0.5
183.13820	0.8
185.11807	3.9
213.11325	0.9
215.12859	14.2
216.13281	0.8
256.23059	0.5
283.49408	0.5
285.21039	0.5
313.23724	1.6
325.23743	1.3
341.23337	1.2
342.23386	0.5
343.24878	10.0
344.25110	1.1
355.24844	3.2
371.24243	1.7
373.25922	100.0
374.26270	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	373.9897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60624	0.5
51.68071	0.4
56.31023	0.6
59.01377	100.0
60.01715	1.0
61.98827	5.6
69.16306	1.3
69.16730	4.0
69.29842	0.5
108.66338	0.5
113.04641	0.5
132.98230	0.5
153.68222	0.5
157.03554	5.0
159.01465	1.9
171.97356	3.0
174.99225	4.8
187.98918	3.8
201.02538	72.1
202.02670	7.4
217.00284	22.4
231.97763	15.7
374.99139	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	373.2595
Annotation	oscr#24
Peak:m/z	Relative Intensity
50.26693	0.3
51.16677	0.3
54.99894	0.3
57.03454	1.7
58.00587	0.7
59.01385	2.3
68.25967	0.3
69.03429	0.5
69.21593	0.5
69.21991	2.4
71.01377	1.0
71.05024	0.5
72.99288	0.4
73.02964	1.8
83.39759	0.2
85.02947	0.7
87.04510	1.3
88.04047	4.4
89.02457	0.7
89.04383	1.0
96.45845	0.2
96.95994	1.6
97.06587	1.2
99.04506	0.3
101.02458	0.4
102.19659	0.3
107.01366	0.3
113.02422	0.5
121.10224	1.3
123.00932	0.5
123.08154	0.8
125.02468	1.8
125.09747	1.5
127.11235	0.5
137.02443	0.4
137.09697	0.8
139.11296	2.0
141.09238	0.4
141.12840	0.8
147.02936	0.4
151.11340	0.4
153.09100	0.4
155.10751	1.3
157.12291	1.6
169.01407	1.1
169.12291	1.5
171.10268	1.5
185.11815	4.1
186.12074	0.4
197.11870	0.4
199.39641	0.4
213.11304	0.6
214.12018	0.6
215.12863	11.3
216.13261	0.8
243.15979	0.4
285.20685	0.4
296.54395	0.3
297.04514	0.6
313.23883	1.4
314.23926	0.4
325.23810	1.2
327.25381	0.4
341.23248	1.2
343.24854	7.4
344.25159	1.2
355.24918	2.9
371.24481	1.5
373.25912	100.0
374.26260	14.2
393.92609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03447	1.0
58.98649	0.6
59.01379	100.0
59.11119	0.6
59.40149	0.5
60.01719	0.8
69.03465	2.7
71.01381	8.9
71.53837	0.8
72.99331	0.8
73.02958	2.4
75.00873	0.8
77.72429	0.5
83.01408	1.5
85.02945	5.0
87.00909	1.2
89.02450	3.1
95.01371	0.9
97.03001	1.0
97.06602	0.8
99.00883	1.9
101.02427	4.7
111.00909	1.7
113.02438	3.4
119.03539	1.2
125.02477	1.8
129.01913	0.7
137.02515	1.7
153.09248	1.1
161.04613	1.8
169.01492	1.2
181.12508	0.9
183.10202	0.8
185.01025	1.1
193.12411	0.9
211.13403	6.1
212.13786	0.7
215.55223	0.6
225.05701	0.6
225.15062	1.0
255.12367	2.1
331.17691	1.7
362.48788	0.9
373.13815	1.7
373.18588	10.4
374.19022	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
53.68463	1.0
55.01887	1.0
57.03440	1.4
59.01381	100.0
60.01690	1.5
69.03448	4.0
69.50411	4.0
69.50829	2.6
71.01381	12.9
72.99291	1.5
73.02952	4.1
75.00895	1.2
80.36095	0.9
83.01380	2.7
83.05039	2.1
85.02964	7.5
89.02443	5.4
95.01381	1.8
95.05041	1.1
96.19383	0.9
96.96001	1.4
97.02970	0.9
97.06605	1.8
99.00874	3.2
101.02452	9.6
111.00878	4.0
113.02435	5.8
119.03484	1.2
121.31576	0.9
125.02445	3.3
126.19650	1.0
137.02464	2.1
161.04530	2.0
165.01839	1.1
169.01349	1.0
173.00945	1.0
181.05124	1.0
181.12392	1.0
185.00768	1.6
193.08693	1.3
197.11765	1.4
211.13393	18.0
212.13799	1.4
225.11391	1.0
225.15007	1.7
255.12514	1.2
310.74750	1.0
315.12753	0.9
331.17612	2.3
373.11551	1.5
373.18689	31.2
373.23151	2.0
374.19098	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	373.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	10.3
59.01373	84.2
62.41300	8.6
70.19486	21.8
71.01366	13.9
73.02937	16.7
74.38641	7.7
77.98986	8.0
81.03452	11.2
83.01375	11.9
84.07511	8.4
85.02938	10.3
87.04520	7.2
91.66512	6.6
95.01337	7.0
96.95998	8.5
101.02448	13.1
101.06081	17.6
109.02946	9.6
111.00877	10.6
117.72407	7.1
123.00870	29.9
123.04527	10.1
125.02457	84.5
126.02783	11.4
137.02422	35.0
139.11247	11.2
149.16412	7.3
151.00363	19.5
151.04025	15.6
165.09138	15.1
167.03552	7.8
169.01422	64.8
170.01733	15.3
181.12338	22.2
183.10321	10.1
183.59093	8.3
209.08147	22.7
210.08455	12.4
211.08664	29.7
216.13614	8.7
220.26097	7.0
225.11417	17.3
225.14870	21.7
243.12361	43.8
257.17801	8.6
271.06116	16.7
272.06393	8.0
285.04166	13.1
296.04257	26.6
296.54504	73.7
297.04587	13.1
355.09119	11.0
373.15097	18.8
373.25940	100.0
385.17160	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	373.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	6.3
59.01379	13.5
69.03447	1.7
71.01381	3.0
71.05006	2.5
71.55370	1.8
79.95721	1.6
81.03445	6.5
83.01411	2.2
83.04983	1.9
95.01413	1.5
95.05035	3.8
96.96008	46.4
97.02941	4.8
99.04510	4.7
108.02145	4.1
109.02969	7.1
111.08108	1.5
119.05011	4.0
121.02947	45.0
123.04517	2.5
125.02436	34.3
125.09705	1.5
134.03725	2.9
136.01677	8.6
137.02448	9.0
139.03978	3.7
145.12337	2.3
148.05290	2.1
151.03999	2.4
161.09727	4.1
163.03951	5.2
163.07584	2.1
164.01105	1.5
165.01913	41.5
166.02322	1.6
167.03485	37.5
167.04900	2.3
168.03841	2.4
171.10274	1.7
176.04721	1.6
177.09346	3.4
185.11809	6.4
189.09161	8.2
202.11444	1.7
205.08656	18.4
207.07133	7.9
207.10237	32.4
208.10500	3.0
215.12874	6.7
225.08011	12.8
229.08659	1.7
293.14020	6.8
301.20108	4.7
311.09143	1.8
313.23889	2.9
337.10706	2.4
343.24863	5.4
355.11652	2.7
355.24863	4.0
371.24695	1.8
373.05453	6.5
373.09311	3.6
373.13535	7.0
373.25903	100.0
374.26343	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	373.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54427	0.7
59.01384	5.5
59.53977	0.8
61.98811	1.6
71.01367	3.2
71.54542	1.1
72.99291	1.3
73.02933	0.9
83.01404	0.7
85.02937	3.1
89.02453	1.2
93.03435	0.9
95.01419	0.8
97.02956	0.8
99.93387	0.8
101.02429	2.8
108.02159	0.8
109.02931	1.2
110.00092	8.0
111.00941	1.2
113.02423	3.0
123.00840	1.5
124.01615	1.6
125.02438	14.3
130.55855	0.8
137.02402	1.5
137.99590	9.8
138.03098	0.9
139.00386	7.4
140.01143	1.4
151.00388	1.7
151.03998	1.8
152.01122	3.0
153.01930	100.0
153.09239	0.8
154.02649	7.7
155.03508	0.8
161.04477	1.5
166.02727	9.0
167.03485	9.0
168.04272	52.5
169.01424	4.2
169.05037	19.0
170.05348	1.0
181.05072	7.6
181.08641	4.3
194.99069	0.7
196.03668	1.6
211.06085	9.2
282.84882	0.8
305.06866	1.3
373.07434	1.2
373.11343	8.4
374.11569	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.2
57.03455	5.2
58.00579	1.5
58.42894	0.8
59.01379	23.3
59.94384	0.7
60.01699	1.0
67.01882	1.9
69.03449	2.1
69.37872	6.9
69.95397	0.7
71.01381	25.2
72.99297	2.9
73.02946	8.4
74.76443	0.7
75.00873	1.1
77.60173	0.7
79.01891	0.9
81.03450	3.5
83.01394	9.5
85.02947	17.0
86.00098	1.2
87.00882	2.8
89.02459	7.5
91.53138	0.7
95.01387	3.7
95.05032	1.4
96.04526	1.3
96.64465	0.8
96.95998	3.7
97.02935	3.1
99.00899	5.6
101.02442	23.7
107.01373	3.5
107.05042	1.4
109.02934	2.0
111.00883	8.4
111.04523	2.3
111.08168	1.4
113.02437	8.0
117.52298	0.9
119.03471	1.9
121.02927	0.9
123.00899	7.5
123.04523	26.2
125.02450	32.4
125.06060	3.4
126.02744	3.3
127.00330	1.1
129.01939	2.1
131.03513	0.9
135.04506	0.8
136.98814	1.2
137.02412	2.9
138.06871	2.1
139.00372	4.1
139.03999	1.3
139.07645	1.7
140.01106	2.8
141.01967	1.9
143.03514	1.5
147.03000	3.1
149.02443	3.1
149.06064	2.3
151.00363	9.7
151.04015	5.3
153.09196	5.2
154.99916	1.6
159.02954	0.9
161.04541	5.0
163.03998	1.6
163.11292	10.3
165.01892	1.1
165.05539	1.7
166.06357	1.3
167.03491	100.0
168.00658	1.9
168.03859	5.4
169.01430	11.3
173.00931	3.2
173.04607	0.8
177.01920	2.8
179.03461	0.8
181.05026	5.7
186.90645	0.9
191.03532	1.2
193.05080	9.9
193.08595	0.9
195.01062	1.0
196.07397	5.3
199.09584	0.8
207.10167	1.3
209.04514	1.1
211.06142	8.7
211.09789	10.0
211.13380	14.2
212.10271	1.0
225.07799	7.3
225.11316	19.7
226.11649	1.7
271.09824	1.6
326.30627	0.9
329.08609	2.2
329.19592	1.8
358.12000	0.8
360.40958	0.9
373.11264	41.6
373.15002	12.7
373.18719	18.6
374.11230	3.8
374.15359	2.2
374.19208	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
61.98849	77.0
64.89929	45.5
71.55163	50.3
78.45861	37.4
115.79346	38.3
217.43410	43.5
270.63205	39.8
293.14099	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	373.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.2
57.03455	5.2
58.00579	1.5
58.42894	0.8
59.01379	23.3
59.94384	0.7
60.01699	1.0
67.01882	1.9
69.03449	2.1
69.37872	6.9
69.95397	0.7
71.01381	25.2
72.99297	2.9
73.02946	8.4
74.76443	0.7
75.00873	1.1
77.60173	0.7
79.01891	0.9
81.03450	3.5
83.01394	9.5
85.02947	17.0
86.00098	1.2
87.00882	2.8
89.02459	7.5
91.53138	0.7
95.01387	3.7
95.05032	1.4
96.04526	1.3
96.64465	0.8
96.95998	3.7
97.02935	3.1
99.00899	5.6
101.02442	23.7
107.01373	3.5
107.05042	1.4
109.02934	2.0
111.00883	8.4
111.04523	2.3
111.08168	1.4
113.02437	8.0
117.52298	0.9
119.03471	1.9
121.02927	0.9
123.00899	7.5
123.04523	26.2
125.02450	32.4
125.06060	3.4
126.02744	3.3
127.00330	1.1
129.01939	2.1
131.03513	0.9
135.04506	0.8
136.98814	1.2
137.02412	2.9
138.06871	2.1
139.00372	4.1
139.03999	1.3
139.07645	1.7
140.01106	2.8
141.01967	1.9
143.03514	1.5
147.03000	3.1
149.02443	3.1
149.06064	2.3
151.00363	9.7
151.04015	5.3
153.09196	5.2
154.99916	1.6
159.02954	0.9
161.04541	5.0
163.03998	1.6
163.11292	10.3
165.01892	1.1
165.05539	1.7
166.06357	1.3
167.03491	100.0
168.00658	1.9
168.03859	5.4
169.01430	11.3
173.00931	3.2
173.04607	0.8
177.01920	2.8
179.03461	0.8
181.05026	5.7
186.90645	0.9
191.03532	1.2
193.05080	9.9
193.08595	0.9
195.01062	1.0
196.07397	5.3
199.09584	0.8
207.10167	1.3
209.04514	1.1
211.06142	8.7
211.09789	10.0
211.13380	14.2
212.10271	1.0
225.07799	7.3
225.11316	19.7
226.11649	1.7
271.09824	1.6
326.30627	0.9
329.08609	2.2
329.19592	1.8
358.12000	0.8
360.40958	0.9
373.11264	41.6
373.15002	12.7
373.18719	18.6
374.11230	3.8
374.15359	2.2
374.19208	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	372.093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46161	0.8
54.87157	0.8
57.03425	0.7
59.01371	3.0
61.98824	0.8
66.90538	0.8
69.33488	5.3
71.01382	2.1
75.72202	0.8
85.02948	1.3
89.02457	0.9
93.03451	1.2
94.03790	0.7
96.41420	0.8
101.02445	1.7
103.04293	1.2
104.05063	25.6
105.05408	1.0
109.02953	0.7
111.00877	0.8
112.01105	0.8
114.63495	0.7
120.04555	3.3
121.02938	5.3
122.03303	3.3
122.06105	1.6
123.04486	1.5
125.02430	5.4
137.02409	1.9
139.04013	1.1
142.73071	0.7
148.04037	49.1
149.04359	2.8
151.04076	1.5
152.01230	0.8
153.01929	3.3
153.05556	2.7
154.05878	2.9
160.04007	3.2
162.05606	1.3
166.05087	100.0
167.03564	1.9
167.05421	4.2
168.04317	2.3
169.01396	2.3
169.05099	2.0
173.04575	1.8
176.03566	1.2
176.51012	0.7
177.01886	1.0
178.02676	1.7
180.06604	1.4
180.57454	0.7
188.03525	1.5
191.05701	1.3
192.05934	1.2
193.05058	3.2
197.04593	7.3
197.49437	0.8
198.04887	7.5
199.05101	0.9
206.04575	8.9
206.45674	0.7
210.04066	81.6
211.04430	5.3
223.78670	0.8
224.05646	19.5
225.05853	1.2
243.03058	1.7
252.05110	26.2
253.05374	2.1
262.59549	0.7
282.06149	2.0
305.06711	1.0
312.07114	1.4
372.09763	2.3
373.07755	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	371.2438
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
50.70648	0.3
57.03434	1.1
58.42128	0.3
59.01373	2.0
62.09602	0.4
65.67652	0.3
71.05003	0.5
73.02948	1.2
82.35028	0.3
85.02942	0.6
87.04497	0.9
97.06580	1.4
111.48503	0.4
113.06069	0.4
119.86397	0.4
123.08173	1.5
125.02485	0.6
125.09719	3.1
127.77436	0.4
137.09732	0.9
139.11284	1.6
141.12863	1.1
153.09253	0.4
155.10799	0.7
155.88437	0.4
157.12318	0.8
161.10466	0.4
171.10274	6.8
185.11827	6.9
186.12230	0.5
213.11340	0.8
213.55186	0.4
214.12195	1.8
215.12791	1.2
228.13586	0.7
229.05438	0.4
231.17593	0.4
243.16028	1.1
311.22229	1.1
311.25800	0.4
323.22308	0.7
332.91339	0.4
335.22409	0.6
341.23331	6.2
342.23706	0.9
353.23160	1.0
369.22787	0.6
371.24359	100.0
372.24670	14.4
379.74496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2437
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
50.73873	0.4
54.76169	0.4
57.03441	1.8
58.00613	0.5
59.01380	5.9
68.69008	0.5
71.01379	1.9
71.05020	1.0
71.54049	0.4
73.02939	6.1
81.03481	0.5
83.01369	0.5
85.02946	1.3
87.04505	0.9
89.02460	0.6
95.05026	0.6
96.96008	1.1
97.06604	1.9
101.02428	0.7
104.54784	0.4
113.06149	0.4
116.09870	0.4
123.08151	1.7
125.02440	4.1
125.09741	2.5
137.02448	1.6
137.09743	1.2
139.11305	1.4
141.09132	0.7
141.12874	1.3
143.10805	0.6
151.00325	0.8
151.11264	1.1
155.10742	0.8
157.12395	0.5
164.01193	0.5
167.10800	0.6
169.01447	1.9
169.12305	0.9
171.10260	6.8
173.04608	0.5
175.04054	0.8
179.03534	1.0
185.11812	7.1
186.12088	0.4
203.07178	0.4
209.08144	0.6
214.12161	0.9
215.12836	0.6
228.13548	0.5
233.19006	0.5
235.84166	0.5
237.14944	0.5
243.15942	1.3
271.05893	0.6
277.21686	0.8
295.22873	0.6
296.04303	1.4
311.22266	0.7
323.22241	0.9
327.12360	0.5
327.25439	1.5
341.23355	5.9
342.23575	0.6
353.23337	1.7
354.23682	0.5
369.22852	0.7
371.24365	100.0
372.24707	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.9
59.01378	100.0
63.41769	0.7
71.01365	1.4
73.02955	3.7
73.71188	0.9
85.02948	1.3
88.88076	0.7
93.03476	0.9
98.12245	0.8
101.02423	1.1
103.45090	1.0
107.01416	1.1
111.00894	1.5
113.02419	1.0
123.00907	1.8
125.02434	2.8
125.09700	0.9
137.02423	1.5
139.00352	1.0
139.11307	1.1
147.94371	0.8
151.00371	1.5
153.12862	0.9
169.01421	3.2
171.10323	1.9
185.11887	1.7
186.12105	0.8
207.13893	8.4
225.14954	1.1
243.66537	0.8
251.12872	1.4
267.16089	2.3
289.08899	1.2
296.04358	3.2
327.25317	1.5
341.23407	1.8
353.23254	1.3
366.39999	0.9
371.12280	1.7
371.24374	31.0
372.24579	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	371.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43459	0.8
55.01865	1.5
57.03440	1.9
59.01381	100.0
67.36288	0.8
69.86375	0.9
71.01386	11.6
73.02957	4.4
75.00855	2.1
75.44386	0.8
76.66129	0.8
83.01366	2.2
85.02949	6.3
87.00861	1.3
89.02451	2.0
93.03457	13.7
95.01367	1.8
96.95995	2.0
99.00890	2.1
101.02431	8.1
111.00877	0.9
113.02461	5.7
121.02924	1.4
125.02460	4.8
129.24989	0.7
136.01643	0.9
137.02444	34.4
145.06203	2.2
153.09212	5.7
161.04480	1.6
164.04729	1.0
167.03525	1.2
169.01411	2.1
173.04578	1.3
173.11867	2.8
196.69835	0.9
197.08232	3.6
223.06075	1.1
226.34924	0.9
246.09071	1.2
249.06184	2.1
283.10883	2.5
291.14545	1.3
309.23886	0.9
327.09894	1.8
371.13458	43.7
372.13556	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	371.1347
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
53.68586	0.2
56.89817	0.2
57.03440	1.0
59.01372	0.9
59.49624	0.2
65.00327	0.8
69.32103	1.9
71.01374	0.2
81.03455	5.3
83.01356	1.1
86.69682	0.2
96.87111	0.2
99.08163	0.6
101.06081	0.5
107.01395	1.3
107.79833	0.2
109.02965	0.5
112.81091	0.2
121.90975	0.2
122.03729	2.3
123.00963	0.5
123.04531	0.3
123.08156	2.2
124.01664	0.3
125.02445	9.8
125.06078	4.7
126.02786	0.5
130.95663	0.2
132.23671	0.2
137.02452	0.5
139.00368	0.2
149.02420	0.8
151.00374	1.8
151.04053	0.4
156.80110	0.3
162.18678	0.2
165.09201	26.2
166.09512	1.9
169.01421	1.5
179.10739	0.3
183.25079	0.2
191.07127	0.8
205.08662	0.4
209.08183	100.0
210.08527	7.1
222.44571	0.3
233.08165	0.5
251.09250	0.6
271.06122	0.3
295.23224	0.3
296.04315	2.7
341.10477	0.5
371.13940	0.5
371.24405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
57.03445	0.8
59.01376	1.1
65.00327	0.8
68.99835	0.2
69.03432	0.4
69.48296	1.7
71.01382	0.5
73.02945	0.4
79.58060	0.2
81.03452	5.3
83.01376	1.1
83.04990	0.2
84.09244	0.2
93.03471	0.6
95.01415	0.2
95.05027	0.5
97.02950	0.6
99.08179	1.4
101.06075	0.7
107.01403	0.4
109.02959	0.4
121.02943	0.4
122.03733	0.9
123.00909	0.4
123.04550	0.4
123.08167	3.1
124.01624	0.3
125.02449	5.3
125.03335	0.4
125.06084	5.7
126.02806	0.4
126.06450	0.2
127.07682	0.4
129.09233	0.2
131.01352	0.2
136.05305	0.7
139.03986	0.2
141.09224	0.7
147.08182	0.3
149.02441	1.2
151.00362	1.2
152.01131	1.0
165.09206	37.1
166.09528	2.4
167.07133	0.3
175.00362	0.5
177.09259	0.2
179.03502	0.3
179.07108	0.6
181.08598	0.2
191.07098	1.3
193.08740	0.7
205.08653	0.9
207.10342	0.3
209.08179	100.0
210.08511	7.4
215.07112	0.7
221.08200	0.8
222.09010	0.3
223.09766	2.7
233.08170	25.8
234.08502	2.5
235.09804	0.2
251.09235	9.3
252.09464	1.1
263.09219	2.9
264.09644	0.3
281.10263	0.2
311.11292	0.8
328.63370	0.2
353.12451	0.3
371.13458	6.7
371.24261	3.4
372.13635	0.7
372.24594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1345
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
55.01868	2.6
57.03437	2.4
59.01382	100.0
71.01376	18.0
73.02951	5.7
75.87875	1.0
83.01391	3.4
85.02945	8.5
87.00883	2.0
89.02429	2.7
93.03462	24.5
95.01393	2.8
96.95995	2.7
98.07844	1.1
99.00872	3.3
101.02434	11.2
106.21538	1.3
111.00871	1.7
113.02451	8.7
123.00894	1.6
123.04498	1.5
125.02459	4.5
136.01636	2.2
137.02449	58.4
138.02769	3.4
153.09209	5.6
157.18413	1.1
161.04512	2.3
163.03941	1.4
163.11363	1.4
167.03523	2.1
168.03249	1.1
173.11809	2.8
179.03452	1.4
197.08156	4.2
221.04645	1.6
228.98720	1.2
283.10852	2.7
326.76578	1.2
327.09787	2.4
338.72382	1.2
371.13461	83.7
372.13684	9.2
392.97174	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15552	0.2
57.03456	1.2
59.01373	0.7
63.98505	0.1
64.96854	0.2
65.00311	0.8
65.90369	0.1
67.01884	0.2
68.06392	0.1
71.01378	0.3
74.20345	0.1
78.94524	0.1
79.78283	0.1
80.02712	0.1
80.61983	0.1
81.03459	5.7
81.84296	0.1
82.03771	0.2
83.01385	1.4
83.05017	0.3
85.02991	0.2
91.44758	0.1
93.03462	0.2
95.01393	0.2
95.05045	0.2
96.95963	0.3
97.02971	0.2
99.08171	0.6
101.06094	0.5
107.01393	1.2
109.02965	0.4
110.38723	0.1
112.16599	0.1
121.03007	0.2
122.03743	2.3
123.00905	1.1
123.04530	0.6
123.08165	2.3
124.01668	0.2
125.02451	10.4
125.06091	4.6
126.02817	0.3
135.51195	0.1
136.26320	0.1
137.02446	1.1
137.09651	0.2
139.00357	0.2
139.03983	0.2
141.09242	0.3
145.02965	0.3
147.64746	0.2
148.01608	0.2
149.02481	0.8
151.00380	2.6
151.04018	0.5
152.01068	0.2
165.09207	28.1
166.02740	0.2
166.09544	1.6
167.03471	0.3
167.07155	0.2
169.01418	1.8
176.04742	0.3
179.03455	0.2
179.10783	0.2
191.07121	0.9
192.87465	0.2
205.08794	0.4
209.08185	100.0
210.08537	7.6
210.10117	0.1
220.03827	0.3
227.02751	0.3
229.02090	0.2
233.08209	0.6
245.08173	0.2
251.09267	0.9
271.06061	0.6
289.07205	0.3
296.04318	3.4
303.04871	0.2
371.13406	0.9
371.24207	0.8
372.13974	0.2
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	Macrosphelide J
Peak:m/z	Relative Intensity
51.84668	1.2
55.01871	3.5
58.00577	3.6
59.01378	100.0
69.95398	1.7
70.85392	2.6
71.01006	2.2
71.01383	43.6
72.01685	1.3
72.99281	4.6
73.02938	2.1
83.01376	3.5
83.68509	1.5
85.02950	11.3
87.00867	2.2
89.02442	53.7
95.01383	3.1
99.83655	1.2
101.02441	27.4
111.00870	2.5
113.02441	16.9
119.03504	24.4
121.02954	5.2
125.02423	1.7
131.03499	2.1
136.05304	2.2
143.03497	2.5
147.08066	2.2
151.82877	1.2
161.04614	2.3
164.04744	3.0
179.05554	2.3
226.55154	1.4
371.09772	3.2
371.13446	79.4
372.13812	10.9
374.31940	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1193
Annotation	D-alpha-D-Hep-(1->6)-beta-D-Glc
Peak:m/z	Relative Intensity
55.01877	1.5
57.03451	2.5
58.00584	1.8
59.01381	38.8
59.01686	2.0
61.98829	1.7
64.76398	0.7
69.03462	9.6
71.01386	26.0
71.51534	1.2
72.01719	1.1
72.99303	4.6
73.02952	3.3
75.00874	13.6
83.01384	2.8
85.02951	16.4
87.00877	22.3
89.02442	24.6
93.03482	2.0
95.01389	2.8
96.96001	0.9
97.02953	9.0
99.00894	2.7
101.02444	17.1
101.03094	1.3
102.02799	1.3
109.02962	4.8
109.30830	0.8
110.02542	1.0
111.00880	1.7
111.04569	0.8
113.02464	11.5
115.04060	1.1
118.92560	0.8
119.03514	8.4
121.02969	4.2
123.04572	1.0
125.02499	1.1
128.03532	1.7
129.01930	2.7
131.03452	1.1
135.04530	6.9
137.02452	1.1
141.01923	2.1
143.03526	2.0
147.04535	2.2
149.04536	0.9
149.06015	1.0
151.04008	1.1
153.05580	2.9
155.03522	1.2
159.03008	1.5
161.04601	2.6
166.08722	1.5
169.01445	1.0
173.01112	0.8
173.04524	1.7
174.75505	0.8
179.05624	2.8
191.05696	5.7
197.04597	8.9
205.05148	2.2
210.07729	3.7
223.06013	1.2
231.03035	2.0
235.06140	1.1
251.06625	0.8
321.08386	1.4
371.11975	100.0
372.12308	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	371.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	15.8
59.01376	5.3
69.03477	2.0
69.29130	9.7
69.29563	7.2
71.01366	2.8
76.38267	1.9
81.03440	3.8
83.01369	10.0
93.03465	3.3
95.01487	1.6
95.05042	3.0
97.02961	6.2
98.19936	4.2
109.02959	8.9
110.75903	1.7
121.02973	2.8
123.04513	2.5
125.02452	89.6
126.02790	5.6
135.04523	5.2
137.02451	100.0
147.04550	6.3
148.05318	10.3
150.03210	2.3
151.04025	3.5
159.04482	1.9
161.02440	5.1
162.03242	6.2
162.06902	2.3
163.07643	17.2
164.01175	7.2
165.01941	10.0
167.03555	1.9
172.05321	10.1
173.02391	2.1
174.03186	7.6
175.04012	10.8
177.01926	2.9
177.09201	6.4
179.03506	17.1
185.06067	2.0
187.03978	2.9
187.07631	34.1
189.01955	28.3
190.02747	39.0
191.03221	3.4
191.07130	32.4
192.07489	2.9
200.04730	2.2
202.02698	18.2
203.03462	12.1
204.04201	3.4
204.07870	2.7
205.08649	15.8
213.05591	5.1
215.07118	59.0
216.07597	5.4
217.08711	2.5
227.07216	2.8
232.07405	32.6
233.08180	90.5
234.08516	7.7
241.04953	3.5
245.08188	48.3
246.08508	3.5
269.08130	2.2
285.11359	6.1
327.12363	3.8
343.11865	6.3
349.39883	2.0
353.10211	7.2
371.11313	42.1
371.24365	5.5
372.11694	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	371.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	4.5
59.01100	2.4
59.01378	32.1
62.76954	1.4
64.38157	1.4
65.68292	1.8
67.01875	1.9
69.03456	3.3
70.08076	2.4
70.08429	6.0
71.01379	21.9
72.99299	6.3
73.02949	2.9
73.38126	1.6
75.00873	23.1
77.19196	1.5
79.71685	1.8
81.03461	2.4
83.01369	1.9
83.05004	1.7
85.02950	27.0
87.00867	7.7
89.02447	6.8
93.03418	2.3
94.83812	1.4
95.01402	8.4
96.95979	4.7
99.00880	13.1
101.02432	2.5
103.00379	4.2
111.00877	2.1
113.02446	30.3
113.66287	1.8
115.00349	3.1
117.01902	3.9
121.02960	100.0
122.03290	3.7
123.04508	5.7
125.02416	6.2
129.01964	2.8
147.03014	1.5
149.02429	5.6
164.04782	3.7
165.03952	3.0
167.03491	18.6
175.02412	3.1
209.04517	4.4
223.06091	4.5
231.05070	6.8
243.02872	1.7
249.06154	80.8
250.06529	5.5
353.08588	1.8
371.09750	45.2
371.16876	2.3
372.09799	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	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44611	0.4
57.03442	1.4
59.01381	8.4
59.95881	0.4
60.99300	0.6
67.01889	6.3
68.99831	0.4
69.03443	1.2
71.01380	7.7
71.54103	0.6
72.99302	0.6
73.02937	0.5
78.09150	0.3
80.05058	1.3
81.03448	1.1
83.01382	1.1
83.05047	0.9
85.02943	3.7
87.00854	1.1
89.00352	0.7
89.02447	3.0
91.01920	0.7
93.03456	29.6
94.03808	1.2
95.01385	0.9
96.95967	0.7
99.00827	0.6
99.04515	0.6
101.02448	2.4
106.00598	1.4
109.02946	1.1
111.00878	8.8
111.04516	5.5
113.02460	1.7
119.03489	1.9
121.02959	12.6
122.03288	0.7
122.06152	2.2
123.00895	0.7
123.04529	0.9
125.02440	2.2
127.04037	0.6
129.01936	0.6
135.04533	0.8
137.02469	4.6
139.00253	0.4
143.03503	0.7
149.02496	0.5
153.05562	8.4
154.99866	1.1
155.03508	4.0
161.02460	0.5
161.04533	0.5
164.04727	0.6
164.08400	2.8
166.05093	2.9
167.03459	0.4
169.01376	1.3
173.04541	100.0
174.04897	4.7
177.01974	0.4
179.03561	0.7
180.06654	0.8
191.03706	0.4
191.05589	1.5
197.04543	15.9
198.04897	1.1
203.08357	0.5
208.06081	0.4
223.06053	1.2
285.03741	0.6
327.04767	0.5
364.55750	0.4
371.09601	2.0
371.13504	5.0
372.13974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06663	1.1
55.35581	1.0
57.03434	2.6
59.01383	17.3
61.98821	2.3
67.01885	5.4
71.01382	6.4
71.55302	1.2
72.24799	1.2
72.99306	2.2
73.02952	1.5
74.02506	1.9
81.03452	2.1
83.01402	4.0
83.05037	2.2
85.02954	13.6
87.00873	5.8
89.00341	1.9
89.02455	1.8
91.01897	2.5
93.03452	26.6
97.02942	1.5
101.02452	3.7
106.00587	3.4
107.01410	1.2
109.02957	2.3
111.00889	26.1
111.04522	5.7
113.02427	2.1
117.06214	1.2
121.02955	55.6
122.06120	1.9
123.00815	2.3
123.04521	5.4
125.02451	14.0
127.00353	2.2
129.01939	4.1
130.55939	1.4
133.02939	1.3
135.04526	1.8
137.02440	4.0
138.03224	2.3
139.00386	3.0
139.03935	1.2
148.72632	1.2
149.02438	3.4
149.06076	3.9
151.04001	2.2
153.05577	37.8
154.02620	1.5
154.05930	2.1
154.99846	4.6
155.03471	5.2
161.02441	1.9
165.01933	2.0
165.05594	2.9
166.05103	5.2
167.03517	2.5
169.01369	6.9
173.00949	6.9
173.04541	50.0
177.01921	4.5
179.03433	2.2
182.02193	2.9
191.05598	31.3
197.04547	100.0
198.04855	4.9
210.04027	1.9
241.03407	2.0
285.03809	2.3
327.10693	1.8
370.24811	1.3
371.05759	2.6
371.09674	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	371.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.1
59.01369	5.5
61.98827	3.5
67.01881	3.6
69.03440	2.2
69.45720	5.9
71.01376	5.3
79.01820	1.4
81.03474	2.9
83.01392	3.3
83.04117	1.0
85.02943	10.5
87.00887	3.6
89.00327	3.4
91.01915	1.7
92.43480	1.2
93.03455	18.3
95.01405	1.4
97.02928	2.6
98.20631	2.2
104.05070	11.6
106.00613	4.0
107.01377	7.7
109.02946	1.3
111.00875	13.6
111.04522	6.2
114.51440	1.3
120.04517	1.8
121.02951	59.3
121.08316	1.1
122.03857	1.4
122.06129	1.6
123.00871	5.3
123.04509	4.2
123.44465	1.1
124.01692	1.6
125.02441	59.1
126.02824	2.0
127.00388	1.6
129.01938	24.1
135.04486	1.7
137.02460	2.4
139.00360	3.5
139.03996	2.1
140.01114	1.9
141.01898	1.6
148.04041	31.6
151.00392	2.5
151.03941	1.8
152.01154	4.0
153.05566	40.5
154.05905	1.7
154.99777	1.3
155.03500	3.6
160.04079	1.8
161.02371	1.5
165.05586	2.1
166.05083	61.6
167.03426	1.5
168.00603	3.0
169.01418	94.2
170.01796	4.9
173.00893	2.4
173.04539	33.7
174.04886	1.6
179.03383	1.1
182.02151	2.7
191.05602	28.6
192.05923	2.1
197.04546	100.0
198.04857	4.0
206.04530	5.5
208.00073	2.7
210.04054	46.2
211.02441	6.8
219.05130	4.6
224.05667	10.4
241.01186	2.4
241.03543	36.3
242.03941	2.8
252.05145	12.9
267.05017	5.7
309.06299	3.5
325.05627	1.8
327.07205	4.2
371.06131	57.0
371.09933	3.8
372.06448	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	369.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
63.02397	0.9
65.00314	2.9
67.95110	0.4
70.44048	1.4
71.01389	1.1
73.02934	0.4
81.03429	0.5
83.01380	2.0
88.04045	0.5
96.96009	1.6
107.01390	6.6
110.17845	0.4
119.43125	0.4
121.06608	0.5
121.24155	0.4
125.02480	2.0
137.02452	0.4
149.02321	0.6
151.00371	29.2
152.00706	1.3
163.07646	2.5
165.05540	0.6
183.02954	0.6
191.03500	1.8
205.05113	0.5
206.05823	3.3
207.06618	100.0
208.06934	7.2
221.08151	0.5
231.06641	1.1
249.07768	2.1
369.11880	49.9
370.12161	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	369.3009
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
52.24331	1.7
69.71733	10.5
98.41629	1.6
108.77837	1.6
111.86189	1.9
149.09743	3.6
150.10072	3.4
151.10347	2.9
206.16396	2.3
207.16827	2.6
246.17337	1.6
307.30063	59.8
308.30438	9.7
325.31195	2.5
351.29034	19.1
352.29657	3.9
369.30276	100.0
370.05927	1.8
370.30444	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	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60587	12.9
55.94733	11.6
59.01365	34.8
61.98828	37.1
65.55725	15.7
74.31061	14.2
96.63543	13.9
106.26419	12.5
111.66267	13.4
112.10764	15.7
121.02949	100.0
164.46945	13.1
171.88251	17.0
192.91510	13.1
352.19214	27.8
352.53021	13.4
364.72781	14.1
365.63409	16.4
370.20123	14.2
371.11392	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00206	0.8
58.42149	0.9
59.01342	1.9
61.98830	100.0
64.15903	0.8
71.20863	1.3
84.80497	0.9
106.49217	0.9
109.02983	0.9
116.05039	0.9
125.02407	1.6
134.03743	5.1
135.04071	5.0
137.02432	1.5
193.05049	5.4
194.05388	7.3
203.08224	1.2
231.72664	0.9
283.03873	3.6
290.04324	0.9
296.26706	1.0
305.06516	3.7
325.04929	3.3
329.00073	0.9
368.10757	1.4
368.20557	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.7
59.53028	0.7
61.98830	100.0
64.78627	0.7
69.63280	4.3
71.01391	1.0
76.61838	0.7
83.97107	0.7
85.02963	0.8
125.02467	3.0
150.05608	1.6
165.01935	1.1
167.03506	0.8
171.13609	0.8
305.06696	4.8
330.12161	1.1
354.93573	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.6
57.39924	1.1
58.02968	5.4
59.01396	5.8
66.08219	1.2
67.71922	1.1
70.02965	6.6
71.01379	3.2
71.55764	2.1
72.00900	4.2
73.02966	1.4
74.02473	45.1
79.95736	25.3
85.02956	4.0
87.00891	2.1
88.52094	1.2
89.54706	1.1
96.92536	1.1
96.96010	7.2
97.02927	1.7
98.02483	9.9
99.00873	2.3
111.00870	1.4
111.04642	1.1
111.66402	1.1
113.02449	4.2
116.03555	15.4
116.05062	23.1
116.05838	2.0
121.48637	1.1
130.06624	1.5
142.06621	43.7
143.06967	3.1
145.03032	1.3
157.07666	8.9
159.09293	6.5
161.62479	1.2
163.04106	1.2
165.05495	1.7
169.01468	1.5
170.50313	1.1
174.79672	1.1
186.05634	2.4
192.00665	2.1
196.00734	2.8
199.08699	1.3
201.10332	4.9
203.08252	58.3
204.08514	3.6
206.02138	2.2
207.02980	3.3
207.06625	1.6
209.01523	1.6
222.02286	31.9
223.02631	2.1
237.03423	13.4
238.01724	2.7
241.00537	3.1
245.09293	41.4
246.09624	3.7
249.06067	1.5
283.03937	100.0
284.04221	9.6
325.04968	99.3
325.08975	2.1
326.05185	10.6
351.02893	1.8
369.03857	9.9
369.08179	3.8
369.12119	2.1
370.11823	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	367.2642
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
51.12924	0.5
59.01374	0.8
69.27543	0.5
70.38530	1.6
88.49249	0.5
133.06606	8.5
144.77489	0.5
149.09726	82.3
150.10071	4.6
156.36345	0.5
194.09595	0.6
205.15965	48.8
206.16313	4.3
231.96693	0.5
255.69643	0.5
295.17059	3.0
328.16821	1.4
367.26398	100.0
368.26727	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	367.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.8
65.71587	0.6
67.48226	0.6
70.07941	1.2
70.08340	0.9
93.53999	0.5
99.88171	0.4
111.40184	0.5
117.97235	0.5
133.06584	2.4
149.09718	80.8
150.10045	5.3
175.86929	0.5
189.12791	1.0
191.67398	0.5
193.45511	0.6
205.15965	78.7
206.16309	7.8
290.55530	0.6
367.26410	100.0
368.26761	17.8
378.75259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33669	0.8
61.98829	100.0
64.12040	0.7
71.24041	1.4
74.02485	1.8
75.44547	0.7
79.95750	0.8
103.55613	0.9
106.18326	0.8
116.05039	1.0
125.02431	3.6
134.03738	3.1
135.04083	1.3
193.05013	3.0
194.05389	3.4
203.08240	2.4
213.23636	0.8
222.02231	1.0
245.09380	1.1
283.03873	4.2
305.06760	4.9
325.04907	2.7
325.56055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2026
Annotation	Methoxyfenozide
Peak:m/z	Relative Intensity
50.35613	0.4
55.74505	0.3
58.48927	0.3
58.99691	0.4
59.01376	1.1
61.98833	0.8
66.36168	0.3
68.16956	0.4
71.08564	0.9
91.04004	0.7
96.96020	0.4
105.07092	5.9
106.07484	0.4
121.02969	0.5
122.03703	0.7
146.02444	1.7
149.06082	100.0
150.06415	4.9
165.05577	1.3
197.96233	0.3
204.13988	2.7
293.21246	4.4
294.21570	0.7
307.10434	0.4
311.14172	1.0
367.20245	23.4
368.20612	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	367.249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27806	1.4
59.01379	10.5
61.98832	3.8
64.27731	1.6
66.38269	1.7
70.23201	1.7
71.53821	3.3
89.02441	2.5
91.03998	11.4
122.06535	2.0
147.18001	1.9
149.06088	5.7
155.62090	1.5
158.98413	1.4
161.04657	1.8
163.45576	1.6
195.13870	6.5
223.13368	6.5
256.13083	1.9
275.20242	6.2
293.21231	100.0
294.21460	12.0
307.10300	2.1
353.01791	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.0
61.98829	100.0
69.54916	8.1
71.01363	4.1
83.01384	1.7
85.02923	1.9
96.96017	13.6
101.02418	2.2
113.02426	1.9
125.02457	4.5
134.03622	2.5
169.01387	5.7
193.05133	1.5
262.14517	2.0
273.00433	2.5
306.12766	6.7
366.16980	4.5
367.10202	2.4
367.14218	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	367.1033
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
52.67106	0.5
59.01379	0.9
65.41977	0.5
69.28008	4.8
83.05019	1.0
84.35330	0.5
85.02955	1.2
89.03973	1.6
91.91405	0.6
93.03458	2.4
96.96005	1.0
98.20580	1.0
108.37927	0.5
111.04518	2.2
117.03475	9.4
119.04988	0.8
127.04019	1.0
134.03741	100.0
135.04091	4.8
137.02486	0.7
149.06090	6.8
155.03482	2.9
163.03970	0.7
164.56340	0.6
167.03468	1.1
173.04544	5.4
191.05603	9.4
193.05049	99.7
194.05351	6.7
367.10220	6.0
368.10150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2695
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01380	4.7
78.82278	1.2
80.47327	1.2
85.06585	3.3
91.80020	1.1
96.95998	2.0
98.20774	1.8
110.14750	1.4
113.35600	1.0
124.74854	1.4
247.89725	1.2
261.18698	1.8
279.19626	19.3
280.20035	1.2
343.11905	1.3
347.25769	6.8
365.26938	100.0
366.27316	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	365.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39572	32.9
59.01376	99.7
65.40977	29.1
70.50082	100.0
119.04237	32.7
130.80908	29.6
180.17041	31.2
262.48712	33.0
283.26416	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48887	0.6
57.03424	0.8
59.01381	5.4
69.48814	4.5
83.05042	0.9
95.05030	1.3
96.95995	2.8
111.08163	10.4
121.10249	0.7
145.03177	0.7
167.10757	1.4
168.77962	0.6
177.12788	2.1
179.10739	1.2
185.11856	1.5
187.17323	0.7
195.13927	5.9
196.14197	0.7
247.20717	1.8
253.72287	0.7
273.18640	1.3
291.19650	100.0
292.20007	13.0
308.57504	0.7
365.19882	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24810	0.6
55.62369	0.6
57.03456	1.1
59.01379	3.9
71.01399	1.0
71.53806	0.9
74.51404	0.6
83.05032	1.1
91.04028	0.8
95.05039	0.7
96.96008	1.8
109.26678	0.7
111.08165	11.6
112.08469	0.6
113.09747	0.6
137.09697	0.7
149.09721	0.6
167.10739	2.1
169.64258	0.6
177.12843	1.5
179.10783	1.5
185.11874	1.1
195.13922	6.7
203.14391	0.6
207.02960	0.6
230.98550	0.6
247.20728	2.0
258.03186	0.6
273.18542	1.1
291.19666	100.0
292.19989	12.2
309.14600	0.7
365.19724	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	32.0
61.98828	100.0
69.27150	49.7
69.27573	49.4
71.01373	17.4
74.62589	9.9
96.96020	69.6
98.20678	22.6
123.00893	18.2
125.02427	26.5
151.00383	13.1
169.01428	32.2
193.48103	11.1
204.08640	12.8
224.14809	12.8
325.05698	13.9
328.44290	12.6
342.11728	11.6
351.16907	12.1
365.16333	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	365.0312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.33706	2.8
61.98814	3.2
71.51332	3.9
118.96906	6.8
141.01711	4.1
192.95842	13.1
198.65701	2.8
201.02536	86.2
202.02609	10.3
206.82419	13.4
207.93416	5.6
217.00287	4.0
269.73154	3.1
283.02695	5.5
322.91595	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	362.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70874	0.7
56.76973	0.6
59.01373	1.2
61.56752	0.7
61.98829	100.0
79.03719	0.7
88.71012	0.6
98.19908	2.4
209.94901	0.6
263.42154	0.7
274.00757	0.7
362.19595	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01708	1.3
70.28802	2.2
70.29162	1.4
71.01380	1.3
73.02967	0.8
77.40380	0.8
79.95741	1.7
96.96006	4.8
169.01385	0.8
201.11279	1.0
223.48654	0.8
363.11108	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	364.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01212	6.4
52.86911	6.3
59.01371	20.5
61.98833	100.0
65.55547	6.0
69.69250	44.0
95.72668	6.7
96.96012	35.8
118.66674	7.0
120.58784	5.7
124.01572	6.8
125.02422	20.1
134.53075	7.7
148.39546	7.7
151.00340	7.9
166.04866	7.1
169.01387	23.8
282.21872	7.5
288.10864	8.6
364.11615	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	361.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	100.0
70.98563	22.1
80.52805	28.9
95.23872	25.2
96.62396	22.8
103.98159	28.8
130.53398	23.5
154.92323	24.6
163.75812	25.7
200.71350	28.2
202.06987	24.3
250.83298	27.2
329.74890	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.9889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95104	0.3
59.01377	9.0
60.01708	0.6
61.01792	0.5
61.98827	100.0
66.46184	0.4
67.99269	0.3
70.93358	0.7
74.71297	0.3
74.73421	0.2
79.55415	0.2
98.02222	0.3
134.44452	0.3
159.97406	0.4
174.99228	0.7
175.99608	0.5
177.96675	0.5
178.98541	0.6
201.02531	1.1
203.99963	4.7
204.02727	0.8
205.00157	0.7
206.97435	0.6
210.54822	0.3
217.00224	2.5
218.00560	2.3
219.00465	0.5
219.97737	49.8
220.97620	0.3
220.99718	3.0
266.01413	0.3
277.96948	0.8
277.99551	0.4
313.81595	0.3
319.98004	1.1
320.01093	0.5
361.98660	3.7
362.99637	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66989	0.8
59.01097	1.5
59.01380	19.0
62.62233	1.0
70.50132	2.3
77.11599	0.7
86.41235	1.1
88.92836	0.7
93.35955	0.8
100.63984	1.1
104.23914	0.8
140.35770	0.8
181.81410	0.8
185.93567	0.9
239.01962	0.9
279.23279	100.0
280.23642	10.8
345.45065	0.8
355.94345	1.0
361.15445	3.9
361.23557	16.7
362.15430	0.9
362.24167	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	361.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00259	1.2
57.92966	1.3
59.01379	6.4
61.98830	3.0
70.40251	1.1
71.01384	3.8
71.55243	1.8
79.29240	1.1
79.95729	1.8
85.02943	2.6
89.02429	2.5
91.34884	1.1
95.05042	1.8
96.96024	3.5
97.02922	1.5
99.00872	1.5
99.88976	1.3
101.02461	2.9
107.03792	1.7
110.06109	5.4
113.02475	1.7
119.03752	1.6
121.05355	1.9
121.69465	1.2
122.06110	14.2
132.04593	2.4
134.06120	1.6
137.05959	1.2
143.65186	1.2
144.04567	6.3
145.05336	16.1
146.06151	9.4
148.04037	2.8
159.03252	3.4
160.04030	55.7
161.04803	25.3
162.05507	2.5
169.01398	1.7
176.03502	9.4
177.04321	8.9
188.03558	3.0
189.04314	76.1
190.04805	6.9
192.02997	3.5
193.03769	17.3
213.11356	1.9
220.06148	1.7
221.03340	16.0
221.06871	21.6
222.07098	1.8
225.78072	1.3
231.11417	3.4
240.04146	1.9
243.11435	4.5
244.11671	1.4
253.05876	5.0
255.11383	17.1
256.11581	1.8
267.11362	30.3
268.11597	3.2
271.10962	1.4
283.10785	3.1
285.06070	2.3
285.12485	3.2
298.08408	1.5
299.10327	15.9
302.24243	1.2
311.10370	40.9
312.10721	3.7
313.10886	3.4
329.11395	16.3
331.09045	2.0
331.12952	24.4
332.13248	2.3
343.12964	100.0
344.13327	13.0
361.09738	6.3
361.14105	24.3
362.14316	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	361.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08491	1.0
59.01376	2.6
71.01396	2.7
73.02954	1.1
79.03075	1.1
79.95760	1.3
85.02968	1.4
92.05070	1.2
95.05060	1.8
96.95986	5.6
110.06127	5.8
116.05036	1.6
120.04527	1.6
121.05309	2.8
122.06129	15.9
131.03767	1.3
132.04509	4.3
144.04544	4.3
145.05301	15.9
146.06131	10.8
147.06361	1.3
148.04041	2.5
152.03546	2.7
159.03255	5.4
160.04034	58.9
161.04816	28.7
162.05472	2.9
176.03526	12.1
177.04298	9.8
188.03546	4.6
189.04315	74.2
190.04872	6.3
192.03078	3.2
193.03790	12.5
203.05917	2.2
212.27242	1.4
220.05922	1.8
221.03365	17.4
221.06908	18.9
222.03548	1.6
222.07387	1.6
223.51059	1.6
224.10689	1.6
225.00316	1.2
231.11412	4.6
243.11473	6.6
253.05942	8.9
255.11406	12.6
256.11600	2.0
267.11374	30.6
268.11819	3.3
271.10995	2.0
283.10635	2.8
285.12396	4.3
297.84241	1.3
299.10388	12.3
311.10397	40.9
312.10541	4.1
329.11475	16.5
330.11581	1.8
331.08749	2.4
331.13000	21.5
332.13144	1.7
343.12970	100.0
344.13315	12.0
361.09872	2.4
361.14035	25.2
362.14142	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	361.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87418	1.1
58.30798	1.0
59.01377	7.1
63.28793	1.1
71.01378	2.8
71.53510	1.2
72.99326	1.1
75.00863	1.2
77.96555	1.0
79.95713	1.6
85.02965	2.1
90.20583	1.0
96.96012	7.2
101.02423	1.8
104.05054	1.3
108.02198	1.5
108.04592	1.2
110.06111	4.2
113.02475	1.5
116.05076	1.8
118.06612	1.6
118.11423	0.9
120.04527	1.5
121.05350	2.6
122.06131	13.6
123.00908	2.1
125.02429	2.0
132.04561	3.7
137.38948	0.9
144.04552	5.9
145.05318	18.3
146.06140	8.8
147.03163	1.5
148.04054	3.7
148.76077	1.1
152.03561	2.3
159.03255	4.8
160.04036	56.7
161.04836	29.4
161.47466	1.0
162.05466	4.4
164.03595	1.3
175.02719	1.5
176.03508	11.8
177.04329	11.5
187.09775	2.3
188.03491	4.5
189.04308	77.7
190.04781	7.3
192.03020	3.5
193.03795	18.4
203.05852	1.9
204.06659	1.3
213.11267	1.1
220.06110	1.3
221.03311	15.7
221.06883	16.6
222.03531	1.4
222.07347	1.5
231.11475	2.6
243.11354	6.0
253.05879	6.7
255.11375	16.9
256.11667	1.9
267.11374	28.5
268.11707	3.6
271.10843	2.0
283.10910	3.9
285.06018	2.2
285.12427	4.9
299.10345	16.2
300.10629	1.7
311.10379	45.1
312.10645	6.0
329.11371	16.7
331.08432	3.1
331.12967	21.1
332.13043	2.6
343.12961	100.0
344.13379	12.1
361.05899	3.3
361.09525	4.0
361.13977	22.3
362.14383	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	361.114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83318	0.8
54.99650	0.8
57.03448	1.8
59.01099	1.1
59.01379	15.3
61.98846	0.7
67.01875	0.9
69.85973	0.8
70.09047	0.8
70.93726	0.9
70.94061	1.3
71.01379	6.3
71.61307	0.7
73.02927	1.2
83.01383	2.0
85.02935	6.6
87.00868	2.1
89.02442	3.7
96.96004	1.2
97.02958	1.1
99.00891	1.2
101.02437	5.1
107.01377	8.7
111.00893	1.3
113.02451	2.8
117.29535	0.7
119.03460	1.2
123.00885	16.4
123.04543	1.1
124.01644	3.2
125.02448	45.2
126.02778	2.2
129.01949	3.6
137.02400	1.4
138.03223	8.9
138.05563	1.0
139.00378	2.1
139.04002	3.3
140.01161	3.3
141.01927	0.7
148.00354	0.7
151.03984	1.6
159.03029	1.7
161.04526	4.6
164.98351	1.5
165.01915	1.4
165.16985	0.7
168.00597	3.3
169.01421	100.0
170.01767	4.3
177.01923	1.6
177.04066	1.4
181.05077	1.2
182.99487	1.3
191.01950	1.1
201.17583	0.7
209.03043	3.5
209.06660	8.7
211.02402	3.9
240.00998	0.8
241.03546	4.4
271.04581	7.5
301.09152	3.8
329.05243	4.4
333.32059	0.9
361.07645	18.7
362.08163	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	361.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84943	3.7
59.01382	33.1
61.98812	5.5
71.01373	15.1
71.55606	4.3
72.16553	3.6
73.02958	4.0
85.02955	11.7
87.00827	4.2
89.02492	3.8
89.76044	3.2
92.33051	4.4
93.17557	3.2
95.01372	5.1
96.96014	16.1
97.02930	4.1
101.02395	9.0
109.02914	4.0
113.02452	8.2
119.03555	4.4
119.05025	78.0
121.02892	4.2
123.00869	8.2
123.04478	4.0
124.07678	9.6
125.02438	11.0
134.06151	6.5
137.02425	7.4
140.01131	6.0
148.04025	9.2
149.02426	13.4
154.05061	10.7
155.01782	3.6
161.04721	6.5
163.02747	7.7
163.04008	100.0
164.04388	4.6
165.03888	3.8
169.01375	8.2
178.05080	7.0
198.04428	5.0
206.04578	14.0
207.05322	13.9
209.06767	6.8
258.47488	4.7
273.12442	4.3
301.10669	6.7
361.10092	11.0
361.14301	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	360.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32626	3.7
55.75020	3.7
58.96246	3.6
61.98830	100.0
64.43406	3.3
66.14948	3.3
71.55209	4.4
96.95998	6.7
123.00877	4.8
125.02403	4.0
142.73018	3.6
220.61484	3.6
222.01099	4.1
241.33359	4.5
273.03757	3.6
278.22409	3.7
359.27908	9.9
360.28152	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	359.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47880	2.4
59.01376	27.3
64.87501	2.8
71.55077	3.4
75.55287	2.4
89.99554	2.4
103.36353	2.7
175.56352	2.5
277.21704	100.0
278.22003	10.7
316.54355	2.6
318.33566	3.0
359.21954	18.0
360.22217	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	359.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76962	0.8
56.34216	0.7
59.01368	1.9
61.98823	1.0
69.15742	0.7
69.46143	0.8
76.50111	0.7
98.20752	1.5
146.88048	0.8
169.01418	0.7
181.08736	0.8
185.11940	0.9
244.14214	0.8
246.07050	0.8
248.20775	0.7
313.23825	7.6
314.24161	1.5
341.27072	1.0
357.26682	1.3
359.28024	100.0
360.28299	13.3
381.20276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.153
Annotation	Lepidine C
Peak:m/z	Relative Intensity
58.55032	0.3
60.97495	0.4
62.10987	0.3
71.44249	0.6
123.04887	0.3
125.59889	0.3
145.82686	0.4
151.79352	0.3
151.81793	0.3
161.06377	1.0
207.82501	0.3
217.05362	0.3
217.07103	1.5
261.04437	0.6
275.05899	0.8
277.07532	3.7
278.07669	0.6
303.08698	0.3
329.10519	0.4
357.13681	2.3
359.15338	100.0
360.15509	18.0
361.13113	0.4
377.16357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26405	0.8
57.03461	1.0
59.01383	1.4
69.03456	1.1
71.01373	1.5
73.02956	2.0
89.02435	2.3
98.19901	1.5
111.08167	1.4
113.02505	1.0
124.17941	1.0
125.02434	2.2
131.03516	2.3
149.04555	11.8
165.12837	29.8
166.13179	1.7
169.01387	3.6
176.35175	0.8
183.13887	100.0
184.14165	7.7
199.09660	1.0
202.24385	0.9
209.11835	2.2
227.12871	88.0
228.13167	5.5
234.47284	0.8
242.60709	1.0
281.27399	1.0
282.57605	2.2
283.07843	1.2
287.22311	1.3
313.23773	2.1
358.58078	1.0
359.12408	2.5
359.17032	11.4
359.27991	47.3
359.62738	1.1
360.17493	1.5
360.28201	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	359.1347
Annotation	Stansioside
Peak:m/z	Relative Intensity
55.01881	3.8
57.03433	4.1
58.00600	4.3
59.01380	100.0
71.01382	85.9
72.99334	2.6
73.02950	13.8
74.02476	3.0
83.01398	6.8
85.02953	20.6
87.00880	6.6
89.02446	42.3
95.01380	8.4
96.96027	15.8
96.96581	2.8
97.02921	3.1
98.02488	2.5
99.00870	4.0
101.02452	44.7
109.02937	4.9
111.00886	3.9
113.02435	25.4
119.03525	19.4
121.02930	6.1
122.03761	11.7
123.00897	8.5
123.04528	4.6
125.02458	8.5
131.03537	2.6
135.04518	3.0
137.02449	4.4
137.06093	3.1
138.03299	2.5
139.00385	5.9
139.04097	2.2
139.07681	2.2
140.03481	2.6
142.12468	2.0
142.23401	2.0
143.03525	2.7
143.04610	2.3
151.00301	4.7
153.01965	5.6
153.05614	6.4
161.04533	5.4
161.05893	2.3
163.03990	3.3
164.04764	2.4
165.01854	2.9
166.99986	3.2
167.03481	4.3
168.00655	2.4
169.01407	7.7
179.07164	5.3
182.02155	4.7
182.05815	23.9
183.02861	2.9
183.06310	2.2
197.04570	36.3
197.08186	75.5
198.08516	3.9
211.06131	6.6
224.03339	3.1
239.05573	21.0
255.75351	2.6
269.06552	3.2
299.07895	2.8
327.10806	28.6
359.09726	92.7
359.13632	28.9
360.10129	10.1
360.14157	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.9
57.03456	3.8
58.00578	5.2
59.01380	91.0
65.00298	1.8
67.53512	1.7
68.41786	1.6
69.82832	5.9
69.83247	4.1
71.01381	77.4
72.01746	1.9
72.99316	5.9
73.02953	11.8
83.01396	10.9
84.66795	1.7
85.02955	28.2
87.00876	7.7
89.02447	41.9
95.01388	7.1
96.96019	10.1
98.20621	2.4
99.00887	5.7
101.02439	51.0
108.02168	2.6
109.02940	4.1
113.02451	26.6
119.03499	15.3
120.01265	2.0
121.02980	5.6
122.03744	22.2
123.00876	4.8
123.04506	6.2
125.02436	7.2
131.03497	3.2
135.04471	2.0
137.02403	8.8
139.00337	2.1
143.03540	2.2
151.00385	3.0
153.01965	4.2
153.05562	7.9
161.04550	7.7
163.03975	2.5
164.04768	4.9
165.05571	2.2
166.99854	1.6
167.03481	3.4
169.01416	4.0
179.05713	2.3
179.07129	7.5
181.01366	2.8
182.02220	5.9
182.05817	31.2
183.03043	2.1
195.06598	1.8
196.03790	5.1
197.04524	36.1
197.08186	100.0
198.04971	2.1
198.08476	7.8
211.06084	6.3
224.03113	2.6
239.05557	21.6
240.05843	2.3
269.06619	2.4
299.07629	5.5
327.10861	17.1
328.11279	2.4
359.09720	76.7
359.13586	36.9
360.10144	7.5
360.14005	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0984
Annotation	PD 169316
Peak:m/z	Relative Intensity
59.01382	7.0
61.12373	0.4
67.01884	0.5
69.50488	2.9
69.50893	0.7
71.01380	5.7
72.99298	1.1
73.02949	2.4
79.01889	1.2
83.01382	2.3
84.05059	0.4
85.02959	3.8
87.00881	0.9
89.02457	1.2
89.50349	0.4
95.01402	1.9
96.96001	1.0
97.02959	0.9
99.00877	0.8
101.02449	4.9
107.01395	3.3
110.00094	0.9
111.00887	3.2
113.02448	2.2
123.00886	13.7
124.01688	1.9
125.02453	14.8
126.02814	0.7
127.00375	1.3
136.98784	1.5
139.00371	5.7
140.01141	5.0
141.01891	1.9
150.66261	0.5
151.00374	10.8
152.00681	0.5
153.01936	0.7
161.04549	1.0
168.00650	4.5
169.01427	15.1
170.01869	0.5
170.32782	0.5
197.04549	1.3
197.44836	0.5
238.07576	0.5
313.05603	0.8
359.09827	100.0
360.10153	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	359.0985
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
50.46285	1.8
53.24556	1.7
55.01871	4.5
55.15765	1.8
57.03442	2.6
58.00602	3.2
59.01380	96.5
60.01679	3.0
70.96686	3.3
71.01382	75.2
72.99303	6.7
73.02954	18.3
82.15488	1.9
83.01404	10.4
85.02946	27.2
87.00869	7.6
89.02444	35.7
95.01392	6.6
96.96008	7.5
97.02950	2.9
99.00896	4.1
101.01801	2.2
101.02451	45.2
108.02162	2.0
109.02966	3.3
112.75617	2.0
113.02454	29.7
114.84358	1.8
119.03487	15.6
120.01251	3.2
121.02946	7.7
122.03733	16.7
123.00883	6.2
123.04523	5.4
125.02419	6.5
135.04459	2.2
136.01654	3.4
136.05325	2.5
137.02429	5.5
137.06062	2.6
139.00322	2.3
143.03465	3.2
149.04495	2.0
151.00351	4.2
153.01932	4.0
153.05551	5.2
161.04518	8.0
164.04695	3.3
167.03517	3.8
168.00616	2.5
169.01427	5.5
179.03374	2.1
179.05672	2.2
179.07118	9.5
180.04306	3.2
182.02229	7.6
182.05826	33.9
183.06235	1.9
196.03746	3.0
197.04552	35.4
197.08189	100.0
198.08530	7.3
211.06078	5.7
239.05615	19.4
299.07730	5.1
327.10870	17.8
328.11343	2.9
330.79031	2.1
359.09708	69.6
359.13562	39.7
360.10016	9.3
360.13962	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.6
59.01379	19.6
67.51098	1.1
70.86181	1.3
71.01384	4.0
73.02956	1.5
75.00878	2.0
79.95734	2.9
80.96523	3.5
81.03489	2.0
83.05033	1.6
85.02939	3.5
93.03454	1.6
95.01376	1.4
95.05024	1.2
95.09747	1.5
96.96011	42.9
97.02977	1.8
98.20657	2.3
99.04517	3.6
107.01402	4.7
111.00900	2.9
111.04541	4.0
113.02451	2.0
123.00916	1.7
125.02444	13.6
125.06065	1.4
126.02782	2.1
132.04526	2.7
135.03024	3.4
136.05334	3.2
139.00357	1.1
139.07649	1.4
140.01157	1.5
146.06117	1.5
149.02444	2.8
151.07657	24.5
151.11304	2.7
158.02504	5.0
166.06378	1.9
167.07089	1.5
168.07930	5.5
169.01425	22.2
169.08611	1.5
171.11789	4.6
173.04549	2.6
173.09702	2.6
175.11322	1.7
176.03513	4.6
179.07150	2.8
179.10732	3.5
181.08733	3.3
184.08934	13.6
189.12860	4.4
190.05083	11.6
191.05786	1.6
196.05475	2.0
197.11752	7.8
199.11223	9.9
201.09216	3.5
202.10023	1.8
205.12251	6.1
215.10745	1.7
217.12354	12.7
220.02551	1.2
241.10857	5.9
259.95627	1.2
279.12451	2.0
283.08246	3.7
283.58340	1.7
284.07108	5.5
299.18570	1.5
315.13351	5.8
317.19696	11.8
325.05701	2.2
358.62247	1.6
359.08115	100.0
359.12659	16.1
359.20822	3.8
360.08215	14.7
360.12393	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	359.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11288	0.3
57.40650	0.3
59.01376	85.4
60.01731	0.5
61.98823	3.0
71.50861	0.5
72.99310	1.0
90.97132	1.0
118.96624	0.4
121.27519	0.4
132.98216	1.9
157.03554	3.1
159.01453	1.2
174.99234	22.2
175.99496	0.5
201.02539	25.6
202.02678	2.2
204.00092	0.4
217.00278	100.0
217.98366	0.6
218.00624	3.5
219.52275	0.4
226.20087	0.4
232.98651	0.4
274.99551	1.1
317.00735	1.7
318.00800	0.4
359.01486	5.5
360.01733	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78510	2.1
55.01873	3.5
57.03445	2.6
58.00593	4.2
59.01378	44.8
61.98833	1.8
69.03452	6.5
69.89247	3.6
69.89657	5.7
71.01382	47.1
72.00903	4.1
72.99311	97.7
73.02936	5.0
75.00894	3.0
83.01394	7.9
85.02954	28.4
87.00882	3.8
89.02446	28.5
95.01391	17.4
96.96037	4.3
97.02906	3.0
99.00893	5.9
101.02432	15.4
107.01382	3.6
109.02957	1.9
111.00919	2.3
113.02452	27.4
119.03508	8.6
121.02993	2.4
123.00903	8.3
123.04544	3.8
125.02448	25.4
131.03580	3.1
133.01419	6.0
134.03719	3.6
135.02982	2.6
135.04536	5.9
136.07680	37.9
137.02422	4.0
139.00377	3.6
139.04018	2.9
140.01143	3.1
151.00462	2.2
153.01930	7.7
153.05630	3.7
155.03517	2.2
164.04881	5.4
166.99858	4.7
167.03554	2.4
168.00645	2.7
169.01433	28.0
171.02971	7.8
173.04462	2.4
179.03491	6.9
179.07092	3.5
180.06651	72.2
181.01404	3.7
182.02209	3.3
183.03009	3.9
189.04047	41.7
189.05630	3.3
189.38968	2.1
190.04379	2.5
191.05635	4.8
195.98317	1.8
197.04570	19.5
198.05017	2.1
207.05092	100.0
208.05466	5.0
211.06163	2.7
219.08257	4.9
223.07797	2.3
224.08420	2.1
225.09206	1.9
237.09332	9.9
239.05663	10.1
239.07759	2.2
252.10300	3.2
254.11835	4.7
280.09802	3.4
281.08167	2.9
296.09131	2.4
298.10553	1.9
324.08707	2.6
341.11374	12.7
359.09058	35.8
359.13007	14.9
360.09509	3.1
360.13031	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	358.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90216	0.5
59.01152	0.5
59.01387	4.9
69.41853	3.4
71.01366	1.8
73.02946	0.5
74.67683	0.5
85.02947	1.1
89.02451	0.6
95.01363	0.6
96.96008	2.2
101.02453	0.9
108.08191	100.0
109.08526	4.7
111.00859	0.7
113.02438	1.6
120.08171	2.8
125.02415	0.9
132.08167	2.4
134.06244	0.8
140.25832	0.5
147.03308	0.6
148.07687	1.2
152.01099	0.8
152.07166	73.5
153.07526	3.9
155.03535	0.5
163.85889	0.6
164.07269	1.0
166.08722	16.2
167.09015	1.4
169.01428	1.4
176.07175	1.7
194.08226	9.0
196.06136	52.6
197.06598	2.8
224.07324	0.5
238.07187	8.5
239.07407	0.9
243.07787	0.8
296.09760	0.6
298.09305	4.9
299.09467	0.7
313.10803	0.9
317.15973	0.6
317.19559	1.3
344.12558	0.8
358.11462	6.5
359.08585	1.3
359.15121	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	357.2648
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
52.42549	0.3
57.03431	1.2
59.01381	9.1
61.98825	1.1
69.03447	0.4
69.06957	0.2
71.01384	1.0
71.04991	0.4
71.55941	0.6
73.02934	0.7
77.71783	0.3
83.01395	0.3
83.05063	0.3
84.67657	0.3
85.02964	0.7
85.06563	0.4
87.04508	0.7
89.80796	0.3
99.08100	0.2
101.02460	0.5
113.02454	0.3
121.10174	0.5
122.74757	0.3
125.02417	0.7
137.09732	0.5
139.00415	0.3
139.11281	0.6
141.12869	0.5
153.12883	0.3
157.12347	0.5
167.30328	0.3
169.01428	0.4
171.10277	0.5
171.13927	0.5
183.13959	0.4
185.11864	3.1
199.13397	3.2
209.72531	0.3
210.12428	0.3
227.12993	0.3
297.24338	2.6
300.25894	0.2
309.24390	1.9
311.25998	0.8
313.27448	1.1
321.24319	0.7
325.23868	1.2
327.25397	20.1
328.25806	2.4
339.25342	3.6
340.25708	0.5
355.24921	1.3
357.26456	100.0
358.11597	0.6
358.26785	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2646
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
51.72333	0.7
52.86253	0.7
57.03436	2.3
59.01376	1.7
59.56250	0.7
61.68637	0.7
61.98839	1.8
62.26426	0.7
64.24365	0.8
71.01385	0.7
71.04990	0.9
71.55268	1.0
78.87696	0.7
80.18434	0.7
121.02962	4.8
121.14600	0.8
139.11284	1.6
199.13351	4.5
211.49617	1.0
256.33807	0.7
290.31424	0.7
297.24371	1.1
308.63483	1.0
309.24393	2.1
311.22281	3.7
327.25449	7.5
328.25732	1.8
339.25247	1.7
357.26437	100.0
358.26791	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	357.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99799	1.5
57.03445	7.4
59.01377	23.5
59.17643	2.3
63.87091	1.6
69.03461	13.2
71.01382	6.5
73.02959	4.5
85.02962	5.4
87.00903	2.5
89.02441	2.1
93.03438	9.4
96.96017	4.7
98.20798	3.0
99.28628	1.9
101.02460	5.4
103.55329	1.6
111.00842	2.3
111.04548	2.5
111.08138	2.7
113.02446	4.9
113.06075	2.2
118.34451	1.6
123.08085	1.9
125.02419	5.2
128.61533	1.6
130.87178	1.7
137.02457	12.8
139.11249	13.3
149.02483	1.7
150.10347	1.6
155.03461	4.0
160.06189	2.5
164.04805	2.5
165.05457	2.1
173.04547	7.9
177.09244	3.7
183.10254	100.0
184.10626	3.6
190.02650	2.1
195.06625	3.9
201.90120	1.8
205.05074	2.0
207.49602	2.0
223.06125	3.2
357.11920	18.8
357.15665	9.9
358.12210	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	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	37.7
71.01385	24.3
71.54845	1.8
72.99289	3.5
75.00864	2.4
85.02943	5.7
87.00884	1.7
89.02442	22.9
95.01402	4.2
96.96015	1.6
99.00842	1.5
101.02435	16.0
102.81879	1.6
111.00905	1.2
113.02461	9.8
113.56208	1.3
119.03526	8.6
125.02430	4.1
135.04494	2.7
139.00395	1.4
151.03961	4.0
152.07182	7.0
162.03220	68.6
163.03749	3.4
169.01402	5.8
177.05565	100.0
178.05875	6.4
180.04315	1.7
183.10278	5.4
195.06627	11.3
196.06242	2.7
211.02473	3.5
239.84518	1.4
288.09756	1.5
358.11588	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	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44474	0.5
55.01864	2.3
57.03437	2.1
58.27646	0.5
59.01381	21.6
61.98822	0.6
63.73701	0.5
65.13343	0.5
66.98792	0.5
68.99825	0.7
69.03462	0.6
70.26445	2.0
71.01385	33.0
72.99312	1.4
73.02953	8.9
75.00871	0.9
83.01391	4.5
85.02959	18.1
87.00878	2.1
89.02442	3.9
93.03471	1.7
95.01379	2.1
97.02963	1.0
98.20691	0.5
99.00903	4.2
99.04530	1.2
101.02451	23.0
108.02180	26.5
109.02978	9.4
111.00905	1.5
112.98815	0.8
113.01703	1.1
113.02457	15.5
119.03496	0.7
122.03747	0.5
123.00932	0.8
123.04548	2.9
125.02458	4.9
129.01939	1.2
135.04538	28.0
136.05014	1.2
137.02443	0.6
137.06099	2.2
139.00317	0.7
140.01158	0.9
143.03491	1.3
145.01456	1.8
149.06093	1.9
150.06874	100.0
151.03987	1.1
151.07391	5.4
152.01155	14.9
153.01965	5.5
154.99947	0.9
157.23441	0.5
159.02997	3.0
161.04555	13.8
165.05559	2.5
167.03465	0.8
168.00671	2.5
169.01427	7.2
169.52788	0.5
175.07661	0.7
178.06354	1.0
180.39386	0.5
190.06329	1.1
193.08669	4.1
194.05870	0.9
195.03004	1.3
195.06668	1.3
195.13939	0.8
205.03539	0.9
205.08705	1.3
211.02466	5.6
314.35049	0.6
315.07068	0.7
357.08292	17.0
357.12027	5.9
357.19147	2.2
358.08554	1.9
358.12357	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.119
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
52.92312	0.5
57.03434	0.9
58.20287	0.5
59.01369	1.8
65.00320	1.1
70.86237	0.5
70.86564	0.6
71.01374	0.8
80.31731	0.5
81.03451	5.5
82.95782	0.5
83.01376	1.2
85.02947	0.7
85.06575	0.6
87.76964	0.5
89.03997	0.5
89.53437	0.5
93.03460	0.9
95.01401	0.4
96.95984	0.7
97.06560	0.6
107.01411	1.0
108.02206	0.8
109.02959	2.5
109.06602	3.2
111.04525	5.6
122.03742	1.1
123.00922	0.7
125.02448	13.2
126.02785	0.6
133.02904	0.6
134.03882	0.5
139.04005	2.1
145.02942	0.7
148.01711	0.5
149.02438	0.9
151.00398	1.4
151.07648	30.9
152.07951	1.6
161.02327	0.6
165.15559	0.4
167.03487	2.2
169.01407	3.1
173.04526	1.4
177.01933	5.9
177.05606	1.4
178.02299	0.5
178.20834	0.5
189.01939	9.6
190.02625	1.0
191.03461	0.5
191.06865	0.5
191.66405	0.4
195.06615	100.0
196.06979	5.9
201.11263	1.0
203.03391	0.6
216.00655	1.3
217.01421	9.5
218.01880	0.8
219.02991	0.8
231.03027	1.6
241.10808	0.6
263.08334	2.3
295.06213	0.5
313.32587	0.4
320.75607	0.5
325.05624	1.3
340.01599	0.5
357.06146	10.0
357.10907	0.9
357.15509	2.5
357.65771	0.7
358.06436	1.1
358.16266	1.4
359.90088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39997	0.8
58.42762	0.7
59.01384	5.4
67.01888	3.9
70.13967	1.9
70.14364	1.4
71.01379	1.6
72.99311	3.5
79.95737	1.0
83.01392	2.5
85.02956	23.0
93.03426	0.9
96.96017	3.6
98.19902	1.4
101.02427	2.3
106.06621	10.0
107.06312	1.5
107.06940	6.5
111.00884	100.0
112.01206	3.2
123.00871	1.0
123.04480	0.9
125.02469	1.4
129.01949	7.5
130.08739	2.8
141.90492	0.9
150.05614	3.8
151.05980	4.2
154.99861	12.9
164.07176	0.9
169.01350	0.9
171.10255	1.7
173.00909	31.2
173.04495	1.3
183.10262	2.9
185.27269	0.9
186.17140	0.8
189.01999	1.7
193.07043	0.9
194.04605	1.5
195.05000	2.3
205.68837	0.9
209.11838	1.0
217.01360	1.3
267.49396	0.8
304.79379	0.9
342.10974	1.2
358.22504	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1191
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
55.11545	0.4
57.03438	1.0
59.01374	2.0
65.00320	1.3
69.03465	0.5
69.92794	1.7
71.01372	0.6
73.02945	0.6
81.03455	5.2
83.01372	1.5
85.02937	0.6
85.06575	0.7
87.00864	0.4
87.04508	1.0
93.03458	1.0
94.85065	0.3
95.01353	0.3
97.02971	0.4
98.20616	0.6
98.74124	0.3
101.02431	0.3
101.66679	0.3
107.01404	1.1
109.02952	1.2
109.06599	3.0
111.00891	0.3
111.04517	4.3
121.02926	0.3
122.03746	1.5
123.00893	0.4
123.04513	0.4
123.08187	0.7
125.02447	12.1
137.02443	0.4
139.03966	1.1
149.02466	1.1
149.06041	0.4
151.00365	1.9
151.07643	31.5
152.08006	1.8
153.05653	0.5
155.03464	1.1
167.03523	1.2
169.01443	2.8
173.04526	0.9
177.01939	2.7
177.05559	1.0
181.12408	0.3
189.01938	4.3
191.03540	0.5
195.06619	100.0
196.06966	6.2
216.00526	0.5
217.01411	4.1
218.01752	0.4
219.06618	0.5
231.02966	0.7
237.07651	1.0
263.08524	0.9
283.10873	0.4
325.05658	1.0
357.06149	4.0
357.11435	0.7
357.15631	1.8
357.65833	0.7
358.06516	0.6
358.16245	1.5
379.99582	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.119
Annotation	202-791
Peak:m/z	Relative Intensity
50.52028	1.3
51.58282	1.3
55.01868	3.0
57.03439	1.4
58.00565	1.4
59.01374	13.6
64.79282	1.2
66.36586	1.1
69.56654	4.6
69.57082	3.7
71.01378	16.4
72.99278	1.3
73.02940	6.7
83.01376	3.1
85.02958	12.3
87.00869	1.4
89.02436	3.7
93.03455	25.8
95.01403	3.0
96.99356	1.6
99.00853	1.9
101.02436	16.6
108.02193	2.2
113.02464	7.4
119.03519	1.4
121.02924	1.5
125.02425	1.5
136.01610	2.9
137.02440	81.6
138.02835	2.6
161.04591	2.3
182.12404	1.1
183.10258	4.2
191.03455	1.3
194.05898	1.4
195.06573	1.9
203.44836	1.5
214.50009	1.5
221.04605	1.6
231.11121	1.2
269.33191	1.5
319.31631	1.2
357.11884	100.0
358.12216	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	357.0617
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
54.12123	0.3
70.72482	0.9
77.03964	0.7
93.03464	0.3
121.02955	100.0
122.02505	0.5
122.03287	4.0
139.11307	0.4
157.12390	0.3
165.01894	0.6
180.05820	1.5
181.06593	6.3
182.06885	0.7
185.11807	0.3
206.79178	0.3
225.05579	7.2
226.06036	0.6
271.07233	1.1
285.20795	0.4
313.07184	7.2
314.07321	1.3
339.06207	0.7
341.44171	0.3
357.06149	27.0
357.26398	4.9
358.06464	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	357.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01377	3.8
61.98810	0.7
65.03973	0.8
67.01897	0.8
69.03446	0.8
71.01380	4.0
71.54040	0.7
72.99299	3.3
73.02939	1.3
75.00861	1.6
81.03453	2.4
82.79800	0.6
83.01386	1.3
83.05033	0.9
85.02949	4.7
87.00874	2.7
91.05521	2.2
93.03454	4.3
95.01382	0.9
96.96023	1.0
97.02932	1.2
99.00876	2.8
99.89589	0.5
101.02419	1.5
103.05554	2.0
106.04262	0.8
107.01383	39.2
107.05012	0.9
108.02225	1.0
109.02921	0.9
109.06582	4.8
110.03709	0.5
111.00909	3.2
111.04520	3.4
113.02405	0.9
121.02948	3.5
121.06609	2.3
123.00873	0.6
123.04517	1.9
124.01641	4.3
125.02444	15.1
126.89241	0.6
127.03979	0.8
129.01953	1.3
135.04581	1.5
136.98845	0.7
137.02415	1.3
139.00356	2.3
139.04010	30.8
139.07626	1.2
140.01134	1.2
140.04353	0.9
143.03459	1.3
145.02972	0.8
145.42171	0.5
149.02446	6.2
150.03218	7.0
150.06857	3.3
151.04071	2.9
152.01218	1.0
153.01984	0.6
154.99818	0.6
155.03497	3.7
161.02522	0.8
161.04536	1.1
162.03194	1.0
164.04822	2.2
164.07104	0.8
165.05568	12.5
166.05927	0.6
167.44655	0.6
168.00624	6.2
169.01421	10.6
173.04573	5.5
177.01965	1.3
177.05534	0.8
179.03362	0.7
180.04245	2.8
183.02983	100.0
184.03322	4.0
191.05617	15.3
191.07353	1.0
192.05968	0.7
195.02985	0.8
195.06566	7.2
205.03531	14.7
206.03944	0.6
211.02419	2.0
240.11853	0.7
311.44733	0.5
313.09372	2.2
324.64752	0.7
357.08047	6.4
357.11847	1.4
379.18338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0987
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
51.64927	0.5
56.10423	0.6
59.01372	2.2
69.53151	3.3
71.01380	1.7
72.99289	0.5
83.01373	0.6
85.02952	3.3
101.02474	0.6
104.05065	1.1
106.06623	100.0
107.06948	3.6
111.00875	8.9
112.54558	0.5
113.02453	1.9
116.24996	0.5
118.06631	2.8
119.25278	0.5
120.08199	1.0
129.01910	0.8
138.10033	0.6
146.06131	1.0
150.05600	72.5
151.05943	3.3
154.99896	1.4
162.05508	0.8
164.07159	12.2
165.07526	0.5
173.00923	3.0
192.06676	8.8
193.06985	1.2
194.04581	13.8
195.04890	1.0
236.05649	1.5
237.05463	0.5
296.07748	1.5
297.46182	0.6
342.11197	0.5
355.90842	0.7
356.09824	4.4
357.09985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62994	3.7
59.01360	5.4
61.98827	100.0
67.29007	3.8
76.04389	3.4
76.22653	3.8
81.66772	3.6
82.62179	3.7
92.04166	3.6
121.02941	11.8
143.54247	3.7
153.77446	4.2
155.32573	4.2
270.20667	3.8
309.70288	4.6
359.64499	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	355.3217
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
63.51328	1.0
65.46811	0.8
76.42009	1.1
82.38646	0.8
98.20722	2.4
140.27364	1.0
151.38354	1.1
164.07420	0.9
167.15660	1.0
174.94588	0.9
185.28348	0.9
309.31644	3.1
344.84879	1.2
355.32156	100.0
356.32446	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	355.2489
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
56.86863	0.6
57.03447	5.7
59.01369	3.0
59.89079	0.6
61.98808	1.2
69.03446	1.5
70.87763	1.5
71.05024	1.3
73.02934	0.9
81.03445	0.7
83.01350	1.0
85.02924	0.9
85.06583	1.3
93.03459	0.9
96.96038	0.7
97.02930	0.7
97.06589	1.4
99.04530	0.6
99.08150	2.5
109.02942	1.1
113.09756	0.8
121.02888	0.9
123.08135	1.3
124.45618	0.7
125.02436	2.7
125.09750	1.5
127.11275	3.7
129.09230	2.6
137.02414	3.4
137.09769	1.2
138.03224	1.5
139.11269	1.8
143.10780	4.3
147.04515	0.8
153.12856	11.7
154.13103	0.6
157.12300	5.2
161.09700	1.7
165.01912	3.2
166.02682	1.4
167.03461	1.2
167.14391	3.0
169.01381	1.1
171.13936	1.0
181.15900	1.5
182.13054	1.6
183.13907	1.8
189.09192	4.1
196.39287	0.7
217.08705	1.3
229.08609	1.0
253.21785	0.8
267.23257	1.6
293.24857	0.8
295.22672	1.9
307.22720	1.5
311.12369	1.0
311.25900	24.3
312.26202	2.4
325.23798	13.4
326.24200	1.2
337.10580	1.1
337.23828	2.4
354.65378	0.8
355.24866	100.0
356.25217	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67857	29.7
55.40213	24.2
58.10744	23.2
59.01375	32.9
61.98814	37.8
65.77729	30.7
69.80092	96.4
69.80527	51.4
98.19913	29.0
110.04130	30.4
171.13928	48.8
177.95988	29.1
233.12749	25.9
257.38434	24.2
311.25797	66.5
355.15637	61.1
355.24854	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	355.2277
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
58.38614	1.2
61.55046	1.4
69.55382	5.1
69.55811	3.9
69.80259	1.2
70.55466	1.1
70.67023	1.2
85.02938	2.6
88.86633	1.2
97.64899	1.2
101.06080	1.2
107.05026	1.5
109.02930	1.3
111.00882	1.3
122.03745	13.3
125.06161	1.4
135.04521	29.9
136.01619	2.6
147.08145	2.0
149.05983	1.7
149.09688	8.9
151.07625	3.0
154.02672	2.8
155.10799	2.0
161.09709	9.2
163.07622	4.8
163.11278	57.5
164.08421	16.2
164.11580	4.8
165.09187	9.8
177.09196	71.7
178.09964	26.9
179.10760	92.3
180.11104	4.7
183.10277	2.0
187.11238	2.5
191.10757	16.5
193.08658	9.9
280.14645	3.4
298.15710	57.7
299.16074	8.4
307.16940	2.5
309.22327	1.9
337.17651	2.6
337.21729	51.3
338.21933	8.5
340.20392	85.6
341.20779	11.7
355.22751	100.0
356.23120	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	355.1874
Annotation	Thiocyanatin A
Peak:m/z	Relative Intensity
58.02982	9.3
59.01363	2.2
61.74391	0.8
69.03458	1.3
69.16420	3.4
69.16844	5.9
71.01376	1.4
74.02483	2.0
82.03008	2.4
83.06160	3.6
84.04542	6.8
96.96006	1.0
97.04075	1.4
97.06607	1.5
101.07201	7.4
107.02512	2.2
109.04070	7.5
122.96725	1.0
125.02478	1.4
125.03564	2.7
125.07244	1.3
127.05136	66.9
128.03535	28.4
128.05455	1.9
129.03996	1.0
145.06189	60.8
146.06508	2.3
151.00348	1.1
165.12836	14.5
166.13211	1.2
169.01411	1.8
179.10707	1.3
182.15465	8.9
183.13957	1.0
204.62613	1.1
209.11790	4.3
210.14917	2.3
222.14966	1.5
237.14951	2.0
249.19670	20.8
250.20073	1.6
267.20737	1.0
293.18643	6.5
311.19760	4.2
313.16647	1.2
337.17664	21.8
338.18030	3.1
355.18710	100.0
356.19049	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	355.1032
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
55.79363	2.1
55.93134	1.9
59.01382	11.2
61.97729	2.1
69.44087	16.5
71.01392	4.7
72.99312	2.8
73.02930	5.4
75.00864	2.9
80.37091	2.2
85.02941	8.9
86.83916	2.0
89.56148	2.0
96.95989	5.4
97.90366	2.0
99.92613	2.0
101.02443	2.4
110.42474	2.3
112.50998	2.6
113.02404	2.5
113.99609	2.5
115.00381	6.3
115.92068	14.3
120.22286	2.5
134.03741	23.3
137.02412	4.3
149.06152	3.9
153.93338	2.1
164.04654	2.8
174.01691	74.6
175.02347	4.3
178.02699	11.2
179.07095	4.3
190.05122	2.9
193.05049	32.6
209.08076	2.6
222.12015	2.5
237.07776	4.2
265.07169	8.3
295.08212	13.0
327.40015	2.3
355.06006	4.9
355.10333	100.0
356.10724	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	355.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48681	1.1
55.01867	1.4
59.01379	9.2
61.90910	1.2
66.28192	0.9
67.01904	1.8
68.99812	9.5
69.03458	39.9
71.01384	14.8
71.52511	1.0
72.99284	2.8
73.02932	1.8
75.00861	2.1
79.01871	3.0
83.01412	2.1
85.02951	7.8
87.00879	6.8
89.02416	1.3
93.03460	1.2
95.01382	2.4
96.95994	1.1
96.99314	7.4
97.02956	25.2
99.00876	8.4
101.02483	1.9
101.56676	1.1
107.01372	1.8
109.02947	1.1
111.00882	1.1
113.02445	3.8
115.00378	6.4
121.02954	11.8
123.00907	2.0
124.01652	1.4
125.02453	66.8
126.02750	1.6
129.01924	2.2
134.03746	2.2
135.04501	3.4
136.04909	1.0
137.02448	1.3
138.03253	1.5
139.00385	1.3
141.01950	5.2
150.05647	1.2
152.01152	1.3
153.05547	8.8
159.02991	1.7
161.02466	4.4
165.01918	1.1
169.01431	100.0
170.01776	5.3
174.01721	11.9
175.02408	4.0
175.03909	2.2
179.03456	2.0
181.01338	1.4
182.02213	2.3
184.99768	0.9
185.00928	10.8
191.05600	2.0
192.05956	1.6
193.01437	2.9
193.03296	1.0
194.04605	2.4
197.04547	22.9
203.01973	87.5
204.02303	3.7
214.30630	1.0
237.07715	1.7
265.07193	2.4
267.05014	1.3
312.10825	1.1
355.02985	1.5
355.06595	17.0
355.10352	18.0
356.06369	1.6
356.10318	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	354.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50134	2.7
56.79123	3.2
59.01379	100.0
61.98824	6.1
63.25299	3.2
69.46486	3.0
70.74113	9.2
92.93301	3.1
140.59758	2.8
140.91158	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	354.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50134	2.7
56.79123	3.2
59.01379	100.0
61.98824	6.1
63.25299	3.2
69.46486	3.0
70.74113	9.2
92.93301	3.1
140.59758	2.8
140.91158	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	353.2334
Annotation	Dihydroflexibilolide
Peak:m/z	Relative Intensity
57.03437	6.0
59.01374	4.3
65.37773	1.6
69.03471	2.9
71.05013	11.1
73.02953	1.7
83.05028	12.2
85.02959	2.7
85.06579	9.8
85.70653	1.7
87.04533	11.1
95.05037	5.7
96.96021	4.7
97.06598	35.7
99.08154	25.6
109.02950	1.9
109.06573	2.8
111.08157	2.9
121.02943	2.2
125.02457	4.2
125.09744	3.6
127.07639	3.6
137.08748	1.7
137.09746	5.0
139.10211	2.3
139.11292	39.4
141.12891	14.4
149.09792	3.2
151.11285	31.1
152.11572	2.8
155.10777	2.9
165.12607	1.9
167.10753	2.6
168.11581	1.8
169.12352	39.5
170.12680	2.1
180.11543	7.1
191.05620	7.9
191.14407	1.9
193.16090	2.5
196.79094	2.0
198.12616	17.9
209.15382	4.6
215.32387	1.7
227.16537	2.9
273.22107	5.2
291.23279	10.8
309.24353	100.0
310.24722	11.7
353.18970	3.9
353.23346	76.1
354.12817	1.9
354.23630	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	353.0878
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
55.96031	0.8
59.01369	3.3
59.87197	0.8
63.74761	0.8
68.99960	0.7
69.67764	4.0
71.01374	1.6
85.02958	8.2
87.00880	2.2
91.05519	0.8
93.03457	4.4
98.20567	0.9
107.05025	1.2
109.02932	0.8
111.04533	2.6
123.04536	2.3
127.03983	2.0
133.02946	2.0
134.03761	7.0
135.04530	59.7
136.04881	2.6
136.73961	0.8
148.05621	0.8
153.05577	4.9
155.03456	1.1
158.34625	0.9
161.02441	4.7
173.04533	3.6
179.03499	58.1
180.03815	3.4
191.05615	100.0
192.05940	4.8
315.10928	1.0
353.08768	14.6
354.08936	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2121
Annotation	Guayulin B
Peak:m/z	Relative Intensity
51.62651	0.7
64.38757	0.7
69.27032	6.7
71.41539	0.8
93.58319	0.7
93.81454	0.8
96.96007	5.9
113.49325	0.8
113.98685	0.8
131.52170	0.8
163.11281	82.7
164.11636	5.6
171.18738	0.8
177.09201	63.6
178.09567	3.8
189.63557	0.9
191.05598	1.0
194.01299	0.7
239.06926	0.9
353.21179	100.0
354.21524	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	351.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.50627	1.0
69.74692	5.9
71.01335	1.7
73.02963	1.2
93.93308	1.3
96.96004	3.5
97.06555	1.3
98.20614	2.2
101.02466	1.8
191.34027	1.1
206.31018	1.2
217.45435	1.2
291.18225	1.7
351.21674	4.8
369.27237	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47985	0.7
57.43921	0.7
59.01380	1.8
61.03735	0.9
69.88718	3.8
79.16780	0.8
79.95731	10.4
95.95219	6.6
96.96008	100.0
98.20552	1.0
98.95594	0.9
152.00232	3.3
173.47781	0.8
177.68121	0.8
191.05580	4.3
308.19226	1.7
352.21646	95.6
353.18338	1.5
353.22110	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	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63027	1.1
57.08921	1.2
59.01381	100.0
60.01701	1.4
69.21022	1.0
69.26984	4.0
69.27419	5.7
80.35596	1.1
96.95470	1.3
96.95988	6.3
130.39616	1.1
169.01445	1.2
183.02959	4.2
243.16064	1.1
324.16251	1.1
351.11014	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86117	11.0
59.01382	98.2
61.98833	42.4
62.04786	11.0
67.52562	9.7
69.51573	52.4
69.51981	25.3
71.01379	46.0
73.02938	28.3
85.02944	36.6
89.02506	14.3
96.96009	33.9
101.02434	22.5
108.04561	13.3
108.49863	12.9
113.02467	19.1
122.06126	14.7
123.00890	39.4
125.02482	14.2
136.07704	68.5
139.00485	12.9
148.57343	11.2
151.00363	46.0
167.05974	11.8
181.05009	11.1
203.12819	15.7
204.06670	12.6
215.46524	11.8
254.05801	11.2
288.08804	100.0
307.12735	14.7
333.10986	19.8
351.07159	16.1
351.11606	26.1
351.16373	27.8
351.20175	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	351.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70287	0.8
59.01379	100.0
60.01699	1.2
71.52264	0.8
79.95736	0.9
96.96014	23.5
143.39563	0.8
156.22646	0.9
161.02446	1.5
173.06125	1.0
176.04793	2.3
203.10764	8.0
213.09203	1.7
231.10245	53.1
232.10571	4.6
271.22809	3.2
291.12445	5.2
351.18414	14.8
352.18652	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
55.89106	0.9
59.01379	100.0
60.01694	1.3
69.03441	2.4
71.01385	4.9
73.02957	1.0
82.09692	0.8
85.02937	1.3
89.02456	4.6
93.51077	0.9
96.96001	3.6
99.00852	1.4
101.02437	3.2
109.86790	0.8
113.02437	2.4
113.38250	0.8
119.03497	1.6
119.40173	0.8
123.00838	0.9
134.03587	1.2
137.02422	2.1
151.00330	0.9
161.04530	1.2
165.01924	4.8
170.12144	0.9
185.00923	1.0
197.04550	3.8
259.11783	1.0
287.11807	1.1
349.05612	1.2
349.09500	1.0
374.82541	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37101	1.1
55.83591	1.2
57.04531	1.2
59.01371	3.5
61.98831	100.0
65.46704	1.1
66.67135	1.2
70.24377	3.5
71.01405	1.7
76.63074	1.3
88.56462	1.2
94.11599	1.4
96.95992	4.4
99.94633	1.4
116.07593	1.3
125.02453	3.3
135.04515	2.2
151.00354	1.3
158.08830	1.2
169.01466	2.6
173.04553	1.4
197.11801	1.7
217.13866	1.2
325.05496	1.9
326.06006	1.3
350.16467	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.1
57.84576	2.0
59.01379	35.6
67.06689	1.7
71.01378	32.7
72.99301	6.9
73.02974	2.0
73.46585	1.7
75.00873	26.2
79.95687	3.9
83.01394	2.9
85.02943	35.4
86.02471	2.5
87.00867	15.3
89.02451	14.8
91.04012	1.9
95.01387	6.6
95.95238	5.9
96.96017	50.8
97.29774	2.1
98.19878	3.8
99.00866	13.9
99.04516	100.0
100.04836	3.5
101.02431	4.6
103.00368	4.6
111.00935	2.0
113.02448	36.6
115.00362	2.7
117.01955	4.1
119.03472	4.5
128.03563	13.8
133.06895	8.8
154.10751	1.8
157.01363	2.6
161.04649	2.5
169.01396	2.4
171.07753	5.7
175.02477	3.0
205.07149	2.6
231.05190	2.4
249.06143	36.8
260.01178	1.9
260.03458	9.7
261.04349	6.0
267.07208	34.8
269.10324	3.6
300.53415	2.2
311.22275	1.8
349.05951	20.1
349.11310	80.9
349.14865	4.3
350.11633	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	349.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64150	0.4
55.01878	0.5
57.08535	0.5
59.01374	3.7
63.65076	0.4
67.01897	1.5
68.99819	0.9
69.03458	1.8
69.70979	2.9
71.01391	2.1
72.99324	0.6
73.02958	0.5
77.03969	1.9
79.01904	1.8
83.01411	2.2
85.02957	0.9
89.02451	1.8
89.23071	0.5
93.03465	2.9
95.01384	2.7
96.96016	3.0
96.96567	0.5
97.02948	13.3
98.03320	0.5
99.04543	0.4
101.02456	1.4
109.02948	1.6
113.02450	1.3
121.02956	13.0
123.00891	14.0
125.02438	1.3
137.02443	41.6
138.02794	1.7
139.00346	2.8
141.01945	1.1
151.00362	12.9
152.00836	0.6
155.10814	0.5
161.04564	0.7
165.01929	100.0
166.02261	5.3
197.04547	48.8
198.04906	2.4
209.00951	0.7
216.67853	0.4
217.10909	0.5
219.21445	0.4
223.02446	0.5
224.07930	0.4
317.03006	5.0
318.03345	1.0
349.05652	12.1
349.09579	0.7
349.18890	0.8
350.05869	1.6
362.90240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61357	0.7
57.03423	0.9
57.13777	0.5
59.01385	8.1
69.57257	3.9
71.01382	4.0
73.02950	2.5
75.00888	0.7
79.93964	2.3
79.95730	7.4
80.96517	1.2
81.03504	0.7
83.01402	1.2
85.02946	4.7
87.00890	0.9
89.02454	1.9
93.03455	0.8
95.95224	2.7
96.96014	100.0
99.04521	0.9
101.02453	2.1
108.04511	0.5
110.97580	2.3
111.00879	0.8
113.02455	1.0
125.02446	1.4
127.07619	0.5
129.01920	1.8
135.04523	3.6
137.02414	1.1
147.04530	2.2
149.06125	0.7
157.08665	1.6
161.04605	1.1
161.06049	1.2
169.01443	0.7
174.01675	0.6
180.07924	31.4
181.08293	2.1
192.07916	29.6
193.08533	3.3
195.10260	17.6
196.10646	1.1
201.07713	1.8
207.08687	0.6
207.10266	25.5
208.10593	1.9
210.08983	11.2
217.10800	2.2
225.11313	29.2
226.11633	2.2
227.02480	0.6
231.12457	1.1
239.09177	6.3
251.09183	4.1
260.03580	2.2
261.04401	1.2
269.10297	44.2
270.10614	3.6
272.03641	1.8
287.05945	13.2
288.06235	1.3
305.06934	1.8
305.11722	0.5
313.03915	1.4
319.04913	2.2
331.04681	1.6
349.05969	40.3
349.15161	3.3
350.06305	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	348.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69009	7.3
59.01376	40.7
61.14605	7.5
61.98812	14.5
71.01382	16.0
71.56313	15.5
88.88538	7.8
93.03454	12.7
96.96020	32.5
107.01372	19.2
111.04450	8.1
125.02486	45.0
133.02957	12.6
144.87897	8.9
151.01993	8.2
152.01158	8.3
155.03473	14.4
162.02382	8.2
169.01430	69.0
173.04578	17.7
262.13132	12.2
285.04028	100.0
325.05634	34.8
348.15021	48.5
348.65033	27.1
349.13034	15.9
371.24417	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	348.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77674	3.2
53.52194	3.5
57.03453	4.1
59.01381	100.0
71.01384	6.4
71.55575	3.6
75.28822	3.5
82.67998	2.9
89.02427	5.2
90.49559	3.3
110.63629	3.0
113.02465	3.0
119.07777	3.9
121.44647	3.3
124.47203	3.1
124.87833	3.0
269.04526	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	348.9859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03778	0.4
61.98827	100.0
63.99269	1.0
69.43415	0.4
70.68787	0.9
70.69107	0.5
90.50609	0.5
96.45942	0.4
116.08472	0.4
141.09511	0.4
162.98482	1.6
182.98949	0.4
203.99994	1.0
205.00055	2.6
205.99710	3.7
206.97432	61.4
207.93309	0.7
207.97507	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	347.0618
Annotation	Doxefazepam
Peak:m/z	Relative Intensity
57.03503	2.0
58.17342	0.8
59.01447	8.0
69.38474	0.7
71.01455	7.0
71.52903	1.1
72.99390	1.9
75.00479	1.7
75.00951	29.4
83.01443	1.2
85.02951	5.1
87.00862	3.5
89.02453	4.0
99.00890	5.3
101.02511	2.2
107.01417	4.4
111.00977	2.9
113.02469	0.8
115.04189	0.7
125.02514	18.4
125.03617	3.5
126.02888	1.0
129.01942	14.5
129.02815	0.9
141.01978	2.8
151.00404	0.8
159.02997	6.9
166.99918	0.8
167.03551	0.7
168.00710	1.4
169.01427	17.7
170.01720	1.1
171.01878	1.5
177.04021	7.3
193.06151	1.0
195.05095	100.0
196.05424	3.7
211.02441	3.6
233.19182	0.8
271.04547	4.2
329.05194	5.5
347.05875	35.7
348.06232	3.4
348.16443	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	345.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02459	2.2
57.03444	5.8
58.00590	3.0
59.01381	100.0
62.88994	2.1
69.03443	3.0
71.01383	72.5
72.99304	4.6
73.02954	15.6
75.00864	4.6
83.01385	7.8
85.02955	26.2
87.00881	5.2
89.02444	33.2
89.75950	2.3
93.03442	5.4
95.01370	6.5
96.96017	8.9
97.02914	3.7
99.00877	6.7
101.02447	45.1
102.02831	2.9
111.00879	8.1
113.02455	27.2
117.35825	2.3
119.03516	15.1
121.10235	14.5
123.04535	19.7
125.02430	5.2
129.01924	5.2
132.04559	5.0
133.05824	2.6
147.03032	3.7
153.09216	39.2
159.03085	2.8
161.04515	14.1
165.04262	4.2
165.09210	2.7
173.04521	9.1
183.10243	19.4
197.08228	30.1
207.10199	3.6
241.14476	7.6
249.06049	4.9
257.12912	3.0
258.09317	13.6
258.59518	3.8
301.11771	5.1
345.11148	18.4
345.15515	44.7
346.09448	4.0
346.15933	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	345.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.6
59.01379	100.0
60.01717	1.2
70.39210	0.6
71.01384	0.6
71.05018	2.3
80.83164	0.5
96.96019	1.1
99.04514	13.4
100.67945	0.6
121.06587	0.6
123.00912	1.1
123.04540	1.7
123.08161	21.2
124.08561	0.8
125.02459	2.3
132.04530	1.0
167.07179	2.3
168.31856	0.6
169.01480	2.4
171.01929	0.6
176.03479	1.0
183.10301	1.0
207.10289	1.2
223.13382	1.0
225.11449	0.6
241.14449	66.3
242.14796	6.4
267.12540	1.4
270.05698	5.3
285.13443	15.5
286.13776	1.6
301.12015	0.8
303.14517	1.3
315.06009	0.6
345.10873	1.8
345.15424	9.3
346.06284	0.9
346.15891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1553
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
56.02459	2.2
57.03444	5.8
58.00590	3.0
59.01381	100.0
62.88994	2.1
69.03443	3.0
71.01383	72.5
72.99304	4.6
73.02954	15.6
75.00864	4.6
83.01385	7.8
85.02955	26.2
87.00881	5.2
89.02444	33.2
89.75950	2.3
93.03442	5.4
95.01370	6.5
96.96017	8.9
97.02914	3.7
99.00877	6.7
101.02447	45.1
102.02831	2.9
111.00879	8.1
113.02455	27.2
117.35825	2.3
119.03516	15.1
121.10235	14.5
123.04535	19.7
125.02430	5.2
129.01924	5.2
132.04559	5.0
133.05824	2.6
147.03032	3.7
153.09216	39.2
159.03085	2.8
161.04515	14.1
165.04262	4.2
165.09210	2.7
173.04521	9.1
183.10243	19.4
197.08228	30.1
207.10199	3.6
241.14476	7.6
249.06049	4.9
257.12912	3.0
258.09317	13.6
258.59518	3.8
301.11771	5.1
345.11148	18.4
345.15515	44.7
346.09448	4.0
346.15933	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	345.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37860	0.5
59.01384	6.3
71.01376	1.0
75.00868	3.7
76.04898	0.4
78.99577	0.5
89.02495	0.6
92.64151	0.5
95.06152	0.5
111.08146	2.2
117.01952	1.1
123.04549	4.4
135.03004	16.9
165.12848	27.7
166.13109	1.7
183.13895	100.0
184.14227	6.9
187.23587	0.5
194.30670	0.6
209.11824	1.7
224.64330	0.5
227.12885	81.7
228.13219	5.7
229.68727	0.7
266.29758	0.5
345.11166	0.8
345.15546	16.0
346.15903	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	1.3
59.01383	15.9
71.01379	3.0
71.55307	1.1
73.02956	1.0
75.00854	1.3
83.01408	0.9
85.02951	1.2
86.06120	3.3
89.02462	1.4
93.03448	4.2
93.62115	1.0
95.01371	1.8
95.04984	1.0
96.96011	13.5
98.95599	1.2
101.02402	1.9
105.03382	1.1
107.01381	1.4
108.01575	1.1
108.02184	14.4
109.06713	0.9
111.00823	1.0
120.02164	1.0
121.02143	1.7
121.02946	22.1
122.03275	1.4
123.04527	30.7
125.02465	6.1
132.02164	1.3
133.02959	9.0
134.03731	1.0
135.04472	2.2
137.02423	1.9
140.01135	2.1
145.02914	2.9
147.04495	2.0
149.02483	1.1
151.00339	1.7
153.09192	2.6
159.04523	1.1
161.02414	2.9
162.03163	2.3
164.07097	2.5
165.01945	5.2
165.07463	3.1
168.00603	1.6
169.01442	7.1
172.05327	2.2
178.02689	7.8
185.06070	8.8
186.06801	4.1
187.04036	2.1
190.54918	1.0
197.08144	1.0
199.03963	2.4
210.01675	1.5
211.02313	2.5
213.05579	1.9
214.06331	4.2
230.02139	2.6
234.11333	2.3
235.11635	7.3
241.03296	1.3
242.05853	14.2
243.06194	2.3
257.08188	15.7
264.12390	2.0
265.12732	7.5
270.05664	1.4
286.04788	11.4
301.07162	100.0
302.07571	9.0
345.05887	3.2
345.10663	10.5
345.60886	4.3
346.10834	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	344.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39547	0.9
59.01379	10.8
59.35449	1.0
71.01354	1.6
72.00911	3.2
75.00883	2.2
79.95750	2.0
86.06121	27.0
91.05511	5.0
91.79013	0.9
93.03454	3.6
95.01380	1.6
96.96010	95.3
98.06125	5.7
108.02174	10.4
113.02459	1.5
121.02947	16.0
123.04524	20.6
125.02441	4.4
133.02930	8.0
134.03714	1.2
135.04517	3.6
145.02940	2.5
147.04512	26.6
148.04854	2.0
148.25070	1.3
153.09152	2.4
159.04443	1.3
161.02509	1.7
162.03281	1.8
164.07158	58.8
165.01945	3.0
165.07458	4.3
169.01402	4.6
172.05217	1.7
173.73570	1.2
178.02737	7.3
185.06061	7.0
186.06805	2.6
187.03981	1.1
191.05627	1.3
192.05931	1.6
213.05600	1.7
214.06302	3.0
234.11351	67.4
235.11696	5.5
241.05215	2.4
242.05858	12.6
257.08215	12.9
264.12393	76.7
265.12729	7.1
266.74884	1.1
286.04791	9.1
300.09061	1.9
301.07162	80.7
302.29166	1.1
344.08063	100.0
345.06055	4.8
345.08664	1.4
345.14841	2.0
362.59659	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.57037	0.9
58.81853	0.9
59.01368	3.4
59.53066	0.9
63.10823	0.8
69.03430	1.3
71.01364	1.1
71.52388	0.9
83.05001	1.2
83.80711	0.8
85.02926	1.9
93.03461	1.3
96.95965	1.3
99.08166	7.6
107.01377	1.4
111.04443	0.9
121.02937	4.1
121.10233	2.8
125.02428	4.2
137.09752	1.1
169.01419	7.7
171.10262	18.2
189.67929	1.1
191.05611	20.0
193.12321	13.3
194.91553	1.1
203.84296	0.9
211.13403	1.9
225.14955	19.8
226.15384	1.4
232.13281	1.0
243.16035	7.0
289.18121	2.7
293.21182	2.6
343.06815	2.1
343.24863	100.0
344.25146	13.4
344.28931	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	4.7
59.01376	21.7
59.52790	2.2
69.98322	9.6
80.21887	2.0
83.05018	3.1
85.02943	5.2
94.14264	2.1
109.02934	4.7
109.06590	3.3
119.05013	4.6
121.02933	10.3
125.02423	5.9
135.04510	9.0
136.04790	2.8
137.06070	32.7
142.64621	2.5
166.02721	2.2
169.01427	8.3
169.12271	2.9
180.03693	2.5
181.05075	100.0
182.05339	5.7
188.33412	2.2
191.05611	12.6
195.13867	39.8
196.14278	2.4
343.10397	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	343.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17241	0.7
54.30676	0.7
59.01380	100.0
59.38947	0.7
60.01697	0.9
62.25443	0.7
69.18628	3.5
69.19057	4.1
71.01394	1.5
75.00869	1.1
79.95729	0.8
85.02965	2.0
93.03448	0.9
95.95234	1.7
96.96016	3.1
101.06116	1.2
107.01414	1.3
121.02984	2.9
125.02451	2.7
134.02112	0.7
165.86153	0.8
169.01399	5.3
191.03755	1.1
191.05594	10.8
218.10713	6.4
218.61020	1.6
233.87851	0.8
283.19131	1.6
301.16824	1.6
301.20135	9.9
302.20758	0.8
343.14847	1.1
343.21222	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	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49926	1.8
59.01367	6.1
70.10783	8.0
71.01362	3.2
85.02949	5.2
89.02459	1.8
90.86417	1.8
93.03465	3.2
107.01371	3.0
121.02952	19.4
121.10246	12.3
125.02430	7.7
127.11264	2.6
137.09711	4.3
139.11273	3.4
165.01936	1.9
165.09262	2.4
169.01433	15.1
171.10266	62.5
172.10576	2.6
173.04521	2.9
180.10446	1.9
189.27939	1.8
191.05608	32.7
192.05975	2.2
197.85988	2.2
238.06918	1.8
264.80212	2.0
293.21155	2.0
311.78464	1.9
343.06415	2.9
343.24878	100.0
343.28348	3.9
344.25159	12.0
368.48438	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1396
Annotation	Taxuside
Peak:m/z	Relative Intensity
50.19566	0.3
57.03423	0.3
59.01106	0.4
59.01381	5.2
62.64000	0.3
67.01911	0.3
69.03468	0.4
69.46143	2.4
71.01386	2.0
73.02940	0.5
75.00875	0.5
83.01352	0.5
84.20212	0.3
85.02945	1.7
87.00830	0.3
89.02443	0.4
89.80345	0.3
93.03451	1.6
96.96018	0.5
98.19949	0.7
99.00870	0.4
101.02435	1.2
102.32714	0.3
107.01385	0.9
108.02147	0.6
109.03030	0.6
111.04505	0.4
113.02438	0.5
121.02946	1.2
122.03740	9.3
123.00869	0.4
123.04129	0.4
124.01653	0.7
125.02444	5.6
135.04530	0.8
136.05302	11.6
137.02441	1.3
137.06108	3.1
154.02716	0.9
166.06401	1.5
169.01422	9.4
169.02826	0.6
170.01813	0.3
173.04610	2.1
179.07149	0.8
180.04285	13.2
181.05362	3.1
181.08701	100.0
182.09009	6.1
191.05621	6.0
191.07155	0.4
193.04970	0.4
211.60966	0.3
238.95558	0.3
253.07065	0.3
255.11258	0.3
278.96915	0.3
311.10361	0.4
313.19910	0.3
342.55756	0.4
343.06647	1.9
343.10361	8.5
343.13971	3.3
344.06989	0.4
344.10715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52097	1.9
57.03435	5.4
59.01379	20.6
60.68945	1.9
66.92195	1.6
68.99366	2.0
69.16850	20.0
70.42869	1.9
71.01383	3.7
80.43733	1.9
85.02937	5.6
97.46947	1.9
98.20583	4.3
103.56719	2.1
107.01437	3.1
109.02957	5.6
109.06578	4.8
119.05041	3.8
121.02943	6.3
125.02436	8.0
130.66895	2.1
135.04570	9.8
137.05083	3.4
137.06078	24.2
166.02711	3.0
169.01422	13.1
169.12285	2.3
173.04420	2.1
179.03468	4.3
180.03824	3.1
181.05077	100.0
182.05409	4.9
191.05630	16.4
195.13901	47.6
196.14281	2.2
317.76285	2.1
343.06638	4.1
343.10403	8.1
360.91580	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	343.1035
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
52.38089	0.4
55.01875	0.4
55.22307	0.5
57.03448	0.5
59.01376	1.9
65.00335	0.7
71.01379	1.0
71.05023	0.9
71.55423	0.4
71.55788	0.5
73.02949	1.1
81.03468	3.8
83.01376	1.1
83.05002	0.5
85.02948	0.7
93.03452	0.9
94.61653	0.5
94.95533	0.4
95.05016	3.0
96.96021	1.2
97.02946	3.4
99.04487	0.8
104.34750	0.4
107.01389	1.1
121.02937	2.1
122.03735	1.0
123.00812	0.5
125.02442	8.4
127.13615	0.4
137.06078	37.9
138.06419	2.1
139.03987	0.9
149.02429	1.2
149.06140	0.5
150.97386	0.5
151.00365	0.4
151.03981	1.0
163.04033	0.9
165.05551	0.9
169.01430	4.6
177.05556	1.7
179.03563	0.5
180.04184	0.5
181.05060	100.0
181.77245	0.5
182.05370	5.2
184.65657	0.4
187.03993	0.7
188.42944	0.4
191.05579	5.6
191.06889	0.5
193.05070	1.2
195.06612	2.3
201.01830	0.4
205.05046	24.9
206.05351	1.7
211.02533	0.7
223.06107	10.7
224.06369	0.5
235.06056	2.0
241.03589	0.7
247.06122	0.5
283.08194	0.7
331.66470	0.5
343.10367	3.7
343.21133	0.9
344.10168	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	343.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37360	0.3
57.03445	0.7
59.01377	3.5
67.01883	0.8
69.03458	0.7
69.58881	0.4
70.05901	1.4
71.01387	2.8
72.00916	0.4
73.02932	0.5
81.03458	0.6
83.01375	0.8
83.05026	0.4
85.02952	9.2
87.00871	2.7
89.02414	0.5
93.03470	3.4
95.01392	1.8
97.02963	0.6
99.00878	0.5
101.02458	0.4
107.01389	8.0
107.05054	0.5
108.02139	0.5
109.02945	1.6
111.00868	1.2
111.04500	1.4
113.02436	0.7
119.05008	1.0
121.02957	1.2
122.03644	0.4
123.00889	27.5
124.01702	6.7
125.02451	21.7
125.03192	0.4
126.02793	1.2
127.04020	1.9
129.01909	0.9
131.30446	0.3
135.04526	0.8
137.02438	1.2
137.06023	0.3
138.03227	13.8
139.00342	0.4
139.04024	10.5
140.01122	0.4
149.02414	0.5
150.03212	0.7
151.03961	0.4
154.99815	0.4
155.03519	0.8
161.02490	0.5
161.04521	0.4
163.04063	0.5
165.01933	1.2
166.02710	1.3
167.03540	0.5
169.01421	39.8
170.01718	1.5
171.03027	0.7
173.04547	3.1
178.07552	0.4
179.03453	0.6
181.05061	3.0
191.05608	100.0
192.05980	4.3
193.05072	0.7
196.67897	0.3
222.07411	0.3
247.48396	0.4
266.52820	0.4
312.53815	0.4
328.08026	0.5
343.06668	14.7
343.10397	4.4
344.07144	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18016	0.4
54.58405	0.4
59.01369	1.7
67.01871	0.5
69.03445	0.4
71.01375	1.7
78.95927	0.4
83.05027	0.7
85.02952	8.2
87.00875	1.6
90.44473	0.4
93.03456	3.8
95.01437	0.4
107.01400	4.8
108.01738	0.4
109.02928	0.7
111.04510	1.6
123.00871	0.7
125.02451	12.4
126.02771	0.7
127.04010	1.5
137.02441	0.7
155.03575	0.5
169.01424	26.2
170.01749	1.1
173.04521	3.6
191.05606	100.0
192.05949	5.5
201.65938	0.4
319.74985	0.4
343.06635	8.3
343.10419	0.7
344.06873	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
67.01887	2.3
68.38459	0.4
69.03453	1.3
69.56826	0.4
71.01202	0.5
73.02947	0.5
79.96677	0.6
81.03445	0.9
85.02937	7.2
87.00884	1.2
93.03457	10.9
94.03799	0.5
97.02986	0.6
99.04466	0.5
107.01393	6.7
109.02923	0.7
111.04511	3.1
125.02444	43.8
126.02792	2.4
127.04008	1.8
137.02457	2.1
143.03448	0.6
155.03481	3.4
158.05057	0.6
162.41112	0.5
169.01416	100.0
170.01718	3.1
173.04539	21.1
173.06044	1.0
174.04907	0.6
191.05602	59.8
192.05861	2.4
200.14357	0.5
242.23083	0.5
261.62909	0.5
295.03458	0.5
343.06671	21.8
344.07010	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06895	1.0
59.01376	16.6
69.03470	1.2
70.32771	0.9
70.71548	2.4
70.71883	2.2
71.01381	12.4
78.29038	1.0
78.83094	1.0
84.02162	30.6
85.02962	2.0
89.02441	14.5
97.02944	9.2
97.06601	1.5
99.04542	7.1
101.02422	6.9
113.02460	4.2
119.03485	4.2
119.08649	3.1
125.09737	2.2
125.83012	0.9
127.11282	1.6
135.08192	2.9
137.09692	2.1
151.00337	2.4
161.04573	1.6
166.99922	1.4
171.10263	77.4
172.10588	3.9
179.05568	3.5
193.12331	2.6
194.99043	1.0
225.15041	2.2
226.33900	1.0
237.41965	1.0
253.14484	1.8
287.30997	1.2
291.19473	3.5
293.73566	1.1
341.10980	3.9
341.23306	100.0
342.23682	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2694
Annotation	Eicosanedioic acid
Peak:m/z	Relative Intensity
59.01380	5.8
64.48873	0.6
69.24659	0.7
71.01379	4.5
84.14661	0.6
85.02934	0.6
89.02434	4.9
95.01477	0.6
96.41566	0.6
101.02431	2.1
113.02440	1.5
114.50104	0.6
119.03506	2.0
121.85955	0.6
143.03545	0.6
147.63548	0.6
151.00395	0.7
161.04582	0.6
179.05579	2.9
195.83676	0.6
229.54448	0.7
277.25433	1.0
279.26910	66.9
280.27319	8.4
297.28000	1.5
323.25894	21.1
324.26419	3.2
341.10849	2.2
341.26935	100.0
342.23419	1.1
342.27283	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	342.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22027	1.3
58.02973	12.9
59.01366	6.0
69.15009	11.7
69.15423	5.5
70.50204	1.3
71.01378	24.5
85.02936	1.7
88.04037	100.0
88.49313	1.5
89.02435	3.4
89.04364	2.1
90.02731	1.8
96.96037	2.7
98.20621	2.5
111.08155	1.9
115.00377	23.5
121.02997	2.0
125.02440	3.5
132.03011	13.9
136.04013	5.4
136.07693	2.8
147.03217	2.6
165.12830	13.7
169.01352	6.5
173.04648	1.5
182.15482	39.0
183.13896	27.4
183.15585	2.5
184.14206	2.4
186.66838	1.3
191.05569	11.7
207.11603	1.7
208.13213	1.5
226.14476	55.5
227.12869	37.3
227.14767	3.0
228.13255	2.5
236.16592	5.6
254.17670	4.9
280.15524	4.8
298.16580	3.5
311.01944	4.0
322.16064	1.4
324.14648	8.9
342.15533	82.5
343.04453	3.5
343.09201	3.1
343.15872	9.4
343.20810	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74482	4.6
57.03459	36.1
59.01383	59.1
63.69040	4.9
64.10435	4.6
67.28423	4.6
71.01397	40.0
71.53132	6.5
72.99348	5.4
73.02949	5.0
75.00867	9.0
79.95753	5.4
83.01388	14.0
85.02952	100.0
89.02453	27.2
96.96022	53.6
101.02438	22.5
105.56892	4.8
109.06577	8.1
111.00888	38.9
113.02433	6.4
119.03506	11.8
129.01924	30.5
135.02972	16.6
135.04538	54.8
135.08173	14.0
137.09668	6.9
138.05647	5.5
149.02405	6.9
163.11317	7.4
167.10802	5.6
177.01845	5.9
177.09210	19.1
179.03517	63.8
179.05067	7.9
179.05693	8.9
193.12306	55.0
205.01558	11.5
205.03491	32.3
211.13361	9.7
223.04530	79.3
223.06441	6.3
235.13411	13.2
265.51794	5.0
284.41534	4.5
341.05429	6.6
341.10764	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80243	0.6
57.03433	1.4
58.00595	1.4
59.01377	18.4
69.03439	2.5
69.19493	6.1
71.00995	0.9
71.01380	13.2
72.99322	1.2
83.01366	1.0
83.05004	1.5
84.02164	4.5
85.02938	2.3
87.00848	0.7
89.02443	14.5
90.85648	0.6
95.01394	0.8
95.05016	1.1
97.02966	1.4
97.06589	11.3
99.04519	1.5
100.76025	0.7
101.02428	6.6
107.35931	0.6
111.08139	0.6
113.02454	4.3
119.03510	5.3
123.00905	1.0
125.09715	2.2
131.03473	0.9
132.90143	0.7
137.02429	0.7
137.09723	1.3
143.03490	1.9
149.04547	0.8
151.00317	0.7
161.04497	1.8
165.12796	0.8
171.10249	11.8
175.11221	1.8
179.05621	5.4
183.13885	1.7
185.11809	1.2
185.15477	1.4
193.12308	17.2
194.12621	1.5
197.15472	0.9
202.56889	0.8
211.13390	6.2
221.11850	1.2
225.14934	21.6
226.15277	2.1
239.12865	1.2
243.15982	8.2
244.16356	0.7
253.14494	0.9
291.19693	1.5
305.21326	1.2
341.10931	6.2
341.23291	100.0
342.23608	10.1
342.27420	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
58.00582	4.9
59.01378	100.0
60.01737	1.6
69.03461	1.4
70.14890	3.8
71.01382	75.4
72.01719	1.4
72.99316	3.6
73.02967	1.4
73.69025	1.2
74.85855	1.4
75.00882	4.4
83.01414	3.0
85.02956	12.6
87.00883	3.6
88.86066	1.0
89.02445	95.9
90.02778	1.6
95.01379	4.7
98.20578	1.3
101.02446	35.8
111.24133	1.1
113.02454	28.3
119.03503	30.2
123.00847	3.3
123.69067	1.2
125.02409	1.7
131.03503	5.2
131.07886	1.3
143.03513	9.0
149.04556	4.4
156.62175	1.3
161.04570	10.6
162.20872	1.1
166.99847	5.2
167.03554	3.3
179.05614	36.9
297.37427	1.4
305.06970	1.7
341.10883	47.4
342.11197	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	16.8
59.01377	100.0
69.27650	57.3
71.01384	68.9
72.99302	26.6
76.36102	6.3
79.95721	13.0
81.03468	13.3
85.02958	35.3
87.00862	6.9
89.01921	8.6
89.02437	72.3
89.39844	5.2
96.96020	89.4
98.95571	12.6
99.00901	13.3
101.02411	33.5
111.00845	10.4
113.02467	35.5
117.69288	6.1
119.03457	18.1
125.02441	49.2
129.01932	26.7
134.03751	6.7
135.04553	35.6
135.08174	10.2
143.03465	15.7
147.03004	11.6
149.02426	14.7
155.63510	6.2
161.04584	8.1
164.04752	14.4
177.09219	16.1
179.03482	45.4
179.05588	25.0
193.12308	36.3
195.53511	6.7
205.03511	68.7
211.13318	13.9
217.12408	5.8
223.04385	47.9
223.06425	11.4
235.13280	8.0
340.55524	28.9
341.05240	14.8
341.11273	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	341.1086
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01871	1.8
57.03445	1.2
58.00577	3.2
58.34803	1.0
59.01377	100.0
60.01712	1.5
62.26328	0.9
70.50431	2.8
71.01378	67.0
72.01722	1.4
72.99303	2.9
75.00878	2.9
78.10582	1.0
83.01390	3.8
85.02952	7.3
87.00883	4.4
89.02439	88.4
90.02775	1.7
95.01389	5.6
96.68824	1.1
97.02943	1.2
99.00889	0.9
101.02437	33.3
102.02827	1.0
113.02444	26.9
119.03492	31.0
119.04335	2.1
120.03797	1.1
123.00883	3.4
125.02442	1.5
131.03502	3.7
131.04454	1.0
143.03500	9.6
145.02039	1.2
148.34576	1.2
149.04541	4.0
161.02499	1.2
161.04547	9.1
166.99844	5.0
167.03473	2.7
179.05597	33.5
180.06046	1.6
286.03665	1.1
301.32407	1.1
341.10880	41.1
342.11166	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1088
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
57.03448	2.0
58.00582	4.9
59.01378	100.0
60.01737	1.6
69.03461	1.4
70.14890	3.8
71.01382	75.4
72.01719	1.4
72.99316	3.6
73.02967	1.4
73.69025	1.2
74.85855	1.4
75.00882	4.4
83.01414	3.0
85.02956	12.6
87.00883	3.6
88.86066	1.0
89.02445	95.9
90.02778	1.6
95.01379	4.7
98.20578	1.3
101.02446	35.8
111.24133	1.1
113.02454	28.3
119.03503	30.2
123.00847	3.3
123.69067	1.2
125.02409	1.7
131.03503	5.2
131.07886	1.3
143.03513	9.0
149.04556	4.4
156.62175	1.3
161.04570	10.6
162.20872	1.1
166.99847	5.2
167.03554	3.3
179.05614	36.9
297.37427	1.4
305.06970	1.7
341.10883	47.4
342.11197	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.6
56.88705	1.6
57.03234	1.8
57.03452	19.3
59.01382	14.5
70.42643	3.8
71.01392	15.5
72.99303	1.9
73.02959	3.5
75.00863	2.8
75.87460	1.7
79.95745	4.8
83.01383	13.2
84.02179	2.2
85.02947	100.0
86.03286	3.1
89.02452	6.5
91.05553	2.0
95.05021	1.6
96.96015	24.7
98.95589	4.3
101.02421	9.7
103.03944	1.6
103.04633	1.7
107.01383	2.1
111.00881	39.1
113.02474	3.0
119.03501	1.9
123.00977	2.0
129.01944	30.1
129.05589	2.9
143.03526	1.8
147.02986	4.0
147.06656	2.1
161.04558	3.2
169.01431	5.6
179.03511	7.7
179.05589	3.0
179.10779	2.6
187.02533	2.0
205.03526	37.6
223.04559	85.0
224.04880	3.1
251.01299	2.0
259.52856	4.3
340.55716	9.8
341.05377	6.1
361.02695	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	341.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.9
61.67817	0.8
71.01385	9.6
71.52241	0.8
72.99305	1.1
75.00865	2.6
78.00112	0.8
83.01408	1.0
85.02946	3.1
87.00878	1.4
89.02435	9.4
91.05534	0.9
93.03429	0.8
96.96008	3.5
101.02450	3.5
107.01379	1.3
111.00881	1.2
113.02460	3.4
119.03508	3.1
119.05030	1.1
121.02946	15.0
123.00887	1.4
125.02440	3.5
131.03514	0.9
132.02179	1.6
135.02998	11.5
135.04474	0.8
139.00385	1.1
146.73616	0.7
147.04517	6.7
149.02434	83.1
150.02809	4.0
151.00323	1.2
152.51199	0.8
164.04790	61.6
165.05147	3.8
168.00571	0.9
169.01430	4.6
179.05597	2.4
179.07112	4.5
180.06618	0.9
223.06110	100.0
224.06509	6.0
265.58258	0.8
283.06448	1.5
305.57510	2.6
341.11197	3.6
341.58456	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	340.1259
Annotation	3-Trehalosamine
Peak:m/z	Relative Intensity
58.00583	0.4
59.01377	17.9
65.01453	0.6
66.00980	0.8
70.13440	1.5
71.01382	14.0
72.99295	0.8
73.02938	0.6
83.01384	0.7
87.00857	2.3
89.02443	15.6
90.62629	0.4
95.01398	1.8
96.96017	1.4
99.00879	0.4
101.02437	6.2
108.02054	0.6
113.02448	5.1
115.00396	1.6
116.87257	0.4
119.03497	6.5
123.00895	3.4
123.04478	0.9
125.02451	3.7
131.03438	0.7
133.01559	43.2
134.01930	1.0
135.03177	1.4
135.04504	1.4
137.02454	0.8
139.00305	0.6
139.04031	0.7
143.03508	1.4
148.03854	0.5
149.04643	1.6
150.54762	0.5
161.02431	6.5
161.04590	1.3
163.05009	3.4
165.01936	0.5
166.99892	3.2
167.03467	3.2
169.01433	0.9
175.02438	2.6
177.06598	0.9
178.07335	100.0
179.03484	7.1
179.05602	5.4
179.07628	4.3
190.07382	0.6
192.08902	5.1
202.07425	2.0
207.66315	0.4
219.06364	0.4
220.08388	2.9
262.09311	0.6
305.06628	3.1
340.12601	80.9
341.05072	1.0
341.12796	4.6
356.03214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
57.03446	1.5
59.01382	25.4
59.01686	1.3
64.33170	0.6
67.70643	0.7
71.01385	16.7
71.03588	0.7
71.54027	0.8
72.99309	2.9
73.02981	1.1
75.00871	1.4
79.95725	1.9
81.03483	1.9
83.01389	1.4
85.02961	4.7
87.00877	2.3
89.02446	16.9
89.56631	0.6
93.03468	3.6
95.01434	0.8
96.96014	11.5
98.02427	0.7
98.95692	0.8
98.96384	0.8
99.00864	1.0
101.02442	7.5
107.05033	2.1
107.12315	0.7
109.02938	1.3
110.00513	0.7
110.97575	0.7
111.00895	3.7
113.02448	6.9
117.03461	0.9
119.03510	5.9
123.00853	1.3
123.04524	0.8
123.08148	0.8
124.01655	0.7
125.02441	8.5
127.16790	0.7
129.01950	1.7
131.03525	1.3
133.02957	3.0
134.03772	2.8
135.04529	100.0
136.01749	0.8
136.04852	4.2
136.07605	0.8
137.02469	3.0
139.03914	1.2
143.03546	1.9
149.02452	0.8
150.02818	0.8
151.00366	0.8
161.02440	12.6
161.04546	2.4
162.02928	0.7
165.01984	1.4
166.99854	0.9
167.03513	2.9
173.00937	0.8
173.04512	3.7
177.09109	0.8
178.06393	1.4
179.03502	95.0
179.05511	4.4
180.03883	4.8
180.42215	0.8
191.05576	4.5
191.42538	0.7
193.08678	1.0
193.12335	3.0
204.04329	0.9
205.03537	3.1
211.13388	1.1
221.04591	1.2
223.04607	2.2
259.52982	1.1
281.14063	0.7
305.06686	5.4
340.55566	3.2
341.05154	1.7
341.09015	9.0
341.11865	1.6
341.55511	0.7
342.15356	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.9
57.03452	16.0
58.67405	2.2
59.01381	25.5
61.89509	2.3
63.20613	2.6
66.60542	2.2
68.58401	2.5
71.01382	27.9
72.99303	3.1
73.02939	3.8
75.00868	4.0
79.20384	2.2
79.95737	9.7
83.01392	9.8
85.02951	100.0
86.03306	2.7
87.00874	5.5
89.02444	17.3
89.16177	2.2
91.05547	3.2
93.03471	6.0
96.96007	36.4
98.95576	5.0
101.02469	13.0
111.00893	36.9
113.02480	6.2
119.03506	5.0
121.02937	6.9
129.01955	31.7
135.04549	6.3
137.02457	3.1
138.02818	2.6
147.02995	2.4
148.82314	3.1
149.02455	3.2
161.04518	3.8
164.04755	3.5
176.34930	2.8
179.03580	4.7
179.05629	6.0
192.82730	2.3
205.03545	33.7
223.04579	80.3
259.52936	3.6
340.55640	13.0
341.05420	10.2
341.10703	5.2
361.19049	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	337.0931
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.95378	0.4
54.29137	0.5
54.30668	0.5
57.03446	0.6
59.01380	5.2
59.71686	0.5
60.91503	0.4
65.42229	0.4
67.01888	1.0
69.03416	0.5
69.21344	4.5
71.01395	1.6
71.05037	0.6
79.95734	0.9
83.05033	0.7
85.02452	0.5
85.02961	7.4
87.00856	2.2
89.02438	0.5
93.03455	6.4
95.95258	0.5
96.96014	14.6
99.00881	1.4
99.04501	0.8
101.02409	0.5
109.02980	0.6
111.00880	1.0
111.04528	1.3
113.02500	0.6
115.13100	0.4
119.05011	2.8
125.02435	2.0
127.03973	2.6
131.07150	1.0
136.01617	0.5
137.02457	0.5
143.07132	1.5
145.02934	1.2
151.04012	0.5
152.60609	0.4
161.02408	0.5
163.03996	2.6
169.01413	1.7
171.02983	0.6
171.21902	0.4
173.04527	2.8
181.11069	0.5
191.05611	100.0
192.05974	4.2
193.05011	0.6
215.12997	0.8
253.13084	0.5
257.13849	0.8
275.90576	0.4
337.09634	13.7
338.09720	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24238	0.7
52.24472	0.7
53.15032	0.7
55.45877	0.6
59.01376	1.0
59.20436	0.7
62.90387	0.6
69.61862	3.5
79.21445	0.7
83.05005	1.1
85.02950	2.1
93.03446	3.2
98.20642	1.1
106.70972	0.8
111.04512	2.3
119.05032	54.8
120.05360	1.9
129.95317	0.8
137.02374	0.7
155.03477	1.4
160.31778	0.7
163.04021	100.0
164.04376	4.6
173.04561	5.0
191.05621	15.7
197.51648	0.7
272.44077	0.8
337.09265	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	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93075	1.0
54.79738	1.0
55.01850	1.2
57.03455	1.8
58.00578	3.3
59.01380	100.0
60.01694	1.3
71.01382	54.2
71.53129	1.4
72.99316	5.6
73.02931	2.5
83.01385	3.4
85.02947	11.2
87.00870	4.6
88.72347	1.0
89.02444	56.6
90.02805	1.0
93.03455	4.3
95.01394	5.2
96.96016	6.1
99.00864	1.3
101.02448	35.0
111.00861	3.7
113.02444	22.0
119.03507	27.5
119.04997	3.2
125.02438	2.6
131.03476	2.9
138.02057	1.0
143.03482	1.8
149.04559	2.1
161.02472	1.2
161.04495	2.3
163.04002	4.8
169.01384	1.5
173.04521	6.6
179.05608	3.4
191.05597	13.0
237.12662	1.2
237.58600	1.0
272.81207	1.3
337.10245	4.4
337.15012	97.5
338.15384	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.7
58.00583	3.4
59.01379	100.0
60.01688	1.4
63.05227	1.4
69.71166	2.8
69.71576	4.8
69.81496	1.1
71.01380	53.9
72.99303	4.4
73.02895	1.1
76.03095	1.2
77.09351	1.1
83.01382	4.2
85.02953	12.5
87.00875	2.0
89.02443	51.9
93.03439	4.3
94.37724	1.1
95.01390	3.5
96.96017	4.1
99.00867	1.8
101.02436	37.1
102.02726	1.5
111.00884	6.3
113.02453	19.4
113.09660	1.0
119.03503	24.6
119.05029	3.7
131.03506	1.6
143.03459	1.6
143.87582	1.1
159.81250	1.2
161.04568	2.9
163.04004	3.3
173.04512	3.1
179.05647	2.4
179.69472	1.1
191.05634	14.6
192.05939	1.3
204.04251	1.1
337.10220	3.4
337.15005	90.3
338.15402	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	337.2385
Annotation	2alpha,3alpha-Dihydroxycativic acid
Peak:m/z	Relative Intensity
57.03439	2.0
59.01374	6.3
69.05831	1.5
71.05025	28.5
71.54934	1.8
83.05021	7.4
85.06593	40.3
86.06939	1.6
96.96018	5.2
109.06556	4.4
111.00882	4.2
111.08150	9.7
125.02454	2.0
125.09724	18.7
137.09669	2.9
139.11331	3.2
141.12866	19.5
149.09666	1.6
151.11285	6.5
153.12848	3.9
169.01396	2.7
169.12323	7.0
181.12463	2.1
205.15982	25.1
210.95432	1.7
211.17036	55.0
212.17381	4.4
223.17018	7.0
233.19095	3.2
237.46968	1.8
251.20178	2.8
275.23746	4.3
293.24866	100.0
294.25247	12.7
337.11282	7.9
337.23837	64.7
337.61490	2.4
338.24170	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	339.0721
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
59.01374	2.7
59.19474	0.5
59.93536	0.5
64.63309	0.5
65.00328	0.7
65.03964	1.1
67.01894	1.3
69.32900	1.5
69.33305	2.7
71.01373	0.9
73.02973	0.5
85.02914	0.7
91.01895	51.4
92.02256	1.9
96.96032	1.1
98.19942	1.2
108.02188	1.0
109.02947	14.4
110.03298	0.5
121.02918	1.5
123.04520	0.7
125.02442	0.8
133.02966	1.1
135.00882	100.0
136.01141	3.7
137.02435	3.5
137.72075	0.6
149.02385	1.4
153.01932	63.1
154.02321	2.6
158.22256	0.5
161.02483	1.8
165.84390	0.5
169.01474	0.9
177.01990	1.2
189.01912	1.5
279.05185	0.9
296.09937	0.6
297.06171	0.9
339.07172	29.2
340.07440	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2327
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
59.01349	0.8
59.27959	0.4
59.77908	0.4
72.58644	0.4
77.23036	0.4
79.95732	0.8
83.69624	0.5
85.78552	0.4
98.19841	0.9
100.67245	0.5
119.05027	1.1
129.82762	0.5
130.13463	0.4
163.11287	100.0
164.11620	5.3
170.00424	1.1
183.01202	44.7
184.01651	2.1
195.04315	0.5
197.02817	1.6
216.00952	0.7
225.05875	0.6
239.07582	1.0
339.19925	70.7
339.23392	40.6
340.20233	9.7
340.23770	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	337.0775
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
59.01380	4.6
68.99814	3.3
70.92245	1.9
70.92590	1.4
71.01387	6.3
75.00877	1.3
83.01392	2.3
85.02953	6.0
87.00879	2.2
89.02444	1.5
95.01348	1.0
97.02935	1.7
99.00908	5.5
101.02448	2.7
107.49358	0.9
111.00818	2.2
113.02464	7.4
113.99593	20.0
115.00391	7.6
127.00358	2.1
129.01936	2.8
139.00267	1.1
157.01414	6.0
169.01405	1.7
174.01691	17.9
175.02534	3.0
212.60103	1.0
230.37453	0.9
277.05630	21.4
278.05862	1.9
307.84293	1.0
337.07755	100.0
338.08145	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	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.31066	0.7
57.03459	0.7
59.01373	2.3
69.34921	4.8
70.07109	0.7
71.01392	1.1
83.05035	1.0
85.02946	4.9
87.00866	1.3
91.28593	0.6
92.85596	0.6
93.03457	5.4
104.37148	0.7
111.04482	1.6
113.02436	0.7
119.05026	61.1
120.05367	2.2
127.03992	1.3
145.02946	0.9
155.03528	2.0
163.04004	100.0
164.04366	5.0
173.04543	5.8
191.05606	39.1
192.06010	1.4
193.81850	0.6
243.67160	0.7
248.85147	0.6
337.09344	5.6
337.14908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
57.30080	0.5
59.01101	0.7
59.01379	9.1
62.64210	0.7
67.01891	0.8
69.03443	1.3
70.47089	0.7
71.01389	6.0
71.55470	0.7
73.02943	2.2
81.03436	1.2
83.01387	1.0
83.05017	0.8
84.16477	0.5
85.02953	5.9
87.00880	2.6
87.39820	0.6
89.02454	2.0
93.03461	5.8
95.01390	0.9
96.96017	4.0
97.02995	0.9
99.00896	1.5
101.02463	3.7
109.02915	0.7
109.65233	0.7
111.00883	4.6
111.04533	2.5
112.04032	0.8
113.02437	2.8
119.05027	55.7
120.05312	3.2
121.02917	0.8
124.04105	0.7
125.02448	2.6
127.03985	1.2
129.01981	0.7
135.04552	0.7
136.07722	0.7
137.02492	1.3
138.05589	0.9
145.02954	0.7
155.03517	2.8
161.04494	1.3
163.04007	100.0
164.04343	4.4
167.03410	0.8
169.01445	2.0
173.00964	0.6
173.04541	7.4
174.06529	0.6
189.11343	1.8
191.05605	31.9
192.05940	1.8
235.28481	0.6
248.24472	0.5
293.06665	1.2
337.09543	4.9
337.15356	2.9
337.18735	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99404	1.0
55.01869	1.6
57.03452	5.3
59.01375	19.8
60.71881	1.1
67.01875	1.9
68.99792	1.4
69.52137	8.3
71.01375	5.2
73.02942	1.6
75.00884	1.1
80.96500	1.3
81.03436	2.2
83.01395	5.2
85.02946	29.7
85.06565	2.6
87.00880	3.0
87.04533	1.2
88.04029	1.8
89.02442	3.3
93.03450	3.8
95.01431	1.5
96.96027	2.9
97.02950	2.0
98.20610	2.2
99.00881	1.4
101.02457	2.4
107.04999	1.8
109.02929	5.3
109.89482	1.2
111.00882	13.5
111.04504	2.8
113.02442	2.1
119.05019	52.8
120.05359	2.1
121.02972	1.8
123.00852	1.1
125.02432	7.1
129.01944	10.9
131.07138	4.1
137.02486	7.2
139.00410	2.2
139.04015	1.5
141.01933	2.4
149.02429	1.4
151.03960	3.4
153.01929	11.7
154.99916	2.2
155.03519	2.5
163.03999	100.0
164.04372	4.7
165.01941	5.3
166.02690	2.5
167.03481	4.7
173.04530	5.9
175.04065	1.2
177.01830	2.6
177.05548	1.3
183.03012	1.4
191.01959	1.4
191.03641	2.2
191.05605	19.2
193.01431	1.6
203.07135	3.1
205.03528	7.0
205.05199	1.8
221.08217	3.4
223.04590	2.7
231.06653	1.9
233.04453	1.7
247.06383	1.2
248.53120	1.3
275.05606	2.1
293.06430	1.6
319.04483	1.9
337.05597	3.6
337.09451	2.5
337.14642	2.4
338.12363	1.4
348.03445	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
56.60791	0.6
57.03447	0.7
59.01368	3.0
59.18193	0.5
64.06258	0.5
68.99817	3.9
69.03459	1.0
69.93864	2.2
71.01379	3.2
72.99302	0.6
73.02939	1.6
75.00866	1.7
83.01395	2.6
85.02955	8.5
87.00869	3.6
89.02431	0.9
95.01383	1.4
96.31139	0.6
96.96037	1.1
97.02912	0.7
99.00882	6.9
101.02428	2.0
108.02001	0.6
111.00886	3.2
112.98860	0.7
113.02440	6.7
113.43864	0.5
113.99585	22.3
114.00390	1.2
114.02699	0.6
115.00391	7.3
119.05027	1.3
127.00340	3.2
129.01965	3.8
139.00357	1.0
141.01917	0.8
157.01428	4.9
163.04004	2.2
169.01439	1.4
174.01689	20.3
174.03185	1.2
175.02443	2.0
234.27637	0.7
277.05630	22.0
278.06009	1.1
337.07751	100.0
338.08032	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	333.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12721	0.3
59.01367	0.7
65.00320	0.4
66.11424	0.3
71.01369	0.4
71.03809	0.3
71.55461	0.6
72.99290	0.7
78.64203	0.3
84.56512	0.3
95.01385	0.5
96.96012	0.9
107.01418	0.4
107.79674	0.3
111.00883	2.3
123.00880	2.3
124.01664	1.0
125.02396	0.5
127.00357	0.8
131.61766	0.3
136.98801	1.2
139.00377	2.8
140.01158	3.7
141.01900	0.4
149.99619	0.3
151.00357	1.0
154.99876	0.3
166.02718	3.0
166.99844	1.5
168.00642	6.0
181.05016	2.7
182.02219	2.9
183.02979	100.0
184.03314	5.0
184.08839	0.3
201.05978	0.3
233.63792	0.3
333.06024	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15458	0.5
59.01381	3.4
71.01386	1.4
71.54532	0.6
71.54933	0.6
72.02619	0.5
73.02941	0.6
75.19397	0.5
79.95741	9.8
82.32457	0.5
83.32516	0.6
85.02970	1.1
87.00928	0.8
89.02448	0.6
95.95242	4.6
96.96014	100.0
98.49662	0.7
101.02444	0.9
108.02146	0.6
110.97578	1.1
113.02460	1.0
149.06087	2.5
163.07724	0.7
169.01419	0.6
194.09488	59.0
195.09831	3.9
209.11838	41.6
210.12175	2.6
235.09799	1.2
253.10826	35.4
254.11188	2.5
268.10593	1.3
274.05228	2.7
289.07565	5.9
289.11826	0.9
315.05402	2.0
333.06488	65.3
334.06726	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	333.0826
Annotation	Chlorpromazine N-oxide
Peak:m/z	Relative Intensity
59.01380	9.9
69.03407	1.0
69.35845	6.9
71.01391	9.0
73.02937	1.8
78.95905	30.9
83.01376	1.3
85.02942	2.4
89.02444	7.7
91.45759	0.8
96.96954	6.2
97.02934	0.9
101.02465	8.1
107.01388	21.1
108.01700	1.0
112.03981	1.1
113.02451	1.2
115.19077	0.8
119.03475	1.4
123.00872	6.9
125.02447	59.3
126.02775	2.0
131.03444	0.9
139.00371	1.4
139.04015	1.7
140.01114	1.0
141.04579	1.4
151.00362	3.6
152.99583	24.1
155.98849	1.3
163.06087	1.7
168.00610	1.0
169.01425	100.0
169.05045	2.6
170.01746	3.9
170.05396	1.3
171.00612	2.0
171.05563	2.4
181.07188	7.0
213.02934	0.9
236.12622	0.9
241.01180	9.8
273.05185	1.0
316.04514	1.8
333.05011	7.6
333.08743	58.4
334.08813	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	335.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54678	0.3
55.01856	0.3
69.31693	1.4
69.32116	0.9
71.01362	0.4
95.01395	0.3
99.00713	0.3
111.00896	1.9
124.01643	3.0
127.00359	0.7
132.48082	0.3
133.38019	0.3
136.98811	1.3
139.00380	1.7
140.01152	2.4
168.00662	4.8
169.77890	0.3
183.02982	100.0
184.03310	4.5
236.10504	0.3
280.32565	0.3
333.85928	0.3
335.04013	0.7
336.04398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	1.5
59.01378	42.8
65.00318	3.8
67.01875	2.6
67.96138	1.3
69.27963	2.9
69.28368	10.1
71.01382	20.8
72.99288	2.7
73.02985	1.6
75.00870	2.8
78.56870	1.4
81.03452	1.8
83.01373	2.6
85.02957	7.5
86.67931	1.3
87.00854	3.7
88.59441	1.3
89.02446	21.1
89.03954	2.0
93.03468	4.4
94.06618	13.0
95.01385	10.5
96.96009	10.3
97.02950	8.7
98.00127	1.6
99.00874	2.5
101.02444	14.3
102.13399	1.4
105.03449	1.9
108.02177	1.5
108.04546	1.6
110.02479	2.9
111.00875	9.8
112.81844	1.6
113.02448	9.1
113.64052	1.3
117.03455	5.6
119.03557	10.3
119.05012	12.9
119.14356	1.7
121.02949	3.6
122.06112	2.4
123.00879	5.3
124.01624	1.4
124.04032	3.0
129.03442	1.5
133.02943	5.5
136.04039	2.5
137.02443	3.9
138.05630	12.2
139.00362	5.9
139.03990	2.3
140.01143	3.4
145.02936	12.3
149.02470	3.4
151.00339	2.9
153.01927	18.2
155.03520	4.7
157.02974	2.2
161.02435	11.8
161.04565	2.7
162.03201	3.2
163.00366	6.3
163.04002	24.9
166.99738	2.0
167.03427	1.7
168.00664	2.6
169.01489	1.9
171.03026	8.5
172.01740	1.8
173.01004	2.7
173.02425	16.5
173.04547	4.6
174.03111	2.3
175.03926	3.8
177.01962	2.7
181.01434	29.0
182.02213	3.0
182.04558	11.2
183.02983	46.9
184.03311	3.4
185.02425	3.2
189.01929	20.0
189.05687	1.5
189.11406	2.0
189.40959	1.3
190.02737	12.9
191.03548	2.5
191.05602	11.9
192.00601	1.7
193.01416	2.2
193.98558	2.0
194.99332	9.6
201.01926	18.6
201.10333	5.3
202.02533	3.3
203.03506	3.1
204.04271	1.6
205.01466	4.9
205.04982	2.7
216.99377	3.1
217.01414	38.8
217.04839	2.1
218.02162	14.3
219.02895	4.1
221.04533	3.0
222.01701	5.8
223.02551	2.7
229.01410	20.5
230.01770	2.1
231.03099	3.8
233.04581	10.8
235.02458	4.6
245.00893	43.8
245.09267	2.9
246.01659	16.2
248.03363	3.4
249.04015	13.7
259.02426	4.7
261.03995	24.2
262.04630	1.9
273.00412	71.5
274.00772	5.4
277.03510	16.6
278.03979	1.7
287.01956	5.1
289.03397	1.5
293.06738	3.2
293.11383	2.6
305.03018	75.9
306.03354	5.4
309.06317	4.2
319.04575	3.7
337.05664	100.0
337.09970	8.5
337.14874	41.8
338.05969	10.1
338.15375	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	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99404	1.0
55.01869	1.6
57.03452	5.3
59.01375	19.8
60.71881	1.1
67.01875	1.9
68.99792	1.4
69.52137	8.3
71.01375	5.2
73.02942	1.6
75.00884	1.1
80.96500	1.3
81.03436	2.2
83.01395	5.2
85.02946	29.7
85.06565	2.6
87.00880	3.0
87.04533	1.2
88.04029	1.8
89.02442	3.3
93.03450	3.8
95.01431	1.5
96.96027	2.9
97.02950	2.0
98.20610	2.2
99.00881	1.4
101.02457	2.4
107.04999	1.8
109.02929	5.3
109.89482	1.2
111.00882	13.5
111.04504	2.8
113.02442	2.1
119.05019	52.8
120.05359	2.1
121.02972	1.8
123.00852	1.1
125.02432	7.1
129.01944	10.9
131.07138	4.1
137.02486	7.2
139.00410	2.2
139.04015	1.5
141.01933	2.4
149.02429	1.4
151.03960	3.4
153.01929	11.7
154.99916	2.2
155.03519	2.5
163.03999	100.0
164.04372	4.7
165.01941	5.3
166.02690	2.5
167.03481	4.7
173.04530	5.9
175.04065	1.2
177.01830	2.6
177.05548	1.3
183.03012	1.4
191.01959	1.4
191.03641	2.2
191.05605	19.2
193.01431	1.6
203.07135	3.1
205.03528	7.0
205.05199	1.8
221.08217	3.4
223.04590	2.7
231.06653	1.9
233.04453	1.7
247.06383	1.2
248.53120	1.3
275.05606	2.1
293.06430	1.6
319.04483	1.9
337.05597	3.6
337.09451	2.5
337.14642	2.4
338.12363	1.4
348.03445	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1033
Annotation	Koaburaside
Peak:m/z	Relative Intensity
57.94603	0.6
59.01381	2.1
65.71729	0.6
68.09545	0.5
70.00690	2.6
71.01385	2.3
73.45214	0.5
74.56898	0.5
75.75237	0.5
83.12794	0.5
87.60576	0.5
87.94239	0.5
89.02451	0.6
97.02975	0.7
101.02432	0.6
107.01382	2.4
109.02968	0.9
110.00101	0.8
111.00881	0.8
111.10690	0.6
123.00967	1.1
124.01640	4.2
125.02445	23.6
137.02441	1.1
138.03249	2.6
139.04007	72.8
140.04373	3.0
140.91617	0.5
149.99634	4.0
151.00304	1.2
152.03523	0.5
153.01942	1.3
167.03419	1.1
168.00627	15.0
168.04204	1.4
169.01434	20.7
169.05054	100.0
170.05402	4.5
179.05693	0.5
211.02484	13.5
212.02806	0.6
241.03481	0.7
271.04584	21.0
272.04938	1.1
313.05725	0.5
331.06604	21.9
331.10349	21.1
332.06860	1.7
332.10672	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	333.0589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76892	0.7
71.01337	0.7
71.31445	0.9
73.93455	0.6
78.95900	100.0
96.96959	19.2
96.97584	1.1
112.41457	0.8
132.45171	0.6
150.98009	1.6
152.99582	68.9
153.99957	1.1
171.00652	8.1
223.00047	0.9
223.09271	0.8
230.02606	0.6
241.01180	33.1
259.02194	2.0
316.04922	0.9
333.05899	81.5
334.06137	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	333.059
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
51.95630	0.5
59.01384	0.6
60.20625	0.4
61.80227	0.5
64.38906	0.5
69.55081	3.0
71.01372	0.8
74.01360	0.5
77.18354	0.5
78.95901	100.0
96.96027	0.7
96.96960	15.9
98.19917	0.9
107.01386	0.6
109.78254	0.4
125.02449	1.8
139.05127	0.7
150.98007	1.2
152.36426	0.5
152.99580	73.6
153.99899	1.1
169.01427	3.8
171.00629	9.0
202.30141	0.5
223.00066	0.8
241.01180	36.3
242.01474	1.3
259.02194	2.2
333.05872	88.6
334.06091	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	331.0671
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03449	1.1
59.01382	6.3
69.03447	1.2
69.84067	4.2
71.01369	3.3
81.03454	1.1
83.01390	4.0
89.02426	1.8
93.03463	1.4
95.01398	1.0
97.02932	1.3
98.20657	0.9
101.02429	1.0
107.01357	5.6
109.02893	1.7
111.00848	0.9
113.02452	0.9
122.03712	4.6
123.00881	3.9
124.01656	5.0
124.04124	0.8
125.02438	40.9
126.02784	1.7
136.98767	1.0
137.02409	1.2
138.03188	2.0
139.00386	2.0
139.04004	73.2
140.01134	2.2
140.04344	2.6
149.99594	3.5
151.00342	12.8
153.01894	0.9
165.01923	0.8
167.03439	1.3
168.00626	14.6
168.04256	1.3
169.01421	43.1
169.05051	100.0
170.01828	1.7
170.05351	4.3
175.00366	1.0
179.05661	1.9
193.01382	1.6
211.02461	26.3
212.02872	1.2
227.09109	0.9
237.84264	0.7
241.03452	1.4
271.04568	39.7
272.04916	3.1
313.05670	1.4
331.06668	42.1
331.10379	23.3
332.06943	3.0
332.10800	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	331.067
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.42464	0.7
59.01386	3.2
69.03457	2.2
69.59602	1.9
69.60011	2.3
71.01385	3.3
75.00870	1.0
79.01888	0.9
81.03463	1.0
83.01392	1.9
83.45544	0.7
85.02923	1.3
87.00834	0.8
89.02464	1.3
95.01396	1.0
97.02943	2.1
98.19827	0.6
101.02448	1.6
107.01387	3.4
109.02948	0.7
109.45637	0.7
110.00100	1.5
111.00923	0.9
112.04040	1.3
113.02402	0.9
113.36407	0.6
123.00877	2.7
123.04488	0.6
124.01660	7.4
124.04037	1.1
125.02452	73.9
126.02787	3.1
131.37686	0.6
135.87627	0.7
137.02467	0.7
137.99634	0.9
138.05551	0.7
139.00388	1.2
139.04008	10.1
149.99590	8.7
151.00336	2.3
153.01936	14.2
156.05754	0.7
165.01950	0.8
167.03462	3.4
168.00648	21.9
168.04262	8.4
169.01424	100.0
169.05049	14.5
170.01743	3.5
183.02991	1.4
184.06172	5.5
211.02512	6.5
212.02757	0.8
241.03523	2.4
271.04614	9.2
313.05615	3.1
331.06720	43.9
331.10278	3.5
332.06967	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	329.0877
Annotation	32142-31-7
Peak:m/z	Relative Intensity
57.03436	0.6
59.01384	0.9
69.40646	4.1
69.41008	0.7
71.01382	0.9
81.03471	4.6
83.01370	3.2
85.02953	0.5
93.03437	0.6
95.05032	1.9
97.02931	0.6
121.02953	0.8
123.04526	39.8
124.04828	1.5
125.02432	4.3
135.04546	1.0
137.02386	1.1
149.02435	1.9
151.00359	1.1
151.04041	1.2
157.40051	0.5
163.03990	1.5
165.01839	0.5
167.03497	100.0
168.03844	4.2
175.00310	1.2
179.03494	1.7
181.05070	2.8
191.03505	23.4
192.03851	1.1
209.04555	9.7
213.25298	0.5
221.04489	2.8
246.71246	0.5
269.06693	0.6
329.08670	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
59.01368	3.8
70.94270	2.0
71.82448	0.7
75.00893	0.8
80.05103	0.7
96.95962	0.8
99.08163	6.9
125.09684	1.6
127.11317	6.0
137.09685	0.8
139.11296	7.1
145.72787	0.7
155.14381	1.1
157.12352	1.1
161.22847	0.7
163.04047	1.2
171.10262	19.3
183.13901	6.8
193.12306	1.1
209.11880	1.9
211.13385	24.2
212.13733	1.1
229.14436	12.8
230.14742	1.5
262.82254	0.9
269.17560	0.9
293.21155	1.5
311.22327	0.9
329.23309	100.0
330.23636	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	331.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81038	0.6
59.01377	23.7
60.01735	0.7
67.01881	1.0
67.12067	0.6
68.99790	1.8
71.01379	13.9
72.99311	1.2
73.02963	0.7
74.82016	0.8
79.01890	2.1
79.02882	0.8
83.01381	1.5
85.02940	3.0
87.00894	2.6
89.02444	7.8
95.01393	3.3
96.96016	1.0
97.02940	1.5
99.00858	1.7
101.02440	5.3
107.01389	9.3
110.00096	0.9
111.00879	2.4
113.02421	4.9
119.03498	2.0
122.06148	0.8
123.00879	13.0
123.04490	1.0
123.06417	1.5
124.01677	3.6
125.02444	58.7
126.02837	1.4
136.98764	0.8
137.02431	1.8
139.00371	5.6
139.04028	2.8
140.01167	2.7
140.03423	0.9
141.02013	1.0
150.05635	3.4
151.00377	10.1
151.04036	1.6
151.05946	3.4
153.01941	0.9
165.01926	1.3
167.03496	2.3
168.00633	10.4
169.01421	89.8
169.05133	2.9
170.01785	3.2
179.05672	1.0
181.01466	0.8
181.89157	0.7
183.03000	1.6
187.04581	0.9
193.01389	6.4
210.76746	0.8
211.00421	1.8
211.02455	29.2
212.02815	1.6
216.20726	0.7
223.02571	1.0
241.03540	4.0
271.04636	8.4
313.05676	1.8
313.11322	2.3
331.06720	100.0
332.07059	7.0
345.67523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01880	1.9
55.32217	1.5
57.03440	1.9
58.00593	4.8
59.01378	87.2
67.01892	2.4
71.01379	49.4
72.01739	1.5
72.99313	6.1
73.02968	1.8
81.07101	2.8
83.01376	1.9
85.02953	14.0
86.03297	1.5
87.00881	3.9
89.02441	38.3
93.03459	3.1
95.01397	6.2
96.96030	1.9
98.19850	3.1
101.02437	24.6
107.01438	1.5
108.02165	6.7
109.02979	3.5
111.00935	3.1
113.02443	19.7
119.03506	17.5
122.03794	1.8
123.00902	5.6
123.04532	21.6
125.02422	8.0
126.67818	1.6
137.02446	6.7
138.05620	6.7
140.67166	1.6
150.03275	2.1
151.00404	5.4
151.03992	2.7
152.01144	9.9
155.07138	26.3
156.07468	1.5
159.47131	1.5
161.04613	2.3
165.04094	1.5
165.05540	2.0
166.02716	6.5
167.03502	80.4
168.03879	3.6
169.01439	7.2
173.04639	3.5
179.54712	1.6
181.05038	14.0
194.02206	4.3
200.19470	1.7
209.04549	51.0
210.04999	2.3
229.00992	1.7
239.05649	6.6
269.06705	9.9
314.06738	2.1
329.08823	100.0
329.11728	3.7
329.56924	1.7
330.09134	7.6
354.04633	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.00566	0.3
57.03442	0.7
59.01367	0.8
63.39730	0.3
65.00328	0.5
68.99784	0.2
81.03461	5.5
83.01388	2.6
95.05025	1.3
97.05255	0.3
107.01380	0.8
108.02201	0.3
121.02942	0.3
122.81738	0.3
123.04525	33.3
124.04850	1.1
125.02451	5.5
139.03955	0.3
147.07918	0.3
149.02396	0.7
151.00337	1.6
153.06709	0.4
163.04074	0.5
167.03488	100.0
168.03825	4.9
191.03519	0.5
197.05670	0.3
209.04510	0.8
221.79738	0.3
229.08075	0.3
330.10880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
69.98273	0.8
69.98663	1.0
71.01377	6.6
73.02940	2.1
85.02958	2.8
87.00910	0.6
89.02438	1.1
93.03430	0.4
95.01350	0.8
97.02959	0.5
99.00872	1.0
101.02425	4.6
108.02168	1.5
109.02949	1.7
113.02435	3.7
115.77370	0.4
121.02950	2.1
122.03736	100.0
123.04604	10.8
124.04870	0.6
125.02451	1.6
135.04504	1.1
135.70651	0.4
137.02441	1.0
137.06035	1.2
138.05637	0.9
143.03491	0.6
147.04495	1.2
149.02365	0.5
150.05606	0.6
159.02960	1.8
161.04541	8.6
165.05539	5.8
167.03516	0.9
169.01424	1.9
177.05524	2.7
208.00150	0.4
285.09769	1.5
288.08481	0.4
314.30765	0.4
329.05188	0.8
329.08731	5.2
330.09189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06340	0.8
53.40416	0.9
53.55862	0.7
57.03453	2.5
59.01379	9.8
60.65593	0.9
67.01894	1.1
69.03432	1.2
70.82049	2.2
71.01384	8.1
72.99306	2.1
73.02921	1.0
75.00868	5.3
83.01356	1.8
85.02946	6.9
87.00888	1.9
89.02429	4.1
93.03529	0.9
95.01396	1.1
97.02962	1.9
99.00879	2.4
101.02445	1.8
107.01391	22.6
111.00874	4.9
113.02490	1.6
113.29002	0.9
123.00888	8.3
123.04527	13.4
124.01617	1.0
125.02445	70.5
126.02791	3.1
129.01952	8.6
136.98865	1.2
137.02463	0.9
138.05569	1.8
139.00417	4.8
140.01143	2.7
141.01903	3.0
151.00385	4.0
159.02969	3.8
165.01762	1.1
166.02704	9.3
167.03491	73.2
168.00571	1.6
168.03848	3.2
169.01419	100.0
170.01772	4.3
170.60312	1.1
174.83641	0.9
177.04024	24.0
200.66628	0.8
211.02448	3.8
267.05118	1.3
285.09531	1.3
285.63882	0.8
286.19431	0.8
315.07889	0.8
329.05081	75.8
329.08795	21.8
330.05344	6.7
330.08777	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0666
Annotation	9-Demethyl FR-901235
Peak:m/z	Relative Intensity
50.03260	0.9
56.81227	0.9
59.01376	8.2
67.50822	0.9
68.50176	1.0
71.11258	2.0
75.28556	0.9
78.73673	1.1
83.01377	1.6
90.06203	1.0
91.52708	0.9
96.43531	0.9
118.58772	0.9
135.04494	1.3
149.02419	1.0
163.03996	1.6
165.12831	4.1
166.54272	1.0
171.04539	1.1
176.38959	1.1
199.03923	4.7
215.03452	1.2
227.03484	4.4
243.03012	5.7
269.04657	1.6
269.21344	2.2
271.02472	65.0
272.02853	5.9
285.04208	1.9
298.96973	1.6
299.01965	97.3
300.02307	10.4
314.04324	100.0
315.04626	8.8
329.06674	51.6
329.10681	2.1
329.13821	0.9
329.23279	14.4
330.06979	4.1
330.23807	1.5
338.57718	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37002	1.0
52.24877	1.1
57.36607	1.0
59.01382	7.4
59.99377	1.0
61.98813	3.9
71.54201	2.1
71.54565	1.1
85.02962	1.8
96.95995	4.7
99.08178	1.2
124.78332	1.1
133.02948	1.6
151.00336	1.7
156.33682	1.3
169.01477	1.2
171.04469	1.2
183.04361	1.2
187.04053	1.3
199.03973	6.6
201.01915	2.5
215.03482	5.1
226.02637	1.1
227.03516	6.9
229.01378	1.2
242.02176	10.8
243.02960	42.9
244.03404	3.4
255.03079	2.4
257.04568	8.0
270.01669	9.4
271.02469	60.1
272.02768	6.2
285.04074	18.6
286.04630	5.4
299.01965	63.9
300.02264	6.9
313.03442	1.4
314.04337	67.6
315.04691	7.1
329.06653	100.0
329.23196	8.3
330.07001	10.5
330.23856	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0668
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
59.01381	4.4
65.00333	0.7
69.21734	4.3
69.22156	2.1
85.02884	0.6
96.95970	1.0
100.66868	0.7
107.01357	1.2
108.95833	0.5
121.02845	0.7
125.02413	3.2
149.02489	0.9
151.00357	3.5
161.02444	19.1
162.02753	0.9
163.00212	0.7
167.10689	1.0
167.14345	0.7
169.01375	1.2
177.03848	0.7
183.02930	0.9
183.04425	1.9
185.02383	4.3
187.00328	1.7
195.06648	0.8
199.04010	3.7
201.01895	0.9
203.03471	7.3
211.13319	2.3
215.03407	2.3
225.14865	1.0
227.03487	20.6
228.03900	1.8
229.01302	2.1
229.14470	1.7
243.02985	6.6
255.02809	0.8
268.03769	0.7
271.02466	53.3
272.02765	3.4
285.04065	1.9
288.10916	0.9
299.01956	98.3
300.02322	10.7
313.03397	6.2
314.04309	68.3
315.04605	7.1
329.06656	100.0
329.23260	7.6
330.06967	11.7
339.63629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
52.19036	0.6
55.15677	0.6
57.03447	2.5
59.01382	0.8
69.03449	2.4
69.23777	5.8
71.01414	0.7
83.05047	1.0
85.02956	10.1
86.63084	0.6
95.05039	1.0
97.02953	1.2
97.06599	4.8
121.02936	1.0
125.09732	2.8
127.11293	2.0
130.54414	0.5
137.09718	2.5
137.70432	0.5
155.10797	1.3
165.12791	1.1
167.14415	1.0
171.10284	21.3
172.10571	1.3
175.29947	0.6
177.12898	0.8
183.13921	4.2
185.11824	1.6
193.12349	1.1
196.89180	0.7
197.11722	0.6
203.10695	0.9
209.11853	1.9
211.13368	19.5
212.13701	1.5
221.11740	3.5
229.14441	13.6
230.14781	0.7
239.12889	2.1
264.81735	0.6
273.47849	0.6
291.19717	3.2
309.20761	1.0
327.05029	1.1
327.21759	100.0
328.22104	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	327.2904
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
52.55443	1.5
59.01382	100.0
70.99779	3.5
78.98117	1.5
100.31560	1.8
117.16457	1.8
152.44032	1.7
155.14819	1.5
164.93263	1.6
185.00766	7.3
327.18277	17.2
327.29034	66.8
328.29510	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	328.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
57.12575	1.1
59.01388	4.0
66.09640	1.0
69.37489	4.5
69.37926	4.0
72.04564	2.2
74.02471	100.0
75.02778	1.2
77.67842	1.0
85.48028	0.9
96.95994	1.9
98.20704	2.1
100.00383	0.9
108.35776	1.0
111.73674	1.2
113.47286	1.1
118.05090	2.6
119.16715	1.1
121.55824	1.0
165.12836	7.2
183.13837	7.7
194.15462	1.7
222.15028	22.9
222.18507	11.9
223.15338	2.6
223.18947	1.6
225.14857	1.4
227.12883	7.1
240.16019	6.9
251.12868	2.2
266.13986	17.4
266.17599	5.2
270.96603	1.0
284.15045	28.9
285.15335	1.5
294.58948	1.2
310.16803	1.1
328.17645	37.8
329.10791	1.2
329.17975	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	329.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	44.3
60.01694	0.7
61.98843	3.1
61.99116	0.5
63.57309	0.6
71.00945	1.5
74.99362	0.8
87.00878	1.2
115.02561	2.6
117.00439	8.2
125.00930	1.2
126.98866	1.5
141.02713	0.4
143.02008	4.0
157.03601	1.5
159.01492	63.9
160.01581	4.4
166.22771	0.5
168.99911	3.9
170.97847	10.1
171.01469	0.7
171.98036	1.1
186.86479	1.5
187.00974	100.0
188.00967	9.2
190.97275	0.7
198.99535	0.8
201.00642	0.9
201.02538	14.2
202.02629	1.8
217.00511	0.6
232.98264	1.8
241.00537	1.5
252.61209	0.5
274.99384	4.1
287.01083	1.5
311.01031	1.1
328.96936	1.2
329.02069	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	327.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.5
59.01381	100.0
59.03852	0.7
60.01719	0.9
65.74979	0.6
69.03458	0.9
71.01393	3.2
71.53613	0.9
72.99326	0.9
83.01382	0.7
85.02953	4.1
87.00901	1.3
93.03514	1.0
96.96011	1.9
101.01549	0.7
101.02402	0.8
111.00877	1.6
113.02423	1.0
115.00409	1.3
121.02962	9.0
123.00925	1.1
125.02454	4.8
129.01973	1.8
132.04568	0.9
139.00401	1.0
163.04042	1.0
165.05556	1.1
169.01456	4.4
180.06755	2.7
223.13365	5.1
224.95850	0.8
271.04626	1.7
283.10791	1.0
285.13855	1.0
295.04852	0.9
312.10138	1.6
327.05606	1.0
327.09192	3.1
327.12524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.0
57.03448	17.1
59.01383	7.9
69.43200	6.2
69.43624	3.5
71.01385	8.8
72.99319	3.7
73.02944	3.2
75.00872	1.9
79.91136	1.2
83.01385	6.4
84.02178	4.4
85.02949	100.0
86.03286	2.3
87.00908	2.3
89.45969	1.2
89.96496	1.3
91.05511	1.3
96.96017	6.2
99.00874	2.8
99.04548	1.3
101.02453	3.8
104.37036	1.3
109.02932	1.3
111.00885	20.2
113.02490	1.5
113.65063	1.2
115.00403	3.2
115.03977	1.1
119.93673	1.3
121.02950	23.2
123.04504	2.0
125.02429	4.3
129.01936	35.3
146.03740	1.4
147.03012	2.6
161.04593	3.0
161.06116	1.2
166.05180	2.0
169.01459	2.7
173.85352	1.4
175.02512	1.8
191.02045	6.1
205.03520	14.9
211.02393	3.6
214.03195	1.3
271.04779	1.4
289.07254	1.7
312.09900	2.5
327.03439	3.5
327.06790	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	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99791	1.9
55.01869	4.7
57.03449	19.1
59.01371	5.1
59.96156	1.6
68.03037	1.6
69.52174	13.2
71.01381	8.0
71.62390	1.5
73.02956	2.9
75.00880	3.1
83.01392	9.3
84.02179	2.3
85.02953	100.0
98.20662	1.7
99.00884	2.9
101.02469	2.7
111.00876	19.9
119.05048	4.3
120.97603	1.9
121.02966	17.1
125.02425	4.8
129.01945	39.5
165.64769	1.7
169.01410	7.3
191.02010	3.2
205.03511	11.6
209.03001	2.1
233.65334	1.9
251.47813	1.6
272.11682	1.7
327.07187	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	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.0
57.03448	17.1
59.01383	7.9
69.43200	6.2
69.43624	3.5
71.01385	8.8
72.99319	3.7
73.02944	3.2
75.00872	1.9
79.91136	1.2
83.01385	6.4
84.02178	4.4
85.02949	100.0
86.03286	2.3
87.00908	2.3
89.45969	1.2
89.96496	1.3
91.05511	1.3
96.96017	6.2
99.00874	2.8
99.04548	1.3
101.02453	3.8
104.37036	1.3
109.02932	1.3
111.00885	20.2
113.02490	1.5
113.65063	1.2
115.00403	3.2
115.03977	1.1
119.93673	1.3
121.02950	23.2
123.04504	2.0
125.02429	4.3
129.01936	35.3
146.03740	1.4
147.03012	2.6
161.04593	3.0
161.06116	1.2
166.05180	2.0
169.01459	2.7
173.85352	1.4
175.02512	1.8
191.02045	6.1
205.03520	14.9
211.02393	3.6
214.03195	1.3
271.04779	1.4
289.07254	1.7
312.09900	2.5
327.03439	3.5
327.06790	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	325.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37891	0.4
56.10868	0.4
59.01383	6.4
62.96917	0.4
71.01387	4.0
71.54175	0.8
72.99316	0.7
73.02929	0.7
74.02464	0.7
75.00866	0.5
83.01386	0.5
83.33860	0.4
85.02959	1.2
87.00896	0.8
89.02447	2.3
93.03454	1.1
95.01433	0.6
96.96002	4.6
100.08405	0.5
101.02441	1.1
102.05538	0.5
107.01382	0.9
113.02444	0.7
113.99657	0.6
117.03470	21.1
118.03793	1.0
119.03432	0.8
119.05031	8.6
119.60970	0.4
120.05325	0.6
125.02442	3.3
131.71622	0.5
145.02953	100.0
146.03285	5.0
155.03452	0.6
159.04457	0.8
161.06065	1.7
163.04004	11.5
164.04346	0.6
169.01440	5.1
173.04568	1.6
176.04778	1.1
187.04012	2.9
191.07256	0.6
205.05087	1.3
211.02460	0.6
211.44763	0.5
235.06088	0.7
265.07138	1.8
325.05515	6.6
325.09402	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	325.0928
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
59.01381	7.3
69.59227	1.0
69.59636	2.7
71.01395	3.3
71.46507	0.5
74.02463	0.7
75.00896	0.6
82.40839	0.5
85.02955	1.0
87.00855	1.9
88.55185	0.6
89.02445	2.9
91.35555	0.6
93.03448	0.8
96.96017	5.4
98.19975	1.1
99.58876	0.5
101.02435	1.3
107.01371	0.7
108.67838	0.6
113.02448	1.8
113.99553	0.9
115.00402	0.9
117.03471	24.1
119.05042	6.9
125.02442	5.3
131.60497	0.6
133.06621	0.7
145.02953	100.0
146.03308	4.4
155.03517	1.1
159.04523	1.0
159.99118	0.6
161.06067	2.1
163.03989	9.0
164.04424	0.6
168.00598	0.5
169.01442	6.7
173.04550	2.0
176.04790	1.2
177.56155	0.7
187.04030	3.5
191.07152	1.5
205.05046	1.6
220.23640	0.6
234.83458	0.5
235.06082	1.1
245.09331	0.7
265.07227	1.7
325.05579	8.3
325.09402	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	325.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01690	1.2
70.71609	2.1
70.71950	1.5
71.01383	4.4
73.02943	2.7
85.02940	2.5
89.02402	1.1
93.03461	2.2
99.00808	0.9
101.02450	4.9
110.35902	1.0
111.00871	1.2
113.02475	1.9
116.95807	0.9
119.05018	2.1
125.02448	5.5
135.44336	0.8
145.01424	1.6
145.02879	1.0
161.04501	5.6
169.01433	8.8
211.02463	1.7
227.19345	1.0
265.13013	8.9
312.09888	1.0
325.05566	7.1
325.09402	1.3
325.14056	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02132	14.2
53.91125	14.5
57.03442	20.7
59.01380	100.0
60.03773	14.4
66.66577	13.9
71.01370	40.6
75.93696	17.2
97.06591	35.2
98.19824	26.2
111.08109	20.3
126.54926	15.6
151.11269	18.8
171.10222	27.3
183.01225	37.5
190.45529	18.1
197.11765	23.8
205.10577	25.6
209.11894	35.0
307.19006	17.8
325.18146	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	80.2
61.98841	34.0
71.01369	26.2
85.02930	23.1
97.06583	21.8
98.19870	54.0
100.76772	22.8
104.37404	23.2
110.89678	26.1
125.09694	23.1
151.11162	23.3
182.67429	23.4
183.01160	52.3
209.11806	36.1
229.15756	22.8
325.18433	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	325.202
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
59.01375	16.5
66.77122	2.9
69.03465	4.1
69.17931	31.0
69.18238	2.9
71.01383	8.2
71.05016	4.2
83.05035	7.2
84.02149	5.5
84.25558	2.4
85.02939	3.8
93.03452	4.0
96.96006	18.3
97.02959	2.6
97.06590	5.4
99.08147	3.5
111.08174	5.5
115.07662	4.7
125.02451	4.7
125.09737	12.5
127.07656	15.2
127.11334	4.0
135.08223	3.1
137.09708	4.1
139.07584	2.6
140.63922	2.9
140.75281	2.5
148.60771	2.8
153.09181	21.4
155.10774	5.5
167.10767	4.2
171.10252	22.7
185.11819	15.2
197.11809	20.6
201.11342	11.3
209.11819	70.2
210.12184	6.4
211.13368	5.1
213.11365	7.8
227.12900	3.4
236.10641	3.1
238.12080	6.0
245.19060	3.6
254.26514	2.9
256.13120	3.1
281.17764	2.7
289.18106	10.3
297.20563	3.6
307.19147	100.0
308.19403	14.0
325.10733	3.0
325.20258	74.7
326.20590	3.9
334.24219	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	325.2171
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01392	0.6
60.59022	0.6
71.16724	0.7
78.62387	0.5
79.95735	1.1
103.54261	0.6
111.62010	0.6
119.05013	1.3
149.09714	90.4
150.10027	4.7
163.11282	100.0
164.11613	5.3
170.00412	0.9
183.01196	39.0
184.01913	6.6
197.02788	1.6
206.15421	0.6
216.00943	1.9
325.18365	78.6
325.21783	84.0
326.18686	8.5
326.22113	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	327.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
59.01377	23.8
67.51232	0.8
70.52094	1.0
70.52451	1.4
71.01003	1.3
71.01383	25.7
72.99303	2.2
73.02938	2.0
85.02941	2.8
87.00877	37.6
89.02438	7.8
93.03453	0.8
95.01347	0.8
99.00875	4.2
101.02430	5.1
111.00839	0.8
112.98820	1.3
113.02425	3.8
115.00373	61.2
116.00731	1.4
119.03509	3.6
123.00874	1.1
123.04594	0.8
125.02439	2.7
127.00376	1.4
135.04512	3.2
137.06075	0.9
139.00395	0.8
157.01376	0.8
159.03001	1.8
161.04578	1.4
165.05542	1.6
165.07703	2.2
166.99847	0.9
168.00478	0.9
169.01457	3.3
175.02473	100.0
176.02887	3.6
177.05553	1.1
179.05632	2.2
195.06685	1.0
223.02489	0.7
267.10843	2.1
327.03607	18.3
327.07614	1.0
327.09293	1.5
327.12912	2.3
328.03748	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	26.3
70.99084	1.0
70.99409	0.7
71.01380	25.7
71.01774	1.4
72.99294	1.9
73.02953	3.5
75.00875	1.0
75.03590	0.6
83.01389	1.3
85.02960	3.6
87.00875	36.6
89.02444	8.4
95.01378	1.1
99.00890	3.6
101.02431	4.2
111.00842	0.9
112.98829	1.5
113.02454	3.9
115.00374	65.0
116.00697	1.4
119.03465	3.4
123.00873	1.2
125.02444	3.2
127.00358	2.1
135.04517	2.1
137.06052	1.6
139.00386	0.7
140.01169	1.4
159.02998	2.4
161.04578	1.7
165.05577	2.1
165.07646	1.6
166.99858	1.2
168.00633	2.4
169.01425	4.8
175.02469	100.0
176.02826	3.6
177.05603	1.6
179.05598	1.9
195.06656	0.9
223.02544	0.8
267.01492	0.8
267.10782	2.2
327.03561	18.2
327.09491	1.4
327.12823	1.7
328.03790	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.1
60.99295	0.8
67.01883	2.9
69.03445	1.5
70.46608	0.5
71.01373	3.5
71.54532	0.8
74.02481	0.6
79.01874	0.8
82.48695	0.6
87.00867	1.4
88.72526	0.5
93.03448	17.4
95.01436	0.9
96.96008	1.3
99.00838	1.1
107.01387	2.9
111.00874	1.5
111.04507	2.1
112.92027	0.5
112.98747	0.9
115.00329	0.6
119.05023	100.0
120.05345	4.0
123.00881	5.7
124.01690	1.2
124.04052	0.9
125.01050	0.8
125.02444	17.9
129.01932	1.3
136.98782	1.1
137.02419	3.3
139.00368	2.4
140.01140	1.9
141.01933	0.7
142.99857	1.2
145.01393	2.1
145.02927	2.3
146.02516	2.9
151.00385	4.4
154.99831	1.1
155.03461	1.3
162.05562	0.7
163.03999	69.7
164.04314	3.1
168.00645	3.7
169.01414	29.1
170.01682	0.9
173.00873	1.0
173.04561	2.7
206.64482	0.5
207.02907	0.5
211.02477	2.6
236.09222	0.5
263.10358	0.8
325.05615	56.7
325.09076	1.9
326.05957	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	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36984	1.8
50.40442	1.8
54.81783	1.9
59.01381	11.6
61.75818	2.2
66.71536	1.7
70.07810	9.2
71.01361	3.4
71.24637	2.0
72.26672	1.8
73.04720	1.9
80.08865	2.1
85.02943	2.8
89.02455	2.3
90.11068	1.9
91.33733	1.8
96.96014	3.2
101.02444	2.7
109.06625	2.5
111.08192	3.6
113.02454	3.9
116.96595	2.0
125.09737	5.2
142.83571	2.0
147.15164	1.8
151.11250	3.0
163.11299	4.0
165.09157	3.4
165.12836	3.8
181.12337	6.5
197.11830	36.2
209.11877	2.2
212.13910	1.7
213.14938	7.5
236.66080	2.0
239.12860	3.9
241.14345	3.6
263.20078	2.5
273.18570	8.1
291.19659	37.5
292.20102	4.6
303.20367	2.6
305.21191	5.2
308.19824	5.6
323.22235	100.0
324.22681	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	323.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07938	1.5
50.86539	1.3
56.49739	1.4
57.03454	1.6
59.01377	10.3
61.83977	1.3
71.01374	4.2
77.25105	1.6
77.40890	1.5
79.95760	3.0
85.02948	2.1
89.02434	3.5
96.96028	2.1
97.06538	2.3
98.19746	3.2
111.08221	1.4
113.02483	2.3
123.08135	2.8
125.09743	3.1
161.04604	2.5
163.11247	4.7
165.01953	1.9
165.12813	4.9
191.14352	2.1
193.12320	2.0
197.11826	6.4
220.78859	1.7
221.11909	2.1
237.14989	4.2
239.12891	3.0
273.18570	3.9
285.00229	1.7
291.19644	49.2
292.20065	4.8
305.21216	2.9
307.19241	2.0
308.19815	3.3
323.22256	100.0
324.22501	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	323.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52053	1.7
59.01381	100.0
62.57812	1.6
64.25880	2.0
71.01361	8.2
71.05019	4.1
71.45576	2.0
71.45945	3.1
73.02950	2.9
85.02946	3.5
89.02429	3.4
96.96013	7.6
101.02438	3.1
108.16698	1.9
113.02437	4.0
113.06101	2.0
128.74612	2.0
130.08716	3.6
152.18764	1.7
154.57721	1.9
161.04523	2.6
187.11270	19.4
211.59312	2.1
219.13931	11.1
243.06601	8.8
253.60426	1.8
270.12665	1.7
323.02402	3.5
323.15286	7.5
324.21744	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
57.03433	1.6
58.00595	3.4
59.01381	100.0
60.01708	1.1
69.97517	2.2
69.97935	3.7
71.01383	57.5
72.99310	5.1
73.02934	2.4
77.69823	1.2
83.01383	4.0
85.02945	10.8
85.30103	1.1
87.00881	4.3
89.02448	55.2
93.03465	1.4
95.01362	5.4
96.96015	10.6
98.19968	1.8
101.02451	31.0
103.81701	1.0
107.99400	1.0
111.04545	1.4
113.02446	19.5
119.03502	22.7
123.00913	2.1
124.74725	1.1
125.02478	6.1
126.02775	1.2
127.02895	1.4
131.03497	1.5
137.02449	1.7
139.00369	1.3
143.03502	3.9
149.04552	1.7
151.00400	1.2
160.00873	3.4
161.04539	3.9
169.01434	11.8
170.01823	1.4
171.03012	3.0
172.25464	1.1
173.04555	4.4
179.05641	4.4
191.05608	1.4
213.30717	1.1
225.25835	1.2
231.98344	1.1
243.12332	2.2
247.03566	3.1
247.53622	1.4
323.07919	3.7
323.13474	81.6
324.13776	5.0
325.68665	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2022
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
52.31179	0.8
58.02971	1.9
59.01372	4.3
62.41556	0.9
63.58762	0.8
67.94555	1.0
71.01378	1.1
74.54794	1.1
78.59162	1.0
89.02451	1.5
90.04263	0.9
91.91679	1.0
95.05063	1.0
96.96011	3.3
113.02419	1.4
125.02399	1.4
128.10818	5.4
130.08739	100.0
131.09074	3.2
186.52141	1.0
322.20233	28.3
323.15295	2.0
323.20679	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73232	0.9
57.03438	1.6
57.52843	0.9
58.00575	3.3
58.31337	1.0
59.01379	100.0
60.01717	1.1
70.54163	2.8
71.01380	47.8
72.99297	4.0
73.02935	2.5
81.03468	1.1
83.01382	2.7
85.02950	12.0
87.00878	2.4
89.02444	53.7
95.01376	4.2
96.96014	1.8
101.02447	34.2
110.24545	1.1
113.02452	19.5
119.03499	25.3
120.03882	1.3
125.02401	3.2
130.08748	3.4
130.17986	1.0
131.03506	1.7
135.19705	1.3
141.81761	1.2
143.03487	4.3
149.04527	2.4
161.04581	2.6
161.08168	1.3
169.01376	3.2
179.05586	3.6
323.13437	81.4
324.13895	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	321.2069
Annotation	Rapanone
Peak:m/z	Relative Intensity
59.01379	100.0
60.01692	0.8
71.55348	1.4
96.96011	1.0
103.04046	1.3
125.02402	2.8
137.58049	0.8
166.51141	1.0
169.01393	3.1
321.20688	51.2
322.21124	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	322.0931
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
50.35086	1.1
50.47549	1.1
53.25621	1.1
57.03436	1.8
58.00575	4.1
59.01377	100.0
60.01705	1.5
62.42983	1.3
68.99051	1.2
69.03467	1.3
69.46539	1.6
69.46941	7.6
69.86469	1.1
71.01378	53.1
72.99296	5.2
73.02948	1.3
74.95959	1.0
83.01361	2.4
85.02946	10.6
87.00899	1.9
89.02444	52.9
92.29873	1.3
95.01389	3.9
96.96008	5.8
101.02438	27.0
111.00882	1.2
113.02446	20.6
116.05062	37.0
119.03497	17.4
125.02414	5.8
126.02780	2.0
131.03517	1.7
143.03493	2.8
144.04533	2.0
149.04491	2.6
159.62097	1.1
160.04024	65.1
161.04416	4.9
167.03493	1.3
169.01393	6.4
170.01752	2.6
173.04556	1.2
179.05634	3.2
202.05087	26.0
203.05363	1.8
205.03661	2.0
206.03874	1.9
232.06067	4.4
258.06696	1.1
262.07175	37.9
263.07300	2.8
317.02817	2.4
322.09305	48.8
323.09592	2.6
340.55026	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60981	1.1
59.01379	100.0
63.20671	1.1
68.62067	1.2
71.01384	4.3
81.27508	1.2
85.02946	4.5
89.02444	4.4
96.96015	15.7
98.19837	2.3
119.03476	1.8
125.02448	2.4
147.04533	2.4
157.28491	1.4
169.01413	5.7
170.01790	2.2
173.11803	1.5
223.10721	1.2
248.53801	1.2
320.60187	3.6
321.10138	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16491	1.8
55.22289	1.6
70.69139	3.4
70.69554	3.1
71.52957	1.9
80.05057	5.2
82.06631	4.9
84.04545	15.9
86.02480	3.0
92.05059	32.1
94.02981	2.4
95.03770	3.2
95.05019	3.9
96.00912	1.9
96.04554	7.4
96.95987	7.7
97.01699	9.2
106.09138	1.6
107.03766	2.1
108.04560	3.5
110.06116	87.1
111.06438	2.1
112.04044	4.1
122.06120	77.0
123.03245	4.7
124.04024	8.0
125.02462	10.3
136.04039	57.8
137.04834	2.0
151.02733	3.6
168.26407	1.8
169.01440	11.7
181.03792	13.1
203.11880	32.2
204.12126	1.9
215.11842	11.1
239.44292	1.5
243.81734	1.6
247.10875	59.8
248.11206	3.7
259.10858	53.8
260.11169	4.3
277.11990	4.8
293.39874	1.8
303.09848	2.7
321.10883	100.0
322.11292	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.4
57.03187	1.6
57.03447	19.5
59.01394	4.9
63.14366	0.8
67.01888	1.1
71.01376	9.2
71.55491	1.1
72.99302	1.5
73.02939	2.6
75.00883	1.4
79.95731	7.8
83.01385	11.3
84.02170	2.4
85.02948	100.0
86.03301	1.8
87.00828	1.2
95.95212	5.8
96.96003	16.8
99.00925	1.8
101.02457	6.1
101.38358	0.8
111.00879	35.9
112.01227	1.6
113.02441	1.9
114.67334	0.9
115.07639	16.4
116.08005	1.6
121.33098	0.9
125.02453	5.6
129.01939	43.8
134.17274	0.9
135.04552	1.1
151.33022	1.0
161.04468	2.1
169.01418	7.1
177.01810	1.1
187.02478	2.5
205.03539	23.4
223.04634	2.9
241.14433	1.5
278.79099	1.0
311.66049	0.9
321.06317	1.7
321.09894	11.8
322.10104	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0976
Annotation	4-O-Cinnamoylquinic acid
Peak:m/z	Relative Intensity
50.85345	0.5
57.03458	0.6
59.01367	2.3
71.01383	0.7
71.52589	0.7
73.02938	0.6
81.03466	0.5
83.01336	0.5
83.05048	0.5
85.02956	2.2
93.03470	1.8
94.06617	1.3
96.96018	4.2
97.02939	0.7
103.05551	3.0
107.01385	0.7
111.04510	2.4
119.05028	1.7
123.00894	0.7
125.02446	16.3
135.04518	6.2
136.07712	1.7
137.02448	0.7
138.05602	1.9
147.04523	100.0
148.04861	5.4
151.00423	0.5
155.03476	2.6
169.01430	22.4
170.01732	1.2
173.04549	3.8
179.03465	4.7
259.14374	0.5
306.46939	0.6
313.05890	1.2
321.09918	4.6
322.05225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.5
59.01369	6.5
60.66998	1.2
69.03449	5.6
71.01378	11.7
71.36689	2.2
73.02943	16.0
83.01385	1.7
85.02950	34.8
87.00874	100.0
95.01387	5.0
96.83683	1.4
97.02953	22.7
97.25986	1.4
101.15676	1.6
103.04015	11.1
104.67276	1.3
111.00888	1.7
113.02435	7.6
115.00380	9.2
115.04034	2.6
125.02439	3.6
129.01979	1.7
130.25880	1.3
139.00359	2.7
143.97412	1.3
157.01439	8.8
169.01376	3.5
175.02460	40.2
188.19437	1.2
217.03531	15.7
266.63803	1.5
303.07391	2.7
321.08337	2.2
340.25504	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0825
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
57.03437	2.6
59.01370	6.0
69.03449	4.9
70.16831	2.0
70.17213	2.7
71.01385	11.3
72.26440	1.5
72.99302	1.7
73.02948	14.9
83.01385	3.0
85.02950	28.8
87.00876	100.0
89.04767	1.5
95.01372	4.7
96.96033	1.8
97.02951	22.9
99.00875	2.7
102.51854	1.4
103.04004	9.3
111.00877	3.4
113.02452	8.7
115.00382	12.7
115.04028	1.8
125.02448	4.7
141.01852	1.9
154.59447	1.5
157.01471	7.9
158.91704	1.6
161.02132	1.7
169.01398	2.6
175.02478	41.4
176.02814	1.8
217.03497	15.0
249.97525	1.6
270.83453	1.6
303.07040	2.6
306.01898	1.4
321.08356	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	321.025
Annotation	Digallate
Peak:m/z	Relative Intensity
51.42329	0.5
59.01380	4.4
61.56196	0.4
69.03452	1.9
71.01369	0.8
78.99043	0.4
81.03449	0.9
90.52171	0.4
96.96008	6.0
97.02974	1.3
101.02425	0.5
107.01431	0.5
118.70927	0.4
123.00900	0.5
124.01653	0.7
125.02445	60.0
126.02816	2.1
130.05051	0.4
169.01422	100.0
170.01775	3.5
182.29166	0.4
231.51010	0.5
277.11127	0.5
282.84433	0.5
321.02463	1.3
321.06595	1.0
321.10138	4.8
322.47943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1914
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
56.77263	1.2
57.03444	1.8
57.66096	1.2
58.76059	1.2
59.01390	1.8
64.86803	1.2
65.03970	1.7
66.35384	1.1
69.03445	10.2
71.05020	100.0
72.05350	2.1
72.84912	1.0
73.02959	1.5
80.02661	1.5
81.03429	7.5
83.05048	2.9
93.03457	3.2
95.01382	11.6
95.05038	4.8
96.21439	1.0
97.02944	8.5
97.06593	2.3
98.20646	3.7
106.04244	2.5
107.05027	3.4
108.02189	4.4
109.02941	6.0
109.06592	2.2
110.03723	2.4
111.04521	1.6
111.08221	1.2
119.05029	5.9
120.05843	1.1
121.02957	1.8
121.06589	12.8
122.03746	2.6
123.08170	2.4
125.09742	1.4
135.04526	1.7
135.08191	2.2
136.05292	8.9
147.04533	5.1
149.06120	2.0
161.06100	2.4
162.06799	2.6
167.03429	1.8
175.07642	2.3
175.11308	3.8
176.08389	2.8
177.12805	2.6
183.52818	1.2
189.09215	2.1
189.12865	1.7
192.13585	1.2
203.14505	1.9
215.10837	3.7
225.16574	1.6
231.13902	15.7
232.14403	1.6
235.13565	3.3
243.17570	11.1
244.17842	1.2
247.13396	7.5
259.17038	5.7
263.16513	15.8
264.16870	1.6
269.15530	3.2
275.20200	3.0
277.18085	1.4
287.16519	34.5
287.19611	2.1
288.16992	3.2
290.15298	3.4
291.19788	2.9
301.18161	4.3
304.16760	3.6
319.19186	74.3
319.22812	14.5
320.19504	9.5
320.22910	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	319.0856
Annotation	N-Acetyl Sulfamethazine
Peak:m/z	Relative Intensity
50.75442	0.8
55.09406	0.9
57.03429	1.1
59.01377	1.1
65.00324	1.0
67.01867	1.9
69.03436	2.1
71.01350	1.3
79.95731	4.6
83.01347	1.1
85.02964	1.1
90.52558	1.0
93.03434	0.9
95.95233	1.7
96.96008	100.0
98.44902	0.8
99.00872	0.9
109.12368	0.9
111.00826	1.5
123.00883	5.4
124.01674	2.1
125.02419	3.8
133.06702	0.9
139.00404	1.4
139.03986	1.4
149.02348	1.3
151.00351	4.1
151.11295	5.5
166.02745	2.3
167.03499	17.6
167.14413	2.3
168.03841	1.1
169.01390	1.9
173.04480	1.3
179.10750	2.9
183.02992	5.5
193.01282	1.3
193.12303	4.1
195.13896	31.8
196.14278	1.4
239.12869	19.8
240.13216	2.0
246.48584	0.9
275.09576	2.7
288.88901	0.9
300.99686	1.1
303.01447	1.3
307.71268	0.8
310.09186	1.1
319.04086	5.2
319.08551	85.0
319.59503	1.6
320.08804	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	319.0458
Annotation	Dihydromyricetin
Peak:m/z	Relative Intensity
57.03447	11.3
59.01377	3.0
63.02402	1.0
65.00312	2.3
69.58102	4.2
71.01375	2.0
81.03442	2.8
83.01389	5.0
85.02948	2.5
89.02480	1.1
93.03458	1.8
95.01401	2.7
95.04969	0.9
96.96012	7.0
97.02948	1.1
101.02508	0.8
103.78682	0.7
107.01362	3.2
109.02953	5.6
111.00882	0.8
111.04530	1.1
121.02950	3.6
123.00884	9.0
123.04520	1.0
124.01675	5.6
125.02447	59.8
126.02792	1.9
129.02007	1.0
137.02441	10.9
139.00394	1.1
139.04024	8.1
140.04416	0.7
145.02963	1.5
147.00854	4.9
149.02463	2.4
151.00359	12.5
152.01070	2.0
153.01970	7.4
155.03410	1.0
156.20004	0.6
159.04535	1.2
163.04024	1.4
165.01932	12.0
166.02721	6.0
167.03491	41.7
168.03844	1.3
169.01457	2.5
173.87724	0.7
174.98805	1.1
175.00359	23.3
176.00980	2.2
178.99850	11.9
181.01320	1.6
185.02472	1.0
187.04016	1.2
190.02760	1.4
191.03519	12.1
193.01411	100.0
194.01714	3.9
205.05162	1.6
206.31357	0.6
211.04050	0.7
213.05565	0.9
215.03496	8.2
229.05064	1.2
233.04538	2.6
239.03461	1.6
241.54080	0.8
257.04538	9.2
257.12903	0.9
258.04965	0.9
273.04218	0.7
275.05756	1.1
283.02515	1.5
291.05331	1.0
301.03531	6.5
317.29779	0.7
319.04602	8.8
319.08560	3.4
319.13687	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	319.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	10.5
68.99575	78.9
69.44540	4.7
69.49992	30.8
71.01378	10.2
72.99320	5.9
73.97420	5.1
81.03493	5.4
83.05031	4.9
87.00881	5.3
87.15571	4.1
94.46855	4.1
112.98571	100.0
114.05605	11.7
125.02452	8.2
150.04179	9.7
157.05090	6.1
160.04269	4.9
165.04044	7.2
165.80200	3.9
181.43573	4.5
200.53342	4.0
204.03250	5.9
282.08380	6.0
283.08734	5.7
334.67072	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	319.0455
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
51.29528	3.5
57.03443	8.1
59.01391	19.5
68.03640	3.4
69.03463	4.6
69.30190	3.8
70.89796	7.9
71.01369	8.5
80.96526	3.9
81.03448	4.4
83.01374	5.7
83.84866	3.3
85.02965	7.0
89.02429	5.2
89.22793	3.7
93.03481	9.1
95.01371	6.1
96.96001	9.1
97.02943	6.9
99.00877	15.3
109.02947	16.1
109.27382	3.9
111.00898	8.5
113.02492	5.4
114.89357	3.7
115.05551	5.7
119.05022	4.4
121.02942	10.3
123.00864	23.1
123.04506	4.8
124.01597	5.1
125.02443	75.1
127.00416	9.1
135.04541	4.5
137.02434	31.2
138.03217	6.7
139.00337	5.3
139.04002	7.9
140.07103	4.7
141.01942	44.3
143.05017	5.9
145.02954	12.2
145.06677	4.1
147.00928	4.0
147.04480	6.5
149.02441	9.3
151.00346	12.0
153.01906	36.3
159.04486	18.4
161.02386	10.0
161.06050	6.6
163.04036	5.8
164.03477	4.3
165.01933	25.1
166.02646	8.5
167.03500	43.5
167.04872	7.5
169.01350	4.6
169.06540	6.2
171.04485	4.8
173.02425	9.4
173.06075	6.0
175.00340	7.4
175.04027	5.9
177.01939	49.3
177.05498	4.9
181.01457	4.5
183.04471	14.2
185.06161	7.2
187.03978	17.7
188.04742	3.7
189.01921	11.1
189.05544	6.8
190.02649	11.2
191.03470	42.9
193.01414	46.9
203.03528	6.1
205.04955	9.0
211.04001	27.8
212.04713	4.1
213.05614	6.2
214.02721	7.1
215.03487	53.6
216.03938	4.4
217.01448	38.5
218.01947	4.8
219.02867	9.4
219.06514	4.6
221.04507	4.2
229.05035	15.0
231.02992	7.0
231.06630	5.9
233.04523	44.2
239.03517	11.8
245.04593	4.5
247.06140	4.4
251.05592	4.9
257.04550	27.2
273.04105	4.5
275.05518	18.6
301.03491	100.0
302.03714	10.1
319.04553	59.1
319.08463	5.9
319.13602	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	318.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.6
58.00597	2.9
59.01376	83.2
61.47519	1.3
63.82924	1.2
69.36417	10.7
71.01006	2.1
71.01381	38.4
72.99301	4.6
73.02954	3.0
79.06802	1.3
83.01382	2.9
85.02944	8.9
87.00857	2.0
89.02442	40.5
95.01384	3.0
95.61497	1.4
98.20675	2.4
99.00874	1.6
101.02432	27.6
112.04035	2.1
112.07697	3.0
113.02443	16.4
119.03500	16.3
124.04017	2.1
125.02419	2.3
138.05588	22.6
143.03535	3.0
154.04993	1.4
156.06651	16.1
167.03476	2.0
172.20897	1.5
179.05638	1.8
318.11911	100.0
319.12225	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	317.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45157	2.3
55.09401	1.8
60.03053	2.3
64.41548	2.0
65.00331	2.0
71.55748	2.1
83.01408	2.5
96.96015	6.1
106.06625	100.0
107.01366	3.3
107.06990	3.8
109.02961	4.7
110.02467	4.0
116.05065	3.6
122.06135	2.9
125.02434	6.8
132.04553	3.7
137.02432	9.2
138.05595	15.2
140.07193	15.0
150.05597	11.4
151.00360	10.0
152.03531	42.2
153.03842	2.3
163.00357	2.5
166.05132	15.4
167.05873	99.7
169.01476	2.3
170.09743	5.1
178.99857	3.2
184.06178	2.1
186.12889	11.6
187.13364	2.6
194.04581	4.9
201.07938	16.1
203.61934	2.2
215.09567	10.2
226.07379	5.1
230.11842	35.4
231.12193	2.4
240.09006	5.5
255.11388	45.4
256.11630	3.9
271.02338	2.8
273.12433	54.7
274.10571	10.2
299.10275	12.2
302.58209	2.7
317.02948	17.5
317.11325	54.3
318.11755	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	317.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.1
59.01375	5.1
70.13780	1.2
70.29634	2.9
70.30034	2.8
71.01386	1.7
72.15285	1.2
75.00874	1.7
77.99714	1.4
79.62903	1.3
85.02956	2.0
93.03414	1.4
96.96021	9.5
107.01379	2.7
109.02939	1.7
113.02450	2.0
121.02959	96.5
122.03278	3.0
123.00919	1.5
125.02444	2.5
128.80072	1.8
133.05840	1.6
137.02426	2.4
143.80569	1.4
151.00415	4.6
155.10764	2.0
165.01927	100.0
166.02254	4.2
169.01743	21.8
178.99817	2.7
197.35881	1.3
202.17870	1.2
256.06500	1.4
258.09143	1.4
282.07788	1.3
287.09192	2.0
317.03030	10.4
317.19693	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	317.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11942	0.7
59.01376	0.9
63.02402	7.3
65.00320	13.2
66.08072	0.7
66.50646	0.7
69.60474	5.1
71.50539	0.9
81.03462	1.8
83.01372	7.9
96.95993	2.6
107.01387	22.3
109.02951	20.6
112.80676	0.9
121.02944	9.3
123.00815	1.5
124.01685	1.9
125.02458	8.6
137.02444	46.3
138.02786	1.8
139.00468	0.9
151.00365	62.0
152.00806	2.1
153.01799	1.2
155.03542	1.8
163.00352	2.6
165.01938	15.1
168.00562	1.0
169.01456	9.1
178.99847	32.9
180.00229	1.4
183.04532	1.1
192.00600	1.6
193.01282	1.9
199.03891	0.8
217.33029	0.8
225.06714	1.8
227.03448	1.8
232.03067	2.0
240.08960	1.6
241.03546	3.2
243.02708	1.3
245.04437	1.0
255.11353	5.0
261.04059	1.0
271.02475	3.1
272.02908	1.7
273.04184	0.9
273.12457	8.0
289.03476	1.6
299.02026	1.5
317.02988	100.0
318.03357	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	317.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25800	0.5
51.89066	0.5
55.74062	0.5
57.03430	0.6
59.01375	5.6
63.02393	6.8
65.00322	12.1
69.42095	1.4
69.42506	3.1
71.01356	1.1
81.03452	1.7
83.01379	8.2
89.02450	0.7
95.01385	0.6
96.96028	1.3
99.00861	0.9
107.01393	20.3
108.01659	0.8
109.02216	1.3
109.02953	20.0
110.03289	0.6
113.02440	1.0
121.02945	1.5
123.00869	0.7
124.01662	0.8
125.02438	5.6
133.05771	1.0
137.02443	43.6
138.02791	1.7
147.04576	0.7
151.00363	61.4
152.00713	2.3
155.03532	1.2
155.10805	1.7
159.04564	0.7
161.05971	0.6
163.00342	2.6
163.11319	0.9
164.01106	1.4
165.01927	7.1
169.01472	3.4
175.03899	0.7
178.99855	33.9
180.00131	1.4
181.12289	0.7
189.05502	0.9
190.99886	0.7
191.03487	0.8
192.00690	2.7
193.01364	2.1
199.04016	1.1
199.09723	0.9
201.01805	0.8
207.10294	1.0
215.03381	0.8
227.03532	2.4
229.01398	0.6
240.54330	0.8
243.02898	1.9
245.04559	1.2
255.02925	0.8
258.09232	1.2
258.59552	0.6
267.07205	0.9
271.02460	5.4
272.02890	1.6
289.03659	0.8
299.02011	1.0
300.02719	0.7
317.03000	100.0
317.19452	1.0
318.03366	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	317.0297
Annotation	Myricetin
Peak:m/z	Relative Intensity
50.87056	0.7
53.27199	0.6
58.25684	0.7
59.01371	3.0
61.91679	0.7
63.02391	7.7
65.00323	10.6
69.28452	7.1
81.03484	1.2
83.01401	6.7
96.96074	0.8
98.19858	1.3
107.01395	19.3
109.02958	18.3
123.00895	0.8
124.01654	0.7
125.02439	5.2
137.02446	45.0
138.02771	2.0
139.00322	0.8
151.00369	56.6
152.00725	2.2
155.03584	1.1
155.68108	0.7
163.00342	2.1
164.01109	1.3
165.01913	5.5
168.00623	1.0
169.01495	3.8
177.02058	0.8
178.99850	34.1
180.00244	1.7
190.99939	1.4
192.00653	2.5
193.01413	0.9
199.13408	2.2
227.03482	1.6
240.02711	2.7
243.02792	0.9
245.04588	0.8
260.02942	1.0
261.03925	1.0
261.49783	0.7
271.02429	3.7
287.98688	0.8
289.03360	1.0
299.02087	1.4
317.03006	100.0
317.09433	5.3
317.16013	2.0
317.59598	1.1
318.03311	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	317.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32458	0.9
51.50751	0.9
59.01373	1.1
59.35578	1.0
63.02398	6.6
65.00315	11.3
69.45409	3.3
69.45823	3.7
81.03452	1.2
83.01382	7.6
96.96006	4.0
98.20621	1.3
107.01393	20.4
108.01721	1.0
109.02959	20.4
111.00924	1.1
121.02948	14.8
122.03258	1.0
123.00849	2.0
125.01664	1.0
125.02444	7.7
137.02441	43.1
151.00365	56.3
152.00740	1.6
163.00381	1.4
165.01918	23.7
168.00621	2.4
169.01454	8.3
178.99850	33.1
180.00269	1.0
180.16675	1.0
192.00597	2.9
193.01369	1.4
227.03529	2.1
237.13567	0.9
241.03444	6.8
241.53760	1.9
243.02890	1.1
245.04576	1.5
269.48257	1.0
271.02417	3.0
272.02631	1.0
273.03830	1.2
273.12558	1.9
299.02100	1.2
317.02991	100.0
318.03268	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	315.1811
Annotation	CHEBI:67324
Peak:m/z	Relative Intensity
59.01377	1.6
71.52112	1.5
71.52530	1.5
74.19572	1.1
74.32262	1.3
81.03458	31.3
83.05025	100.0
84.05378	2.1
90.43781	1.3
90.97553	1.3
95.27573	1.3
99.44205	1.1
101.06089	11.0
124.40845	1.2
127.04010	3.4
145.05077	10.6
178.42494	1.3
187.13399	40.6
188.13693	1.9
207.62123	1.2
243.03238	1.4
253.18024	2.7
271.02469	4.1
287.01920	1.9
297.17026	3.0
299.99493	2.1
300.02777	5.2
315.04953	2.2
315.18097	62.7
316.18454	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	316.021
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67201	0.2
63.02395	0.9
65.00320	1.5
70.71779	0.4
81.03479	0.3
83.01390	0.9
86.59484	0.2
88.42227	0.2
91.01891	0.7
95.01377	0.4
95.95897	0.2
96.95998	0.4
104.04766	0.2
107.01392	3.2
108.02202	0.6
109.02953	1.7
120.02187	0.3
121.02949	4.8
123.00871	0.5
124.01660	7.9
125.02457	0.6
134.23920	0.2
135.00900	1.4
136.01680	1.0
137.02444	3.1
139.00354	0.2
143.05006	0.9
143.22499	0.2
145.02959	0.4
147.00879	0.6
148.01680	1.2
151.00372	6.6
152.01186	2.2
155.05130	0.2
157.02940	0.4
158.03735	0.9
159.04492	1.1
161.02397	0.6
163.00362	2.6
164.01149	4.8
165.01933	5.3
169.01639	0.5
170.03651	0.3
171.04533	1.0
173.02344	0.6
174.03198	0.2
175.04002	1.2
177.01973	0.3
178.99857	5.3
183.04573	0.5
185.02473	1.4
186.03201	0.6
187.03963	2.0
188.04738	0.3
189.01906	0.7
190.02744	0.4
192.00679	0.7
197.02446	0.6
198.03134	0.7
199.03990	2.2
201.01926	0.6
203.03500	3.6
204.04224	1.0
213.01930	2.4
214.02708	11.2
215.03438	4.2
216.04091	0.4
217.01395	0.8
218.02017	0.3
219.03021	0.4
222.72749	0.2
226.02759	0.3
227.03520	2.7
229.01451	1.0
230.01965	0.3
231.03006	1.3
232.03688	1.0
236.03371	0.2
241.01434	1.4
242.02185	9.4
243.02933	9.9
244.03439	0.9
245.00882	0.3
258.01733	0.6
259.02448	13.9
260.02866	0.9
270.01685	9.0
271.02454	55.2
272.02792	4.2
286.01038	0.4
287.01956	34.6
288.02490	3.9
298.69016	0.2
299.02002	0.5
315.01416	0.8
316.02213	100.0
317.02728	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	315.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73428	0.8
57.03455	1.1
59.01377	19.5
71.01365	1.4
71.52134	0.8
71.55029	0.7
72.99296	2.5
75.00850	2.5
79.84706	0.9
89.02448	0.9
96.96011	1.7
100.27001	0.7
105.01931	80.0
106.02242	1.6
106.06608	2.0
110.03588	1.7
111.08162	1.8
124.01618	0.7
125.02420	0.9
133.46393	0.8
148.01669	1.2
151.00406	1.0
165.12848	27.2
166.13187	1.2
169.24570	1.0
183.13898	100.0
184.14247	5.9
209.11794	2.7
211.03928	1.7
215.03439	1.1
227.03464	4.6
227.12875	70.6
228.13142	5.3
243.02979	4.4
255.02982	10.1
256.03391	1.1
259.02454	0.9
271.02466	17.1
271.10803	2.5
272.02756	1.6
278.30856	0.9
283.02405	8.6
287.01846	2.7
299.99411	1.4
300.02719	25.4
301.03046	2.1
315.01495	4.0
315.05042	15.4
315.14517	13.9
315.18005	1.8
316.02090	3.7
316.05350	1.4
316.14853	1.4
335.71280	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1086
Annotation	Taxicatin
Peak:m/z	Relative Intensity
50.96936	0.3
59.01379	0.8
65.03964	0.5
66.28733	0.4
70.05025	1.2
83.05004	0.4
85.02943	1.0
91.04257	0.4
95.05032	0.8
109.02941	5.8
122.03710	0.8
123.04523	68.7
124.04844	2.4
125.02444	0.8
135.26840	0.4
137.02388	0.5
141.97638	0.4
153.02060	3.3
153.05569	100.0
154.05911	4.7
163.06104	1.0
167.03404	0.5
169.01399	1.7
230.90083	0.4
315.07111	3.2
315.10803	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	315.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.8
59.01382	6.6
67.01898	1.3
68.99807	1.0
69.03440	1.4
71.01391	6.5
71.53937	1.3
71.54322	1.2
72.99303	2.6
73.02933	2.1
75.00865	3.8
79.95718	1.1
81.03451	1.4
83.01385	1.3
83.04997	0.8
85.02947	9.4
87.00878	1.7
88.04026	1.1
89.02402	1.9
89.57906	0.8
93.03467	2.5
94.02968	2.3
95.01379	1.8
95.05028	1.1
96.96018	1.8
97.02954	1.5
97.06577	1.1
101.02448	7.5
107.01384	2.7
108.02171	45.3
109.02954	47.7
109.06640	0.9
110.02480	1.2
111.00854	2.2
111.04536	1.6
112.04035	2.2
113.02440	1.7
116.35666	0.9
117.05558	1.2
123.00870	6.6
123.04520	21.2
124.01652	1.2
124.04019	2.2
124.07664	1.5
125.02448	13.5
135.04529	2.0
136.04041	23.8
136.07648	1.9
136.98721	0.9
137.02469	2.1
139.00378	3.5
140.01141	2.2
141.01909	1.5
141.05574	6.3
151.00388	4.7
151.03999	1.8
152.01149	37.5
152.02390	1.8
153.01938	60.1
153.05565	33.2
153.06494	0.6
154.02264	1.1
163.06113	10.2
165.01955	1.2
167.03459	1.6
168.00597	2.2
169.01407	21.2
173.04559	4.9
177.01833	0.8
180.06599	1.1
196.11893	0.8
198.07637	0.9
211.02446	1.9
225.04053	0.8
239.01880	1.2
255.05188	1.4
279.10803	2.2
315.07211	100.0
315.14142	4.0
316.07391	7.1
316.10214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
56.88625	0.5
59.01379	1.6
70.56663	1.6
70.74122	0.6
71.01382	1.4
81.03443	1.1
85.02948	0.8
95.01456	0.7
108.02164	19.5
109.02950	100.0
110.03275	3.1
111.00851	0.8
123.00872	2.4
123.04514	2.2
123.85133	0.5
125.02427	1.6
136.03995	1.7
151.00276	0.7
151.99971	1.3
152.01149	21.3
152.02388	1.1
153.01935	76.9
153.05466	3.4
154.02258	2.5
157.93634	0.6
160.33060	0.6
169.01349	2.7
200.72272	0.6
211.02493	1.0
238.66724	0.6
244.94685	0.6
304.53796	0.6
315.07196	85.2
316.07571	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	315.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41989	0.3
63.59571	0.3
65.00407	2.0
65.51999	0.3
69.21083	3.7
71.86167	0.4
76.18366	0.3
83.01477	0.4
96.96085	0.5
98.19849	0.6
107.01497	0.9
109.03042	0.4
122.69512	0.4
124.01751	0.8
125.02516	0.9
133.03061	0.6
136.98787	1.8
148.01688	2.0
149.02444	0.8
149.99750	0.4
151.00389	3.1
163.00497	0.4
165.99155	0.3
174.03242	0.7
177.01999	0.3
185.02551	0.4
188.04825	0.7
199.04117	1.0
202.02730	0.8
203.03476	0.7
215.03578	1.3
216.04352	0.9
227.03564	1.2
228.04277	0.8
243.03062	2.0
256.03708	0.8
259.02350	0.7
271.02432	2.5
272.03256	16.6
273.03745	1.3
287.01996	1.7
299.02026	1.1
300.02740	100.0
301.03079	8.4
315.05069	51.6
316.02081	1.5
316.05392	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	315.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
71.56071	0.5
83.01389	0.6
95.01388	0.7
95.46790	0.5
107.01422	1.4
108.02173	2.0
123.01009	0.5
123.04536	0.6
124.01720	0.6
125.02442	1.8
125.52396	0.6
135.00873	0.9
148.01642	2.2
151.00365	1.6
163.00372	1.2
164.01138	1.6
165.52609	0.6
169.01428	1.0
177.01978	0.7
178.99971	0.6
183.04337	0.7
185.69769	0.6
195.81792	0.6
196.77492	0.7
199.04086	0.8
201.01979	0.6
203.03531	0.6
211.04034	1.2
215.03400	1.2
216.04266	0.9
226.02721	1.2
227.03461	3.2
243.02982	13.7
244.03456	0.8
254.02206	1.7
255.02988	27.7
256.03381	1.9
259.02344	0.8
271.02478	60.6
272.02930	5.6
287.02112	1.2
299.02002	1.6
300.02747	100.0
301.03046	8.4
315.01495	2.8
315.05038	43.2
315.07968	2.7
316.02136	1.7
316.05429	3.9
327.39749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
65.36681	0.7
65.73316	0.7
69.26311	2.6
69.26735	4.0
72.00908	13.5
74.02475	29.6
82.82949	0.8
86.02464	3.5
96.96009	1.1
104.03538	100.0
105.03843	1.4
111.08129	1.9
112.25513	0.9
123.04461	0.8
125.02418	1.0
153.05540	1.2
165.12880	9.0
175.64548	0.7
209.11858	1.3
221.77000	0.7
227.12863	2.2
228.27927	0.7
252.15770	0.9
284.15009	4.0
287.01923	1.8
296.15118	1.0
299.99100	2.4
314.16110	21.5
315.01550	5.7
315.16342	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	314.27
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
59.01373	4.4
69.29350	1.3
71.53803	1.9
75.13628	1.3
113.66901	1.0
121.02959	1.5
132.73543	1.1
136.04869	1.2
139.83119	1.1
193.01080	1.4
222.86589	1.2
226.53955	1.4
268.26471	4.0
300.02689	3.0
314.27008	100.0
315.05002	1.8
315.27774	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	313.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.04276	0.8
60.01695	1.4
61.70615	0.8
70.32700	3.4
75.00845	1.0
85.02966	1.2
87.43652	1.0
89.04285	1.0
92.91358	0.9
98.20544	1.4
121.02961	1.6
165.27043	0.9
176.57953	1.0
196.06393	0.9
223.02823	5.3
225.22112	1.5
253.21725	6.3
271.22778	47.9
272.23138	4.5
279.89124	0.9
313.01627	0.9
313.17111	1.8
313.23816	13.0
314.24240	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	314.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29888	6.4
52.56927	6.2
54.51429	5.6
61.98830	100.0
62.57529	5.2
69.28089	11.9
69.28493	48.3
69.31527	5.5
98.20604	12.0
125.02438	25.1
169.01430	38.9
177.53738	5.6
180.53282	5.8
187.03857	6.5
191.19456	5.8
194.66032	5.9
194.67888	5.9
202.37637	7.7
243.02812	9.2
251.09244	64.7
255.03137	10.3
271.02383	19.9
299.99557	6.8
300.02808	25.7
314.04013	7.9
315.01352	11.8
315.04996	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	313.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	5.3
59.96736	1.3
60.45941	1.2
61.98816	1.7
71.53589	1.6
74.99075	35.2
75.96233	2.5
85.02935	2.3
91.02210	100.0
92.02129	1.7
93.00130	15.8
121.02925	3.1
123.03187	1.2
125.25784	1.2
127.77129	1.3
134.85162	1.1
171.28477	1.2
194.76927	1.2
234.95593	1.3
297.04575	2.4
312.98221	2.0
313.23779	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	313.0928
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
55.01872	1.1
57.03442	1.4
59.01376	4.2
63.92076	0.5
70.31199	0.5
71.01385	19.0
71.54606	1.2
73.02941	4.9
83.01382	1.7
85.02950	14.0
86.03308	0.7
87.00903	0.9
89.02452	1.1
90.03281	0.5
95.01382	1.0
96.96032	3.7
99.00887	1.3
99.04509	1.1
101.02447	7.0
107.01388	1.0
107.05032	100.0
108.05345	3.7
113.02440	6.0
121.02950	2.7
125.02467	5.1
125.09681	0.7
129.02019	0.6
136.01718	0.6
151.00378	1.0
151.04012	6.0
153.05573	1.1
159.03023	1.8
161.04552	9.1
165.05463	0.6
169.01425	5.3
197.04565	2.2
302.48538	0.7
313.05649	4.4
313.09402	2.9
313.12842	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0354
Annotation	5-hydroxybowdichione
Peak:m/z	Relative Intensity
53.15285	0.4
57.03456	0.8
59.01380	0.9
59.92408	0.4
61.32233	0.3
63.02385	0.8
65.00320	4.1
71.01370	0.6
71.55513	0.3
71.55882	0.4
72.84639	0.4
73.02932	0.4
75.44382	0.4
81.03453	0.7
83.01385	4.0
85.02934	1.1
86.80099	0.4
93.42846	0.4
96.96037	0.7
105.03448	0.8
107.01373	4.7
117.03448	0.6
121.02890	0.4
123.04495	0.6
125.02441	9.5
131.01389	0.9
133.02965	2.7
147.04424	0.7
149.02388	0.7
151.00352	8.5
159.00853	1.0
159.04498	0.5
160.01631	1.1
161.02448	6.4
167.05026	0.8
169.01360	0.9
171.04451	0.6
175.03987	2.3
183.04556	0.9
185.02412	0.5
187.00334	3.9
188.00992	0.7
195.04501	1.4
198.03262	0.7
199.03983	1.9
201.05630	0.5
203.03476	0.8
205.01337	0.8
211.04028	1.1
213.05470	1.1
215.03365	0.5
217.05052	1.2
223.03993	1.3
227.03448	1.3
239.03523	1.2
241.04977	1.1
241.17769	0.4
242.02249	0.7
242.61600	0.4
243.03026	0.8
251.03442	2.0
257.04660	0.8
267.02908	2.5
285.03992	1.4
295.02475	13.1
296.02985	1.3
313.03510	100.0
314.03864	9.3
335.72830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0717
Annotation	Sylpin
Peak:m/z	Relative Intensity
61.98823	0.4
69.39208	0.5
69.39621	0.8
77.03967	0.3
85.02941	0.2
93.03431	0.3
108.02199	0.3
121.02960	100.0
122.03299	3.7
137.68633	0.2
148.90131	0.2
180.05789	1.0
180.78918	0.2
181.06610	4.5
182.06909	0.2
184.50063	0.2
225.05568	6.8
226.05960	0.4
269.08157	0.4
313.07181	13.9
313.23709	0.4
314.07516	1.5
321.47568	0.2
329.12607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0725
Annotation	Fontinalin
Peak:m/z	Relative Intensity
55.01874	3.6
56.15169	1.3
57.03444	11.4
59.01380	15.1
71.01385	24.3
72.99307	2.5
73.02946	2.3
75.00883	3.2
83.01387	5.6
84.02171	2.1
84.04561	13.1
85.02947	100.0
87.00868	1.8
88.04042	43.2
93.03468	2.0
95.01390	1.8
96.96010	17.6
98.06120	3.6
99.00874	4.5
101.02421	2.2
107.01387	15.8
107.05023	4.0
111.00886	9.3
113.02490	2.0
114.01973	17.6
115.00374	32.6
115.24564	1.8
117.46527	1.4
118.05116	1.8
121.02957	26.7
122.26466	1.6
123.00877	11.2
125.02441	32.8
129.01945	8.3
130.05132	10.5
132.03021	30.0
136.04161	1.4
137.02444	4.7
138.03244	19.2
139.00378	3.3
147.02974	12.8
150.06700	1.7
151.03993	5.9
153.04454	2.3
153.05586	25.2
158.10837	1.7
160.06151	69.7
161.06548	2.7
166.01486	1.6
167.03418	2.0
169.01410	61.1
170.01796	2.0
173.00954	3.6
180.06670	3.1
181.03683	1.8
181.05127	2.3
191.01939	13.9
193.01469	2.9
193.03726	2.3
194.04568	4.0
196.06149	24.1
197.04546	32.2
197.06241	1.4
198.04768	1.4
208.06107	2.3
211.95607	1.6
235.04770	1.8
250.07162	6.1
268.08231	5.1
294.06287	2.1
299.95847	1.6
312.07230	41.8
312.10849	3.1
313.05780	9.2
313.09317	8.3
324.93002	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.45163	1.9
57.03437	1.7
59.01385	10.0
71.53062	2.2
80.81985	1.6
82.34087	2.0
99.08157	5.3
99.96992	1.6
109.06709	1.6
113.09739	7.3
123.97021	9.6
129.09229	12.9
136.99484	1.7
139.11209	1.8
153.12759	3.0
169.12283	4.2
171.10219	1.8
181.12358	10.6
183.01231	5.2
183.13937	4.2
193.12358	2.3
197.11812	14.3
199.13426	5.1
211.13365	33.9
212.13712	2.3
217.95676	4.6
239.79436	1.9
252.82872	1.6
275.20148	2.4
282.04141	1.9
293.21201	22.3
294.21436	2.0
311.17093	10.6
311.22275	100.0
312.22458	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.41154	1.2
59.01371	6.4
69.28191	2.9
69.28597	9.5
118.84884	1.4
139.00543	1.5
165.94571	1.2
167.14362	2.2
183.01176	6.8
183.13841	2.6
184.01662	1.4
195.13930	13.2
213.14975	2.1
236.77193	1.4
237.30325	1.5
293.21030	10.1
311.17044	9.4
311.22253	100.0
312.22488	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	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.74856	2.6
55.40818	2.8
56.43217	2.6
59.01384	19.2
93.20411	2.9
109.02938	2.9
113.09731	4.2
127.23534	3.2
129.09204	4.7
153.12854	3.6
171.10287	8.2
183.01216	10.8
183.13814	4.0
184.19568	3.2
197.11798	9.1
199.13432	4.3
211.13359	16.0
211.89076	3.2
242.48355	2.8
246.53008	3.0
251.11504	3.2
293.21106	23.2
302.26926	3.5
308.14835	3.0
311.17087	20.7
311.22266	100.0
311.29492	7.5
312.22684	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	311.2227
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
57.03440	1.7
59.01377	4.3
66.60936	0.8
69.03457	1.0
70.95126	1.7
71.01366	1.0
75.62128	0.9
83.05036	1.1
97.06569	0.9
99.08157	3.1
109.86756	0.9
111.08083	1.1
113.09776	4.2
117.70142	1.0
125.09705	1.4
127.07629	1.1
127.11263	2.4
129.09209	7.0
139.11293	3.8
151.11285	1.8
155.10785	2.1
160.38043	1.0
165.12770	0.8
169.12363	2.4
171.10269	22.0
181.12317	4.4
183.01184	1.9
183.10216	1.5
183.13905	3.0
185.11839	1.5
190.93988	0.9
193.09700	0.9
193.12325	1.3
197.11809	10.8
199.13443	5.0
201.11295	4.4
211.13373	21.3
212.13794	1.5
219.60294	0.9
275.20209	2.5
293.21252	17.6
294.21469	2.4
311.16608	3.4
311.22269	100.0
312.22589	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	311.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.5
58.34991	1.0
59.01379	100.0
60.01721	1.7
63.06869	0.9
71.01390	10.6
73.02943	4.4
83.01373	1.5
83.05015	3.0
85.02949	7.3
87.00866	1.5
89.02445	4.3
93.03465	10.9
96.96008	5.5
99.00870	1.6
101.02432	10.8
111.00880	4.2
113.02459	5.1
125.02449	1.5
134.03720	1.0
134.04648	1.4
137.02437	29.2
143.03459	1.1
149.06079	1.0
150.05498	1.0
159.02965	1.1
161.04561	10.1
173.04539	3.4
191.05615	2.8
223.13423	1.4
251.11337	25.8
252.11623	1.5
311.08005	4.3
311.11765	1.8
312.07294	1.0
312.10748	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2016
Annotation	Longithorone K
Peak:m/z	Relative Intensity
50.68045	0.4
51.12688	0.4
56.55853	0.3
58.84482	0.4
59.01366	1.1
71.02331	0.8
78.76660	0.4
79.95734	1.0
98.95564	0.5
115.41396	0.4
119.05032	1.1
133.06602	2.7
149.09714	100.0
150.10043	5.2
170.00465	0.8
176.20512	0.4
183.01198	46.6
184.01939	8.3
197.02780	1.8
198.03610	0.4
216.00934	4.3
239.07393	0.9
247.20740	0.7
248.69507	0.4
311.16852	96.4
311.20212	53.7
312.17148	8.8
312.20538	6.4
312.93329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.8
59.01390	2.4
61.96579	1.0
71.53393	1.4
79.95743	10.0
80.02729	1.0
80.68265	1.1
80.96510	1.4
83.05029	4.2
93.28581	1.0
94.98018	1.0
95.05045	1.4
95.95245	2.4
96.96015	94.1
97.06586	8.4
99.00875	1.0
105.06552	0.9
111.08160	9.4
121.30976	0.9
122.97601	3.0
147.11821	1.7
151.04060	1.4
151.07619	5.4
152.08424	4.5
163.11307	3.4
165.12849	81.2
166.13196	4.0
183.13901	39.5
184.14282	2.6
197.11903	2.3
209.11880	4.6
209.15489	5.8
227.12820	1.6
265.18198	1.7
265.21768	2.0
290.50818	1.0
291.19614	4.8
292.85117	0.9
309.17447	100.0
309.20673	8.1
310.17819	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	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.6
66.68867	0.6
71.01378	1.0
71.53926	0.8
76.04895	0.5
83.05026	2.2
85.02951	1.3
93.03458	35.3
94.03797	0.9
96.96013	1.8
100.38181	0.6
111.00882	1.9
111.04519	1.4
125.02448	0.9
137.02441	100.0
138.02763	3.6
138.05545	0.6
155.03513	1.7
169.01372	0.8
173.04543	2.3
191.05620	2.1
217.44023	0.5
234.09227	0.5
251.11403	0.6
311.04642	0.6
311.07840	2.9
311.11542	1.9
312.07523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03438	8.0
59.01368	24.5
64.39834	7.1
69.15864	92.7
69.65958	8.0
95.95218	8.7
96.95997	24.1
100.65438	8.6
111.08150	28.3
151.04005	18.1
151.07628	29.5
152.08444	15.3
165.12822	10.8
171.42712	8.0
181.12305	15.8
183.01205	21.8
193.12123	8.8
197.11816	31.2
202.87518	7.9
209.02797	15.5
209.11928	18.2
209.15521	46.8
247.20464	10.6
291.19647	96.0
292.19952	9.0
309.14685	100.0
309.17429	34.2
309.20227	91.7
310.21036	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	309.2071
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
57.03443	2.9
59.01372	8.0
69.03454	1.5
71.01370	2.4
71.05000	1.7
74.27734	1.3
81.03466	3.7
83.01395	10.4
83.05027	4.7
85.64551	1.3
89.28117	1.4
95.05038	2.1
96.96012	3.6
97.02944	2.3
97.06570	4.0
98.03735	1.9
99.00886	2.2
109.02895	1.7
111.08131	3.3
123.04527	2.5
123.08163	1.9
125.06036	2.9
125.09731	9.3
127.11280	2.5
137.09767	1.4
139.11295	9.5
151.03986	3.4
151.07637	6.4
152.08369	6.5
154.17583	1.5
163.11247	7.0
165.12839	17.1
167.10757	4.9
171.10184	1.6
181.12332	5.8
183.01169	1.8
191.10631	1.9
193.15863	4.9
197.11836	4.8
209.02788	2.8
209.11809	47.1
209.15352	12.1
210.12151	3.4
211.13461	2.9
247.20615	14.5
248.20831	2.3
252.09912	1.9
260.71457	1.3
265.18033	1.8
265.21603	3.6
273.18533	4.4
281.21179	1.9
291.19647	100.0
292.19943	11.1
309.15146	16.4
309.17169	11.1
309.20459	40.7
310.15454	1.4
310.20978	3.2
319.25171	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03446	6.2
59.01376	17.7
71.01381	5.3
71.05003	3.9
79.95753	3.3
83.05024	4.8
85.06596	4.2
96.96038	12.8
99.00875	2.9
109.06575	7.0
109.65942	2.5
111.08159	19.5
113.09733	3.4
121.08933	2.4
137.09698	3.2
151.04030	8.0
151.07658	14.6
152.08429	8.5
167.10756	4.5
171.10280	3.7
177.12837	3.4
177.68529	3.2
179.10750	4.3
179.14438	3.4
181.12383	4.0
183.01237	5.0
183.13965	2.9
184.07358	3.2
195.13881	23.9
196.14252	2.8
197.11786	10.0
199.37433	3.1
209.11809	3.6
209.15506	16.6
221.15466	12.0
223.04359	4.1
223.13423	9.5
239.16577	4.5
247.20557	6.5
252.10014	4.4
263.90915	2.9
265.18063	4.3
273.18616	5.2
291.16275	5.5
291.19632	100.0
292.20050	8.6
304.28513	2.7
309.15115	26.2
309.17209	27.9
309.20721	75.8
309.67590	2.9
310.15607	3.7
310.20938	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	309.2071
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
59.01366	6.2
69.03461	2.3
96.95970	2.3
97.06565	2.3
111.08160	26.4
127.07690	2.2
151.04016	6.1
151.07652	8.6
152.08415	8.9
153.12801	3.0
169.12331	6.2
171.10272	2.0
197.11841	100.0
198.12207	5.9
199.13452	3.6
209.15527	17.5
210.07695	2.2
210.15825	2.1
211.13345	11.3
227.12959	4.0
229.22066	2.0
252.09950	4.0
263.20087	8.5
265.18042	4.2
291.19662	29.5
309.17068	28.3
309.20682	39.0
310.20999	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.8
58.00566	0.9
59.01362	3.4
61.98855	0.9
69.03440	2.5
71.01371	1.0
83.05000	1.3
93.07085	0.9
96.96015	1.5
97.06600	1.1
99.00849	1.3
109.06559	1.7
111.08155	30.8
112.08481	0.8
119.08640	2.4
125.09757	1.7
127.07642	1.4
127.69208	0.8
137.09723	4.4
151.03969	3.2
151.07619	6.2
151.11278	2.7
152.08408	4.9
153.09125	0.9
153.12814	2.5
163.11230	1.1
165.12791	1.0
167.10754	1.7
169.12338	7.2
171.10242	10.0
179.10727	1.1
181.12357	1.8
183.13853	2.1
184.07404	1.2
185.11809	3.1
193.12263	0.9
195.10242	0.9
195.13818	0.8
197.11819	100.0
198.12138	5.9
199.13373	4.4
200.13730	0.9
201.11337	0.9
208.11070	0.8
209.15434	8.4
211.13396	13.0
225.14885	2.5
227.12962	2.9
229.02396	0.9
229.19667	1.2
239.21234	0.7
240.47292	0.8
247.16905	0.8
247.20457	1.1
252.09801	1.0
262.86792	1.0
263.20081	7.6
265.18060	4.2
273.18506	2.6
276.23587	0.8
288.11768	0.8
291.16226	1.4
291.19626	27.1
292.19986	2.0
309.17044	14.2
309.20651	36.3
310.17612	1.4
310.21033	4.0
316.97565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
58.67656	1.0
59.01365	2.3
68.60938	0.9
71.00387	2.1
75.76480	1.0
83.05042	1.1
97.06604	1.9
99.00901	1.1
99.79256	1.0
113.09746	1.7
115.07648	1.8
123.04633	0.9
125.06072	1.5
125.09679	2.4
127.07581	1.0
139.11267	1.4
141.09200	2.2
151.03979	1.6
151.07648	3.8
152.08369	2.5
165.12859	2.4
171.10327	2.2
181.12358	5.1
187.87418	1.0
191.26733	1.0
193.12323	1.4
197.11861	2.2
199.09688	2.3
200.10596	2.0
201.11330	1.8
202.21115	1.0
209.15408	5.5
211.13376	3.0
247.20717	5.2
252.09923	1.0
263.20175	1.4
265.17966	1.7
265.21667	1.5
273.18478	3.1
281.21088	1.6
291.19672	38.9
292.19894	4.2
309.17139	8.3
309.20663	100.0
310.17786	1.5
310.21063	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52258	2.1
57.03438	4.1
59.01385	26.8
61.98849	2.4
69.03450	6.5
71.54199	2.8
72.99297	2.8
73.02936	2.9
73.06991	2.5
81.03445	2.7
93.03505	2.8
96.96004	6.0
109.02889	2.7
110.86629	2.9
119.08672	12.8
121.02978	2.6
125.09698	8.8
127.11297	5.9
137.09714	33.9
155.10846	4.8
165.12798	3.7
171.10272	100.0
172.10506	3.8
179.10767	6.4
181.12350	4.7
183.10239	5.4
183.13853	4.1
185.11841	20.5
195.10204	3.3
195.13853	5.0
201.11292	7.3
202.47760	2.5
209.11826	5.1
211.13391	6.3
213.11281	5.1
225.15007	11.8
273.18530	9.4
291.19641	56.1
292.20013	4.9
309.17374	6.5
309.20691	99.3
310.21011	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16354	1.1
52.04618	1.0
57.03436	1.4
59.01397	1.7
60.80156	0.9
62.93364	1.0
63.77206	1.0
69.03424	1.1
69.99610	5.3
85.02949	1.2
95.01350	2.1
97.02946	19.1
98.19901	1.5
99.00890	7.3
111.00870	1.7
111.08167	2.0
119.08640	1.8
123.00841	2.0
123.04449	1.4
125.09741	2.2
132.06198	1.2
137.09698	10.0
151.04007	22.2
151.07639	34.7
152.04305	1.5
152.08426	44.0
153.09048	1.7
162.10410	1.7
163.11232	2.6
165.12856	2.8
171.10269	18.8
184.07420	5.0
185.11804	2.8
190.10001	3.0
193.08658	4.5
195.13817	1.5
197.11713	2.3
203.10536	1.1
208.11024	4.3
209.15454	65.0
210.15829	5.0
211.13365	5.2
221.11829	1.5
223.13380	1.2
239.12910	1.6
247.16995	3.7
247.20673	3.2
252.09970	11.2
265.18076	14.2
266.18396	2.0
273.18597	3.1
274.49911	1.0
291.16129	4.8
291.19601	40.7
292.19980	4.8
307.29700	1.1
309.17020	100.0
309.20682	56.1
310.17368	9.1
310.21014	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.3
59.01371	6.9
67.87112	1.0
69.03444	2.6
69.41132	8.1
71.01376	1.9
73.02943	1.2
81.03475	1.0
83.05013	2.8
84.72849	1.1
85.02977	1.5
85.72153	0.9
95.01360	2.2
96.96020	2.3
97.02962	7.8
97.06604	1.5
99.00890	6.6
101.06106	1.7
109.06567	1.7
111.08161	24.1
115.07633	1.2
119.08683	2.0
123.04474	1.2
125.09677	1.7
127.07656	2.8
137.09698	4.7
151.02864	1.7
151.04008	22.1
151.07631	33.0
151.09451	1.5
151.11259	1.6
152.08430	32.2
153.09175	1.7
153.12762	2.4
162.10480	6.3
163.11151	2.2
165.12802	2.6
166.85562	1.0
167.07150	1.4
167.10718	1.9
169.12309	5.2
171.10246	8.2
175.07652	2.1
180.07838	1.8
181.12296	3.6
183.13902	5.5
184.07378	4.0
185.11830	2.2
190.09981	3.5
193.08670	6.2
193.12352	1.4
195.13892	1.8
197.11818	67.1
198.12181	3.5
199.13350	3.4
208.11024	7.1
209.15450	59.7
210.15819	5.0
211.13362	19.2
219.17519	4.7
227.12880	2.0
237.14975	1.9
247.16940	4.2
247.20750	2.0
252.09976	13.0
257.05505	1.3
263.20172	2.8
265.18097	14.1
266.18576	1.4
273.18594	2.8
281.17520	2.5
291.16086	3.5
291.19620	37.7
292.19894	2.8
309.17023	100.0
309.20663	50.4
310.17365	8.0
310.21030	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	309.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
69.18778	8.5
77.69676	0.9
92.35756	0.9
96.96001	1.4
150.06879	1.2
155.28784	0.8
161.13342	9.9
187.11386	0.8
199.32220	0.8
203.25998	0.9
205.12321	38.7
206.12645	2.5
223.13266	1.8
249.11259	2.3
309.20618	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1709
Annotation	Neobritannilactone A
Peak:m/z	Relative Intensity
51.07850	1.1
54.27600	0.9
59.01378	4.1
69.03452	3.1
70.44485	3.3
72.70852	1.0
83.05029	2.3
85.02940	1.7
85.58014	0.9
95.01373	1.4
97.02957	18.4
97.05794	1.1
97.06558	1.3
99.00865	6.4
109.06577	2.1
111.00906	1.3
111.08173	9.6
115.74288	1.2
119.08636	1.2
123.00859	1.5
125.09733	2.0
127.07690	1.2
131.64273	1.2
137.09706	7.7
139.11183	1.2
146.64690	1.0
151.04010	21.7
151.07651	35.6
151.11244	1.2
152.08432	36.1
153.09024	1.9
162.10530	4.8
163.11208	1.1
165.12851	1.6
167.07083	1.0
167.10788	1.4
169.12244	1.4
171.10271	12.6
179.10684	0.9
180.07982	2.5
182.57549	1.1
183.13860	2.8
184.07399	3.7
185.11768	1.8
190.09995	4.5
193.08659	4.4
193.12334	1.5
195.13893	1.3
197.11829	20.4
198.91701	0.9
208.11006	5.7
209.15462	60.7
210.15794	3.9
211.13399	11.4
219.17535	2.8
221.11841	1.8
222.63023	0.9
237.14867	1.5
239.12909	1.5
247.16975	3.8
247.20717	1.9
252.10094	8.7
265.18121	12.6
265.21036	1.9
266.18335	1.7
273.18646	2.1
281.17596	2.9
291.16092	5.5
291.19589	36.7
292.20044	3.4
309.17041	100.0
309.20703	48.2
310.17392	6.7
310.21149	3.2
331.97220	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01712	1.2
65.87370	0.8
69.19757	6.7
69.20167	1.7
71.06900	0.8
81.07099	1.5
84.53954	0.8
93.07076	0.9
98.19825	2.0
105.07088	1.3
106.43919	1.0
112.82474	0.8
150.06900	1.2
158.28815	1.0
161.13329	14.0
165.87268	0.8
200.54442	0.8
205.12309	49.5
206.12630	3.9
249.11290	2.9
250.11725	0.8
309.13321	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.17243	1.3
66.12593	0.9
75.99385	1.3
76.71754	1.0
81.07107	1.5
93.07051	1.9
105.07058	1.6
121.56870	1.0
161.13377	17.1
170.00014	0.9
170.18155	1.2
205.12343	51.6
205.14325	2.5
206.12688	3.8
229.93874	1.1
249.11278	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	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
53.98784	1.0
55.59539	1.2
55.94285	1.5
59.01381	94.4
68.31152	1.2
71.00696	2.2
71.01380	37.8
72.99300	3.3
73.02943	3.8
75.00864	4.9
79.97775	1.1
83.01383	3.6
83.54352	1.1
85.00636	1.1
85.02951	15.5
85.06613	1.6
86.62790	1.0
87.00857	3.1
89.02445	29.6
95.01400	2.5
96.96006	2.7
99.00876	1.4
101.02444	27.8
113.02458	15.7
117.05586	1.8
119.03518	17.3
129.05606	5.3
131.03439	1.6
143.03548	2.4
144.10680	1.1
148.26315	1.0
159.02959	2.5
159.06615	1.3
161.04559	8.8
179.05576	1.8
226.00754	1.3
237.06052	3.0
249.09756	3.0
262.90536	1.3
309.11902	100.0
310.08990	1.6
310.12106	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1188
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01867	2.5
57.03439	3.0
57.22812	1.0
58.00583	4.1
59.01380	100.0
61.29241	1.0
63.75528	0.9
65.41835	0.9
70.22366	3.1
70.22734	1.9
71.01381	50.4
71.05013	1.3
72.99313	4.6
73.02945	3.1
75.00877	2.4
83.01379	3.2
85.02951	18.2
85.06621	1.2
87.00887	3.1
89.02446	49.5
95.01387	4.4
96.96003	3.1
98.95587	1.6
99.04511	2.3
101.02449	33.5
102.63716	1.4
107.91970	0.9
113.02449	18.1
114.05608	4.5
115.05941	2.1
115.68044	1.1
115.73219	1.1
117.01964	1.8
117.05573	1.7
119.03503	26.5
129.01891	1.8
129.05559	2.4
131.03520	1.3
137.94522	1.1
139.76524	1.1
143.03529	2.9
147.06639	8.8
149.04616	1.5
161.04553	5.8
169.01437	2.1
179.05559	2.6
191.01953	4.3
202.76561	1.0
309.11896	99.6
310.12256	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	307.2281
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01357	0.5
59.16899	0.4
64.83975	0.3
71.52338	0.5
72.34183	0.4
96.96027	2.9
148.63254	0.4
154.46684	0.5
162.08891	0.4
190.72862	0.5
257.97516	0.4
270.63217	0.4
307.22766	100.0
308.19788	0.4
308.23111	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	308.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.2
58.00590	5.1
59.01377	100.0
63.52261	2.5
69.35964	16.2
71.01385	49.5
72.99323	4.1
73.02940	3.3
78.95916	2.7
80.96489	2.3
83.01378	4.5
85.02949	23.8
87.00884	4.4
89.02448	55.3
95.01395	2.2
96.96024	12.8
99.00843	2.6
101.02444	34.4
109.02879	2.3
113.02448	19.5
114.05608	95.2
119.03500	24.6
125.02462	4.1
126.02878	2.5
127.02891	3.3
128.03291	3.4
128.07198	5.4
129.05537	3.7
131.03511	2.1
137.19901	2.1
137.21123	2.3
142.69661	2.0
143.03496	2.6
147.03056	3.3
147.06612	8.4
160.06123	4.4
161.04497	4.8
179.05608	2.7
191.01955	4.8
208.80052	2.4
223.15303	2.4
308.07565	6.4
309.08566	3.2
309.11880	97.7
327.49365	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.0
59.01383	7.2
62.77906	0.9
69.03443	1.9
69.89291	4.5
71.01369	2.3
73.02937	1.4
80.02663	1.4
81.03448	5.4
83.01376	3.5
83.05029	2.3
85.02954	1.9
89.02438	1.1
93.03411	1.0
95.01405	1.2
95.05022	4.1
96.96008	3.2
97.02950	5.7
97.06596	10.5
99.00908	1.0
101.02441	2.1
109.02959	1.2
109.06610	1.4
110.03749	1.3
113.06127	1.0
116.18801	1.1
119.08634	1.8
121.06587	2.5
121.23371	1.2
123.04543	7.5
123.08150	3.3
125.06078	1.3
125.09737	12.4
135.08163	2.2
137.06093	1.4
137.09723	10.5
139.11284	1.0
141.12851	4.3
142.02626	1.3
149.06044	2.5
151.11307	1.7
161.04594	2.7
162.10495	1.1
163.07573	1.4
163.11293	12.0
164.08382	1.3
165.09230	1.5
165.12816	2.3
167.10703	1.1
171.10219	1.8
177.12888	1.2
179.03429	1.1
179.10788	2.6
181.12352	2.0
185.11823	18.4
191.14400	15.4
192.14827	1.0
207.10251	9.5
209.11832	14.4
211.13412	2.0
217.15906	1.4
225.11301	7.1
226.12180	1.3
237.11240	2.9
245.19077	33.0
245.21585	1.7
246.19365	4.5
247.16949	1.1
263.20087	2.2
271.17056	4.6
289.18079	100.0
290.18411	10.6
307.10562	5.1
307.19135	86.6
308.19476	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70691	1.4
57.03442	3.1
59.01392	12.9
64.71204	1.9
69.03437	1.6
71.01376	8.0
71.07391	2.4
71.07722	2.6
83.05036	2.2
85.02934	2.2
95.05009	1.4
96.62826	1.9
96.96003	6.3
97.02949	2.4
97.06589	14.7
101.02450	3.2
107.08692	1.6
109.06576	3.4
111.08134	3.6
113.02512	1.6
123.08159	1.7
125.09724	3.7
127.11327	2.2
135.04526	1.6
135.08104	2.1
137.02454	2.4
137.06078	2.0
137.09698	2.8
145.02986	2.4
149.09729	3.1
151.11255	8.9
153.09254	1.6
153.12953	2.0
155.10771	10.3
161.04556	3.9
163.11295	3.7
165.12817	4.4
166.09941	1.9
167.10760	3.6
177.09256	1.7
177.12854	2.5
179.03491	2.4
179.10678	4.1
181.12294	8.8
182.80432	1.6
191.10838	3.1
191.14381	4.9
195.10216	2.1
197.11842	3.3
205.12280	2.4
209.11810	11.6
211.13490	3.6
224.10536	1.6
226.12033	2.6
235.20824	1.7
239.09306	3.0
245.19089	31.9
246.19409	2.5
263.20245	7.9
263.22653	1.6
271.17209	2.0
279.19681	4.5
289.18097	44.2
290.18402	2.4
307.10324	3.5
307.19150	100.0
308.19376	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46582	2.3
57.03444	5.8
59.01375	10.8
59.82191	2.1
60.02790	2.1
71.01363	4.6
73.02905	2.0
75.32343	2.1
80.02705	3.3
81.03462	5.6
81.12467	2.1
83.01366	4.9
83.05029	3.0
95.05022	5.1
97.02932	5.6
97.06582	13.4
98.20687	4.9
106.04243	1.9
109.02900	2.6
111.08147	2.4
123.04500	8.2
123.08163	5.6
125.06133	2.2
125.09746	14.8
127.11278	2.1
135.08133	4.3
137.06113	2.6
137.09769	9.9
141.12807	3.4
151.11290	4.6
161.04628	2.4
161.62865	2.1
163.07602	3.8
163.11310	17.6
165.09193	2.7
165.12889	4.3
179.10808	3.6
181.12331	5.7
184.10703	2.3
185.11850	21.9
191.14401	19.2
197.11963	2.1
203.14357	2.7
207.10243	6.0
209.11795	26.8
210.12141	2.5
217.16103	2.2
225.11267	11.0
243.46675	2.0
245.19092	50.1
246.19518	2.1
263.20114	5.1
271.17032	6.6
283.74780	2.1
289.18076	100.0
290.18436	11.4
307.19141	80.8
308.19458	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83751	1.2
59.01372	7.2
63.63520	1.3
68.99837	1.3
69.03428	2.0
70.09754	6.5
71.01373	3.0
71.05043	2.5
73.02952	2.3
81.03446	2.2
85.02953	1.9
95.04963	1.8
96.96000	5.8
97.02905	2.2
98.20576	1.6
100.50269	1.3
109.06586	6.2
111.04485	2.2
123.04527	4.2
125.09712	5.1
135.43430	1.5
137.09685	5.2
145.06531	2.1
149.19281	1.6
161.04526	3.3
163.11252	4.5
164.44200	1.3
181.12285	2.2
184.21834	1.3
185.11836	10.2
191.14407	7.9
195.33269	1.5
207.10204	5.2
217.15750	1.6
225.11263	4.9
238.19427	1.3
241.46967	1.2
245.19089	21.9
246.19458	1.5
258.17358	1.6
263.19989	1.7
271.16907	3.0
289.18085	100.0
290.18381	8.9
307.10458	3.0
307.19128	36.7
308.19415	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
52.96252	3.2
53.60323	2.5
57.03447	11.1
59.01373	15.5
59.53026	2.6
61.31320	2.9
69.03436	3.1
69.33783	25.2
71.01375	17.2
73.59261	2.7
83.05020	5.3
85.02946	4.7
89.02471	3.3
93.03438	2.6
95.05035	6.3
96.96009	5.6
97.02927	3.9
97.06563	16.0
101.02451	3.7
109.06608	6.6
109.11823	2.7
111.08163	11.2
119.03590	3.1
123.04546	3.4
123.08179	5.8
125.09727	7.7
127.11254	3.0
134.90799	3.3
145.02971	3.5
149.09741	5.1
151.11276	19.4
152.78087	2.6
153.09193	5.7
155.10851	16.1
161.04553	8.1
163.11263	6.7
165.12830	21.1
165.30878	2.7
167.10818	5.1
169.12358	3.8
177.12895	5.7
179.03452	4.0
179.10773	11.0
181.12300	25.5
191.10728	8.7
191.14423	13.2
209.11835	40.4
211.13405	7.9
224.10526	3.8
239.09158	4.8
245.19116	43.4
263.20145	12.0
271.17148	4.0
279.19635	4.6
289.18082	57.5
290.18585	3.9
307.10422	6.6
307.15707	5.3
307.19159	100.0
308.19608	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	13.0
59.01384	16.8
62.65101	2.3
69.03460	4.3
71.01391	16.5
71.42598	2.0
73.02935	4.5
78.33546	2.1
80.02688	2.6
81.03460	3.0
83.05029	9.9
85.02940	3.6
89.02453	4.1
93.25606	2.5
95.01381	2.4
95.05056	2.7
96.96002	7.7
97.06586	26.5
98.19924	5.8
101.02481	3.1
108.02176	2.8
109.06590	7.4
111.08152	11.9
121.05047	2.3
121.06584	2.5
123.04597	3.6
125.09758	10.6
133.10271	3.0
135.08119	2.9
137.02388	3.0
137.09705	3.3
149.09737	4.7
151.07634	2.7
151.11281	26.6
153.09268	5.6
153.12901	5.5
155.10760	15.0
161.04645	5.1
163.11261	6.5
165.12859	36.9
167.10770	6.5
169.12282	5.1
171.10246	3.6
177.12766	4.2
179.10846	11.7
181.12364	36.5
185.11801	5.6
191.10725	14.3
191.14415	7.5
194.13075	2.5
195.10266	4.4
197.11806	4.8
205.12331	6.0
209.11829	67.8
210.12265	3.0
211.13446	11.7
235.20320	2.8
239.09212	4.1
245.19122	50.7
246.19389	4.5
257.98407	2.3
261.18610	4.6
263.20096	11.8
271.17044	2.8
279.19681	5.6
289.15057	4.7
289.18109	55.7
290.18411	6.3
307.10458	5.3
307.15912	4.3
307.19131	100.0
308.19238	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75921	2.4
52.26615	2.6
57.03445	4.6
59.01377	12.4
62.74356	2.9
69.03471	4.8
71.01382	10.5
71.03632	8.4
73.02967	2.9
73.27039	2.7
79.67738	2.6
79.95728	8.6
80.02691	4.1
81.03450	8.9
83.01378	7.4
83.05003	3.4
85.02966	4.8
95.05032	6.5
97.02937	7.1
97.06584	12.0
101.02436	3.8
108.02159	2.6
123.04499	9.5
123.08163	4.4
125.09695	13.0
137.09720	10.9
141.12857	4.9
151.11279	5.6
154.00670	3.7
161.04518	8.7
163.11296	16.9
165.12814	6.6
176.05618	2.9
181.12398	7.2
181.88933	2.9
185.11835	21.2
191.10782	5.3
191.14359	17.2
207.10214	9.2
209.11816	38.0
225.11287	11.6
245.19112	50.7
246.19435	3.5
249.15250	2.8
271.17041	4.4
289.18088	100.0
290.18414	7.2
307.10464	4.1
307.13538	4.2
307.19159	61.2
308.19168	14.9
310.00146	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	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.8
59.96712	0.5
60.96048	0.4
69.46261	2.8
70.28583	0.4
70.42044	0.4
71.01373	0.5
74.72433	0.5
74.99073	7.1
84.25095	0.5
91.02211	2.6
93.00122	1.9
98.20577	0.9
105.86091	0.5
125.50366	0.4
125.78505	0.5
149.00992	3.0
159.08464	7.0
161.04526	0.5
161.06410	1.6
192.98122	1.2
206.99658	1.4
209.01228	3.0
217.07271	0.8
223.02826	47.0
224.02849	4.5
241.03833	0.7
270.77350	0.5
289.07544	2.4
289.18149	1.0
291.09091	100.0
292.09198	12.5
307.12503	2.1
307.19208	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.0
60.08628	0.3
69.85548	0.4
71.01372	0.7
71.44170	0.6
74.75368	0.5
74.99072	6.6
90.55866	0.4
91.02235	1.9
93.00146	1.8
107.27596	0.4
121.90713	0.4
143.05376	0.6
149.00960	3.1
150.14319	0.4
159.08459	6.7
161.04584	0.7
161.06389	1.4
189.88051	0.4
192.98099	0.5
206.99734	1.3
209.01292	2.7
217.07112	0.8
223.02831	52.0
224.02855	4.2
241.03802	0.5
267.30856	0.4
275.06030	0.4
289.07623	1.9
289.18149	0.9
291.09097	100.0
292.09198	11.0
307.12527	2.5
307.19174	1.1
309.09937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.8
57.03448	16.9
58.02980	0.8
59.01380	10.6
60.35457	0.8
67.01881	1.3
68.99809	1.1
69.47516	6.3
71.01375	9.7
72.99316	2.6
73.02942	1.8
74.02470	1.0
75.00857	1.8
79.77460	0.8
83.01391	9.1
84.02164	1.6
85.02952	100.0
86.03271	1.2
89.02438	1.8
93.03484	1.0
96.96008	28.9
98.95585	1.9
99.00848	1.4
99.05553	0.9
101.02454	5.2
101.06081	12.9
110.81879	0.9
111.00159	1.8
111.00886	27.6
113.02397	1.2
115.07625	1.3
119.03508	1.1
123.00888	1.2
125.02435	4.3
125.93256	1.0
128.03487	3.1
129.01944	33.6
129.03899	1.2
136.43730	0.9
137.02438	1.0
143.04607	2.2
144.04951	2.1
144.47118	1.0
147.02969	2.3
160.00708	1.2
160.14694	0.9
161.00938	1.0
161.04573	2.2
169.01364	3.8
173.00937	1.0
173.04530	0.9
187.02477	1.1
191.01923	5.9
205.03539	14.0
211.09100	0.9
223.04558	2.4
255.07951	1.9
273.09140	1.6
289.26691	1.0
307.07510	9.4
307.13684	1.6
307.57654	1.8
308.07916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0856
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
57.03448	2.0
58.00590	0.4
58.58896	0.4
59.01381	1.6
66.38932	0.4
69.44951	2.8
69.45345	0.9
71.01384	0.5
79.95743	1.3
83.01397	1.2
85.02952	9.5
91.22548	0.4
96.96010	100.0
97.95944	1.0
101.02450	0.8
101.06098	1.9
111.00861	2.9
118.30331	0.4
125.02425	0.5
129.01933	3.6
147.02797	0.3
155.85120	0.4
161.04530	0.5
169.01372	0.9
180.94604	0.4
205.03442	1.1
242.98636	0.4
255.14769	0.4
301.65378	0.4
307.04977	0.8
307.08511	18.0
307.13718	0.7
308.08939	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0855
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
55.01849	0.5
55.68548	0.4
57.03443	1.8
57.79664	0.5
59.01381	21.7
67.62791	0.5
69.27473	4.8
71.01360	0.8
79.95744	1.4
85.02952	9.8
96.96011	100.0
123.08154	0.5
125.02467	1.5
126.02763	0.8
127.24181	0.5
129.01958	1.0
137.02434	0.6
147.03014	0.7
157.47635	0.5
165.12842	1.0
167.10728	1.2
169.01379	0.8
171.02982	0.6
176.52121	0.4
191.02045	2.6
227.12880	20.1
228.13193	1.2
270.39136	0.5
288.10782	0.5
307.08578	67.7
308.08896	5.3
323.34106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1756
Annotation	Corrin
Peak:m/z	Relative Intensity
50.33798	2.9
53.89835	3.2
55.73595	2.5
59.01360	5.7
61.98825	10.3
66.07816	2.6
68.43681	3.4
71.05011	43.3
71.53010	4.0
81.03489	5.1
81.47971	2.9
93.03454	5.3
95.01408	3.5
95.04996	20.3
96.99350	3.0
97.06588	3.3
101.16602	2.7
109.02928	9.3
109.06604	17.1
121.02969	4.1
121.06589	7.8
122.03722	3.1
125.02423	25.2
125.36959	2.6
137.02403	9.7
139.04007	7.5
147.04509	3.2
147.08215	3.5
165.01869	5.4
165.09187	15.0
167.03477	6.9
168.13974	4.7
169.14264	5.3
175.35535	2.8
179.03491	5.3
189.12845	16.0
205.15974	10.1
219.06638	5.6
233.11867	8.2
243.17548	12.4
249.14931	11.1
261.18744	3.3
269.15707	3.6
287.16525	81.1
288.16846	9.4
305.06778	9.1
305.17578	100.0
305.20853	3.9
306.07123	3.8
306.17880	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	306.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
61.98827	100.0
62.98547	0.7
63.99251	1.4
65.13234	0.4
69.41174	0.4
69.45815	3.1
71.46606	0.4
78.39298	0.5
91.26053	0.4
93.34459	0.4
94.73196	0.4
96.96014	1.0
97.64223	0.4
98.20622	0.8
134.96095	1.2
136.05388	0.4
136.94019	3.1
148.14510	0.4
155.27516	0.4
161.98958	1.6
162.99120	2.3
163.98682	2.7
164.96382	46.0
165.92355	0.7
165.96439	2.0
172.55887	0.5
176.98184	1.0
178.95110	3.8
204.00133	0.4
205.00241	0.5
205.99844	0.7
206.97429	17.1
207.97537	1.1
222.00441	0.5
241.40468	0.5
278.95117	0.5
306.97385	11.2
307.00098	1.7
307.94382	0.5
307.97693	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	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03436	1.9
59.01371	4.4
61.98755	0.6
70.04871	2.8
71.01379	1.1
71.05019	35.5
80.02650	0.8
81.03454	2.8
83.05025	1.1
84.49943	0.7
93.03432	2.6
95.05028	17.3
96.05296	0.7
97.02941	0.9
97.06581	1.4
99.11905	0.7
106.04234	2.8
106.19342	0.7
107.05021	2.0
109.02952	2.2
109.06590	14.4
111.04488	1.8
119.04948	1.2
119.12276	0.7
120.05800	0.9
121.06601	5.3
122.03705	1.6
123.00873	0.6
123.04512	0.9
123.08185	1.0
125.02452	4.4
125.06041	0.7
127.07648	2.8
132.05757	0.7
133.10249	0.9
135.04520	1.0
135.08156	4.7
136.05237	1.0
137.02477	0.6
139.03966	0.6
139.07625	1.5
147.04585	3.0
147.08159	2.9
149.06047	0.9
149.09689	1.4
150.06822	2.1
151.07646	0.9
153.09131	0.8
160.08850	0.6
161.06068	3.3
161.09770	0.9
164.08363	1.5
165.01865	1.1
165.09195	11.2
167.03441	1.1
173.09744	0.7
175.07581	1.1
175.11069	0.6
179.03508	1.0
179.14412	0.8
182.70425	0.8
185.11823	1.7
187.11298	0.7
189.09167	0.6
189.12857	14.9
190.13060	0.7
205.15982	9.6
215.10701	0.8
223.13411	0.9
231.13812	2.9
233.11838	8.2
243.17532	9.6
244.17932	0.9
245.15324	0.8
247.13316	0.9
249.14961	11.6
250.14857	0.6
261.18594	3.5
263.16495	1.8
269.15292	3.0
287.16519	78.5
288.16913	8.1
305.06729	1.8
305.17566	100.0
306.17923	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	305.0665
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
57.03445	8.0
59.01381	1.1
60.35214	0.4
65.03976	0.6
67.01922	0.4
69.03462	1.8
81.03457	4.8
83.01383	4.2
83.05049	0.7
93.03467	2.1
95.01384	3.0
95.05029	3.5
96.96019	1.7
97.02952	5.0
99.04523	0.5
107.05099	1.0
108.02155	0.7
109.02958	15.3
111.04519	4.6
113.06136	0.8
117.03455	0.4
117.34113	0.4
119.05015	0.7
121.02952	3.6
121.82977	0.4
123.00884	7.6
123.04504	2.0
124.01667	5.4
125.02445	100.0
126.02790	2.6
131.04982	0.7
133.02966	0.7
133.06606	0.8
134.03790	0.5
135.04514	2.5
136.27852	0.4
137.02441	30.7
138.03271	2.2
138.05659	0.7
139.04012	24.0
140.04337	0.7
145.06572	0.5
147.04556	0.9
149.02449	1.6
149.06053	3.0
151.03978	2.7
153.01924	0.9
155.03549	0.6
158.03810	0.5
159.04512	1.8
160.05167	0.8
161.02487	3.1
162.03207	1.1
163.99884	0.6
164.01157	7.3
164.04239	0.4
165.01923	22.9
166.02649	1.3
167.03493	23.7
168.03853	1.2
169.01360	0.5
173.06085	1.4
175.04036	4.3
175.07619	1.1
176.04736	0.9
177.01917	1.9
177.05544	5.8
178.02734	1.3
179.03499	22.6
180.03899	0.9
181.05032	0.9
189.01917	0.4
189.05605	0.8
191.03496	1.2
191.07059	2.8
193.05005	0.7
199.07658	0.6
200.04796	0.5
201.05551	2.1
201.17049	0.4
203.03477	4.1
204.04253	3.5
206.00732	0.4
215.07152	0.8
217.04984	0.5
217.08972	0.4
218.05745	0.5
219.06615	16.7
220.06787	0.7
221.04535	10.7
222.04938	0.6
233.08209	1.5
237.07683	1.0
243.06691	1.4
245.04498	0.5
246.67332	0.5
247.02388	1.1
261.07669	6.5
262.07797	0.7
263.05588	0.8
287.05627	1.2
298.57520	0.5
305.06647	64.7
306.07037	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0668
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
57.03448	11.5
59.01368	3.6
69.03478	2.3
69.87808	2.5
69.88229	2.4
70.69872	0.8
71.01377	2.5
74.30962	0.8
79.01908	0.9
81.03461	4.7
83.01395	5.2
85.02963	6.7
89.02428	2.1
93.03450	3.1
94.43427	0.9
95.01367	3.0
95.05023	3.2
96.40634	0.9
96.95994	2.7
97.02948	3.9
97.89698	1.0
98.19975	1.9
99.04546	1.1
101.02454	1.2
108.56028	0.9
109.02948	14.0
111.00867	1.5
111.04499	4.9
121.02943	3.5
123.00906	6.0
123.04513	2.1
124.01680	6.2
125.02448	100.0
126.02785	3.1
129.01950	2.2
131.76190	0.9
133.06616	1.1
135.04535	1.8
135.63748	0.8
137.02441	28.1
138.03168	1.8
138.05608	2.5
139.04016	22.0
149.02472	1.2
149.06044	2.6
151.03984	2.5
153.02234	1.1
153.07512	1.3
159.04489	1.5
160.05045	0.9
161.02415	3.2
161.04514	0.9
163.03941	1.1
164.01131	6.6
165.01942	20.8
166.02501	1.1
167.03496	23.5
168.03825	1.0
175.04025	3.0
175.07617	1.5
176.04747	1.3
177.01884	2.6
177.05542	5.0
179.03493	21.0
181.04968	1.2
191.07118	1.8
201.05478	1.7
203.03470	3.7
204.04285	3.3
215.07121	1.3
219.06602	17.8
220.07014	1.0
221.04620	8.1
227.03189	1.2
233.08014	1.2
237.07703	1.4
243.06465	1.9
261.07672	6.0
287.21106	0.9
305.06638	65.8
306.06992	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	305.0665
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
53.38708	1.0
53.65993	0.9
57.03449	8.8
66.46542	0.8
69.03458	1.5
71.31876	1.3
71.32225	0.9
76.49865	0.9
80.02690	0.9
81.03451	3.7
83.01373	4.3
93.03441	2.8
95.01394	2.8
95.05015	3.1
97.02952	4.4
107.05003	1.4
109.02950	15.6
111.04508	5.3
113.06046	1.1
118.21898	0.8
118.71394	0.7
121.02924	2.7
123.00861	6.7
123.04570	1.9
123.86444	0.8
124.01710	4.8
125.02447	100.0
126.02776	3.0
135.04543	1.5
137.02443	29.8
138.03079	0.9
139.04016	23.6
140.04373	1.5
147.04524	0.9
149.02451	1.6
149.06055	2.6
151.04007	2.1
159.04482	2.3
161.02434	2.0
164.01154	6.6
165.01924	20.9
167.03484	21.2
173.06096	1.0
175.03987	2.5
177.01930	2.1
177.05521	6.3
179.03500	20.0
181.47147	0.9
191.07086	2.4
201.05489	1.8
203.03481	3.5
204.04256	3.6
210.59431	0.9
219.06610	17.2
221.04568	8.4
237.07805	1.7
243.06627	1.1
261.07672	5.8
263.05524	1.1
287.05405	1.1
305.06665	57.8
306.07010	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0666
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
57.03449	8.0
59.44676	1.1
66.70873	1.0
69.03465	2.1
70.71070	1.4
70.71381	2.2
77.03968	1.2
81.03450	5.0
83.01389	4.9
85.02923	1.5
93.03461	2.5
95.01419	2.4
95.05032	3.9
97.02943	4.9
100.22343	1.0
107.04968	1.5
109.02955	11.7
111.04523	6.1
113.06087	1.4
121.02946	1.8
123.00912	7.4
123.04537	1.4
124.01670	6.0
125.02451	100.0
126.02771	2.5
135.04509	2.7
136.22105	1.2
137.02448	29.5
138.02936	1.0
138.05620	1.1
139.04018	22.7
149.06085	1.7
151.04004	3.0
159.04425	1.4
161.02466	2.9
164.01175	7.4
165.01933	20.9
166.02657	2.4
167.03477	20.3
174.96172	1.2
175.03973	3.3
177.01897	2.2
177.05513	5.3
179.03529	21.7
184.06256	1.0
191.07104	2.9
201.05603	2.1
203.03511	3.2
204.04291	3.5
217.05054	1.3
219.06613	18.4
221.04582	7.0
221.61214	1.1
222.04803	1.3
243.06461	1.3
261.07623	7.5
267.48480	1.1
287.05594	1.3
305.06644	59.2
306.07144	5.3
314.71887	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
57.19917	1.2
58.02977	44.2
59.01376	3.2
71.43203	2.9
86.35932	1.6
86.63345	1.2
97.02933	1.5
109.02888	1.8
122.03689	2.1
123.00858	2.4
123.29770	1.2
125.02446	11.7
136.07658	3.9
137.02449	4.3
139.03947	1.8
152.07195	8.2
161.02393	1.6
165.01909	2.3
167.03526	2.3
168.13936	100.0
169.01422	2.0
169.14262	4.5
179.03400	2.2
212.12921	6.1
246.67242	1.4
304.04684	1.6
304.20074	1.6
305.06638	2.5
305.17487	1.6
314.60574	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	305.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98818	3.9
71.01373	7.9
71.52022	3.5
86.32082	3.0
92.95989	3.9
95.01340	3.5
101.02366	4.1
116.92838	4.0
125.02445	7.1
135.87506	3.2
141.01695	62.5
146.86670	17.7
146.93396	7.1
162.83836	4.5
172.88568	7.1
214.89519	4.7
222.96962	4.0
250.94827	4.5
315.72327	3.6
315.76608	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09688	0.4
57.03452	2.4
59.01379	0.8
69.20545	0.3
71.01404	0.5
71.52706	0.4
79.01887	0.7
81.03461	1.0
83.01389	1.4
85.02943	0.8
87.30630	0.3
93.03474	0.5
95.01402	0.8
95.05031	1.0
96.96009	0.7
97.02947	1.2
97.03562	0.3
101.02456	0.3
109.02948	3.2
111.04494	0.7
121.02930	1.0
122.03745	15.3
123.00887	8.8
123.04596	1.9
124.01667	1.9
125.02449	26.2
126.02811	0.5
137.02451	7.7
138.05602	1.0
139.00322	1.6
139.04025	4.7
141.01912	1.2
149.06137	0.5
151.00368	7.9
151.03970	0.4
152.07170	100.0
153.07506	4.2
154.02721	1.4
156.66547	0.3
161.02467	0.8
164.01155	1.7
165.01945	4.5
167.03516	4.4
175.04007	1.0
177.01904	0.7
177.05603	1.0
179.03481	4.6
191.07187	0.3
203.03554	0.7
204.04338	0.4
219.06639	3.3
221.04562	2.0
261.07697	1.9
263.05426	0.4
304.08258	20.4
305.06552	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	303.0512
Annotation	(+/-)-Taxifolin
Peak:m/z	Relative Intensity
57.03448	17.3
58.03790	0.5
59.01380	4.7
62.45944	0.4
65.00317	3.2
67.01897	0.5
69.03421	0.4
69.28550	4.6
71.01380	0.6
71.70995	0.5
73.02943	8.7
79.95745	0.5
80.24732	0.5
81.03445	1.2
83.01386	6.6
93.03442	1.2
95.01392	1.1
96.95989	1.2
105.03474	1.0
107.01387	2.8
108.02186	0.6
109.02979	3.3
111.00883	1.3
121.02965	1.8
122.03752	0.9
123.00886	1.8
123.04535	7.5
124.01675	3.0
125.02448	100.0
126.02777	3.0
137.02437	4.1
139.04024	1.7
143.05040	0.7
144.68286	0.5
145.02931	1.2
146.03751	1.0
147.04489	1.7
149.02441	5.2
150.03224	7.1
151.00386	8.7
151.04007	11.1
152.01198	4.2
153.01939	6.6
159.04585	1.1
161.02461	1.3
161.06096	1.2
164.04849	0.7
165.01900	1.0
165.05629	0.6
167.03621	0.6
169.01384	3.0
171.04523	2.1
172.05219	0.7
173.06029	1.0
174.03217	3.5
175.03998	17.0
176.04349	0.9
177.01930	17.0
178.02283	1.0
178.99860	8.3
181.01454	1.7
185.06052	0.7
187.03961	0.7
188.04791	2.3
189.05588	5.0
191.03548	0.8
193.05064	3.0
197.06003	0.7
198.03154	0.6
199.03993	7.3
199.13391	7.5
200.04405	0.9
201.01933	2.0
213.05527	1.4
214.05931	0.5
214.25551	0.5
215.03441	0.8
215.07156	0.8
215.11943	1.1
216.04274	2.4
216.07845	0.5
217.05042	9.8
231.06650	1.3
241.05092	6.9
241.09865	2.0
242.05359	0.8
243.02956	1.0
243.12363	1.7
257.04678	1.5
259.06143	4.9
260.06464	0.6
275.05688	4.8
285.04050	54.3
285.08975	1.9
286.04379	4.3
303.05170	7.0
303.09457	1.1
304.05554	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.202
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03454	2.5
59.01386	0.5
63.75578	0.4
65.00314	0.9
69.03445	0.7
83.01393	0.4
83.04999	0.5
85.22694	0.4
93.03490	0.5
97.06585	1.4
99.08139	0.7
111.08191	0.6
113.09695	1.7
116.19521	0.5
121.02941	0.5
122.02455	0.4
123.00926	2.0
125.09708	1.5
131.81779	0.3
135.04504	0.6
138.03194	1.4
139.04099	0.4
139.05893	0.5
139.11259	0.8
141.12840	0.7
149.02405	0.6
151.00359	1.9
178.99821	0.7
183.13850	1.3
187.09760	1.4
211.20555	0.5
221.19093	34.3
222.19435	2.3
227.12880	1.6
237.18599	1.0
239.20255	3.3
257.21225	1.3
265.18069	20.3
266.18454	1.7
273.04022	1.0
283.19125	17.5
284.19418	1.6
286.08435	0.5
300.99863	6.7
301.03464	4.9
301.20169	100.0
302.00500	0.6
302.03827	0.7
302.20499	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	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97498	1.1
82.58538	0.6
93.90369	0.6
118.96260	1.1
123.00847	1.3
131.93192	0.7
134.99393	5.3
135.77164	0.7
136.97298	2.3
143.05363	1.2
159.08420	1.7
161.06415	6.0
177.81134	0.6
183.13914	0.9
203.05644	3.4
205.03474	1.3
214.89261	0.6
215.05696	0.7
217.07201	82.7
218.07324	6.0
243.25154	0.6
285.13464	34.2
286.13654	3.7
300.99890	3.0
301.16595	100.0
302.16772	13.0
313.70117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.8
65.00315	0.8
69.41000	1.6
69.41404	0.6
71.01366	0.7
73.02957	0.3
83.01404	0.6
91.04003	1.1
93.03463	0.5
95.01402	0.6
96.95995	1.0
98.19824	0.6
107.01379	1.2
109.02958	3.2
114.59229	0.4
121.02929	0.9
121.68539	0.3
123.00897	3.0
123.04558	0.4
124.01653	0.8
125.02435	2.1
137.02383	0.6
138.03207	1.0
138.05614	0.6
139.04012	0.5
145.02980	0.5
149.02449	3.9
151.00375	1.7
151.04015	0.5
165.12842	3.6
169.01385	1.6
177.01950	0.7
183.13895	100.0
184.14226	5.6
189.01894	0.9
191.03529	0.7
209.11806	3.5
217.01463	0.5
219.02899	0.4
227.12881	5.1
239.03581	0.4
255.03046	0.6
273.04291	0.5
300.99899	4.1
301.03543	11.4
301.11050	0.6
301.16583	9.3
301.55957	0.4
302.03815	1.2
302.06897	0.6
302.16943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87854	0.7
55.01874	2.3
59.01381	53.0
59.19907	0.7
59.73745	0.8
60.01701	0.7
67.01859	1.0
68.57953	0.9
69.03422	0.9
71.31655	1.4
73.02946	100.0
73.42278	0.7
74.03288	1.9
93.03429	0.8
95.01386	1.2
96.72660	0.7
97.02933	1.2
107.01397	2.2
111.00847	1.3
117.02005	0.8
123.00890	7.7
123.08178	5.1
124.01687	5.7
125.02449	21.6
136.98790	0.8
137.02411	1.4
138.03233	2.6
139.00380	2.4
139.04028	1.5
140.01187	2.3
141.37900	0.7
145.02887	0.8
151.00357	1.1
167.07126	5.5
168.00652	2.8
169.01418	22.1
185.08241	1.0
197.11833	69.9
198.12164	4.9
232.02966	6.9
241.10811	11.3
259.11951	0.8
295.04858	1.0
300.99939	1.5
301.03271	1.0
301.12927	6.7
302.05341	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	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.7
59.41568	0.1
65.00325	0.2
67.84663	0.1
70.42296	0.1
70.97520	0.3
71.01367	0.3
76.97371	0.1
77.79475	0.1
83.01392	0.2
89.02449	0.3
91.04008	1.0
95.01392	0.1
96.96014	0.2
97.06570	0.2
107.01369	0.4
109.02935	0.1
111.08143	0.3
121.02950	0.2
121.34921	0.1
123.00895	0.7
125.02419	0.1
138.03143	0.3
138.05577	0.1
139.04024	0.1
139.05907	0.1
149.02415	0.2
151.00345	0.9
151.06007	0.1
160.52177	0.1
165.12842	3.9
166.13245	0.2
178.99806	0.3
183.13889	100.0
184.14227	5.7
185.02325	0.1
209.11809	2.3
210.12151	0.2
211.03865	0.1
219.59897	0.1
225.05684	0.1
227.03491	0.1
227.12869	4.5
228.13252	0.3
271.06049	0.1
273.04111	0.2
300.99896	1.5
301.03522	2.0
301.07083	0.2
301.16550	8.1
302.00406	0.2
302.16901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0564
Annotation	fludiazepam
Peak:m/z	Relative Intensity
58.00581	0.6
59.01379	6.8
67.01857	0.5
69.03464	1.1
70.06970	1.9
70.07388	0.9
71.01379	13.3
71.33858	0.6
73.02956	1.2
81.03439	0.9
83.01407	0.8
85.02937	3.9
87.00880	0.6
89.02441	7.0
92.00975	0.6
95.01391	3.2
97.02956	1.5
101.02423	1.3
107.01385	10.4
111.00899	1.8
113.02456	1.7
117.93266	0.6
123.00882	35.9
124.01753	4.0
125.02446	52.5
126.02773	1.8
127.00304	1.0
136.98801	1.5
137.02446	2.2
138.03235	20.0
139.00381	2.5
139.04025	5.1
140.01137	3.1
149.02498	0.6
149.04564	2.3
151.00366	1.8
166.02722	0.9
166.99854	0.9
168.00618	4.0
169.01419	100.0
170.01750	3.3
181.05069	2.6
183.02988	1.2
188.61354	0.6
193.01416	0.7
193.05037	1.0
197.04562	1.7
207.88986	0.7
211.02556	2.9
241.03517	2.6
301.05658	47.3
302.05981	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	301.0353
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.54395	0.6
59.01369	1.5
63.02399	7.3
65.00326	16.3
71.55984	0.7
76.98204	0.7
78.95889	1.2
83.01380	10.0
93.03465	4.5
96.96014	1.4
107.01393	23.8
109.02943	2.3
121.02156	1.4
121.02964	19.0
123.00883	4.4
125.02422	2.2
133.02911	0.7
136.07689	1.1
138.03244	2.3
138.05565	0.9
139.04001	2.2
139.05901	0.8
145.02946	1.2
147.04572	0.9
149.02464	5.7
151.00371	65.2
152.00771	2.2
159.04431	0.9
161.02458	1.9
163.00392	1.7
163.02419	0.8
163.03864	1.3
164.01167	1.2
169.01367	3.1
173.02440	1.0
178.99873	21.9
183.04416	1.5
183.13947	3.4
184.24066	0.7
185.05972	0.8
193.01460	0.8
201.05623	1.1
205.05089	1.2
211.04015	1.1
211.13396	1.3
215.03569	1.3
227.03398	1.4
229.05048	1.5
239.03352	1.2
245.04497	2.6
255.02876	1.2
257.04556	1.6
271.05878	0.9
273.04080	3.5
300.99954	9.5
301.03500	100.0
301.10870	2.3
301.16669	1.3
301.20230	4.2
302.00366	1.5
302.03745	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	301.0337
Annotation	HIERACIN
Peak:m/z	Relative Intensity
54.09037	1.0
59.01365	1.2
63.02394	8.8
65.00323	17.1
69.05326	0.9
69.26865	3.7
69.27286	5.4
69.56276	0.9
72.09855	0.9
83.01392	9.6
93.03465	9.9
96.96033	2.1
107.01390	27.5
109.02959	5.8
117.03492	1.0
119.01421	1.1
121.02962	20.3
122.03288	1.6
123.00875	4.5
125.02435	6.9
138.03236	1.4
139.03972	3.0
145.02991	1.1
149.02443	5.7
151.00371	67.1
152.00685	3.3
159.04521	1.1
161.02412	4.2
163.00339	5.0
163.03951	1.2
164.01167	1.3
167.03499	4.3
169.01402	8.5
175.03996	1.0
177.01913	3.3
178.99852	23.6
180.00119	1.1
183.04480	1.2
187.04095	1.4
189.01956	1.5
201.05589	1.6
227.03407	1.7
229.05103	3.5
230.05362	1.2
241.05069	1.6
245.04533	3.7
255.03046	3.7
257.04379	1.7
271.06073	2.2
273.04019	3.7
283.03009	1.1
283.06174	4.4
301.00250	3.8
301.03522	100.0
301.07059	4.0
301.20407	1.5
302.03830	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	301.0353
Annotation	Bracteatin
Peak:m/z	Relative Intensity
59.01367	0.9
63.02392	0.8
65.00317	2.5
65.93495	0.7
69.17576	6.2
81.03455	0.6
83.01395	2.0
83.40214	0.6
91.18041	0.6
93.03461	10.0
95.01337	0.8
96.95998	1.8
105.03461	2.5
107.01414	4.6
109.02919	1.6
119.05003	1.0
121.02958	2.1
123.00897	6.4
123.04536	0.8
124.01709	0.6
125.02445	11.4
129.67732	0.6
133.02925	1.5
135.00795	0.5
137.02419	0.9
138.03230	1.0
138.05559	1.0
139.03983	1.8
145.02956	1.0
149.02448	27.5
150.02774	1.6
151.00371	10.8
157.06612	0.6
159.04535	1.0
161.02461	6.9
162.02939	0.7
163.00369	0.8
163.04012	0.7
167.03514	6.0
169.01436	15.7
170.01735	1.4
174.84969	0.6
175.04016	0.6
177.01920	5.8
179.03416	1.0
183.04431	1.0
187.04045	1.2
189.01941	3.7
190.02534	0.8
191.03520	4.1
201.02002	0.8
202.17616	0.6
209.11801	1.0
211.04147	0.8
213.05487	0.9
215.03508	1.5
217.01410	2.5
227.03514	1.9
229.05029	2.1
233.04517	1.7
239.03445	1.8
241.05046	3.0
255.02983	1.8
255.75499	0.6
257.04474	0.9
271.06107	5.2
272.06476	1.1
273.04041	1.2
283.03174	0.9
283.06088	5.2
284.06485	0.7
301.03506	100.0
302.03845	6.7
319.04675	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	300.999
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
59.01108	0.5
59.01383	6.8
65.00307	0.6
68.19296	0.3
71.55109	0.5
73.02946	8.4
79.78738	0.3
81.03465	0.3
96.96017	0.5
117.03476	0.9
119.05080	0.4
123.00847	1.3
124.01600	0.5
125.02439	1.3
129.03493	1.0
130.03668	0.4
133.02974	0.9
138.03220	0.5
139.03963	0.5
145.02931	2.7
147.04549	0.5
151.00349	0.8
157.02950	1.5
161.02370	0.7
163.03944	0.7
167.07060	0.4
169.01460	1.7
173.02438	3.3
175.00517	0.4
184.01639	0.4
185.02396	4.4
189.01939	1.1
197.11827	9.0
199.00343	0.7
200.01140	0.7
201.01906	3.7
213.01897	0.6
216.00671	0.4
217.01390	0.9
226.99838	1.3
228.00584	0.6
229.01408	5.6
241.10806	1.8
245.00912	2.9
254.99332	0.5
257.00882	3.0
283.99606	4.7
284.99924	0.7
299.99155	4.3
300.99887	100.0
301.02969	3.4
302.00229	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	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00314	0.4
54.47000	0.3
59.01377	2.4
61.93850	0.3
65.40217	0.3
68.01410	3.5
69.38120	2.5
71.01377	1.0
75.25896	0.3
89.02448	0.4
94.06584	0.3
95.05096	0.3
96.04552	0.5
109.01683	0.4
112.84509	0.3
122.02480	0.9
123.02427	0.6
123.03265	6.5
124.07672	1.0
136.07693	0.5
137.04848	0.8
138.05609	100.0
139.05959	3.4
152.07185	1.7
166.08786	0.5
167.05853	2.6
168.06718	0.7
180.06648	5.5
181.07066	0.3
199.48160	0.3
210.07732	0.9
237.53607	0.3
240.08765	0.5
258.31207	0.3
300.10886	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	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03828	0.2
57.03456	0.4
59.01394	1.1
68.01409	0.4
69.41138	1.9
71.01373	0.4
83.04995	0.2
89.02479	0.4
93.75410	0.2
122.02496	0.7
123.00896	0.4
123.03268	10.2
124.07687	0.5
137.04819	0.7
138.05611	100.0
139.05945	3.1
149.12253	0.2
152.07231	0.4
155.10741	0.3
165.04321	0.8
167.05862	0.4
169.01363	0.3
177.86507	0.2
180.06654	2.0
195.13893	0.5
196.14261	1.7
214.15317	0.7
300.10892	4.8
301.05591	0.6
301.11041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
65.00323	1.7
69.36659	1.0
69.37087	1.0
70.09423	0.3
80.59910	0.2
83.01386	0.9
91.01904	0.9
93.03453	0.3
96.95995	0.4
100.95046	0.2
106.63349	0.3
107.01385	2.9
108.02179	4.0
109.02963	0.6
120.02168	0.4
121.02932	0.5
123.00893	0.7
123.03304	0.2
124.01650	0.8
135.00880	1.5
137.02409	0.4
138.03276	0.2
138.05615	3.5
139.04124	0.4
143.05045	0.5
147.00926	0.8
148.01666	4.3
149.02400	0.4
151.00371	3.8
152.01062	0.4
153.02005	0.5
155.05083	0.6
157.02927	0.3
159.04498	0.5
163.00415	1.4
164.01170	1.0
167.04961	0.3
169.01463	0.3
171.04489	1.2
173.02469	0.5
175.04015	0.6
178.99857	1.0
180.06660	0.3
182.03638	0.3
183.04532	1.4
185.02477	0.7
187.04001	1.6
190.99823	0.4
192.00641	0.5
195.99992	0.2
198.03197	1.1
199.03996	4.6
200.04442	0.4
201.01901	2.0
202.02565	0.3
203.03477	1.3
211.04007	2.3
213.01936	0.9
215.03477	3.9
216.04247	0.6
224.39476	0.2
225.79408	0.3
226.02690	3.1
227.03496	7.4
227.05721	0.4
228.03821	0.6
229.01387	1.1
242.02177	0.9
242.04414	0.3
243.02971	21.0
244.03380	2.1
245.04460	0.3
254.02208	2.6
255.02969	35.1
256.03360	2.6
270.01556	0.4
271.02460	86.5
272.02890	6.7
273.03860	0.3
283.02475	0.3
283.99722	0.3
299.02051	2.1
300.02728	100.0
300.99835	1.9
301.03183	12.3
301.20114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0559
Annotation	Diosmetin
Peak:m/z	Relative Intensity
57.03444	0.9
59.01388	1.8
63.02417	1.1
65.00347	0.7
71.52297	0.8
71.52635	0.7
73.24310	0.7
77.53181	0.6
81.80641	0.6
83.01410	1.4
84.35475	0.6
91.33719	0.7
93.03481	0.8
95.05031	0.7
96.96009	0.8
97.06615	2.7
102.16302	0.7
107.01422	2.4
132.02211	0.9
133.02942	5.0
134.03726	1.7
136.07742	0.8
137.02399	0.9
138.05626	3.6
139.11282	7.0
143.05136	0.9
148.01668	0.8
151.00398	3.6
156.41331	0.6
183.10330	2.6
199.04047	1.6
200.04781	0.9
211.04056	1.5
212.04750	0.8
217.00282	1.4
227.03534	2.4
237.18582	1.6
246.93251	0.7
255.03009	2.0
256.03796	5.6
270.55313	0.7
270.99048	1.2
271.02472	3.3
281.17563	2.8
283.02475	1.3
284.03244	90.0
285.03561	6.5
287.23776	0.7
290.88892	0.7
299.05579	100.0
299.18643	13.7
300.02652	1.4
300.05829	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	299.0562
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
52.22678	0.4
59.01419	1.3
63.02445	1.3
65.00361	0.7
80.63773	0.4
82.03772	0.4
83.01427	1.0
87.70380	0.5
107.01445	2.1
132.02211	0.7
133.03014	1.0
134.03787	0.6
138.05679	2.0
148.01636	0.5
148.07777	0.6
151.00345	3.5
161.02444	0.9
167.08627	0.5
176.07184	1.0
183.04604	0.7
197.79102	0.4
199.04002	1.0
200.04892	0.5
211.04005	0.9
212.04700	0.5
215.03484	0.7
227.03531	2.9
228.04053	0.5
239.03387	0.5
243.02943	0.7
254.46399	0.5
255.03029	2.1
256.03763	23.1
257.04175	1.5
271.02530	2.7
283.02417	1.1
284.03250	100.0
285.03601	6.1
299.02185	3.3
299.05579	63.8
300.02811	1.0
300.05905	4.7
300.16049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	83.4
61.98832	7.4
66.44182	1.4
66.54100	1.6
67.56212	1.4
70.32896	5.7
80.76210	1.4
90.97137	2.2
99.92581	3.6
108.28098	1.8
113.18446	1.6
132.98146	2.5
138.05591	6.2
143.57741	2.0
159.86003	1.8
162.83908	3.9
171.88795	1.5
174.99200	25.5
186.95613	1.9
197.90266	1.8
211.71687	1.5
215.85783	1.7
217.00276	100.0
217.86919	2.4
218.00577	4.5
226.86786	1.8
238.91164	2.6
244.87970	7.3
245.85576	6.9
251.65176	1.8
261.10150	1.8
284.10306	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	298.166
Annotation	Intermedine
Peak:m/z	Relative Intensity
59.01369	0.9
69.45463	2.1
70.49683	0.2
71.01369	0.3
85.14332	0.2
88.04044	100.0
89.04336	1.3
97.06599	0.4
122.30950	0.3
128.24452	0.3
141.21347	0.3
148.07632	0.3
151.00346	0.4
165.12776	1.4
192.17555	1.7
209.11815	0.8
216.95766	0.3
236.16554	18.2
237.16937	1.0
242.13232	0.3
254.17596	6.3
271.02524	1.3
280.15533	11.2
281.15817	0.8
298.16589	24.1
299.01944	1.2
299.05164	0.3
299.16641	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	297.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64148	6.2
53.78922	6.4
56.17476	6.2
57.03448	43.0
59.01388	37.5
75.00885	7.1
85.02946	14.5
109.06571	17.9
111.04531	18.2
131.03506	10.6
135.08136	22.3
137.09705	20.7
149.09720	8.5
163.11292	14.1
167.10843	13.6
177.09241	59.5
193.12329	100.0
211.13362	21.4
217.12227	9.8
235.13400	21.1
246.49680	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1342
Annotation	Tehranolide
Peak:m/z	Relative Intensity
55.01882	1.7
55.65152	1.0
57.03451	4.7
59.01382	24.1
66.18160	0.8
71.01389	8.1
71.52770	1.0
71.53146	1.0
72.99319	1.3
73.02958	1.6
75.00888	1.4
78.95887	1.0
81.03465	2.8
83.05028	100.0
84.05360	2.6
85.02946	3.5
87.00896	1.8
87.54428	0.8
88.04059	1.3
89.02439	8.8
95.05015	1.2
96.96027	5.6
101.02407	5.0
107.05054	1.6
109.02927	2.1
109.06593	6.4
111.04524	3.9
113.02453	2.6
119.03507	3.7
120.05769	1.2
121.06582	1.9
123.08187	1.8
125.02445	1.1
125.06027	1.3
133.06581	2.2
135.04527	2.5
135.06641	1.5
135.08183	6.3
141.23061	0.9
147.08157	9.7
149.09727	1.3
151.07689	5.6
153.05580	27.8
159.17052	0.9
161.04594	2.2
161.09651	1.8
163.11295	3.0
169.10222	4.2
171.08203	3.2
175.11298	1.9
187.11282	19.3
188.11668	1.9
189.09323	1.2
190.10020	2.2
205.12334	23.5
206.12846	1.1
235.13394	28.8
236.13589	1.3
237.09799	2.1
253.14482	1.5
297.08157	7.1
297.13440	92.3
298.06128	1.4
298.13831	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	297.119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.4
59.01379	100.0
69.85265	7.7
71.01382	18.7
73.02949	3.9
82.82433	1.5
83.01378	1.9
83.05029	11.9
85.02955	5.9
89.02453	18.2
101.02453	14.5
113.02448	7.3
115.30095	1.6
119.03508	6.1
135.04568	2.1
135.06668	4.0
153.05530	2.6
161.04510	10.4
169.38145	1.5
179.05623	3.7
222.48878	1.7
235.13425	4.5
237.09801	17.3
237.98265	1.6
297.13879	9.5
316.42130	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.6
57.03434	3.4
58.00587	3.9
59.01380	100.0
60.01731	1.2
63.91241	0.9
66.21632	0.9
68.57716	0.9
69.70142	5.5
71.01382	61.4
71.05016	0.9
72.99312	5.6
73.02932	6.3
75.00858	1.7
80.96529	1.8
83.01390	5.8
83.05031	1.6
85.02957	19.2
87.00871	4.2
89.02448	60.6
90.02805	1.1
93.03473	1.6
95.01392	4.7
96.96001	4.2
97.02939	1.2
99.00885	4.0
101.02444	36.1
107.00342	1.0
113.02447	21.6
115.04047	0.9
117.05565	3.4
119.03503	26.4
121.02961	1.5
122.02488	18.1
125.02480	2.2
128.74393	0.9
129.01944	2.3
129.95602	1.0
131.03477	2.5
131.99643	1.0
133.05099	1.4
133.08681	2.3
137.02478	1.5
143.03499	3.4
149.02461	1.0
149.04532	2.3
159.03012	1.4
161.04562	6.9
169.01323	1.3
173.04529	1.9
177.03995	2.5
179.05597	4.1
180.06537	0.9
248.95084	1.0
295.04910	2.9
295.10352	98.8
296.07724	1.6
296.10736	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.25238	0.9
50.30789	1.0
50.74122	1.1
53.75156	1.3
59.01376	10.3
61.98847	1.4
67.94904	1.0
71.01380	3.8
71.46832	2.4
85.02948	1.5
99.08131	1.2
101.02427	1.6
111.08137	1.4
119.40800	1.2
123.00908	2.3
149.14565	1.2
165.12836	8.9
171.10272	29.4
172.10652	1.4
183.10271	3.5
188.21384	1.0
195.13882	1.9
202.08554	1.1
237.33904	1.2
251.20058	1.2
277.21729	41.2
277.24796	2.1
278.22037	3.6
295.22763	100.0
296.23068	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	297.0768
Annotation	Alfalone
Peak:m/z	Relative Intensity
51.83966	0.4
59.01374	5.5
65.00324	1.2
71.01367	2.1
79.23890	0.4
80.96549	0.4
83.01368	1.0
85.02953	0.4
89.02449	1.4
101.02431	1.4
101.34272	0.4
103.05540	0.8
105.03441	1.6
105.31249	0.4
107.01376	2.9
113.02464	0.6
119.04971	1.0
121.02910	0.5
123.04510	1.3
125.02448	0.6
132.02176	0.6
134.03749	0.6
135.04523	1.7
147.04506	6.3
149.02428	4.9
151.00363	10.2
161.04594	0.7
169.01492	0.5
169.51357	0.4
179.05705	0.6
190.02747	3.2
191.03496	100.0
192.03842	4.6
222.75545	0.4
237.09808	0.9
280.73517	0.4
297.07639	7.5
297.17090	0.7
297.24350	2.5
297.27539	0.5
298.07846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
55.99389	0.3
57.03445	1.5
58.00596	3.8
58.55542	0.3
59.01381	99.1
60.01714	1.1
60.07754	0.3
62.55879	0.3
71.01384	46.2
71.05019	0.7
71.52700	0.4
71.53107	0.5
72.01710	0.8
72.99304	3.7
73.02944	2.3
75.00855	0.6
83.01384	2.7
85.02956	11.4
86.03315	0.4
87.00876	2.6
89.02445	56.3
90.02785	1.0
95.01392	4.0
99.00900	1.1
101.02444	32.2
102.02787	0.8
113.02454	20.2
114.02791	0.7
115.00369	1.1
115.04002	1.9
119.03507	24.3
120.03847	0.5
125.02437	0.5
131.03535	1.8
133.05061	1.6
143.03490	2.3
145.05025	0.4
149.04594	1.6
161.04562	4.2
179.05606	3.4
235.08195	1.5
236.08484	0.3
239.90144	0.3
257.75610	0.3
278.70450	0.3
295.10327	100.0
296.10678	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	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90372	1.1
55.01889	1.5
57.03447	2.1
58.00591	2.9
58.53959	1.0
59.01379	93.1
60.01714	1.3
61.37205	1.3
67.01905	1.2
67.52134	1.1
71.01380	51.9
71.53146	1.5
72.99313	3.8
73.02933	2.8
75.00886	3.1
83.01401	3.6
83.05033	1.5
85.02946	18.0
87.00881	3.7
89.02443	57.6
93.03488	1.8
95.01381	3.5
96.96018	8.3
98.15788	1.2
99.00914	2.9
101.02438	29.8
102.02809	1.6
113.02435	21.8
117.05582	5.7
119.03497	23.7
121.02965	4.0
122.02475	2.7
123.00953	1.9
125.02444	4.5
129.01904	3.0
131.03477	1.9
133.05048	2.2
133.08650	1.7
134.03633	1.8
137.02470	1.8
143.03514	2.0
149.04541	1.3
161.04596	4.7
164.05759	7.1
169.01422	3.7
177.01917	1.8
177.04025	5.7
192.04268	1.3
211.14040	1.5
295.04797	4.5
295.10355	100.0
295.13507	3.8
296.10641	8.1
296.88022	1.3
303.54675	1.3
304.02072	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61309	0.3
55.01880	0.4
57.03452	1.6
59.01382	2.6
70.35888	0.2
71.01385	0.7
71.05022	0.8
72.99306	0.4
74.02495	0.3
74.17456	0.3
79.95333	0.3
79.95742	1.4
83.01358	0.3
83.05010	0.3
85.02948	4.3
89.02409	0.4
96.96009	100.0
97.02981	0.3
100.30714	0.3
101.06075	4.6
111.00884	1.3
119.39666	0.3
121.02953	4.8
125.02467	2.0
129.01936	1.0
133.06596	0.5
140.01184	0.3
142.62056	0.3
161.06117	1.1
169.01445	1.1
172.45065	0.3
173.09715	0.4
189.05583	1.8
197.11783	0.3
205.39255	0.3
215.12875	4.0
219.04080	0.5
243.03172	0.3
247.84470	0.3
251.05437	1.1
251.09569	24.6
252.09842	1.4
253.10887	0.5
277.07501	1.1
295.08533	44.4
296.08704	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	295.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.9
59.01380	7.5
60.00507	0.7
67.01885	5.2
69.03456	2.8
71.01387	5.3
71.05022	7.5
71.52240	1.0
76.39750	0.8
79.95735	21.8
81.03464	1.2
83.01382	1.0
83.05023	1.7
85.02934	1.6
85.06616	2.6
93.03457	27.9
95.01385	0.9
95.95219	3.7
96.96008	46.5
97.06575	1.5
99.08174	2.9
111.00867	1.5
111.04506	5.6
113.02467	1.6
119.03506	1.0
121.02956	26.3
122.03318	0.8
123.00862	1.1
124.01645	0.9
125.02447	15.9
125.06061	1.0
125.09661	1.2
136.99181	1.1
137.02423	5.2
141.12848	1.0
143.10789	1.4
149.60089	0.8
151.00505	0.9
151.19556	0.7
155.03490	5.0
169.01427	6.7
169.02747	0.9
169.12346	3.6
171.13928	4.6
173.04543	100.0
174.04808	3.7
197.11858	3.4
215.12871	26.9
232.02881	0.8
233.08443	0.8
238.98824	0.8
250.23441	0.7
253.10789	1.2
277.07510	2.6
295.08527	98.6
296.08817	6.5
313.05524	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.3
67.01878	5.5
69.41572	8.9
72.99302	4.9
83.01378	3.9
84.60645	1.1
85.02949	16.8
96.96011	63.9
98.19791	1.7
101.02415	3.3
101.06045	3.3
110.07549	1.1
111.00880	100.0
112.01213	3.0
129.01942	4.9
154.99867	14.9
173.00909	26.7
174.01231	1.4
215.12877	4.1
251.09549	10.7
295.08514	38.9
296.08768	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49654	0.4
55.52247	0.5
57.03456	0.6
59.01366	2.0
61.98822	1.0
69.03444	0.6
71.01380	1.7
71.06975	1.0
88.00674	0.5
89.02396	0.5
96.95994	1.2
111.08157	0.6
113.09705	1.4
136.08920	4.2
177.09152	0.7
177.12723	0.7
179.14374	1.3
192.11526	3.1
193.15964	5.8
195.13887	15.2
196.14326	0.8
205.12289	1.5
205.16023	0.6
211.13339	0.7
220.14673	4.9
221.00771	0.6
221.15430	10.3
222.15686	0.7
223.13370	10.5
224.13979	0.6
228.13545	1.5
231.21045	0.8
236.10521	6.8
249.18579	2.1
256.13153	3.8
265.21573	0.9
275.20108	8.4
293.21191	100.0
294.21521	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17873	0.6
55.47491	0.5
57.03427	0.5
59.01386	3.0
60.06868	0.4
61.98830	1.2
65.13352	0.6
70.76128	1.5
71.01385	2.2
77.20706	0.7
89.02458	0.5
90.68948	0.5
94.63148	0.5
96.96019	1.0
99.00905	0.6
111.08126	1.0
113.09718	1.4
115.92049	0.7
121.29475	0.5
121.54415	0.5
127.48965	0.5
132.47362	0.5
136.08945	3.6
159.77618	0.5
167.10820	1.0
177.09267	0.9
177.12897	0.8
179.14366	1.1
192.11621	2.9
193.15991	7.6
195.13901	14.9
196.14438	0.7
205.12346	2.3
205.16039	0.9
211.13367	0.8
220.14677	5.3
220.64024	0.5
221.15474	10.3
222.15767	0.8
223.13380	9.2
224.13860	0.9
228.13635	1.6
236.10544	6.4
249.18591	2.1
256.13135	3.8
265.21628	0.7
275.20154	8.4
293.21234	100.0
294.21527	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	293.2123
Annotation	13-HOTE
Peak:m/z	Relative Intensity
59.01381	4.6
61.12827	1.2
61.28308	1.3
61.98848	1.1
64.58755	1.3
65.32815	1.2
67.39701	1.3
68.99783	1.1
71.01383	2.9
71.54899	1.7
79.95734	1.5
84.10030	1.2
89.02495	1.9
92.12287	1.4
96.96035	9.4
100.10727	1.2
111.08132	2.8
121.02970	2.5
153.72493	1.3
179.14458	2.8
195.13924	13.6
223.13419	9.5
228.13802	1.4
249.18625	1.5
256.13147	4.4
275.20193	6.9
276.20447	1.4
287.89954	1.4
293.06982	4.5
293.14255	4.4
293.18054	3.8
293.21222	100.0
294.21542	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	293.212
Annotation	13-HOTE
Peak:m/z	Relative Intensity
59.01372	1.2
71.01402	0.9
71.36552	0.6
79.95735	2.5
89.02380	0.4
93.80244	0.4
95.04984	0.5
96.96007	100.0
104.28484	0.5
111.08141	0.8
113.09683	0.6
117.81999	0.4
136.08929	0.8
167.10764	0.5
179.10715	0.4
179.14426	0.7
180.45792	0.4
181.26807	0.4
192.11650	1.2
193.15945	1.7
195.13902	11.0
196.14374	0.6
205.12340	1.4
211.13478	0.7
220.14610	3.3
221.15414	6.6
223.13391	6.2
228.13721	1.1
235.63257	0.5
236.10515	4.1
249.18498	0.8
256.13055	2.3
265.21957	0.6
272.75150	0.5
275.20193	5.6
293.17908	69.9
293.21237	73.5
294.18188	5.1
294.21564	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01363	1.1
70.99795	0.6
71.01396	0.5
87.69073	0.4
96.96007	2.5
97.06591	0.8
109.06627	0.4
117.06744	0.4
121.10243	0.6
123.08157	1.0
125.09741	4.5
136.08925	0.8
141.12862	1.1
149.09702	1.6
183.13937	0.5
185.10211	0.6
185.11821	9.8
186.12178	0.5
192.11555	0.8
193.15977	1.5
195.13881	1.2
197.11734	2.3
220.14645	2.6
221.15471	5.5
223.13388	0.8
236.10489	3.4
249.00052	0.4
249.18517	0.4
249.22209	0.9
275.20135	1.4
293.21201	100.0
294.21524	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	293.2121
Annotation	13-HOTE
Peak:m/z	Relative Intensity
55.47057	0.6
57.03438	3.1
59.01364	3.0
61.98816	1.8
68.99801	1.0
71.01363	2.2
76.60920	0.7
85.02951	0.8
87.40527	0.9
96.96000	2.9
113.09718	11.5
121.10232	1.2
134.66765	0.7
136.08917	2.0
139.11261	1.5
149.09596	0.8
166.54668	0.8
167.10689	1.4
171.10289	2.4
177.01793	0.8
177.12779	1.1
179.10800	1.3
179.14372	1.2
192.11531	2.7
193.15903	4.6
195.13890	9.6
203.70566	0.9
205.12225	0.9
220.14668	5.2
221.15434	10.9
223.13379	4.7
231.21246	1.2
236.10501	7.4
249.18575	1.1
249.22267	1.4
251.10367	0.8
256.13199	2.1
265.21503	0.8
269.19461	0.7
275.20105	7.2
292.98981	1.0
293.21204	100.0
294.21573	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	293.2119
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
52.99513	0.4
57.03438	1.1
57.74094	0.4
58.22909	0.4
59.01368	1.7
59.13425	0.5
61.98825	1.2
66.61870	0.4
69.03478	0.5
71.01385	0.6
71.52608	0.7
79.17271	0.4
89.02467	0.5
93.94920	0.4
96.96015	1.7
97.06573	0.6
105.16442	0.5
111.08163	1.2
113.09733	0.6
121.10236	0.5
121.53172	0.5
132.63991	0.6
133.31012	0.5
142.97348	0.6
155.37357	0.5
167.10687	0.6
179.14394	2.1
195.13898	15.2
196.14349	1.0
205.12341	0.9
205.15974	1.2
211.13437	0.9
223.13377	10.1
224.13832	0.8
228.13623	1.8
256.13187	3.1
256.40100	0.5
275.20120	7.2
293.21210	100.0
294.21561	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	293.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.8
61.98835	0.8
71.01389	1.4
71.54273	0.7
71.54679	0.8
79.95738	2.7
85.02943	0.6
96.96010	100.0
118.31434	0.6
136.08942	2.6
164.08369	0.7
164.27536	0.6
177.09268	0.7
192.11581	2.7
193.15982	4.7
205.12352	1.0
220.14673	5.9
221.15437	14.0
236.10486	9.4
249.18655	1.1
293.17947	71.2
293.21219	6.8
294.18225	5.1
294.21442	1.4
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(S)-HOTrE
Peak:m/z	Relative Intensity
53.95218	0.4
57.03453	0.7
59.01375	2.4
59.97126	0.4
61.98810	0.8
69.03428	0.6
71.01373	1.1
71.55168	0.6
73.14636	0.4
88.75192	0.4
95.04988	0.7
96.96002	2.0
97.05133	0.5
107.28773	0.4
111.08159	1.3
113.09711	1.5
121.02893	0.5
122.47775	0.5
175.71339	0.5
179.10712	0.5
179.14383	1.0
195.13890	15.4
196.14244	1.0
205.12363	1.0
205.15965	1.2
211.13437	0.6
220.14677	0.9
221.15559	0.7
223.13383	9.0
224.13835	0.6
228.13715	0.9
231.21132	0.6
236.10548	0.6
249.22005	0.5
256.13165	4.2
265.21545	1.3
275.20108	7.7
276.20517	0.9
293.21216	100.0
294.21552	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	293.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.6
62.96301	0.8
71.01380	6.9
71.29748	0.9
71.30074	1.5
98.77586	0.8
100.24825	0.9
102.00417	0.8
148.05339	1.1
177.09200	6.5
192.11507	7.4
205.12326	7.5
218.09389	2.2
220.14677	53.5
221.15451	100.0
222.15793	6.1
235.13416	1.3
236.10521	73.4
237.10953	5.4
293.17551	7.1
293.20856	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	293.0879
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.99801	0.6
55.01873	3.0
55.27779	0.6
57.03448	15.9
59.01380	9.9
59.60723	0.6
69.03450	0.7
71.01383	8.2
71.24387	0.6
71.51560	1.2
72.99303	2.3
73.02938	1.7
75.00874	2.1
78.95905	1.1
81.03463	0.7
83.01395	2.7
84.02162	2.5
85.02950	100.0
86.02477	1.2
86.03255	1.5
87.00880	17.3
87.04521	3.2
89.02447	2.1
96.96027	1.3
97.47970	0.7
99.00864	1.5
99.04509	1.0
101.02456	3.6
101.06091	4.7
103.00367	1.7
111.00869	6.8
111.04543	0.7
113.02471	1.5
115.00375	1.7
119.03471	0.6
120.01269	1.7
128.03532	0.9
129.01939	14.3
131.03481	1.0
142.05179	0.7
147.02994	5.5
161.02634	0.7
161.04498	0.7
169.08682	0.9
173.01010	1.8
191.01970	18.0
205.03476	3.2
211.31978	0.7
220.04500	0.7
293.05231	1.3
293.08768	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	293.0667
Annotation	Cyclic dehypoxanthine futalosine
Peak:m/z	Relative Intensity
50.89010	3.4
54.48668	2.8
55.01868	4.3
57.03451	10.7
59.01382	15.5
65.03972	20.1
66.79776	3.3
67.01882	6.0
69.03444	7.6
71.01384	5.6
71.54929	5.6
73.02944	4.1
79.05547	3.8
79.95766	3.7
81.03470	17.3
82.35848	3.1
83.01391	27.3
83.05025	12.1
85.02947	13.4
87.00868	30.1
93.03448	7.8
95.05034	10.7
96.95379	5.2
96.96012	100.0
97.02948	9.8
99.04503	7.4
107.01405	3.6
107.05025	29.7
109.02932	17.9
113.02494	6.2
117.07073	4.5
119.05016	9.6
121.02956	6.9
121.06572	23.0
123.04526	6.8
124.01687	3.5
125.02454	53.9
133.06616	16.4
135.04533	6.8
135.08150	11.7
137.02452	76.1
137.06090	5.2
137.09744	6.3
138.03236	17.0
139.04054	3.3
144.04596	5.3
144.05734	3.9
145.06607	9.4
145.08655	3.2
146.03677	3.7
146.06075	3.4
147.04520	11.5
149.02484	6.9
150.03230	7.0
151.04001	56.9
153.09201	4.9
157.06520	3.8
159.04533	7.3
159.08147	12.1
161.02483	4.7
161.06036	13.8
161.09714	4.4
163.07655	18.4
164.07173	11.2
166.02731	10.7
167.03488	90.1
168.03844	4.5
169.01428	7.4
169.12340	5.8
173.06018	5.4
175.07654	9.1
177.05603	9.1
179.07185	3.3
185.06158	7.9
187.03996	8.9
187.07622	12.8
188.04787	14.1
189.05609	3.5
190.05067	5.6
193.08650	7.7
195.10179	9.7
201.05573	4.6
203.07123	87.8
204.07330	4.1
205.05080	27.4
205.08691	12.9
213.05614	4.4
213.11391	16.6
221.08170	84.2
231.06624	51.4
233.05725	7.2
243.28001	3.0
249.07843	9.2
275.05673	7.2
292.57047	21.9
293.06921	92.6
294.07120	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	292.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02959	0.8
59.01380	1.7
61.98813	0.6
63.82582	0.4
70.81541	1.0
70.81881	0.9
71.01376	0.8
73.64355	0.4
96.95992	0.7
136.14381	0.4
156.13930	100.0
157.14284	4.9
166.13211	0.4
176.92006	0.5
177.09134	0.5
192.11516	0.7
200.12938	4.7
220.14668	3.1
221.15453	7.6
236.10493	5.6
292.19952	11.0
293.17661	1.3
293.21225	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	292.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48255	0.4
57.96254	0.4
58.02968	0.9
59.01371	1.7
61.14067	0.4
71.01391	0.5
71.54015	0.7
89.02439	0.5
156.13939	100.0
157.14287	3.5
185.11792	1.0
192.11586	0.6
195.13869	0.5
200.12918	5.7
205.12271	0.5
220.14679	3.5
221.15488	6.6
236.10521	4.7
274.18875	0.8
275.20303	0.4
282.26331	0.5
292.09094	0.5
292.19980	13.2
293.17908	1.2
293.21194	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	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.36446	0.8
59.01377	2.0
61.98807	1.4
66.10567	0.7
71.01382	0.8
73.02947	37.1
73.03356	1.9
74.03291	1.0
79.95750	1.1
98.19843	2.1
103.72328	0.7
111.08167	2.2
129.35716	0.7
138.05409	0.8
153.50940	0.9
195.13850	1.1
247.20544	0.9
263.20163	2.0
273.18594	1.0
275.10699	0.8
291.19659	100.0
292.19983	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83662	0.5
56.81752	0.5
57.03438	1.6
59.01377	24.2
68.37704	0.6
71.01390	0.9
71.08357	0.9
73.03772	0.5
79.05542	0.5
81.20988	0.5
83.05017	1.5
85.02969	0.5
90.03616	0.5
93.03457	0.6
95.05029	1.4
100.32320	0.5
105.00963	0.6
109.06586	1.0
111.08157	12.9
112.08463	0.7
121.03029	0.7
124.78211	0.5
137.09692	1.0
147.04654	0.5
149.09697	0.6
151.47159	0.5
157.15189	0.5
167.10782	2.7
176.04787	0.7
177.12875	2.3
179.10838	2.0
189.05728	0.5
195.13902	6.4
203.10765	3.6
231.10229	12.6
232.10524	1.4
247.20676	3.8
273.18683	1.7
291.19653	100.0
292.19974	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30499	1.4
59.01369	2.4
61.98825	2.4
80.96544	2.3
98.19860	3.3
100.64155	1.5
101.94821	1.7
111.08147	3.4
115.54684	1.5
152.11815	1.9
161.06117	1.7
165.12843	12.8
195.13766	2.0
247.02400	2.6
247.20647	7.7
247.46927	1.7
248.21045	1.8
273.18640	6.5
274.18936	2.1
291.04480	2.4
291.16312	4.6
291.19656	100.0
292.19986	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	291.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14208	0.2
53.78255	0.1
57.01925	0.2
59.01376	0.2
59.96730	0.2
60.97493	0.4
74.99069	1.5
89.10999	0.1
93.00128	0.4
111.08148	0.3
112.64854	0.1
121.03004	0.1
134.99420	0.3
136.97295	0.2
143.05447	0.2
148.99870	0.2
149.00955	2.3
161.06403	1.0
185.11847	0.2
192.98128	1.2
206.99706	0.6
209.01253	4.7
209.03174	0.3
210.01234	0.3
210.99242	0.2
217.07211	2.0
218.07263	0.2
225.00734	0.6
229.20493	0.2
273.18649	0.2
275.05951	0.7
289.07553	2.6
290.07605	0.2
291.09088	100.0
291.19623	4.3
292.09219	11.5
309.10129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.5
59.01376	1.2
61.98809	0.4
71.01356	0.5
71.16799	0.3
71.17121	0.4
72.34974	0.2
80.96523	0.5
81.10521	0.2
82.58890	0.2
82.65611	0.3
83.65043	0.3
83.67992	0.2
87.54038	0.2
93.03511	0.4
95.05060	0.5
96.19747	0.2
106.04243	0.5
111.08167	2.9
119.05009	0.4
121.02973	0.3
121.06602	0.3
125.06091	0.5
135.11765	0.4
148.08919	1.2
148.23734	0.2
149.09676	0.3
150.10478	1.1
151.11263	0.7
163.11316	0.7
165.01912	0.2
165.12843	18.3
166.13177	0.8
167.10760	0.8
175.11292	0.5
176.12064	0.7
177.12828	0.9
179.10808	0.5
191.14430	0.7
193.12369	0.4
195.13940	2.0
200.08772	0.3
217.15894	0.4
223.13243	0.3
235.31683	0.3
247.02368	0.3
247.20657	9.6
248.21040	0.7
273.15878	0.2
273.18594	5.5
274.18939	0.6
291.19653	100.0
292.20007	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	289.083
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
54.20266	3.6
58.02973	23.5
59.01376	11.8
62.61103	3.6
64.74351	3.9
68.83578	3.5
69.48508	27.8
70.02977	12.1
72.00893	7.4
72.04571	4.1
74.02476	90.1
81.86546	3.5
96.96009	10.5
98.02479	20.8
98.20647	4.5
109.02962	8.4
116.03557	24.8
116.04253	4.2
116.04406	4.0
116.05073	35.7
123.00906	5.5
123.04549	6.1
125.02435	11.0
128.73991	3.5
130.06599	5.9
136.07687	10.4
137.02486	5.1
137.08017	9.2
142.06645	9.7
151.00352	11.1
151.04036	7.0
152.00743	11.6
159.09349	4.5
181.30717	3.6
185.21602	4.7
187.77011	4.1
189.01823	4.6
203.06500	7.2
203.08267	90.3
204.08568	6.0
245.09332	100.0
246.09494	6.2
288.99973	4.9
289.06870	7.5
289.09073	11.2
289.11816	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1808
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.76614	0.5
59.01361	0.8
67.06240	0.6
75.25270	0.6
123.00868	0.9
125.02420	0.6
133.02934	0.7
133.58366	0.6
136.07626	0.8
151.00352	1.0
152.00652	0.7
211.03575	0.5
214.29343	0.6
229.15982	3.2
257.15442	8.9
288.99805	1.6
289.18088	100.0
290.18448	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	290.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55287	33.9
65.78619	32.2
68.33640	34.5
72.99312	100.0
78.85114	31.4
79.63633	29.5
83.30003	36.6
89.46191	34.6
98.20663	75.8
105.01936	56.2
136.07742	35.5
163.85928	35.1
194.32567	41.9
297.20758	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.5
55.13677	0.3
59.01369	0.3
71.01381	100.0
71.17078	0.3
71.55769	0.4
72.01704	1.5
85.02913	0.3
87.06705	0.2
96.95991	0.4
97.88081	0.2
101.02457	0.3
121.02930	0.5
122.62045	0.3
160.85562	0.3
175.04012	0.3
175.96019	0.3
183.51031	0.3
183.97374	0.3
185.13235	0.3
211.03595	1.4
219.06602	0.4
227.69167	0.2
291.19736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0718
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.21875	0.7
55.89064	0.7
57.03445	4.1
69.03444	1.4
69.27940	6.4
80.02650	1.0
81.03448	4.4
83.01381	4.8
93.03452	2.9
95.01379	1.5
95.05025	6.5
97.02945	14.9
99.04514	1.7
107.05046	1.1
108.02178	2.3
109.02946	45.4
110.03276	1.5
111.04534	1.0
113.36495	0.6
117.03458	0.6
120.76434	0.6
121.02943	6.9
121.03752	0.9
122.03739	2.9
122.86635	0.6
123.00848	0.9
123.04520	31.9
124.04839	0.9
125.02441	29.4
126.02757	1.7
133.02943	0.9
135.04500	2.7
137.02438	17.6
138.03163	1.6
139.00319	0.7
139.03989	6.6
145.02939	2.1
146.03767	1.4
149.02441	6.8
150.03220	1.8
151.00378	0.8
151.04016	16.2
155.63000	0.7
157.06577	0.9
159.04500	5.2
160.05286	2.1
161.02417	1.4
161.06078	7.3
162.03215	2.5
163.04012	1.9
164.01144	4.2
165.01952	7.1
166.02635	1.2
167.03461	2.9
173.06068	1.8
174.03174	0.7
175.03996	3.8
175.07590	3.0
177.05542	1.1
179.03481	12.2
185.06084	1.9
186.06815	0.8
187.03963	6.6
188.04779	6.1
199.07693	1.1
201.05530	1.2
202.06346	4.0
203.07112	21.8
204.07529	1.0
205.05043	13.0
206.05447	0.7
209.91455	0.7
212.04755	1.2
217.05190	0.9
217.08623	1.1
221.08205	6.8
227.07047	2.9
229.04855	0.9
230.05948	1.0
231.02910	1.2
245.08168	33.2
246.08507	2.9
247.06088	1.4
271.06155	1.2
271.35602	0.6
289.07150	100.0
290.07544	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0878
Annotation	Halfordinine
Peak:m/z	Relative Intensity
57.03434	1.1
67.01881	2.4
69.03452	1.9
70.32298	4.2
71.01408	1.1
79.01885	5.5
81.03431	1.2
86.93027	1.1
95.01389	6.6
95.05025	1.2
97.02969	5.7
106.04242	17.7
108.02195	2.9
109.02963	10.8
109.42287	1.1
121.02921	2.4
123.00884	68.9
123.04502	7.5
124.01169	1.9
125.02444	31.2
126.02859	1.1
136.07678	95.8
137.02452	4.2
137.08018	3.0
139.00351	17.5
139.04019	1.3
141.01932	8.7
149.02463	2.4
151.00368	100.0
151.03871	4.9
152.00732	2.9
163.03926	1.1
164.01123	1.3
165.01883	1.1
174.70523	1.0
175.04013	1.7
179.03455	2.6
187.03975	2.0
188.04793	1.2
201.11009	1.2
203.07108	5.5
205.05049	3.2
221.08167	2.0
227.07138	1.0
245.08205	7.6
263.31894	0.9
280.67743	0.9
288.08768	69.5
289.06918	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	5.8
59.01378	6.4
69.03447	1.8
70.84698	3.6
76.62329	1.6
79.95728	2.2
81.03449	7.8
83.01373	7.0
89.52106	1.5
93.03419	4.2
95.01398	2.9
95.05022	10.1
96.96027	2.2
97.02949	18.3
101.06079	3.7
106.04234	3.9
108.02161	4.6
109.02953	61.8
110.03259	2.0
111.00859	2.3
111.04552	1.7
121.02966	8.8
122.03746	2.3
123.00896	21.0
123.03623	2.1
123.04521	39.1
124.01214	9.2
125.02451	41.8
126.02763	5.5
128.08121	1.8
135.04509	4.0
136.07693	17.4
137.02454	23.0
137.08037	23.0
138.03226	4.5
139.00374	5.1
139.03999	8.0
140.00674	2.4
142.02167	1.8
145.02917	4.3
146.03709	1.8
149.02463	9.0
149.06070	3.6
150.03178	2.0
151.00366	23.6
151.04001	20.4
152.00728	20.0
159.04498	5.0
160.05257	4.1
161.02409	2.8
161.06084	11.0
162.03246	3.7
163.04024	3.2
164.01138	9.9
165.01926	9.4
167.03471	4.3
173.06032	2.0
174.03389	1.7
175.03984	5.6
175.07616	3.3
177.05489	2.2
179.03467	13.6
185.06030	1.8
187.03961	10.6
188.04744	6.8
201.05661	2.9
202.06407	3.2
203.07156	28.1
205.05055	20.8
212.04768	1.5
217.08545	1.7
221.08183	11.6
227.07053	3.2
231.02983	1.7
245.08179	40.0
246.08572	2.0
289.03790	9.0
289.06836	100.0
290.07544	6.7
291.33603	1.4
298.96671	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15892	0.8
56.72425	0.9
57.03456	4.3
58.65435	0.9
60.45598	0.9
61.52359	0.9
69.03436	1.4
69.50179	1.0
69.50831	5.4
74.90813	1.0
75.35561	0.9
79.46545	0.8
80.02674	1.0
81.03443	7.6
83.01382	6.9
93.03428	3.4
95.01374	2.3
95.05020	9.3
97.02953	16.5
108.02149	3.3
108.67867	0.8
109.02952	58.2
110.03250	1.3
113.06084	1.3
121.02962	5.7
122.03727	1.9
123.00886	5.9
123.04527	40.8
124.01195	3.6
125.02448	36.2
126.02788	1.9
133.02927	1.2
135.04539	4.3
136.07649	3.9
137.02444	17.5
137.07994	4.0
138.03183	1.9
139.04016	8.8
145.02931	3.0
146.03697	3.3
147.04477	1.0
149.02463	7.8
150.03137	1.6
151.00435	6.0
151.04005	21.2
152.00667	5.1
153.82292	1.0
154.17314	0.9
157.06567	1.7
159.04521	6.4
160.05229	4.0
161.02411	1.2
161.06073	12.1
162.03149	2.8
163.03966	2.5
164.01170	6.4
165.01935	6.6
166.02670	1.1
167.03416	2.7
172.05122	1.0
173.06036	3.3
174.03239	1.1
175.03976	5.1
175.07652	4.4
177.05527	1.0
179.03487	10.7
180.03952	1.2
185.05922	1.5
187.04015	8.8
188.04773	7.8
199.07491	1.5
201.05513	1.2
202.06284	3.3
203.07140	21.1
204.07359	1.1
205.05045	17.9
209.48059	0.9
217.08601	1.3
221.08141	8.1
227.07025	3.7
245.08171	41.7
246.08334	1.8
247.05994	2.0
271.06033	1.5
289.07086	100.0
290.07468	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	287.2228
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
51.63208	0.5
57.03456	1.1
59.01364	1.0
61.17910	0.5
67.01850	0.6
71.01386	0.7
71.04101	1.1
79.01883	1.1
79.82610	0.5
89.02477	0.5
95.01379	1.5
99.08126	2.6
106.04237	3.6
108.02140	0.6
123.00884	14.7
123.04488	0.5
125.02436	8.8
129.09238	0.6
131.25983	0.5
132.41002	0.5
135.04500	0.9
136.07683	18.7
139.00369	3.4
141.01964	2.9
141.12843	1.9
143.93185	0.5
151.00363	19.9
161.02405	0.7
241.21710	1.1
269.21277	3.5
274.74146	0.5
285.20786	2.0
286.98175	0.7
287.01956	0.7
287.05035	1.9
287.22263	100.0
288.08777	15.7
288.22617	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	288.0877
Annotation	Halfordinine
Peak:m/z	Relative Intensity
55.40707	0.6
59.01371	2.5
60.02629	0.6
66.10413	0.6
67.01875	3.4
68.99559	0.7
69.03442	1.0
69.91726	1.3
69.92139	2.2
71.01374	1.1
72.99304	2.0
74.02469	0.9
79.01883	6.0
84.00919	1.1
88.04011	0.9
95.01383	7.6
97.02988	1.5
98.02509	0.9
106.04240	15.7
108.02145	2.5
111.00887	0.8
114.05612	1.2
123.00883	64.1
124.01227	2.2
125.02459	1.5
126.02808	1.8
127.04008	0.7
128.03497	0.8
130.08743	8.3
136.07678	91.4
137.08057	4.6
139.00366	18.0
141.01941	7.9
146.57094	0.6
149.10043	0.6
151.00366	100.0
152.00700	3.2
168.04134	0.8
180.07355	0.7
199.06203	0.9
288.08780	75.4
289.09067	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	287.1501
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
57.03455	4.2
59.01379	100.0
60.14022	0.7
63.95573	0.7
63.99053	0.7
70.54367	1.9
70.54724	0.8
81.03449	0.8
83.01405	1.4
95.01393	1.1
96.96011	14.5
98.20097	1.0
99.04528	2.2
105.03483	0.7
106.04244	1.3
107.05032	2.4
123.00900	5.7
123.04499	0.7
124.50867	0.6
125.01514	1.6
125.02444	33.5
126.02699	0.9
135.04527	9.6
136.07681	1.5
139.00363	1.4
151.00368	9.1
161.02412	9.5
165.12862	1.2
167.10835	1.4
177.05551	1.4
192.00966	0.6
207.13846	3.4
209.11830	6.4
219.06577	0.7
225.14963	7.0
227.12886	53.7
228.13234	2.2
251.12823	1.2
269.04510	1.3
269.13928	13.9
270.14215	0.9
272.89182	0.7
287.02274	1.2
287.05716	9.2
287.15002	83.6
288.05783	1.4
288.08807	1.7
288.15283	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	287.056
Annotation	5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
52.26506	0.4
57.03453	1.0
59.01378	0.7
60.06207	0.3
63.02393	2.5
65.00325	12.3
66.00677	0.4
68.27043	0.3
69.53715	2.0
71.02921	0.3
73.33510	0.3
79.19958	0.3
81.03462	0.4
83.01384	6.3
95.01398	0.5
95.05030	0.3
96.95998	0.3
104.47652	0.3
105.98776	0.3
107.01393	17.1
107.05050	0.5
107.69010	0.3
108.01720	0.7
108.99322	0.4
109.02960	1.8
123.00906	1.0
124.01625	0.4
124.66267	0.3
125.02445	8.8
133.02951	2.2
134.03667	1.3
135.04524	100.0
136.04840	3.4
136.07689	1.1
136.27983	0.3
137.02431	0.6
139.00417	0.4
149.02373	0.4
151.00366	83.0
152.00717	3.1
153.00768	0.5
161.02409	2.7
165.01888	0.6
168.00644	0.4
169.01448	1.7
177.02084	0.5
201.04442	0.4
215.28206	0.3
243.14896	0.5
269.04651	0.9
271.04404	0.6
287.04922	19.2
288.05386	1.0
288.08826	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0561
Annotation	naringenin dibenzoylmethane tautomer
Peak:m/z	Relative Intensity
53.22306	0.4
56.96644	0.4
57.03449	16.5
57.20175	0.4
58.03773	0.4
59.01377	6.5
59.63831	0.5
65.00307	0.8
70.92900	0.9
71.01357	0.5
79.01892	0.7
81.03452	2.5
83.01383	4.0
93.03432	0.7
95.01393	0.9
95.05026	1.3
96.24229	0.4
96.96013	2.4
97.02945	0.4
105.03488	3.9
106.04266	0.9
107.01368	0.6
107.05032	3.2
109.02979	0.6
119.04958	0.4
123.00874	6.5
125.02448	100.0
126.02817	2.4
131.05017	0.8
133.02960	1.7
135.02959	0.6
135.04523	12.0
136.07668	1.8
139.00412	2.2
141.01881	0.5
145.06583	0.5
147.04573	0.7
149.02440	1.5
149.05963	0.5
151.00365	11.3
151.03979	0.5
159.04495	0.6
161.02448	32.4
162.03035	1.5
175.03996	1.5
177.05576	5.8
178.99821	0.5
183.04585	0.5
185.02423	0.5
201.05542	2.8
203.03455	0.7
207.29445	0.4
219.06689	0.6
225.05626	0.9
227.03467	0.9
227.12875	3.0
229.01494	0.5
231.05611	1.1
243.06604	2.3
259.06186	3.1
269.04572	2.7
269.14041	0.6
287.05548	13.7
287.09445	0.8
287.14951	4.1
288.06009	0.8
288.08862	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	287.0562
Annotation	naringenin dibenzoylmethane tautomer
Peak:m/z	Relative Intensity
54.42879	0.4
57.03448	16.2
59.01383	4.3
60.05049	0.3
62.96407	0.6
66.01958	0.3
67.67013	0.4
71.01395	0.4
75.83488	0.3
76.96685	0.4
77.03965	0.5
81.03462	2.5
83.01395	4.2
94.03876	0.4
95.05028	1.5
96.96008	1.1
99.04539	0.5
105.03464	5.3
106.04276	0.6
107.05065	0.5
113.50835	0.4
121.02985	0.8
123.00892	3.8
124.01723	0.6
125.02451	100.0
126.02790	2.9
130.04272	0.4
133.02982	1.1
135.04543	3.6
136.07687	1.9
139.00339	1.0
145.06610	0.5
147.04565	0.5
149.02446	1.4
151.00375	4.5
157.06648	0.5
159.04501	0.4
161.02446	34.3
162.02998	1.8
175.03998	1.4
177.05574	5.7
183.04596	0.6
197.06064	0.7
199.03992	0.4
201.05603	3.1
203.03508	0.9
219.06680	0.6
225.05569	1.0
227.03545	1.1
227.12852	2.8
229.01454	0.8
243.06700	1.2
257.04614	0.8
259.02664	0.6
269.04578	3.6
269.14114	0.5
272.06937	0.6
287.02087	2.1
287.05655	9.9
287.09015	0.8
287.15283	2.7
287.18060	0.6
288.06006	0.8
288.08722	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	287.0562
Annotation	naringenin dibenzoylmethane tautomer
Peak:m/z	Relative Intensity
56.25088	0.3
57.03448	16.0
59.01373	4.2
62.96429	0.5
67.01881	0.4
69.22736	0.6
69.23156	2.7
77.03970	0.6
81.03458	2.2
83.01389	4.5
93.03432	0.6
95.01398	0.6
95.05030	1.4
96.96011	0.6
98.19827	0.7
105.03448	4.5
107.05043	1.1
109.02940	0.5
121.02953	0.5
123.00903	3.3
124.01675	0.5
125.02447	100.0
126.02778	2.7
132.02203	0.6
133.02953	1.4
135.04486	3.3
136.07683	2.1
139.00349	0.5
145.06677	0.4
149.02464	1.4
151.00369	4.5
151.03946	0.8
153.05637	0.7
161.02440	33.4
162.02907	1.4
169.01453	0.5
173.06053	0.5
175.04030	1.4
175.18741	0.4
177.05563	5.5
183.04520	0.6
187.32643	0.4
197.06075	0.6
199.04047	0.7
200.04765	0.4
201.05565	2.3
202.88683	0.4
203.03423	0.9
209.11874	0.4
225.05559	0.8
227.03465	0.8
227.12946	2.3
229.01544	0.6
229.05090	0.4
243.06644	1.5
245.04475	0.6
257.04623	0.7
259.02573	0.5
269.04581	3.5
269.14005	0.6
272.06940	0.7
286.99167	0.4
287.02072	2.3
287.05624	9.9
287.09064	0.9
287.15091	3.1
288.05939	0.8
288.08875	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	287.0561
Annotation	naringenin dibenzoylmethane tautomer
Peak:m/z	Relative Intensity
53.53262	0.3
54.47504	0.3
57.03448	15.2
58.53205	0.3
59.01397	0.3
69.03458	0.8
71.09600	0.6
72.99332	0.4
77.03979	0.3
78.96610	0.3
79.01904	0.6
81.03460	2.3
83.01382	4.2
89.62399	0.3
93.03451	0.4
95.01401	1.0
95.05045	1.4
96.96000	0.3
97.02966	0.6
105.03465	3.9
106.04266	2.1
108.02209	0.4
109.02993	0.6
117.03445	0.3
119.05019	0.4
121.02947	0.9
123.00890	8.6
124.01613	0.5
125.02447	100.0
126.02803	2.5
133.02986	1.0
136.07672	12.4
137.02428	0.5
139.00345	2.3
140.58961	0.3
141.01950	1.3
145.06586	0.5
147.04485	0.9
149.02402	2.0
151.00366	13.2
151.04030	0.7
159.04538	0.8
161.02443	34.0
162.02988	1.7
168.03000	0.5
169.01442	0.8
169.06593	0.6
171.04488	0.7
173.06021	1.0
175.04062	1.8
177.05566	5.6
178.05986	0.4
180.03070	0.6
183.04507	1.4
185.02399	0.8
197.06032	2.0
199.04005	1.2
201.01912	1.1
201.05550	3.6
203.03510	0.9
213.05565	1.2
215.07173	0.4
217.05037	0.4
219.06612	1.6
225.05598	2.0
227.03482	2.7
228.04039	0.5
229.01434	1.5
241.05101	0.9
243.06630	1.6
245.04485	0.8
263.78079	0.4
269.04541	10.4
270.04883	0.8
285.04044	0.3
287.02130	0.8
287.05563	13.0
287.10510	0.7
288.06094	0.7
288.08762	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	285.2072
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
50.85677	0.6
51.64234	0.7
52.57044	0.7
57.03436	1.0
59.01371	1.2
61.98826	1.2
65.00314	0.9
71.47148	0.9
78.95911	1.2
83.01392	0.9
84.99315	0.8
85.02952	1.6
96.96001	0.8
97.67528	0.7
107.01392	1.1
109.02921	0.8
123.04527	21.5
124.04903	0.9
127.03963	0.8
128.84937	0.7
133.02968	3.8
149.02466	1.0
151.00327	2.0
158.48672	0.7
166.40056	0.7
175.03990	0.8
199.04102	1.0
221.19173	0.7
223.20657	70.6
224.20999	4.8
241.21666	1.6
267.19638	40.4
268.19974	2.4
285.04065	25.4
285.20706	100.0
285.27213	3.2
286.04416	2.1
286.21002	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	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
57.03436	2.0
59.01369	4.3
63.80451	1.6
65.00333	2.7
69.18530	13.2
69.18948	5.5
92.64159	2.1
108.72263	1.7
120.99339	3.2
123.04467	1.9
123.09179	2.0
125.02458	4.7
136.07733	1.9
240.23251	3.1
286.04376	17.1
286.07303	9.5
286.23886	100.0
287.01752	2.1
287.21841	3.8
287.24408	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	287.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33773	0.3
53.76974	0.4
54.22191	0.3
56.05676	0.4
57.03458	0.4
59.01374	3.6
60.47383	0.3
61.65107	0.3
61.95841	0.4
67.01891	0.6
69.03469	0.5
69.59558	0.7
69.59964	1.6
71.01379	1.5
72.98957	0.5
72.99303	2.9
75.00870	28.0
77.46844	0.4
79.01888	0.8
81.98727	0.3
87.00859	0.8
89.02438	5.2
95.01389	1.3
96.95994	0.6
97.02937	0.4
106.04236	2.2
107.01386	6.1
111.00922	0.5
117.01947	2.1
123.00887	9.9
125.02449	14.7
132.03113	0.4
135.02994	100.0
136.03340	1.6
136.07674	14.6
139.00366	2.8
141.01912	1.3
149.68536	0.4
150.99301	0.3
151.00360	13.6
169.01418	15.4
170.01852	0.3
181.95665	0.3
197.04527	1.1
287.04147	2.4
287.07840	1.0
288.08743	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	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
51.19174	0.4
66.50089	0.4
75.05651	0.4
87.83399	0.4
106.04188	0.6
107.05028	100.0
108.05351	3.4
111.11131	0.4
119.60102	0.4
124.92801	0.5
147.08116	0.5
163.11284	97.5
164.11609	4.2
214.64513	0.4
283.17029	86.4
283.26376	21.9
284.17355	8.0
284.26855	0.5
291.22296	0.4
294.47205	0.4
296.96042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
58.62536	0.4
61.89833	0.3
63.02391	0.8
65.00320	2.6
71.28777	0.4
71.29111	0.7
77.12679	0.3
77.92442	0.4
83.01389	1.6
96.96027	0.6
105.03449	0.9
107.01385	4.5
121.02945	1.3
123.04521	0.8
132.02179	0.9
133.02951	26.4
134.03307	1.0
149.02411	3.8
151.00369	7.9
152.00706	0.7
157.47218	0.4
171.04482	0.6
175.03998	4.9
185.06015	0.7
189.05717	0.5
197.06046	0.5
198.03181	0.4
199.04002	3.9
201.01938	1.9
211.03871	0.4
213.05522	1.2
215.03522	0.6
217.05042	2.3
223.04045	0.6
226.10474	0.5
229.05046	0.8
239.03470	0.6
241.05078	1.1
243.03033	0.7
251.53795	0.4
257.04565	0.9
267.02927	0.6
285.04028	100.0
286.04391	8.0
299.04932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.6
58.11011	1.4
59.01378	100.0
60.56797	1.2
64.86204	1.4
70.94830	4.1
71.07233	1.3
72.00090	1.5
78.03586	1.5
79.95735	2.6
81.03470	1.5
85.02945	1.8
96.95988	4.5
97.02986	1.6
123.04526	15.9
125.02468	1.8
128.75970	1.4
149.02382	1.7
171.02948	1.7
175.04016	2.2
181.12334	86.3
182.12659	4.3
190.31432	1.6
197.15480	1.5
199.03963	2.8
203.39084	1.5
211.13480	1.9
212.07695	1.4
213.05539	1.8
217.05042	3.1
225.11327	14.1
226.10306	2.3
235.80473	1.5
239.96851	1.4
241.04950	2.4
241.52968	1.4
243.12471	3.0
243.15997	2.3
257.04477	1.8
285.04141	30.6
285.07306	2.1
285.13483	3.3
285.17099	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	283.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32894	1.5
57.77391	1.1
58.42765	1.0
59.01381	100.0
63.48011	0.9
67.05523	1.2
71.01366	1.7
79.95731	1.2
85.49670	1.1
96.96017	3.5
101.02466	1.5
121.02946	2.3
124.05330	1.7
135.11807	2.0
158.05034	1.2
179.10774	83.6
180.11105	5.2
189.36197	1.3
194.53378	1.2
211.04063	1.9
223.09712	4.5
223.89784	1.0
232.69897	1.1
239.03622	1.1
240.04248	1.7
241.05251	1.3
241.14343	1.3
268.03680	1.8
271.29608	1.2
283.06134	4.9
283.10843	1.1
283.26431	85.6
284.26801	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	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20820	1.4
57.03450	2.2
59.01377	6.4
69.03455	2.0
69.61462	11.0
71.01371	9.4
72.02161	15.6
83.05022	6.4
85.02972	1.7
87.04521	15.7
92.70698	1.5
96.96015	5.5
97.06576	3.6
98.03738	5.0
99.04510	3.7
110.11943	1.4
111.08153	5.3
125.02460	5.6
136.63100	1.6
137.61218	1.6
139.11337	2.0
151.11249	2.0
165.12840	6.2
167.14383	6.3
169.01427	4.5
195.13875	4.2
197.15472	16.8
211.13493	1.9
221.15462	4.9
239.16513	100.0
240.16830	4.8
241.14450	6.8
283.26459	13.8
284.07217	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03189	0.5
57.03444	4.9
59.01378	19.1
60.43596	0.3
69.29843	0.8
69.30251	2.5
72.91962	0.3
73.02927	0.6
75.60085	0.4
83.05022	5.3
88.24432	0.3
90.85452	0.4
97.06582	3.8
98.19958	0.8
121.06565	0.5
123.08135	1.2
126.29617	0.3
135.91458	0.4
137.09712	2.1
139.11298	0.8
148.11305	0.4
149.09685	2.1
151.11252	1.0
163.11279	7.9
164.11502	0.5
165.12819	1.5
167.14374	0.9
177.12845	1.1
179.10777	0.9
179.14377	3.5
181.44507	0.4
190.77864	0.3
193.67783	0.4
195.13895	20.5
196.14282	0.9
223.13385	18.6
224.13770	0.8
241.14435	100.0
242.14769	5.1
283.15475	4.5
283.26376	1.7
290.35977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0844
Annotation	Guanosine
Peak:m/z	Relative Intensity
59.01375	0.6
59.36774	0.2
61.65223	0.2
62.87052	0.2
64.79816	0.2
66.00968	0.6
68.66201	0.2
69.12826	0.2
69.57418	0.3
69.57829	1.2
71.01390	0.6
72.01704	0.3
72.73154	0.2
78.95939	0.3
82.04111	0.9
85.02928	0.3
89.02409	0.3
98.20547	0.4
101.02466	0.5
107.03638	3.9
108.02041	10.4
113.02467	0.2
115.00441	0.2
123.04536	0.4
126.03109	3.6
132.02995	0.4
133.01559	30.5
134.01938	0.5
150.04207	100.0
151.02779	0.2
151.04710	1.7
169.58440	0.2
203.38129	0.3
282.08429	26.1
283.08646	1.3
283.26370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.7
61.60245	0.6
69.84276	3.9
71.01389	1.6
72.00906	7.9
72.99300	1.0
73.02933	1.2
74.02477	11.1
78.95884	2.0
79.95734	39.3
80.96511	1.2
96.96021	8.8
96.96970	4.9
101.02423	1.4
107.05034	1.1
108.04485	0.9
116.05062	28.2
117.05448	1.2
121.02941	0.9
122.27485	0.8
123.04564	1.1
125.02455	0.9
130.06622	1.6
130.12756	0.9
135.04552	1.2
142.06619	85.0
143.06966	4.3
149.02339	1.1
151.03947	0.8
158.06107	3.0
159.09258	7.4
169.01375	1.2
179.03456	5.0
179.04863	1.0
186.05554	2.8
195.06604	0.9
196.09875	0.9
203.08250	36.3
204.08571	1.7
205.05206	0.8
209.01500	1.4
210.02278	1.6
222.02287	45.1
223.02536	2.7
223.08208	1.8
234.71817	0.7
238.01773	4.4
239.05179	1.2
239.09167	0.8
241.00497	4.2
283.03943	100.0
283.08667	3.3
283.26416	49.5
284.04202	4.7
284.07361	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99062	1.2
57.03443	2.4
59.01382	100.0
66.90470	1.4
70.96741	1.9
70.97094	3.1
71.01400	3.7
71.05013	4.7
73.02944	4.6
81.03452	3.2
82.57180	1.4
85.02956	1.3
87.00877	23.3
89.02436	1.5
95.05025	2.7
96.95997	4.7
101.02431	1.7
107.05051	3.0
120.05814	2.4
121.06574	4.4
121.62067	1.3
124.83005	1.7
137.02472	2.0
146.07332	2.6
152.04739	1.8
157.06602	1.5
159.11768	3.5
161.04558	1.9
161.09720	37.5
161.13324	7.9
162.10107	2.3
187.11301	66.2
188.11578	4.0
189.09241	10.1
189.93477	1.4
205.12288	5.5
219.13882	19.9
221.11856	2.6
237.15036	1.9
267.12375	3.2
281.10187	1.5
281.14117	4.9
281.24847	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	281.2485
Annotation	Petroselinic acid
Peak:m/z	Relative Intensity
69.80222	3.4
83.26856	0.6
188.32707	0.5
260.31256	0.7
281.24844	100.0
282.25269	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	282.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23919	2.2
52.56583	2.2
59.01368	9.5
70.34002	2.0
71.00995	3.0
71.01380	36.3
71.17722	4.7
72.11683	2.1
72.99290	2.3
73.02956	2.1
79.95744	2.8
80.96528	2.5
87.00866	2.5
88.04040	41.8
91.01884	7.7
96.96004	12.0
99.00833	2.4
107.05025	2.9
108.02177	36.4
114.01967	46.2
115.00371	61.4
121.02945	3.6
123.00887	6.8
123.04524	56.6
124.04852	3.2
132.03033	99.7
134.34517	2.0
135.04536	6.5
137.02438	2.6
138.03206	5.3
149.02455	3.1
150.05606	6.0
151.02744	12.1
151.03931	4.0
151.07599	2.3
161.02499	2.6
161.04781	3.1
165.05589	2.6
166.05099	62.8
167.03499	59.2
167.05026	3.2
167.05498	2.5
169.01405	3.4
178.05074	11.1
179.03513	18.2
179.05864	3.9
179.07303	2.4
194.08214	4.7
195.06514	2.7
220.06148	19.8
223.08250	2.6
238.07172	14.8
239.05623	9.9
264.05075	8.5
282.06189	100.0
283.04276	4.8
283.08789	3.1
283.26404	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	281.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59954	1.1
57.03445	8.9
59.01108	1.8
59.01379	21.4
63.05783	1.0
69.47021	4.5
69.47424	3.3
114.31453	1.2
119.08646	7.4
121.06598	2.1
137.09712	41.3
138.10034	3.5
161.09665	2.4
164.52596	1.1
177.12883	7.0
221.11848	6.4
239.12875	100.0
240.13220	7.9
281.14032	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	281.1394
Annotation	Carolenalol
Peak:m/z	Relative Intensity
50.51699	1.3
55.01873	2.8
57.03445	18.2
59.01381	18.6
65.03960	5.0
69.03465	3.0
71.01392	8.5
71.02698	3.0
71.05020	3.2
73.02980	2.4
75.00832	1.8
77.44718	1.3
79.95733	3.3
83.01418	1.9
83.05019	17.5
85.02940	3.7
87.00391	2.2
87.00876	22.7
89.02445	2.7
93.03469	5.2
95.01378	1.9
95.05019	7.1
96.96009	64.3
97.02943	2.4
101.02418	2.3
101.06069	2.5
107.05035	1.7
111.04487	7.9
111.08147	6.9
113.02451	3.9
119.05019	5.2
119.08614	1.8
121.02943	2.5
121.06594	9.0
123.07255	2.1
123.08163	43.4
124.05299	3.5
125.02478	3.5
134.03731	19.1
135.02968	2.0
135.08182	2.8
137.02451	5.9
137.06125	2.2
137.09717	5.4
138.06821	2.0
139.07649	8.5
145.10228	5.8
149.06085	6.5
149.09740	1.9
151.04045	1.6
151.07639	6.7
153.09209	5.5
163.04018	5.7
165.02052	1.5
169.01434	2.6
169.08728	3.6
169.10225	8.2
171.10277	2.8
171.11781	47.8
172.12175	2.7
177.05498	1.9
177.09146	1.4
178.02699	13.7
189.12848	15.8
193.05058	34.3
194.05447	2.2
201.11263	6.4
201.12862	14.7
207.02890	2.2
207.13895	9.9
219.13869	8.6
226.12334	1.6
237.07973	6.4
237.14949	70.6
238.15285	5.0
281.03815	1.2
281.07025	30.6
281.13937	100.0
281.24826	6.4
282.07520	2.8
282.14240	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	281.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09039	0.7
55.01877	2.1
57.03450	1.8
58.00608	1.5
59.01382	35.7
59.86565	0.7
64.10678	0.7
71.01382	27.1
71.29498	1.1
72.99288	2.1
73.02939	4.4
74.02496	1.0
82.04111	0.9
83.01404	3.3
85.02945	10.8
87.00871	2.2
88.18475	0.7
89.02449	23.5
95.01394	3.0
96.96031	2.1
99.00890	2.8
101.02442	18.4
107.03642	3.2
108.02043	10.2
111.00920	0.9
113.02455	13.6
119.03505	10.7
119.07175	1.9
121.94632	0.8
126.03114	3.1
131.03503	1.1
132.03079	0.8
132.36952	0.8
133.01567	30.6
133.02576	1.6
133.05066	1.7
137.02507	0.8
143.03488	2.1
150.04214	100.0
159.03027	1.1
161.04536	7.8
166.05141	0.8
179.05646	2.7
220.09834	0.8
243.06201	1.2
281.03583	1.1
281.08817	4.4
281.12378	6.8
281.24850	0.9
282.08444	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	281.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
64.50583	1.3
70.31633	1.1
70.50555	3.5
71.01384	10.3
73.02955	1.3
79.95728	1.7
80.96532	2.8
85.02950	4.1
87.00872	2.4
88.04057	1.6
89.02441	4.5
93.03487	1.4
96.96011	20.3
98.20518	1.3
101.02446	4.3
113.02423	4.0
119.03512	1.6
119.05008	2.5
123.04488	2.3
123.85307	1.4
125.02444	1.6
129.01923	2.4
132.03012	5.1
135.03073	1.5
135.04536	1.6
137.02435	1.7
149.02379	1.5
150.04195	5.3
161.04588	1.8
162.36179	1.1
166.05092	1.4
188.07126	3.3
188.89178	1.2
195.89211	1.1
201.07591	2.1
221.10216	2.6
281.03412	3.6
281.06934	12.4
281.11554	4.8
281.24863	3.4
282.06110	2.8
292.15634	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01184	4.0
54.74132	4.8
56.38186	5.4
59.01381	27.5
70.47296	15.3
70.47649	5.8
71.01386	7.2
78.47760	4.6
96.96012	100.0
98.95592	49.4
98.96267	5.6
98.96468	5.6
107.15633	5.0
137.09697	13.2
147.57048	6.1
154.39182	5.3
163.11276	20.5
166.80363	5.4
187.11378	5.3
199.13487	5.6
217.12334	22.9
218.12851	4.6
222.48579	4.7
235.08232	10.1
235.13365	13.3
249.17552	5.1
279.09048	44.3
279.12021	8.2
279.23236	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1964
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
59.01380	7.0
61.52644	1.3
65.40881	1.3
67.85792	1.5
70.58173	3.1
70.58538	3.3
71.01382	2.1
83.01357	1.7
101.02453	1.6
122.44782	1.5
161.04340	1.7
195.13918	15.7
196.14299	1.7
203.10735	1.7
205.12430	1.6
223.13406	10.9
247.09784	7.9
256.13208	5.1
261.18588	8.2
279.19672	100.0
279.23196	14.6
280.20038	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01375	1.0
67.22877	0.9
75.96370	1.0
96.95979	1.8
98.19879	2.9
119.01373	1.3
134.63094	1.0
135.00870	1.2
159.78957	0.9
163.00368	1.5
165.08778	1.1
279.05447	1.4
279.23267	100.0
280.23642	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2173
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01378	17.5
71.55219	1.2
96.95972	0.7
167.42046	0.8
185.61128	0.8
205.15932	4.1
207.83630	0.8
230.98897	0.8
233.19081	2.9
277.18124	38.9
277.21713	100.0
278.18414	2.4
278.22049	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	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68986	0.5
55.09645	0.4
59.01378	7.9
61.98806	0.4
71.01350	0.9
77.23380	0.4
77.56738	0.5
106.39900	0.5
108.95289	0.4
121.02957	0.8
130.20226	0.4
137.08005	0.5
141.79272	0.4
205.15935	1.5
233.19067	1.2
259.20416	0.8
277.18176	13.4
277.21689	100.0
278.18286	1.8
278.22031	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01372	2.1
62.60445	0.5
67.34540	0.5
71.01382	0.7
72.15096	0.5
104.56397	0.5
119.14814	0.5
201.39876	0.6
259.20850	0.7
277.21716	100.0
278.22061	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	279.1084
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
57.03426	1.1
58.00588	2.1
59.01380	52.7
59.20578	0.7
65.51935	0.7
69.64656	3.9
71.01385	30.4
71.05016	4.4
72.99311	2.9
73.02975	0.8
75.00884	1.4
78.01499	0.6
78.67323	0.6
79.90900	0.7
79.95731	1.1
80.96509	1.2
83.01391	2.0
85.02956	8.5
85.44456	0.7
87.00896	2.9
89.02448	32.9
93.03506	0.8
95.01401	2.7
96.96008	3.9
99.04520	23.4
100.00414	1.7
101.02448	20.9
107.05101	0.8
113.02446	13.1
116.01842	0.7
117.05582	35.0
118.05135	0.8
118.05914	0.6
119.03511	14.0
123.04511	1.6
125.02458	0.8
127.03952	0.7
131.03526	1.3
134.03673	1.5
134.04720	2.5
135.04538	1.2
141.19351	0.7
143.03502	0.9
144.02959	1.0
149.04564	1.0
159.06587	1.7
160.02635	8.8
161.04527	1.6
161.08226	0.9
163.04243	0.8
179.05627	2.9
179.84079	0.6
191.07242	0.8
236.09245	1.2
279.05588	3.6
279.10849	100.0
279.23282	3.4
280.08234	1.7
280.11252	6.0
290.56268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.166
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
56.52137	0.4
59.01147	1.1
59.01476	4.4
61.63677	0.4
63.65475	0.4
70.67788	1.0
71.01463	0.6
103.02324	2.0
121.03279	4.0
140.57280	0.5
146.99519	1.5
147.08469	5.1
149.01080	0.7
165.00443	12.7
166.00484	0.8
180.99998	1.1
189.04144	1.1
191.05650	12.3
191.07385	0.8
205.07254	1.6
205.16006	1.7
207.05200	0.9
217.07249	0.7
231.08746	2.4
233.10326	100.0
234.10463	7.8
259.15500	1.2
277.16519	90.7
277.21384	29.4
278.16681	8.0
278.21622	2.2
291.60767	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1807
Annotation	Litsealactone B
Peak:m/z	Relative Intensity
59.01377	44.0
60.31701	0.6
62.29732	0.6
68.99817	0.7
70.39114	2.1
71.01354	0.9
89.00343	0.6
95.09030	0.6
98.19925	0.8
111.95437	0.6
137.08102	0.7
175.11301	1.0
184.24455	0.6
204.03717	0.6
205.15976	12.9
206.16295	0.8
221.11786	1.1
233.19107	6.2
277.18094	100.0
277.21527	12.2
278.18448	7.6
278.21841	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	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26927	0.3
59.01372	1.9
65.00304	0.3
68.47867	0.3
71.01382	1.2
75.45393	0.4
83.21574	0.3
85.02971	0.5
93.03455	0.4
117.25237	0.3
121.02921	0.3
136.07693	0.5
137.08038	0.7
161.02226	0.4
233.15524	0.5
233.22720	0.6
259.20779	0.4
275.20126	0.7
277.21707	100.0
278.22031	7.9
292.86877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68840	0.5
56.07590	0.5
59.01377	3.0
70.16692	0.5
71.01378	1.5
71.17049	0.9
73.02952	0.6
83.05054	0.8
85.02948	0.7
89.00361	0.7
97.06580	1.1
101.02470	0.6
115.00444	0.5
116.98167	0.4
121.02985	1.1
136.07674	0.6
137.08032	1.0
160.06767	0.5
177.12961	0.5
189.63245	0.5
195.13815	0.8
233.00647	0.6
259.20605	0.7
277.18246	9.9
277.21707	100.0
278.18851	0.9
278.22040	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	275.2016
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
59.01357	8.1
66.80302	8.0
71.08246	17.2
72.94199	7.4
111.62950	7.5
136.07683	30.2
189.73378	8.9
195.45432	8.8
202.99852	9.2
231.21176	100.0
233.69185	10.5
275.20154	66.3
275.43698	8.0
276.05264	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	277.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04684	1.2
57.03442	1.3
58.02975	29.4
58.03266	1.4
59.01379	5.6
67.21576	1.1
70.48341	1.2
71.01376	8.0
71.02088	2.3
73.02944	1.3
74.02440	1.1
80.96533	1.3
84.04538	24.0
85.02947	6.7
86.02501	1.7
92.05057	34.8
96.96008	6.0
101.02458	3.3
113.02459	2.9
115.04004	3.8
116.05057	1.3
118.06614	1.3
120.04546	9.8
124.99139	4.7
125.02450	2.6
128.03540	100.0
128.05064	3.9
129.03876	2.7
130.06514	2.2
131.03740	6.0
144.04543	29.4
146.02495	8.3
146.06117	11.6
147.03175	1.7
148.04041	63.5
149.04361	2.5
153.45428	1.3
161.04460	2.4
172.04099	2.1
173.07220	10.2
174.05553	2.4
190.05109	4.7
215.08224	27.4
233.09378	2.6
235.07269	2.7
259.07162	5.2
277.03873	1.8
277.08276	36.7
277.12805	1.5
277.21808	9.6
281.95679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0928
Annotation	Tuliposide A
Peak:m/z	Relative Intensity
55.01873	6.9
55.94097	2.3
57.03449	6.3
59.01381	39.1
71.01382	100.0
71.05026	4.4
72.99287	2.5
73.02950	30.8
83.01389	9.6
85.02947	48.8
89.02435	11.9
92.05051	6.5
95.01379	7.4
97.02979	2.3
98.19884	7.1
99.00883	10.9
101.02436	51.7
102.44484	2.3
113.02454	35.2
115.04008	41.2
119.03520	2.9
121.02989	2.3
125.02455	3.8
128.03551	7.3
144.04576	4.3
148.04024	8.1
159.02986	11.0
161.04556	28.6
195.33769	2.2
215.08266	3.1
233.10379	6.3
277.09360	15.8
277.12051	3.8
277.21707	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	273.0769
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.52856	0.5
51.78686	0.5
57.03439	1.8
59.01371	0.7
62.22659	0.5
65.00326	2.6
70.96423	1.0
70.96746	0.6
77.24137	0.5
81.03457	33.9
82.03796	0.6
83.01385	9.3
93.03466	4.8
95.05034	1.5
95.30218	0.5
99.04536	0.9
102.14185	0.5
107.01392	3.0
109.25898	0.5
114.23331	0.5
119.05025	31.1
120.05335	1.3
123.04525	45.7
124.04874	1.3
125.01538	0.7
125.02443	14.1
125.03323	1.1
132.96957	0.6
135.04509	0.9
151.00374	5.4
166.02643	1.1
167.03493	100.0
168.03902	2.9
171.04475	0.7
179.03510	4.9
187.07686	1.3
189.05579	3.5
229.08611	2.0
255.06609	0.7
273.07690	76.1
274.08032	3.9
279.70865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
65.40488	0.4
66.00035	0.4
69.02294	0.4
71.01375	0.9
71.55526	0.6
72.99363	0.6
77.63245	0.4
78.95879	0.4
81.03462	0.5
82.13857	0.4
83.01396	1.0
83.05020	1.3
83.05492	0.4
85.02959	0.9
87.00881	0.6
93.03435	1.6
93.96608	0.4
96.95976	0.6
97.06535	0.5
99.04517	100.0
100.04853	2.1
107.34454	0.4
111.00880	4.6
111.04515	1.8
114.04032	0.5
123.08150	0.9
127.03926	0.5
154.99844	1.7
155.03502	1.9
167.07166	3.0
173.04471	1.9
186.30759	0.5
187.03981	0.8
201.05624	0.4
211.06084	1.6
213.07631	0.4
255.04996	2.0
270.60855	0.5
273.03796	1.0
273.09906	5.3
273.12683	0.9
274.09830	0.5
284.39725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.3
64.39053	0.4
71.01372	0.9
83.05022	0.5
87.07607	0.4
91.08457	0.4
98.20635	1.4
108.72599	0.4
135.11823	0.4
136.07700	2.6
177.16481	2.4
191.10757	0.4
203.18111	0.7
210.14879	0.4
227.39867	0.4
231.17497	1.1
231.21173	9.3
232.21472	0.5
234.85858	0.5
257.19101	1.2
275.20145	100.0
276.05142	0.8
276.20505	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	271.2278
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.13900	0.4
50.16698	0.4
55.01876	0.5
55.84031	0.4
68.39201	0.4
69.41441	1.0
69.41846	3.0
71.01385	0.5
90.39492	0.4
99.00893	0.8
108.02170	1.3
108.45103	0.4
109.02953	0.4
123.41508	0.4
125.02432	1.5
191.23196	0.4
197.19109	1.2
213.05612	4.1
221.19066	0.8
221.22949	0.4
223.20634	4.8
225.22232	64.8
226.22501	3.6
241.05074	4.5
253.21744	1.4
256.07397	6.7
269.21191	0.4
271.09778	2.6
271.22775	100.0
272.23138	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	271.2278
Annotation	2-Methoxypentadecanoic acid
Peak:m/z	Relative Intensity
57.03445	1.4
57.63702	1.1
59.01370	2.5
71.01398	1.9
71.05022	12.1
83.42413	1.1
85.06583	1.2
87.04519	1.2
87.09149	0.9
99.00839	2.2
108.02177	5.2
109.02957	1.0
109.53558	1.0
109.72485	1.1
125.02452	4.8
181.54276	1.0
183.17534	7.1
197.19095	11.1
213.05595	12.0
225.22218	19.4
241.05121	13.9
244.78030	1.1
253.21819	3.8
256.07382	17.1
257.07755	1.5
269.21201	3.0
271.09818	8.9
271.22772	100.0
272.23148	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	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
52.01419	0.9
52.19387	0.9
59.01371	3.9
67.06615	0.9
69.25056	7.3
70.23837	0.9
93.03437	1.0
98.19923	1.8
99.00880	1.0
108.02163	4.2
109.02937	2.1
111.65728	0.8
125.02449	6.3
150.96274	1.0
169.17247	0.9
182.81407	1.0
207.48541	1.0
213.05582	6.7
223.11009	1.0
225.22293	4.0
229.18008	1.7
241.05016	8.6
242.05525	1.6
253.21779	1.6
256.07440	11.5
257.07761	1.6
269.21182	1.6
271.06213	1.0
271.09753	5.3
271.22781	100.0
272.23178	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0381
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
52.59967	1.0
59.01366	1.9
59.91921	0.9
62.11265	1.0
67.74622	1.2
70.87146	2.2
71.01392	1.5
72.99315	1.6
74.02428	1.5
78.95904	100.0
85.02959	4.9
87.00890	2.4
94.67214	1.1
96.96016	23.3
96.96958	7.9
99.00925	1.0
103.71959	1.0
110.98529	35.0
125.00935	1.0
135.02939	1.3
145.09846	1.6
147.03027	1.2
154.91573	2.3
168.99879	1.1
191.05615	31.8
195.01498	2.9
198.90533	2.7
216.20775	1.0
241.01160	11.2
255.00159	1.1
255.39140	1.0
273.03714	71.4
274.04370	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	273.0769
Annotation	Phloretin
Peak:m/z	Relative Intensity
53.07616	0.2
57.03442	2.0
59.01363	0.6
63.02400	0.3
65.00318	3.3
67.01878	0.2
67.14110	0.2
68.99807	0.4
69.03455	0.3
69.23720	0.4
69.24133	1.3
81.03458	27.9
82.03807	0.7
83.01383	7.7
91.48473	0.2
93.03461	9.0
95.01398	0.7
95.05035	0.9
99.04527	0.8
107.01389	3.1
107.05035	0.3
111.04533	0.4
117.03458	0.2
119.05027	22.2
120.05338	0.4
121.02972	0.4
122.03720	0.3
123.04525	44.3
124.01653	0.2
124.04861	0.9
125.02442	12.0
126.02766	0.4
135.04520	1.6
137.02454	0.3
143.04997	0.2
145.06583	0.3
147.04524	0.9
149.02443	0.8
151.00363	5.5
159.08151	0.2
161.06030	0.4
163.07645	0.5
165.01767	0.2
166.02698	0.6
167.03490	100.0
168.03825	2.8
169.06586	0.5
171.04552	0.6
179.03497	8.2
185.06044	0.3
187.07669	0.6
189.05569	4.1
190.05974	0.3
211.07697	0.8
229.08708	1.6
255.06654	0.9
273.07672	53.6
274.08038	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	271.0612
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
63.02396	11.5
65.00323	20.2
66.00668	0.7
71.30813	1.3
83.01392	12.0
85.02425	0.7
93.03455	14.9
107.01392	30.0
119.05030	83.4
120.05351	2.3
120.31877	0.7
125.02426	2.0
143.05049	1.0
145.02966	1.7
151.00372	73.3
152.00722	2.6
161.06075	1.9
165.01936	3.1
169.01369	0.9
177.01938	10.2
185.06015	2.1
187.04001	2.9
218.01160	0.7
227.07182	1.3
256.07602	1.1
271.06113	100.0
272.06409	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	270.9859
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06683	1.6
68.02518	11.2
71.01376	7.6
71.06261	2.6
77.97520	1.6
78.91887	7.9
78.95905	49.7
82.03455	1.9
85.02945	2.0
86.02472	1.7
87.00874	2.8
96.95996	5.9
96.96964	100.0
98.02521	2.0
99.00885	2.9
110.66387	1.7
124.98751	3.2
128.03467	2.8
142.99861	65.5
144.34666	1.7
173.00893	18.1
179.02122	2.0
188.94128	1.9
241.55414	1.9
271.01401	1.8
271.04584	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	271.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.8
59.01383	0.7
63.02394	12.2
65.00324	18.7
67.44873	0.6
71.28983	0.9
81.03410	0.7
82.55053	0.5
83.01385	12.1
83.84578	0.5
93.03458	15.6
96.95976	0.6
107.01386	29.4
108.02210	0.7
109.02956	0.6
111.28460	0.7
119.05024	85.8
120.05358	2.5
121.02935	1.2
121.06579	0.6
123.04505	0.8
125.02441	6.0
137.02461	0.8
143.05043	0.7
145.02962	2.4
148.24028	0.7
151.00363	76.7
152.00726	2.4
161.06079	2.0
165.01970	3.0
165.05530	1.8
168.00566	0.7
169.01408	2.9
174.01648	1.3
177.01929	11.7
185.06009	1.6
187.03935	3.2
211.02437	2.8
213.05487	1.8
227.07190	0.7
229.05090	0.9
241.05067	1.8
256.07339	2.3
271.06119	100.0
272.06458	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	268.031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.9
61.98833	100.0
77.41606	3.8
96.96000	5.7
99.24854	3.8
102.02762	3.9
107.80186	4.5
113.02444	4.9
124.04088	5.1
174.97661	4.6
198.49930	5.1
208.02382	4.8
215.50394	4.4
268.07458	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	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.1
60.99314	0.7
71.01389	0.4
72.99307	0.6
78.95934	0.8
81.13263	0.5
83.01380	0.5
87.00876	100.0
88.01221	1.2
95.95270	0.6
96.96016	3.3
96.96968	2.1
107.01433	0.5
111.00951	0.4
112.13459	0.4
121.02955	13.6
122.03275	0.6
123.00876	1.0
125.02431	3.7
135.04555	1.4
136.05327	1.4
136.07909	0.4
136.98782	0.7
140.01123	1.3
140.07170	1.0
142.10681	0.4
166.06348	72.7
167.06645	2.4
168.00706	1.0
169.01421	4.0
169.13493	0.5
171.51999	0.6
172.23247	0.5
181.08702	46.3
182.09030	2.3
183.04536	0.5
197.06009	0.5
205.08696	1.0
207.10274	0.9
209.08217	0.6
211.02402	0.6
213.05647	0.5
225.05571	0.9
225.11333	0.5
227.03513	1.3
227.12733	0.7
239.09297	0.9
269.04440	3.6
269.07077	1.1
269.10281	14.9
269.21240	0.9
269.24872	0.6
270.05615	11.4
270.10458	1.0
292.55383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13471	0.5
57.03441	3.0
58.97137	0.6
59.01381	100.0
60.01722	1.0
71.55130	0.9
73.60323	0.6
73.62318	0.5
83.05031	0.8
97.06600	0.8
99.04522	12.1
109.06585	1.4
121.06570	0.7
130.92052	0.7
147.11783	0.6
165.12831	8.5
167.05992	0.5
180.05592	0.6
189.12833	2.3
207.13876	15.7
209.11821	44.4
210.12183	2.8
225.14951	28.8
226.15338	0.9
251.12878	9.3
269.04605	2.1
269.13925	60.9
269.24799	1.1
270.14389	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	267.0907
Annotation	moclobemide
Peak:m/z	Relative Intensity
59.01372	1.9
60.08717	0.2
60.47836	0.2
61.75216	0.2
65.42159	0.2
69.29855	1.8
70.92300	0.2
71.01368	0.3
72.56654	0.2
72.99303	0.3
79.95726	3.1
81.97369	0.2
95.95247	0.3
96.96009	100.0
97.75233	0.2
113.02483	0.4
121.02941	0.4
137.09703	0.8
146.01593	0.2
163.11221	0.5
179.10811	0.3
207.10258	0.7
225.11305	3.7
226.11523	0.3
267.03217	1.5
267.09052	66.2
267.52719	0.3
268.09348	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	267.1237
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03444	3.0
58.99330	1.0
59.01380	100.0
59.56733	0.9
63.42690	0.8
69.16457	11.2
71.05016	2.9
76.86926	0.9
79.95725	1.1
83.05032	1.5
83.13567	1.1
85.02973	1.2
87.00858	2.4
96.96022	4.3
98.20675	2.3
99.00900	1.2
100.26530	1.0
139.26172	1.1
161.13365	3.0
163.11378	1.7
168.94997	1.1
207.10204	2.5
223.13391	38.6
224.13684	2.3
267.12421	4.4
267.15662	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.072
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
51.95312	0.7
55.01876	1.9
57.03443	5.5
58.00592	1.1
59.01376	30.4
67.01851	0.7
70.32738	2.0
71.01382	40.4
72.99307	5.5
73.02937	1.7
75.00870	16.7
83.01404	1.8
85.02950	38.0
87.00876	18.2
89.02448	12.5
89.15144	0.7
91.03996	1.7
95.01373	6.5
96.54672	0.7
96.96016	7.2
97.02940	0.8
99.00874	11.6
101.02433	2.7
101.55108	0.7
103.00378	2.8
105.01913	1.4
112.09328	0.7
113.02450	50.0
114.02796	1.2
115.00359	1.7
117.01912	2.6
129.01947	3.8
129.43413	0.7
131.03502	1.4
145.06920	0.8
161.04507	0.9
175.02457	2.7
181.14861	0.8
195.43834	0.7
207.05093	2.2
231.80894	0.7
248.58955	0.7
249.06181	5.8
267.07211	100.0
268.07565	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	267.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05654	0.8
57.03450	19.3
59.01366	5.2
69.25783	7.6
69.26186	1.2
71.01386	3.9
72.99313	5.0
73.02932	2.2
74.77650	0.8
75.00901	0.9
79.95745	0.9
83.01402	2.5
85.02981	1.3
87.00843	0.8
89.02457	1.4
96.96018	6.6
99.00890	1.8
101.02446	100.0
102.02782	2.1
113.02469	2.0
115.00376	1.1
121.02957	35.9
121.62470	1.1
124.01680	1.0
125.91133	1.0
127.00398	0.8
129.70520	0.8
137.31908	0.9
145.01430	81.2
145.55339	0.9
146.01767	1.7
164.60771	0.9
267.05069	4.2
270.09735	1.0
286.72992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11353	0.9
55.64061	1.0
57.03437	4.0
59.01376	31.6
71.01380	42.8
71.54567	1.9
72.99300	4.5
73.02940	2.4
74.68943	1.0
75.00461	1.4
75.00874	18.2
83.01369	1.5
85.02950	34.1
87.00878	18.4
89.02451	11.4
95.01376	6.9
97.79071	1.2
99.00890	9.3
101.02425	3.2
103.00362	3.6
105.01899	1.5
113.02453	45.9
114.02762	1.1
115.00381	1.9
117.01926	1.9
123.92197	1.1
129.01883	3.0
131.03485	1.0
168.14041	1.0
175.02521	2.0
207.05110	1.8
249.06079	3.8
267.07202	100.0
268.07529	3.4
274.55551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75565	0.4
63.24862	0.4
65.00311	0.5
71.27044	0.9
79.95722	3.0
90.86484	0.4
95.95158	0.7
96.96008	100.0
97.95866	0.6
262.62930	0.5
265.14755	76.8
266.15076	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	265.2171
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
59.01365	1.0
60.47562	0.5
71.01361	0.7
79.95744	0.7
96.96011	36.8
102.48222	0.5
112.98512	0.5
173.80580	0.6
182.60797	0.5
221.01010	0.5
247.27605	0.5
255.62044	0.5
264.99893	0.7
265.14801	26.6
265.21704	100.0
266.15042	1.9
266.22098	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	265.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76762	0.3
59.01377	0.6
63.96345	0.3
71.37463	0.8
79.95719	2.3
95.95271	0.6
96.96012	100.0
102.40067	0.3
103.53245	0.3
149.02554	0.6
169.81029	0.3
265.14767	82.1
266.15070	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	265.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	11.0
57.03447	7.3
58.00587	2.3
59.01379	60.4
69.03447	1.8
70.05378	5.5
71.01382	100.0
72.01723	1.4
72.99313	5.0
73.02946	37.2
75.00872	3.5
79.95750	1.3
80.96519	1.7
83.01388	16.8
84.02179	1.3
85.02952	51.7
86.00104	1.5
87.00874	6.3
89.02435	10.4
95.01398	7.7
96.96012	4.2
97.02943	2.7
99.00880	16.7
101.02444	94.6
103.07661	4.3
111.00865	2.9
113.02451	45.1
116.81021	1.1
117.05570	2.9
119.03501	3.3
122.68312	1.2
125.02472	2.5
129.01973	3.8
134.03696	1.3
134.04686	1.5
135.04662	1.6
136.04018	2.0
143.03491	3.8
148.32686	1.1
148.70627	1.3
159.02994	9.1
161.04556	44.7
163.03983	2.4
177.05661	1.5
178.08588	1.4
179.07043	1.8
191.07170	1.2
205.03471	1.4
214.11736	1.3
217.09828	2.0
221.91122	1.6
232.03664	1.2
265.03622	1.9
265.07648	2.3
265.12918	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	265.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
55.48732	0.5
57.03446	3.2
58.00579	1.9
59.01377	55.0
71.01382	23.4
71.05019	0.5
71.54802	1.1
72.99309	2.5
73.02940	1.5
75.00860	0.7
79.25026	0.5
80.96525	0.9
83.01389	0.9
84.64863	0.5
85.02948	26.9
87.00871	2.3
89.02441	27.2
95.01373	2.2
96.96020	0.7
99.00868	0.8
99.04530	0.7
101.01782	1.0
101.02443	16.1
103.04013	37.4
104.03526	2.7
104.04161	0.6
113.02449	11.7
117.05581	21.0
119.03491	10.9
131.03511	0.6
143.03522	0.8
145.05063	1.5
161.04536	1.6
179.05609	2.3
237.99146	0.6
249.64809	0.6
265.09271	100.0
266.09296	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	265.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78464	1.0
52.49194	1.0
55.32242	1.1
57.03442	1.7
58.00577	1.8
59.01379	87.1
71.01380	30.7
72.99300	2.9
73.02940	2.7
75.00886	1.5
79.95737	1.3
80.96527	3.3
83.01389	1.7
84.17643	1.0
85.02954	27.4
87.00848	2.2
89.02445	33.5
95.01381	2.5
96.96027	3.7
99.00887	1.8
101.02456	15.2
103.03996	3.3
104.03541	3.8
104.21386	0.9
111.00829	1.1
113.02457	12.5
117.05579	100.0
118.05921	1.8
119.03489	12.7
121.02919	1.2
129.01933	1.1
131.03510	1.4
134.04703	4.2
135.04555	1.1
143.03546	1.3
147.02989	3.3
149.02438	3.2
149.04541	1.0
149.06044	1.0
150.51234	0.9
161.04510	2.2
163.92014	1.1
164.04773	3.6
165.05531	1.5
175.03949	2.2
177.01901	1.4
178.02615	1.3
179.03529	3.6
179.05652	2.0
179.07030	5.8
191.21291	1.0
193.05092	1.8
203.03502	1.6
221.04692	1.2
221.09193	1.9
233.49905	1.0
265.03708	3.0
265.09430	15.7
265.12036	1.9
266.08859	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	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
53.62562	1.1
59.01367	1.9
71.01327	4.4
71.52582	1.2
81.13084	1.1
91.83865	1.3
112.97447	1.4
119.01332	1.4
190.99968	1.9
262.98264	1.6
263.20154	100.0
264.20609	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	262.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17606	0.4
57.03436	0.5
59.01361	0.5
69.98435	1.2
73.02962	0.6
84.04549	0.8
87.02738	2.7
92.32358	0.3
96.95995	0.8
114.05602	0.4
115.05834	0.5
131.05365	1.6
133.06929	100.0
134.03877	0.3
134.07330	2.3
159.02992	0.3
175.87022	0.4
205.72214	0.3
219.03032	0.3
249.21994	0.3
259.60681	0.4
262.11182	7.8
262.13828	1.0
263.11417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1287
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
58.30766	2.2
59.01376	5.3
66.76430	2.1
67.01919	2.4
71.01376	5.6
71.61193	2.4
73.70361	2.2
79.05524	2.4
83.05017	4.1
97.02947	11.6
107.05006	3.5
108.05789	6.3
109.02948	6.6
109.06588	7.2
111.04530	15.3
113.06081	10.7
116.84984	2.1
119.04962	2.2
119.08633	6.3
121.06541	3.8
122.03743	17.0
123.08141	9.8
125.06067	15.6
136.05313	21.2
137.06058	7.2
138.06873	21.8
139.07655	37.1
148.05310	7.8
149.06079	6.5
151.07658	73.4
152.04762	6.9
152.08440	41.6
153.09166	10.2
159.11774	4.1
161.09727	8.1
163.07626	16.1
166.35783	2.1
167.07065	4.5
177.12895	2.6
188.08385	3.5
189.09181	5.9
201.12819	30.0
203.10776	26.6
204.11560	68.5
205.11926	3.5
217.01601	2.5
219.13911	100.0
220.14151	5.0
263.09473	3.1
263.12866	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	262.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	6.3
69.03480	6.3
70.02985	11.2
70.27965	5.4
70.90620	11.0
70.90940	6.9
71.01376	9.4
85.02954	62.9
93.03450	6.2
93.30633	6.4
96.04557	100.0
98.02534	9.2
99.00901	7.4
105.64410	6.3
126.01952	26.3
129.01906	14.4
142.01472	35.2
158.04562	14.1
171.82629	5.5
174.06694	6.1
175.04300	7.8
180.06660	7.9
202.03583	9.3
222.94461	7.6
259.46500	5.8
262.01627	11.1
262.05716	7.7
262.09256	7.5
271.73499	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	262.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05946	1.1
51.70429	1.1
57.03453	5.7
59.01379	2.1
68.01412	1.7
69.03452	4.9
69.88341	6.1
70.02974	8.7
71.01374	6.1
74.02483	1.8
75.00861	1.1
79.01899	1.3
83.01404	1.3
84.04538	2.1
85.02952	56.6
86.02505	1.9
87.04513	7.0
91.82622	1.3
93.03461	1.9
94.02994	2.2
96.00922	1.5
96.04555	100.0
96.96014	1.8
97.02956	8.0
97.04844	2.3
98.02487	3.5
99.00877	4.7
109.02976	1.9
111.00880	1.7
111.04510	2.0
112.04054	4.1
113.02471	1.4
114.01965	1.9
114.05572	2.9
114.46714	1.1
115.04008	3.1
126.05563	2.3
128.03542	6.5
129.01930	14.1
131.03545	1.9
137.02455	1.3
138.05598	3.0
140.03520	3.9
141.01950	4.9
142.01460	30.5
144.03033	3.0
156.06561	1.4
157.43602	1.2
158.04599	16.9
159.03009	2.8
172.02521	3.5
202.03572	5.1
219.05074	2.7
220.07007	1.9
262.05713	4.0
262.08087	1.8
262.12842	1.2
263.05701	1.8
279.82303	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34260	0.7
58.02969	1.1
59.01374	6.7
60.43324	0.7
69.65764	3.3
70.02976	9.4
72.04565	3.6
74.02475	100.0
75.02785	0.8
83.79819	0.7
84.04524	1.4
86.02479	0.7
96.96032	1.7
98.02480	24.2
115.34558	0.6
116.03540	52.5
117.03887	1.0
128.03551	6.6
131.03819	0.8
132.04555	34.9
133.04872	0.9
144.04553	6.9
157.12350	0.8
173.07179	1.4
175.08820	2.2
201.06688	13.4
217.09831	1.9
219.07695	2.8
219.12360	3.9
243.07831	0.9
261.08798	21.9
262.09052	1.4
283.72562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0767
Annotation	Funadonin
Peak:m/z	Relative Intensity
50.22873	0.4
57.03443	2.3
57.42177	0.4
58.03006	0.6
59.01360	2.5
59.26967	0.4
69.03510	0.6
70.03013	1.7
71.01392	0.8
71.54336	0.7
71.67272	0.4
72.04593	1.1
72.99358	1.0
74.02468	24.0
75.00906	0.7
79.95776	1.0
79.96989	0.4
81.03449	3.5
83.01416	0.7
84.04597	0.6
85.03005	2.0
87.00934	0.6
87.04602	0.5
88.92124	0.4
93.03449	3.4
95.01420	0.8
95.05015	3.8
96.04587	1.6
96.96016	2.5
97.02998	1.6
98.02476	6.0
98.03027	0.4
103.49007	0.5
105.03493	0.7
107.05068	1.6
109.02964	5.0
116.03535	13.0
117.03458	0.4
119.05023	4.3
121.02998	1.5
121.06631	1.6
123.00918	1.5
123.04561	2.1
124.01695	1.9
125.02454	4.8
128.03503	2.2
131.03809	1.2
131.05017	0.9
132.03046	0.5
132.04561	9.5
132.05495	0.9
133.02991	1.8
133.06635	1.8
134.03757	0.6
135.04533	3.7
135.08157	0.8
137.02440	16.2
137.06137	0.9
138.03195	1.4
139.04012	3.8
144.04581	1.8
145.02994	1.4
145.06601	1.3
145.13596	0.5
146.03731	1.3
146.06065	0.6
147.04526	3.8
147.08192	0.6
148.05333	0.5
149.02428	0.9
149.06071	10.5
150.03189	0.8
155.03539	0.6
157.06538	0.9
157.07698	0.6
158.03757	2.0
158.06061	0.5
159.04521	5.5
160.05255	1.2
161.02422	8.1
161.06073	1.3
162.03221	2.7
163.04007	5.1
163.07687	2.1
165.01929	0.8
166.02744	0.7
171.04445	0.6
172.05295	1.0
173.02400	1.1
173.06055	4.6
174.03242	0.8
175.04019	9.0
175.07526	2.3
175.08934	0.9
176.04749	4.0
177.01939	5.6
177.05548	13.9
178.02695	3.6
181.05061	7.1
183.04492	0.6
186.03177	0.5
187.04004	0.7
187.07690	0.6
189.01930	3.2
189.05544	3.7
190.02756	1.3
191.03474	5.4
191.07112	6.9
197.06186	0.6
199.00711	0.9
199.03984	1.3
199.07643	1.0
200.04788	2.4
201.05536	4.3
201.06906	1.9
202.06320	0.8
203.03488	11.4
204.04250	20.7
205.04782	0.9
215.00214	0.7
215.07095	2.9
217.01422	4.2
217.05046	2.7
217.08646	1.5
218.01846	0.7
218.05872	4.4
219.03027	1.8
219.06589	63.3
219.12372	1.3
220.06906	3.2
226.82175	0.5
228.04189	0.9
233.04482	1.6
233.08147	2.8
239.36520	0.5
243.02914	1.9
243.06590	6.0
244.07146	0.6
261.00641	5.9
261.04187	3.4
261.07617	100.0
261.22223	1.0
262.07959	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	259.0222
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
50.91863	0.5
57.03433	0.6
59.01372	2.4
63.12800	0.5
66.15293	0.5
69.06053	0.6
71.01379	1.2
71.52702	0.8
78.95905	100.0
79.95737	5.3
80.96524	0.9
83.25260	0.5
84.08650	0.5
85.02961	1.1
87.00858	0.8
89.35911	0.6
90.61898	0.4
91.21501	0.5
92.17604	0.6
93.03461	0.6
96.96053	9.7
96.96963	79.8
99.00878	1.0
104.52941	0.6
107.05043	1.2
111.00877	0.9
112.98830	1.1
123.04507	0.7
125.02435	0.7
134.40735	0.6
135.04532	2.1
136.75726	0.5
138.97063	1.4
138.98041	4.6
145.81116	0.5
164.02037	0.5
168.99127	1.4
173.00960	0.6
179.03435	0.7
187.00758	0.8
199.00114	1.8
200.73596	0.5
215.00189	0.7
215.08376	0.5
217.07115	0.7
241.01216	2.0
258.99106	1.0
259.02271	23.7
259.08310	1.1
260.02634	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0223
Annotation	D-Galactose 6-phosphate
Peak:m/z	Relative Intensity
57.03454	2.3
59.01373	3.3
71.01376	5.8
71.06010	3.6
72.00896	4.0
74.02469	11.0
78.95905	100.0
79.95739	11.4
82.02983	4.5
83.01376	3.5
85.02938	2.0
87.00847	3.6
87.05641	11.4
93.03461	10.8
94.02953	1.9
96.96033	18.0
96.96958	64.8
97.02959	1.9
98.02472	4.8
99.00874	7.3
100.04108	2.4
106.04238	2.5
107.05030	3.3
111.00909	2.2
112.04043	5.4
112.98789	13.6
119.05025	25.2
128.03557	12.4
129.01945	3.5
130.08748	2.1
131.04633	2.9
135.04524	4.8
138.97043	3.9
138.98007	3.3
153.06612	2.3
163.04022	3.5
168.99129	2.7
173.00903	2.0
180.06657	26.0
197.05754	2.4
198.99091	3.3
199.00713	15.8
213.05179	16.7
215.00063	6.3
241.01172	3.1
241.04662	4.0
259.02005	21.0
259.05536	3.6
259.12830	2.0
260.02347	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.1
59.01379	100.0
60.01746	0.6
69.03473	0.8
69.54381	4.9
70.59586	0.6
73.02955	2.2
80.02678	1.1
83.05043	1.3
125.09753	1.8
139.11267	1.1
143.03702	0.7
155.10818	1.1
163.11279	8.4
181.12334	35.1
182.12675	1.8
183.10394	1.1
195.13876	1.6
213.15236	0.8
225.11380	2.8
242.05795	0.7
257.04727	1.1
257.14056	13.2
257.17609	2.7
257.24121	2.9
268.86816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03196	2.3
57.03450	24.6
58.21146	1.4
59.01373	1.7
62.17081	1.5
64.07185	1.6
69.03475	1.6
69.54943	8.9
70.81962	1.5
76.72513	1.7
82.02970	4.3
83.05014	5.9
97.02940	2.2
98.03773	8.0
101.02461	6.0
118.95602	2.1
123.08157	4.1
124.05257	7.8
135.08122	1.8
137.09729	9.6
138.06856	3.7
139.07658	26.6
149.09668	4.2
152.28041	1.8
153.09212	18.1
155.10779	100.0
156.11044	3.1
166.02649	1.7
172.79779	1.5
185.15518	2.3
195.13927	17.3
199.09763	2.3
211.13277	2.2
213.14961	53.0
214.15224	3.3
215.09166	1.9
229.81210	1.7
247.03676	1.6
253.94092	1.9
257.11246	3.2
257.13931	70.8
257.23911	1.8
258.14355	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	255.2328
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
70.65989	1.1
70.66341	0.5
88.06939	0.4
97.07770	0.5
203.00168	0.4
233.28938	0.4
255.23289	100.0
256.23685	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.7
56.27965	0.6
57.03447	27.2
69.03455	1.5
71.01381	0.9
71.05008	0.9
71.52160	1.0
73.02934	2.3
74.03280	0.8
75.03366	0.8
81.03506	0.8
83.05019	4.9
85.02956	4.5
85.06595	5.4
86.03287	2.3
86.06911	0.8
87.03367	1.9
95.05024	2.1
95.08630	1.9
97.02924	1.6
97.06512	0.8
98.03738	9.4
99.08170	1.4
101.02415	4.9
109.06604	1.9
111.04556	0.7
111.08112	0.8
112.05338	1.6
113.06110	0.8
121.06621	0.8
123.08179	3.9
124.05312	7.8
129.05586	1.1
135.08109	1.2
137.08748	1.2
137.09709	11.4
137.10689	1.0
138.06856	5.6
138.10098	1.0
139.07655	27.8
139.11295	1.5
140.08238	1.2
149.09689	3.0
151.11334	1.4
153.09213	19.2
154.09549	1.4
155.10777	100.0
156.11110	3.8
163.11259	2.7
164.11624	1.8
165.11882	2.2
165.13023	1.6
169.12300	1.9
170.12726	2.0
171.12927	4.2
177.12926	0.9
179.10751	1.3
185.15504	4.3
195.13921	15.9
197.14680	0.6
199.09752	2.1
211.13260	0.9
213.14980	53.7
214.15314	2.5
215.09276	0.7
257.13959	69.7
257.16302	2.9
258.14212	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	255.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75610	1.2
57.03448	17.9
58.97673	1.1
59.01381	1.1
69.03453	2.1
75.07413	0.9
78.75089	1.2
87.04523	1.2
89.80373	1.0
95.05036	2.8
97.02939	4.1
101.02451	3.6
106.94425	1.0
109.06581	10.5
111.04527	1.8
122.03718	1.7
123.08170	2.5
125.09687	1.2
135.08163	10.9
136.54759	1.0
137.06114	1.0
137.09718	5.5
138.06865	44.7
149.09686	1.2
151.07693	1.2
153.09212	100.0
154.09537	4.0
163.11278	1.9
165.12910	1.8
175.11278	3.0
177.09303	1.4
181.12364	2.0
183.13914	3.7
193.12320	12.7
195.88646	1.1
211.13385	36.6
212.13736	1.6
255.12378	35.1
255.15848	3.6
255.23282	5.7
256.12595	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	253.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36145	2.0
59.01379	100.0
69.85983	7.2
69.86403	6.4
71.01379	2.8
72.13515	2.2
85.02945	3.4
87.00881	5.4
101.02457	3.6
106.11315	2.2
113.02460	2.6
121.02154	3.9
121.02960	51.5
161.04550	7.6
169.48817	2.4
193.07164	19.0
241.19254	2.6
247.71465	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	255.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	17.8
59.38094	1.0
65.11477	0.8
68.02206	1.0
69.03443	1.0
69.44579	7.3
69.44909	1.3
71.05046	1.1
83.05029	1.7
87.04528	1.0
95.05035	2.3
97.02962	3.5
101.02441	3.1
101.45920	1.0
105.60079	0.9
109.06579	8.8
111.04499	2.8
118.48133	1.0
121.06649	1.2
123.08114	2.1
123.22482	0.9
126.06971	1.0
135.08176	8.6
136.05283	2.4
137.06122	1.1
137.09702	6.8
138.06873	42.7
146.35095	0.9
150.06805	1.1
152.08418	2.0
153.09213	100.0
154.09560	2.0
162.44627	0.9
163.11253	1.5
165.12747	1.3
175.11250	3.0
181.12347	1.9
183.13963	2.9
193.12337	12.7
211.13388	40.4
212.13759	1.9
237.14915	1.3
255.09781	2.1
255.12401	32.1
255.15865	3.8
255.23286	1.7
256.12875	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	253.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.11225	2.6
65.01633	2.1
69.33866	13.5
69.34275	3.7
71.01366	3.4
73.02961	2.6
87.00867	6.1
87.83053	2.2
96.95995	2.9
101.02493	3.0
105.65495	2.3
115.29179	2.5
121.02952	70.0
161.04544	10.4
181.28798	2.1
193.07161	20.6
212.62505	2.2
253.03641	4.6
257.34055	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	86.4
61.98824	4.2
71.01403	4.1
75.42578	2.4
76.61990	2.6
87.00894	6.3
96.96026	3.2
101.02447	4.3
102.97160	2.6
120.40215	3.2
121.02953	100.0
122.03307	3.9
144.88603	2.6
149.74417	2.8
161.04541	9.1
193.07191	15.6
253.09084	3.0
254.96193	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23888	3.1
59.01378	100.0
65.94178	3.2
71.28115	7.4
111.30785	3.4
161.04509	7.5
193.07224	23.6
205.42886	3.7
218.03075	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	252.0512
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
53.06185	0.4
59.01387	3.3
62.70250	0.5
70.62533	0.6
71.01383	7.7
72.92404	0.5
79.95755	0.6
88.04047	3.8
88.41689	0.4
91.01907	1.8
92.18904	0.5
93.03456	16.1
96.95985	2.8
114.01935	0.6
115.00375	12.9
118.02993	16.1
121.02945	1.1
123.03049	0.6
132.03015	3.4
136.04041	100.0
137.02457	6.7
137.04366	2.9
146.06129	2.2
164.07166	6.9
193.07268	0.6
195.71758	0.5
208.06154	6.7
234.03979	1.1
252.05122	21.6
253.05371	1.2
253.11295	1.0
264.80798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83500	0.4
57.71727	0.4
59.01379	9.7
71.01378	1.0
71.23788	0.7
73.02941	2.0
77.03970	0.8
83.05024	0.7
85.02938	3.5
87.00868	7.5
99.04518	0.7
103.00368	1.3
109.06569	0.5
109.72614	0.4
111.04522	6.7
112.98795	3.3
113.06053	0.7
115.15408	0.5
121.02956	100.0
122.03278	2.9
123.08153	0.6
125.06038	0.6
149.09723	3.2
153.09181	0.7
163.11298	5.0
167.10782	4.5
177.09119	0.7
193.07188	1.2
193.12326	0.7
217.12354	2.0
235.13393	3.5
253.03467	1.6
253.14415	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.57716	9.5
71.01385	2.5
71.31689	2.2
73.02943	2.4
78.91894	2.8
80.91685	3.2
80.96538	2.2
87.00884	6.9
101.02456	2.9
112.98804	3.7
121.02957	69.1
122.03237	2.3
125.02394	2.3
159.50711	2.4
161.04532	7.0
164.56776	2.1
175.14511	2.4
193.07133	18.9
196.67653	2.7
253.03688	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	250.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85898	0.9
59.01384	2.2
70.02988	1.4
71.01396	6.9
72.93454	1.0
86.04231	0.9
88.04044	82.5
89.04402	1.0
91.05554	2.3
114.01978	4.8
115.00374	14.7
120.04597	5.1
121.02945	11.2
132.03027	100.0
135.04546	3.3
136.73358	0.9
145.04865	1.5
162.09264	3.7
178.73660	0.9
188.07178	1.2
191.05362	1.1
206.08223	9.7
232.06174	3.0
234.03090	1.0
250.07216	29.3
250.14359	2.5
251.07565	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1448
Annotation	Furmecyclox
Peak:m/z	Relative Intensity
59.01380	0.4
61.98838	0.4
63.85448	0.3
91.01890	0.5
97.50278	0.4
124.13813	0.3
151.26970	0.4
163.00281	0.4
183.94681	0.4
205.12358	0.7
220.14552	0.7
229.21692	0.4
234.11342	1.8
243.81033	0.4
250.14474	100.0
251.14821	6.0
267.11127	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.056
Annotation	MONO(3-CARBOXYPROPYL) PHTHALATE
Peak:m/z	Relative Intensity
50.84081	0.9
57.99996	0.8
59.52769	0.8
63.48332	0.8
69.38548	6.0
69.84756	0.9
76.24622	0.8
79.95715	1.1
81.05259	0.7
85.02953	14.4
96.96000	2.1
102.12840	0.8
104.82272	1.0
110.74429	0.9
121.02955	100.0
122.03285	2.3
129.01913	3.6
170.48035	1.0
222.13925	0.9
251.09451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
64.27914	1.0
71.01379	7.5
71.44256	0.8
73.96143	1.0
82.62386	0.9
85.02940	1.1
88.04041	76.4
91.05560	2.3
96.96024	1.8
98.20673	1.5
100.10462	1.0
114.01962	4.8
115.00371	15.4
120.04546	5.4
121.02950	11.8
132.03027	100.0
132.67484	1.0
133.03354	1.2
134.06087	1.1
135.04510	4.8
135.05565	1.9
143.97610	0.9
144.04559	1.4
145.04932	1.8
149.27684	0.9
160.07600	1.4
162.09283	4.7
165.36703	0.9
190.05231	1.1
191.05400	1.7
197.38658	1.1
206.08243	8.4
232.06151	3.5
250.07179	30.4
250.14471	4.5
251.07158	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	249.088
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02708	0.8
58.02965	4.8
59.01369	1.3
60.04460	0.9
62.72393	0.8
69.56110	6.8
70.86107	0.9
82.03999	0.9
88.04060	1.6
90.01274	0.8
92.05066	3.2
96.96021	1.3
99.75249	1.2
116.05051	3.7
118.06622	13.8
128.05067	19.8
131.03764	13.8
132.03055	2.2
136.20378	1.0
144.04549	100.0
145.04895	4.0
146.06116	44.6
147.06435	2.0
172.04042	10.2
178.57516	1.0
190.05087	68.8
191.05418	2.5
194.96024	0.9
212.16750	0.9
241.47676	0.8
249.04013	1.3
249.08672	1.9
250.14481	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	249.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81885	1.3
59.01379	3.7
79.95765	1.9
96.96005	5.0
98.20746	2.1
100.29060	1.4
104.69922	1.3
126.40244	1.2
127.07684	8.2
139.87338	1.1
167.06895	2.6
169.08432	1.7
181.12338	26.7
182.12672	1.3
189.09148	3.2
201.08951	5.8
203.07053	1.6
203.10574	10.8
205.08511	2.4
205.12181	4.7
207.10068	1.6
209.10159	2.4
215.06888	1.6
217.08434	5.4
219.06578	1.5
219.10086	7.1
221.11588	4.9
223.13147	72.6
224.13513	2.9
233.07912	9.7
234.05388	1.5
235.09518	23.9
237.11078	49.0
238.11499	2.9
248.97229	3.5
249.08260	4.6
249.11072	100.0
249.15115	4.4
250.11400	4.8
250.14435	14.6
265.10519	9.4
267.12131	93.5
268.12473	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	246.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60152	10.5
61.98838	51.8
66.88815	8.9
69.32055	74.6
69.32466	16.2
75.87171	9.7
79.78271	8.7
93.03454	27.7
94.53111	9.7
94.74155	9.3
96.96008	29.4
123.04486	16.8
125.02435	37.6
155.03481	10.2
167.03456	13.8
169.01448	61.1
171.02991	100.0
173.04527	23.0
183.02968	25.0
188.66965	11.1
212.59454	10.4
246.04454	12.4
246.08388	21.4
247.02536	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1702
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
54.36642	0.4
59.01386	0.5
61.98825	0.9
62.69720	0.5
64.69323	0.5
71.03524	1.1
75.91730	0.5
79.95711	0.9
85.02951	0.4
86.79942	0.4
98.43204	0.5
121.03002	0.5
130.04221	0.5
175.00378	0.6
179.07079	0.5
184.00160	5.1
186.95630	0.5
205.16026	0.5
212.63701	0.5
223.54097	0.5
231.13977	0.6
232.14336	0.5
247.17021	100.0
247.97456	0.4
248.08005	4.4
248.17375	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	245.093
Annotation	N-Acetyl-L-tryptophan
Peak:m/z	Relative Intensity
58.02974	22.5
59.01377	6.1
69.34564	6.3
70.02971	15.2
70.09785	0.9
71.01373	1.2
72.00893	5.9
72.04553	3.9
73.02968	1.0
74.02473	100.0
78.95901	1.5
79.95730	1.7
84.64738	0.9
93.05715	0.9
95.05083	0.9
96.95999	5.3
98.02478	24.2
98.19913	2.0
98.95608	1.8
115.04008	1.1
116.03548	27.0
116.05054	36.8
121.02920	1.0
130.06592	5.4
142.06592	6.7
159.04578	1.4
159.09258	7.2
161.06076	1.1
173.06133	0.9
177.14377	1.0
183.09337	1.6
185.58044	0.9
185.59709	0.9
186.05605	1.6
187.04173	1.2
201.05695	1.4
201.10301	6.5
203.08264	79.8
203.12590	1.6
204.08672	4.1
245.01094	3.3
245.04553	3.1
245.09378	65.1
246.09723	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88265	0.5
53.95433	0.5
55.55108	0.5
57.97697	0.5
59.01378	33.9
63.86662	0.5
74.02445	0.7
85.04384	0.6
92.27580	0.5
96.96004	1.0
98.20644	1.4
111.90270	0.5
116.05087	0.8
133.79343	0.6
139.11325	0.8
141.12820	1.4
165.12831	4.6
166.05090	7.7
167.10773	0.6
183.13895	33.7
184.14227	1.9
185.11819	100.0
186.12149	4.1
203.08301	0.9
227.12842	12.2
245.04605	1.0
245.13924	67.2
246.00710	0.8
246.14359	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.16
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
57.20625	1.0
59.01374	1.7
61.98527	2.0
61.98828	31.2
67.01884	2.0
71.55071	1.6
87.26225	1.0
96.95980	1.0
110.02477	1.9
111.00854	2.0
124.04038	4.2
168.92575	1.1
171.00867	1.0
176.14850	1.2
181.15968	50.0
182.16258	1.5
197.90631	5.7
199.17093	2.0
200.05577	1.1
225.14957	66.5
226.15298	4.9
239.53224	1.3
243.02979	1.8
243.06319	1.9
243.15991	100.0
243.89983	5.3
244.16295	5.4
258.60352	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.043
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
59.01360	1.1
62.96386	0.4
66.47041	0.4
69.90529	1.7
71.01380	0.6
78.95903	100.0
79.95767	0.8
80.96496	0.7
85.02912	0.4
87.00874	1.2
88.04039	1.1
94.98092	2.0
96.96017	0.6
96.96960	10.5
101.02460	0.6
101.90953	0.4
102.05621	0.8
104.38440	0.4
111.04510	0.9
113.26703	0.4
119.03468	0.5
124.07607	0.4
127.07626	0.7
128.03484	0.7
129.07530	0.6
129.10385	0.5
139.07634	0.4
150.98027	0.7
152.99585	71.8
153.05551	0.7
153.99896	0.9
154.34142	0.4
155.07179	0.4
157.08644	0.5
171.00642	29.7
172.01053	0.6
183.06648	0.5
201.07545	0.4
201.09543	0.5
245.04317	72.4
246.04613	1.4
246.09804	0.6
264.63266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90221	0.5
53.65839	0.4
53.74812	0.5
53.84593	0.4
54.49898	0.4
59.01342	0.4
71.22481	0.8
74.46235	0.4
78.95901	100.0
96.96960	8.8
123.15995	0.5
131.47404	0.5
140.01779	0.9
140.25433	0.5
147.95566	0.5
150.97993	1.3
152.99576	69.3
153.99930	1.1
171.00635	30.8
226.19838	0.5
245.04301	63.1
246.04643	1.9
256.39120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.01379	100.0
60.01712	0.6
60.99302	0.4
69.03451	0.5
69.22062	0.3
69.22463	2.7
73.02942	0.4
84.09775	0.2
95.45396	0.3
110.02483	0.4
111.00887	0.4
123.00893	0.4
129.99582	0.3
139.11292	22.1
140.11613	0.6
145.03003	0.3
151.00345	0.3
163.11288	2.5
181.12341	27.8
182.12709	1.2
183.02992	1.0
183.10271	16.7
184.10527	0.6
199.13391	10.2
200.13722	0.5
207.10223	0.4
225.11304	7.4
226.11609	0.3
243.12357	52.4
244.12663	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
52.36094	2.0
59.01378	100.0
60.44642	1.9
63.91750	1.9
68.96181	2.0
98.19938	4.6
103.06075	1.8
112.42983	1.9
123.00873	8.0
139.11298	19.4
151.00339	7.5
163.11195	2.7
167.01639	4.3
181.12332	30.7
183.02950	23.6
183.10236	21.9
199.13414	9.6
225.11258	6.0
243.12364	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0621
Annotation	Uridine
Peak:m/z	Relative Intensity
58.02971	1.8
59.01389	7.5
61.68895	1.5
66.03490	14.6
68.01402	2.6
69.63409	8.8
71.01393	4.6
80.52240	1.5
81.03481	1.9
82.02985	28.1
83.01391	3.5
84.04556	1.8
87.00880	18.4
88.04070	1.8
93.03471	3.7
94.03006	1.8
96.04566	3.5
98.19939	2.4
99.00893	4.6
100.34710	1.6
108.04567	2.8
110.02480	100.0
111.00869	1.8
111.02028	6.1
111.02776	2.4
112.98820	12.4
114.05610	2.3
117.02007	1.7
120.04575	1.9
122.02479	7.0
124.04057	3.5
126.05678	2.1
128.03535	2.8
130.28970	1.7
132.03011	2.1
140.03558	11.1
142.99887	10.0
145.01450	2.4
152.03546	19.1
153.03123	8.5
155.03503	1.8
173.00934	8.6
183.01480	2.2
199.10779	2.0
200.05643	37.3
205.03519	4.3
225.08948	1.7
243.03404	2.0
243.06181	26.5
243.09883	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	243.0661
Annotation	2,2',3,3'-Tetrahydroxystilbene
Peak:m/z	Relative Intensity
56.45024	1.3
59.01354	3.9
61.98829	55.8
67.01889	2.8
68.37514	1.7
69.03456	49.9
71.01395	3.0
71.10748	3.5
79.01892	19.9
81.03471	3.8
85.02933	8.3
93.03477	2.0
95.01380	17.4
97.02946	29.3
99.00857	2.4
107.01382	24.3
107.04928	1.9
108.02174	100.0
109.02964	45.9
110.02499	4.4
111.00871	1.9
115.00375	1.9
117.20263	1.6
119.92369	2.0
121.02953	30.9
123.00874	21.1
124.01661	2.5
125.02449	36.8
135.00883	74.2
136.01195	1.9
137.02446	57.5
137.03506	2.8
145.47348	1.6
151.00327	3.1
152.01151	95.3
153.01643	3.3
169.06589	9.4
197.06061	59.2
197.90593	8.3
198.06424	2.1
199.07587	1.9
213.05563	13.6
214.42207	1.7
215.07118	7.2
243.02939	3.5
243.06609	60.6
243.10272	2.9
243.12294	2.1
243.15997	3.1
243.89925	8.2
244.07047	4.0
245.56760	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	242.1762
Annotation	N-Undecanoylglycine
Peak:m/z	Relative Intensity
51.53690	0.3
57.03426	0.3
61.98814	0.5
65.71452	0.3
69.47495	0.9
69.47922	1.6
85.98176	0.4
98.19884	0.6
103.92010	1.8
148.80910	0.4
149.91373	0.6
153.94034	0.3
166.35420	0.4
179.14412	0.5
181.15977	31.9
182.16273	1.4
185.05348	0.3
195.90590	0.5
197.66902	0.3
198.18648	1.4
206.15491	0.4
207.47626	0.4
224.16534	6.5
225.14949	40.4
226.15280	1.9
228.29276	0.4
235.53900	0.3
242.17610	100.0
243.02771	0.6
243.15938	6.2
243.18002	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12230	0.8
55.01864	1.3
57.03436	1.4
58.02981	1.6
59.01374	5.6
66.03483	14.0
68.01398	3.3
69.86526	4.5
70.02992	0.9
71.01375	4.8
72.99287	0.9
82.02984	31.7
83.01383	2.0
84.04521	1.5
87.00869	7.5
88.04037	1.0
93.03456	1.4
94.02982	3.1
96.04534	2.1
99.00864	5.0
108.04544	3.2
110.02479	100.0
111.00859	2.1
111.01996	6.0
111.02770	2.2
112.04044	1.3
112.98811	8.3
117.01937	1.9
119.70993	1.0
122.02487	8.6
124.04025	3.2
126.05642	1.2
127.05164	2.2
128.03526	2.7
129.01942	1.3
129.69112	0.8
132.03050	1.8
139.03934	1.2
140.03535	11.4
141.10220	1.0
142.99846	5.3
152.03542	18.0
153.02991	6.1
155.31866	0.9
173.00896	7.8
181.09747	1.0
182.04523	1.3
183.07811	1.0
189.72144	0.9
199.10905	1.9
200.05641	36.1
201.05914	0.9
202.78984	0.9
205.03568	3.3
210.98225	1.1
225.08704	1.4
243.06264	22.6
243.09813	6.8
244.06436	1.4
263.66800	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1446
Annotation	Annuionone F
Peak:m/z	Relative Intensity
50.73306	0.6
51.72941	0.5
57.03448	11.4
59.01371	3.2
71.30429	0.7
73.02922	1.2
83.05029	0.9
90.51259	0.6
91.58134	0.6
96.59790	0.5
96.96019	0.8
117.32572	0.5
123.08183	3.8
125.02439	1.5
137.09715	3.9
139.11295	2.4
145.80518	0.7
149.09706	5.5
151.11272	2.3
165.12827	2.6
167.14429	1.3
169.01396	1.8
173.24474	0.5
177.12877	2.1
179.10779	1.4
195.13905	37.7
196.14191	1.5
197.11829	0.9
197.15468	1.2
202.01733	0.6
211.02475	1.3
213.05331	0.7
223.13345	0.8
226.06296	0.8
241.05032	1.5
241.14455	100.0
242.14813	5.9
246.47763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1651
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
57.03449	3.7
59.01376	4.9
69.03448	2.8
69.44888	6.2
71.01380	10.7
72.02164	23.8
73.02950	1.1
79.86938	0.8
81.03451	1.9
83.05017	14.9
85.02938	1.8
87.04512	25.9
95.05006	0.9
96.95998	3.5
97.06592	7.6
98.03740	8.0
99.04505	3.8
109.06593	1.3
111.08172	4.0
123.08137	1.3
136.16028	0.7
137.09703	3.0
139.11252	2.2
149.09718	3.8
151.11292	7.3
163.11230	0.8
165.12848	14.8
167.14420	12.8
177.12836	1.3
179.05550	1.9
185.15518	2.0
195.13921	6.5
197.15462	23.9
198.15829	1.7
203.14360	2.3
209.15375	1.3
211.13347	2.5
211.16983	2.9
221.15459	7.3
222.15730	0.8
223.02817	0.8
239.16515	100.0
240.16805	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	241.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.7
61.98835	33.7
65.00311	3.3
71.22919	5.9
82.25803	2.6
83.05037	5.1
92.74924	2.8
97.06590	11.1
103.92036	11.2
108.02185	2.4
109.02990	3.2
111.08174	10.1
149.91391	3.0
165.12840	100.0
166.13222	7.0
179.14557	2.6
181.74385	2.9
182.99501	2.7
184.00246	2.9
197.15485	26.8
198.06897	3.7
207.64865	3.0
209.11876	7.0
213.91586	4.0
226.06319	20.7
240.99785	3.6
241.05145	6.4
241.08685	15.2
241.14450	11.0
241.18103	6.4
241.21721	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1288
Annotation	Drummondol
Peak:m/z	Relative Intensity
57.03451	1.1
59.01366	1.0
69.52729	2.9
71.01381	1.3
72.99310	0.7
77.18208	0.3
91.30016	0.4
95.08655	0.9
121.06584	6.5
121.07400	0.6
123.08187	0.6
131.34842	0.4
137.09717	91.3
138.09305	0.4
138.10092	3.8
149.09706	2.4
150.55923	0.4
151.11269	1.3
163.79135	0.4
165.12862	0.5
167.14391	0.9
175.11293	0.4
193.12321	0.7
219.10294	0.7
221.11781	0.8
225.97827	0.4
239.12878	100.0
240.13220	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	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.95189	0.6
59.01358	1.3
62.21134	0.6
69.71605	3.1
93.82729	0.5
95.05014	1.2
101.06085	8.5
106.07642	0.7
109.06596	4.9
111.08154	5.2
122.03711	0.7
125.09766	1.2
138.06946	0.7
139.04015	13.8
154.06352	31.2
155.06738	1.2
167.14420	10.1
179.05620	2.1
179.10777	5.4
182.05885	3.0
195.13896	100.0
196.14253	6.1
239.12889	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	237.1496
Annotation	Oxyphyllenodiol A
Peak:m/z	Relative Intensity
57.03450	64.7
58.03768	1.5
58.42051	1.5
59.01371	4.5
65.62879	1.7
70.10578	5.9
71.01402	7.9
72.02179	4.6
81.07090	2.2
83.05025	17.1
87.04515	100.0
88.04859	2.0
95.05026	2.6
96.95993	5.2
97.06609	15.3
98.03738	1.9
101.02451	1.6
113.06071	5.8
121.02979	2.2
121.06603	3.2
135.08162	3.1
137.09723	29.9
147.11922	1.6
149.09761	2.4
153.09251	17.6
163.11324	2.0
165.12840	11.2
179.10855	1.7
195.13931	7.1
216.13881	1.6
219.13826	5.1
237.14964	56.5
238.15303	5.2
255.02809	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44302	0.9
59.01377	20.1
61.98816	4.3
66.94631	0.8
70.51280	3.1
74.98733	1.1
74.99077	11.6
75.15635	0.8
85.02951	1.1
87.00872	3.9
91.02209	10.4
93.00128	4.6
123.00895	3.1
125.09574	0.8
137.09698	2.1
147.74709	1.0
149.00993	4.6
151.00308	1.5
161.04536	2.2
179.05589	16.9
194.99170	1.3
195.13852	4.4
206.99612	1.8
223.02824	100.0
224.02843	6.5
239.01649	1.1
239.07210	1.2
239.12848	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	237.1496
Annotation	Oxyphyllenodiol A
Peak:m/z	Relative Intensity
51.56712	0.6
55.01876	2.2
59.01373	10.0
61.98832	3.8
68.01414	0.8
71.01380	3.3
73.02954	1.0
77.66689	0.7
79.95704	0.9
80.02668	1.1
80.91695	0.7
81.03439	2.1
83.01385	0.8
85.02947	6.2
87.04511	1.4
93.03482	0.8
96.96038	0.8
97.02931	0.8
98.20692	1.1
101.02444	3.3
109.02942	1.5
113.02444	0.8
121.02950	2.0
122.03736	14.3
123.04511	1.0
123.08171	1.8
125.09724	2.7
137.09673	1.5
149.09735	1.8
151.07646	1.0
159.72473	0.7
161.04576	1.3
163.07626	2.7
163.11322	0.8
164.08188	0.9
165.09175	1.3
165.12854	3.6
173.98907	0.7
174.18690	0.6
178.09999	9.8
179.10767	100.0
180.07870	4.9
180.11090	4.2
193.08684	5.3
193.15976	1.2
207.02986	2.2
219.13872	2.9
222.05333	1.6
237.07668	2.1
237.11194	2.1
237.14941	84.3
238.05066	0.9
238.15231	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	237.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62183	0.3
54.46906	0.3
59.01388	0.9
65.00346	1.5
67.25020	0.3
69.27737	3.1
71.01405	0.7
85.02991	0.4
91.01927	0.7
93.03494	0.4
101.02466	0.3
101.22195	0.3
107.05054	0.8
108.02144	0.4
110.54301	0.4
113.02457	0.5
119.01365	3.0
121.02950	1.7
133.03082	0.4
135.04591	0.9
147.00877	13.0
147.34785	0.3
148.01591	0.3
149.02470	1.3
151.03998	3.0
161.04575	0.4
164.01166	1.5
175.00421	0.5
179.03488	36.2
180.03838	1.6
193.05005	0.5
207.02969	100.0
208.03346	4.3
221.04510	1.4
222.05313	81.9
223.05658	3.5
237.07655	30.3
238.08058	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0768
Annotation	3-Epiradicinol
Peak:m/z	Relative Intensity
55.01878	0.8
59.01384	1.9
65.00323	2.7
67.01899	2.9
68.99800	2.6
70.67460	1.6
70.67786	0.7
71.01393	4.3
72.99303	2.7
73.02943	0.6
82.00591	1.2
83.01395	4.2
85.02934	1.3
86.00070	0.7
87.00864	2.2
95.01398	1.0
96.99290	1.1
99.00883	1.3
101.02436	1.3
106.00600	1.1
110.00104	4.2
111.00883	24.7
123.00851	1.4
124.01662	14.3
126.69958	0.7
127.00372	10.8
136.98799	19.6
139.00377	21.5
140.01163	41.3
154.99878	4.3
168.00642	73.3
169.01050	2.6
170.03304	0.6
179.03499	1.5
193.08659	0.8
206.94612	0.6
207.03026	3.0
222.05331	2.8
237.07684	100.0
238.05731	1.0
238.07991	5.6
238.77815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	9.6
55.67527	2.2
56.99158	2.7
57.03437	7.4
59.01379	91.8
61.98811	4.8
71.01382	100.0
71.53194	4.1
72.99297	7.2
73.02945	36.8
75.00868	7.3
78.95898	6.1
83.01390	22.6
85.02949	60.7
87.00878	28.9
89.02454	18.3
91.45333	2.5
95.01373	5.5
96.96031	3.6
97.02972	2.7
99.00878	11.8
101.01782	5.3
101.02443	96.7
111.00875	3.5
113.02453	42.1
114.72081	2.5
115.00382	3.9
120.99651	8.8
123.04527	4.0
125.02426	5.3
129.01984	5.6
135.12669	2.4
143.03496	3.1
159.02954	9.3
161.04553	34.4
161.10539	2.4
178.05067	3.0
194.08260	2.8
205.69884	2.5
237.06123	5.4
237.09773	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	237.0616
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
53.52523	0.5
55.20076	0.5
57.03451	3.0
59.01381	6.7
68.99815	0.6
71.01370	3.8
71.53186	0.6
71.53559	0.6
72.99296	1.1
73.02935	1.7
74.02477	0.6
75.00868	6.1
77.80763	0.5
84.02172	1.3
85.02953	5.7
87.00876	100.0
88.01226	1.6
89.02445	1.7
96.96006	1.0
97.02962	1.0
98.03733	0.8
99.00874	1.0
99.04544	0.6
101.02428	1.4
110.51841	0.5
111.00921	0.5
112.51688	0.5
113.02450	0.7
115.00318	0.7
120.99648	1.0
123.04506	0.7
125.02385	0.8
129.01945	15.1
141.01964	0.6
149.02487	1.4
149.06079	0.5
163.11281	2.1
177.04016	1.8
215.53729	0.5
219.05017	0.7
237.04141	0.8
237.06169	9.4
237.14943	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	237.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
59.01384	1.9
65.00323	2.7
67.01899	2.9
68.99800	2.6
70.67460	1.6
70.67786	0.7
71.01393	4.3
72.99303	2.7
73.02943	0.6
82.00591	1.2
83.01395	4.2
85.02934	1.3
86.00070	0.7
87.00864	2.2
95.01398	1.0
96.99290	1.1
99.00883	1.3
101.02436	1.3
106.00600	1.1
110.00104	4.2
111.00883	24.7
123.00851	1.4
124.01662	14.3
126.69958	0.7
127.00372	10.8
136.98799	19.6
139.00377	21.5
140.01163	41.3
154.99878	4.3
168.00642	73.3
169.01050	2.6
170.03304	0.6
179.03499	1.5
193.08659	0.8
206.94612	0.6
207.03026	3.0
222.05331	2.8
237.07684	100.0
238.05731	1.0
238.07991	5.6
238.77815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
60.75242	0.5
61.98830	3.0
63.83593	0.4
65.12421	0.5
70.38371	1.3
70.38725	0.8
71.01374	1.3
76.98748	1.2
101.02470	0.6
106.27081	0.5
121.02959	0.6
136.05226	0.5
136.99004	0.7
137.99063	0.6
148.05287	8.1
149.09729	1.3
151.00586	4.8
152.00641	4.1
162.06822	0.7
175.07660	0.7
176.08516	0.8
177.09203	36.1
178.09592	1.8
190.09999	1.1
191.10718	0.7
192.11560	27.3
193.11990	1.6
201.09238	0.8
203.07101	0.9
217.08711	3.6
218.09473	6.6
219.06847	1.4
220.07092	13.3
221.06665	0.9
236.10500	100.0
237.11057	4.2
237.14914	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17710	1.2
54.09566	1.0
60.02594	1.3
69.41153	10.1
71.01378	20.0
74.80093	1.1
81.61961	1.1
83.24686	1.2
96.95999	1.8
107.16705	1.3
114.99607	1.5
115.00361	9.1
121.02953	100.0
121.18780	1.2
122.03297	2.6
176.07764	1.5
237.07869	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	237.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06260	0.8
59.01388	1.7
59.62016	0.8
68.97240	0.8
69.23545	1.9
69.23952	6.4
71.01379	20.0
73.02936	0.9
80.86279	0.9
96.96023	3.9
99.08169	1.8
101.02432	1.6
115.00380	10.0
121.02958	100.0
122.03290	2.9
137.09726	1.7
177.40698	1.0
209.00922	1.0
216.37631	0.8
222.05414	1.0
237.00499	1.9
237.07831	6.2
237.11510	1.8
237.14893	1.1
255.63583	0.9
257.35297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0616
Annotation	3-Deoxyoctulosonic acid
Peak:m/z	Relative Intensity
55.01868	0.7
57.03450	2.8
59.01381	6.4
65.76950	0.5
66.30376	0.4
69.91598	2.4
70.88654	0.5
71.01381	4.0
72.99309	1.3
73.02956	1.8
74.99118	0.6
75.00883	5.8
83.01371	0.6
84.02162	0.7
84.21960	0.5
85.02945	5.9
87.00879	100.0
87.80360	0.5
88.01212	1.1
89.02436	0.9
96.96004	1.2
98.03737	0.7
99.00902	1.1
101.02444	1.9
105.03821	0.6
113.02503	0.8
115.00384	1.1
119.97617	0.5
120.99641	1.5
123.04494	0.9
125.02502	1.0
129.01950	13.9
147.03023	0.5
149.02486	1.1
159.03012	0.7
161.04556	0.7
163.11266	1.7
177.04080	0.9
193.01428	0.9
219.05179	0.7
237.04163	0.8
237.06178	8.4
237.08144	0.3
237.14886	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1339
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
54.61706	0.4
57.03455	4.3
59.01384	0.7
72.07154	0.5
75.86932	0.4
79.52264	0.5
80.96549	0.4
81.03471	0.8
81.07082	1.0
83.05009	0.8
85.02948	4.5
86.43047	0.4
87.04556	0.8
95.05000	1.1
95.08681	0.8
96.96084	0.4
97.06570	0.5
98.58992	0.4
107.05040	1.0
113.06107	1.9
121.06618	3.2
121.10236	3.8
133.06610	0.7
137.09731	13.0
137.42911	0.4
147.08150	6.9
148.08713	0.5
157.06551	0.9
159.08144	0.5
163.11287	100.0
164.11584	5.4
165.09216	2.0
173.09723	1.8
175.11295	3.0
183.08182	0.7
189.12798	0.9
191.10750	0.8
192.50024	0.4
199.11295	1.1
201.09213	11.0
202.09964	2.3
217.12326	42.8
218.12685	3.1
235.13380	70.0
236.13710	4.2
239.71809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1339
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
54.75775	1.5
57.03447	21.6
59.01380	16.4
60.56886	1.1
64.64623	1.3
64.89810	1.3
69.03442	3.1
69.32104	11.3
71.01385	3.2
73.02946	5.4
83.05022	2.9
85.02956	9.7
86.05663	1.2
95.04997	2.7
98.19923	2.2
99.04523	10.9
101.97979	1.4
103.40473	1.3
105.07118	2.3
108.77122	1.1
109.00719	1.3
109.06596	4.1
113.06097	1.7
121.06605	6.7
123.08150	4.4
133.06541	2.6
135.08160	6.0
137.09734	16.3
147.08150	2.1
148.08994	3.4
149.09731	17.1
151.07668	2.0
159.08203	2.1
161.06052	2.5
163.11278	59.8
164.11502	2.0
167.95149	1.4
175.07600	3.8
175.11263	2.3
177.09204	100.0
178.09543	4.7
189.09319	1.7
191.10776	35.2
192.11086	1.5
193.12241	7.0
199.11356	1.8
201.09123	3.0
217.12350	14.3
235.13370	27.8
235.15778	1.7
236.09225	2.0
236.13608	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.2
60.97498	0.6
69.69997	0.7
70.96806	1.1
71.69563	0.6
73.20544	0.7
73.34946	0.6
74.99071	8.8
91.02227	1.1
93.00137	1.7
93.03469	1.4
118.96278	1.5
134.99406	7.4
136.97337	1.7
143.05281	1.0
149.00957	71.8
150.01036	2.4
159.08507	2.3
161.06354	2.5
173.04578	1.1
215.05640	1.8
217.07201	97.2
218.07329	6.9
233.10332	100.0
233.15366	18.5
234.10396	7.7
234.15697	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1546
Annotation	Confertifoline
Peak:m/z	Relative Intensity
59.01380	0.8
69.17326	0.2
71.16216	0.3
71.16548	0.2
82.73930	0.2
86.49062	0.2
90.03274	0.2
93.03469	0.2
119.64580	0.1
173.04634	0.2
217.12372	0.5
233.15459	100.0
234.15799	7.0
250.12289	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50988	0.9
57.03448	20.4
59.01378	16.2
63.26907	1.1
69.03445	2.6
69.40541	7.1
71.01378	3.2
73.02953	5.5
83.05035	1.6
85.02946	8.0
87.04504	0.9
95.05011	2.9
97.06590	1.0
99.04520	11.2
103.43084	0.9
105.07115	1.6
109.06615	5.0
111.04570	0.8
113.06094	1.8
121.06593	6.4
123.08187	5.5
133.06584	2.4
135.08167	6.6
137.09727	17.3
147.08197	1.1
148.08920	4.6
149.09723	17.4
159.08171	1.9
161.06114	1.3
161.09663	1.5
163.11284	60.5
164.11636	2.9
165.12811	1.7
175.07579	5.2
175.11240	2.4
177.09204	100.0
178.09567	3.8
190.14120	0.9
191.10768	35.1
192.11147	2.3
193.12323	7.1
194.12628	1.1
199.11270	2.1
201.09175	3.0
202.10007	1.3
207.13965	1.5
217.12347	15.1
220.11037	1.0
235.13380	26.3
236.13695	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	228.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05618	0.3
59.01382	0.3
61.94080	0.3
66.03478	1.0
69.49744	2.0
78.70074	0.3
79.95735	35.8
80.96515	22.9
88.04046	0.3
94.98084	1.0
96.01418	0.3
96.95966	0.4
98.20621	0.6
106.19798	0.3
106.98087	16.5
108.04573	0.7
110.02505	1.5
114.05595	0.4
116.58607	0.3
120.04548	6.7
134.06015	0.3
146.06081	0.8
155.45749	0.4
162.05583	2.3
164.07172	3.0
194.05446	0.4
212.68372	0.3
228.03349	100.0
228.20438	0.4
229.03680	3.6
229.07169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80469	1.2
58.33994	1.2
59.01371	5.3
66.03481	10.2
69.80631	4.5
71.46937	1.0
72.04556	1.7
73.01160	6.6
80.05064	2.4
82.02983	6.7
82.17467	0.9
88.47048	1.1
88.52646	1.2
93.03455	1.2
94.02999	2.1
96.04556	29.7
96.05171	2.3
97.27462	1.1
98.02474	1.2
98.20592	1.2
98.99096	4.3
99.02760	1.0
107.05018	4.2
108.04552	30.4
110.02477	4.0
114.00191	81.6
114.05604	1.8
115.04063	1.4
119.05032	2.0
122.81879	1.2
125.06101	2.1
130.08719	6.6
137.02386	1.3
142.03322	100.0
143.03595	2.7
143.11922	2.2
151.03990	7.3
166.09753	1.1
169.01399	1.7
186.02315	35.5
187.10963	5.9
188.09230	2.4
203.07253	1.3
211.02408	1.1
213.12424	1.8
230.01270	67.9
230.08200	2.3
230.10265	2.5
230.15460	2.0
230.99593	3.4
231.01581	2.4
231.06644	4.4
231.08627	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	232.0097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	5.1
57.03426	5.2
59.01102	6.9
59.01379	98.5
61.98820	7.8
66.03463	3.3
67.01881	4.3
69.03440	4.6
71.01379	46.5
71.04988	4.5
71.54047	5.2
72.99311	6.5
73.02956	21.6
74.02489	5.0
74.24214	3.8
82.03020	3.6
83.01368	9.1
83.05022	7.3
85.02971	26.1
86.02478	4.0
87.00854	3.4
88.04038	20.1
93.03452	11.1
95.01364	6.6
95.05008	4.2
96.04550	6.4
99.00872	9.8
99.04543	3.8
101.02434	37.4
101.06079	11.8
111.04472	5.3
113.02442	15.2
116.07189	4.2
125.02421	10.0
132.06668	5.5
142.05087	5.2
144.08492	9.3
152.04366	6.8
159.02927	3.7
161.02419	14.8
169.01372	8.9
171.09306	4.8
173.04530	11.9
186.04019	5.1
186.11281	5.2
187.98854	4.2
188.07426	7.0
189.59679	3.9
206.08762	4.6
214.07251	5.9
232.02884	4.6
232.06281	8.0
232.08237	11.3
232.10042	6.1
232.11945	7.9
233.00954	11.8
233.04623	3.8
233.10493	19.7
233.15439	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	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
58.04784	0.8
61.98825	1.9
67.01884	0.9
69.87698	3.7
70.69313	0.7
71.01398	1.0
75.71854	0.6
78.69791	0.6
83.05037	0.8
95.01393	1.4
98.19956	1.0
99.92576	1.0
111.00890	1.3
111.08128	0.8
137.02429	1.0
139.11250	1.6
155.47910	0.7
160.20952	0.8
165.12840	17.2
166.13232	0.8
183.13890	100.0
184.14209	5.4
184.85342	0.7
209.11752	2.5
227.03532	1.5
227.07106	1.8
227.12869	17.6
227.16528	3.1
227.20100	7.3
228.06696	0.7
228.13177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03434	0.4
59.01375	0.5
61.08068	0.3
62.00073	0.3
69.27269	2.8
83.05028	0.5
111.08176	1.2
119.96624	0.3
132.70532	0.3
134.86354	0.3
139.11304	0.3
158.24881	0.3
163.11264	0.3
165.12843	19.1
166.13165	0.7
180.56209	0.3
183.13895	100.0
184.14246	4.7
209.11806	3.5
227.03433	0.5
227.12872	15.9
227.20183	0.7
228.13190	0.7
229.99992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.67531	0.5
54.25123	0.6
61.98814	0.7
69.03471	0.5
82.16361	0.6
111.08154	1.0
165.12837	19.2
166.13171	1.1
183.13890	100.0
184.14226	4.9
209.11833	1.3
227.12866	16.8
227.20155	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2016
Annotation	Myristic acid
Peak:m/z	Relative Intensity
67.01881	0.6
70.43237	0.3
74.11189	0.4
79.30440	0.4
90.52902	0.4
95.01421	0.6
97.60054	0.5
102.43728	0.4
104.04246	0.4
111.00892	0.8
124.80697	0.4
139.00345	0.4
165.12914	0.8
183.13892	3.9
227.20158	100.0
228.20486	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	227.0924
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
50.15790	0.6
58.66223	0.5
59.01358	0.5
71.01366	1.0
71.54285	0.9
72.99310	100.0
73.99670	1.2
75.00874	3.2
88.04057	4.4
96.96014	0.7
97.02969	0.5
112.00733	0.5
112.07716	0.6
113.06076	1.1
113.14817	0.6
122.03693	0.7
123.08168	0.9
130.11819	0.5
132.03050	1.9
137.02551	0.6
138.06877	1.4
139.06709	0.6
139.07616	3.0
151.07660	3.6
152.08437	3.5
153.09196	1.7
159.36102	0.5
165.09219	4.6
183.13918	1.9
209.08113	2.9
227.09259	33.0
227.12534	2.9
227.20154	0.9
228.09254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0357
Annotation	5-(2'-Carboxyethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
54.04551	1.3
57.03421	1.6
58.80802	1.3
62.33045	1.3
67.01890	19.9
70.50780	4.2
71.01389	25.8
80.96522	1.8
83.01380	2.6
85.02966	1.5
85.38947	1.5
89.02410	1.6
93.03434	3.5
99.00879	12.2
110.02482	100.0
111.00886	29.6
112.98808	19.1
114.01931	1.9
115.00375	42.5
120.04570	2.5
129.01944	4.3
138.05605	3.6
139.07639	1.6
140.12791	1.4
164.03558	8.0
173.00897	6.3
182.04582	56.6
183.04846	2.2
208.02505	5.5
226.03577	47.7
226.99599	2.1
227.03751	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	226.0357
Annotation	Stizolobate
Peak:m/z	Relative Intensity
52.68067	1.4
57.03435	2.1
61.98823	1.6
67.01884	17.4
69.03442	1.4
69.81330	7.2
71.01385	23.7
83.01384	1.8
85.02949	6.7
85.38754	1.3
93.03421	3.9
94.02982	6.4
95.01379	2.3
95.05001	1.9
96.04541	2.4
97.06586	8.9
98.03747	2.7
98.20609	2.8
98.81281	1.5
98.92410	1.5
110.02482	100.0
111.00880	18.4
111.02773	1.8
111.08157	4.4
112.07623	2.2
113.03573	2.2
114.01909	1.5
115.00368	38.8
120.04532	5.4
121.06538	2.2
122.02472	2.1
123.04542	6.5
125.02423	1.7
129.01910	5.6
136.04022	3.7
138.05598	9.2
139.06622	2.2
139.07642	34.0
139.08713	2.0
140.07114	1.8
149.06114	9.9
151.07645	1.8
153.09268	1.6
164.01122	2.0
164.03532	8.7
166.05125	1.6
167.07146	27.0
182.04573	61.7
183.04956	1.7
183.11191	1.4
183.13853	2.8
184.31770	1.3
203.48131	1.5
208.02448	7.4
209.08214	2.9
226.03539	46.5
226.07120	3.4
227.03716	3.2
227.05730	2.5
227.09238	5.8
227.12860	2.7
227.20053	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1861
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
59.01387	2.3
61.98829	4.9
65.00330	10.5
65.99792	0.9
71.53184	1.5
83.05046	1.9
92.99818	1.0
93.03465	13.7
97.02959	0.8
109.02944	1.1
111.30718	0.8
119.07641	0.7
121.02979	0.7
126.90511	2.7
136.98820	10.2
137.02441	3.0
137.43492	0.7
153.01965	1.0
163.00267	0.8
163.11212	0.8
165.01974	1.0
178.99878	1.2
181.01437	1.4
181.04781	0.8
206.99373	3.0
207.10345	1.4
207.17485	1.4
210.05238	0.9
220.13722	0.8
224.80431	1.2
224.90526	2.1
224.96803	1.6
225.00435	5.8
225.11337	2.8
225.18599	100.0
225.92744	1.5
226.18994	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1497
Annotation	Annuionone G
Peak:m/z	Relative Intensity
59.01380	100.0
60.01712	1.1
60.99308	0.4
61.07533	0.1
70.98895	0.3
92.12120	0.1
93.03452	0.5
96.96014	0.2
163.11281	1.7
180.04375	0.2
180.05780	1.1
181.06561	1.3
181.12332	4.1
182.12766	0.2
183.04463	1.0
195.03050	0.2
206.84013	0.1
207.10318	0.2
225.05583	5.7
225.07538	0.3
225.11334	0.9
225.14955	18.5
226.05934	0.5
226.15263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1133
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
57.03432	2.3
59.01371	1.5
62.90082	1.0
69.03465	1.3
71.01391	1.0
71.54495	1.5
73.02932	1.3
73.69814	0.9
81.03465	1.8
83.05030	3.3
93.03447	2.9
95.05031	5.0
96.96015	21.5
97.02954	2.8
97.06573	3.3
103.08927	1.0
103.17267	0.9
107.05037	7.8
109.02946	1.3
109.06597	3.8
110.03712	2.8
111.04517	14.9
111.08136	3.3
111.76485	0.9
121.02933	1.3
122.03744	1.0
123.04526	5.5
123.08134	1.7
124.05312	5.1
125.02462	1.4
125.06083	31.4
126.90489	1.6
135.08145	1.7
137.02435	2.3
137.09746	2.9
138.06862	21.2
139.07706	6.5
145.08655	1.8
147.08189	2.3
148.08946	2.3
149.02507	1.6
151.03947	2.6
151.11360	1.7
153.09212	29.3
156.04248	1.0
161.09724	1.0
163.11287	100.0
163.39920	0.9
163.65088	0.9
164.11662	5.0
165.09209	3.1
166.09984	1.8
167.03485	3.9
170.05460	1.0
177.01845	1.0
177.09193	1.5
179.10777	1.6
181.12350	11.1
187.63008	0.9
195.03047	4.5
195.06543	1.2
207.10248	11.5
210.05319	3.0
210.08983	1.0
225.04204	1.2
225.08047	8.2
225.11301	64.5
225.14967	4.0
226.11610	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	223.134
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03452	8.1
59.01374	3.9
66.53886	0.5
71.32732	1.2
83.05025	54.9
84.05349	1.0
85.02986	0.8
96.96017	4.8
97.06588	43.4
98.95585	1.1
99.08206	0.9
107.05032	2.4
109.06558	1.0
111.08165	1.2
121.02984	1.4
121.06594	4.2
121.10239	1.0
123.08184	1.7
125.02399	0.7
135.08160	1.6
137.09721	6.6
147.08162	5.0
149.02505	1.0
161.09746	1.2
163.04106	0.7
163.11287	77.3
164.11670	3.0
177.12814	1.4
179.07211	0.6
179.14413	38.8
180.14731	2.2
193.01381	2.0
205.12296	1.0
208.03793	1.7
223.02638	1.0
223.06071	2.3
223.13385	100.0
224.13710	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	223.1339
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03439	2.4
59.01377	11.5
60.29885	1.0
61.98530	2.0
61.98829	31.5
65.00314	1.1
69.03461	6.6
70.97967	2.8
71.01374	3.1
71.05006	3.4
73.02953	2.1
74.99084	2.3
81.03456	1.4
83.05052	1.4
85.02963	2.7
85.06602	1.6
89.00340	1.2
93.03444	1.4
95.01354	1.2
95.05025	1.1
96.95998	6.7
97.02931	1.1
98.36378	1.0
101.02426	2.5
107.01380	1.5
107.05106	1.0
109.06608	1.3
111.08083	1.1
113.02464	1.9
121.02920	2.7
123.00894	1.4
123.08259	1.3
125.09673	1.8
133.06622	1.2
135.00839	1.7
135.04523	1.5
137.02527	1.1
141.86769	2.0
149.01006	1.5
149.02448	2.5
149.09749	1.7
151.00320	1.8
151.04002	4.1
159.97382	3.4
161.06020	1.3
161.13293	2.4
163.03967	2.8
164.04721	1.4
165.01952	1.6
166.06337	8.0
166.44980	1.2
167.10773	10.7
176.83716	4.4
176.98320	2.0
177.12813	1.4
178.99820	1.9
179.10788	4.2
179.14409	9.8
180.94112	2.8
193.01459	7.1
194.99333	2.5
195.13895	31.2
196.14175	1.7
205.12337	18.5
208.03781	7.7
222.95197	3.0
222.98906	1.3
223.02776	16.9
223.06068	6.8
223.10260	5.3
223.13385	100.0
224.02844	1.3
224.13704	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	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.5
57.03453	14.7
59.01389	16.1
60.21638	1.7
61.94678	1.6
61.96172	1.9
67.01868	2.5
69.03451	2.9
69.68626	10.8
71.01383	31.6
71.64207	2.0
72.99308	40.4
73.02948	5.9
75.00866	15.1
80.96514	3.9
81.03439	12.7
83.01382	12.8
84.02172	31.4
85.02951	100.0
87.00876	10.9
88.01666	2.3
89.02439	5.7
91.02222	3.1
96.96000	6.3
99.00866	13.8
99.04515	16.4
101.02435	6.5
111.00880	24.7
112.98817	4.5
113.02416	4.1
115.00362	6.3
117.01888	2.5
119.78809	1.9
125.02438	33.2
128.01149	4.2
129.01944	50.5
133.01401	7.2
135.01218	5.4
143.03517	11.8
147.03004	21.4
155.00020	1.8
161.04620	10.9
161.05818	2.6
169.01382	2.4
174.93951	2.0
187.02460	2.2
191.01987	5.3
198.32245	1.7
205.03542	45.9
223.04572	74.3
224.04865	3.9
244.95485	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01717	0.9
62.48433	0.4
65.96074	0.5
71.51240	0.6
97.36318	0.5
98.25945	0.4
101.54230	0.5
141.01703	32.4
142.02052	0.6
223.02907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0282
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
59.01369	0.6
59.73366	0.2
59.96727	1.2
61.98822	2.4
67.77872	0.2
71.01377	0.3
71.03400	0.3
72.68858	0.2
74.99069	18.3
75.96214	0.7
75.99027	0.5
85.02937	0.2
88.83203	0.2
89.00301	0.2
93.00127	6.1
96.96018	0.3
112.10635	0.2
113.02399	0.2
149.00946	12.8
150.00952	0.5
150.98883	1.1
151.00035	0.2
151.04047	0.2
152.96761	0.2
159.97374	0.3
163.03960	0.2
164.04715	0.2
165.01863	0.3
176.98212	0.3
179.10695	0.2
193.01401	0.6
194.99458	0.4
206.99675	5.6
207.99730	0.3
208.03748	1.0
208.97656	0.4
223.02814	100.0
223.13336	1.8
224.02850	7.0
241.03859	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1546
Annotation	Kobusone
Peak:m/z	Relative Intensity
58.21516	0.2
59.01371	0.6
62.14195	0.1
68.67253	0.2
70.43829	0.6
126.67300	0.2
127.07625	0.6
139.50835	0.2
148.05281	0.5
149.06084	0.4
151.07639	0.5
164.08398	2.4
196.07466	0.2
205.12317	1.8
206.12656	1.2
207.13911	1.2
220.14667	4.6
221.15445	100.0
222.15791	5.4
235.13330	0.9
243.14050	0.2
243.45932	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.077
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
52.97945	0.9
55.23072	0.9
59.01377	5.2
61.98851	1.0
70.68288	2.3
70.68623	1.3
71.01374	3.0
72.00903	2.0
72.33042	1.2
72.99294	1.7
73.65215	1.1
74.02471	100.0
75.00875	1.5
80.96518	3.2
83.01374	1.5
85.02946	3.8
86.02470	21.8
91.05528	3.5
96.96013	2.9
101.02434	2.4
103.05546	1.9
107.05017	1.9
111.00892	1.5
119.05020	2.8
129.01933	2.3
132.08185	10.8
135.04623	1.0
147.04514	64.3
148.04837	2.7
149.02423	1.1
149.06082	9.3
160.07657	3.5
162.05458	1.3
163.03957	1.8
164.04781	1.5
164.07169	3.1
170.87343	0.9
176.07146	4.5
178.01398	1.1
178.08725	28.5
179.00041	1.2
180.06673	3.7
193.01355	1.8
204.06743	1.6
205.03491	1.3
208.03720	2.0
222.07709	70.5
222.30246	1.1
223.02708	4.2
223.04401	2.1
223.06229	2.4
223.08055	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	221.0819
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
55.01860	1.7
59.01378	28.1
61.98830	10.9
62.47637	1.6
69.03456	43.7
69.47508	4.7
69.47934	6.4
71.01379	1.8
71.05022	100.0
75.02405	3.2
77.03971	2.0
83.01400	1.5
85.02968	1.6
87.00884	1.9
93.03474	4.7
99.04520	1.8
101.02464	2.5
107.05030	6.8
113.02535	1.7
117.34005	1.6
119.01364	1.8
121.02954	52.1
132.62842	1.8
134.03745	20.0
147.00870	7.7
147.08168	4.5
149.09718	14.0
153.20769	1.6
155.98094	1.8
164.96432	2.4
177.02032	2.0
177.09229	20.6
184.61154	2.0
190.99835	4.8
193.01297	2.0
193.08679	3.0
221.01004	2.3
221.04765	8.0
221.08185	30.7
221.11809	4.1
221.15320	3.1
222.08180	1.8
222.27400	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	221.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
59.01378	28.1
61.98830	10.9
62.47637	1.6
69.03456	43.7
69.47508	4.7
69.47934	6.4
71.01379	1.8
71.05022	100.0
75.02405	3.2
77.03971	2.0
83.01400	1.5
85.02968	1.6
87.00884	1.9
93.03474	4.7
99.04520	1.8
101.02464	2.5
107.05030	6.8
113.02535	1.7
117.34005	1.6
119.01364	1.8
121.02954	52.1
132.62842	1.8
134.03745	20.0
147.00870	7.7
147.08168	4.5
149.09718	14.0
153.20769	1.6
155.98094	1.8
164.96432	2.4
177.02032	2.0
177.09229	20.6
184.61154	2.0
190.99835	4.8
193.01297	2.0
193.08679	3.0
221.01004	2.3
221.04765	8.0
221.08185	30.7
221.11809	4.1
221.15320	3.1
222.08180	1.8
222.27400	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	221.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.2
57.03447	6.2
58.00588	1.5
58.02980	0.7
59.01378	35.6
63.50904	0.7
64.78738	0.6
69.03436	1.5
71.01383	10.6
71.01730	1.1
71.05003	1.3
72.99308	27.4
73.01180	2.4
73.02946	28.9
74.00692	2.4
75.00866	7.8
76.42268	0.6
80.96528	1.3
81.03458	6.1
83.01385	58.9
83.05029	4.5
84.01714	1.1
85.02951	13.7
87.00884	6.1
87.04507	1.5
89.02438	4.1
95.01376	1.2
97.02963	1.8
99.00877	14.8
99.04523	6.2
101.02430	3.7
103.00365	15.9
109.02971	1.3
111.04509	2.4
112.01660	2.0
112.98756	0.9
113.02464	2.2
114.03246	0.9
115.00394	1.0
115.04011	2.3
117.01933	2.2
117.91411	0.6
125.02437	2.9
125.99581	1.1
126.90112	0.6
127.00371	100.0
127.03999	3.1
128.00711	1.7
129.01932	8.3
129.05589	0.7
131.03506	6.3
135.01242	1.4
136.00684	0.9
141.01944	2.5
141.05598	0.9
143.03503	2.5
145.01443	1.6
147.02907	0.9
153.01965	1.1
159.02969	5.4
161.04602	3.5
179.05630	1.2
185.04568	1.3
186.58441	0.7
189.00398	38.0
190.00671	0.7
203.05653	3.7
221.02994	1.9
221.06644	38.1
222.07117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79617	3.1
57.03449	4.7
57.69135	2.9
59.01379	100.0
60.99308	9.4
70.30521	3.1
71.01383	16.5
71.52734	4.3
72.99313	87.0
73.01166	4.1
73.02947	26.2
75.00871	18.5
78.95940	3.8
81.03459	8.2
83.01395	45.3
85.02966	19.0
87.00891	6.7
89.02448	12.4
99.00877	10.1
99.04506	10.0
101.02436	6.1
103.00359	14.1
106.24717	2.9
115.00370	7.4
125.02436	6.5
126.99497	4.1
127.00388	76.5
131.03503	3.9
133.01440	19.4
135.04779	3.3
143.03433	4.8
145.01459	4.2
159.03036	4.6
161.04535	12.8
177.05745	3.3
189.00400	34.5
221.04631	3.7
221.06641	33.4
221.10147	4.1
222.07668	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	219.139
Annotation	Glutinosone
Peak:m/z	Relative Intensity
51.18747	0.7
56.70316	0.9
59.01376	1.4
61.98531	1.6
61.98832	21.5
67.81841	1.0
70.63744	0.8
70.97586	2.0
71.01347	1.0
75.00874	2.5
75.26385	0.9
79.05544	1.6
80.02664	0.9
81.03464	8.6
93.07076	1.9
95.05019	6.7
105.07072	1.0
106.04241	2.1
107.05016	2.2
108.62906	0.9
113.06081	3.2
119.05009	1.4
120.05783	2.9
127.03902	1.0
129.07104	2.3
132.05850	1.6
133.06581	1.3
134.80289	0.8
138.07254	1.0
143.08664	1.4
145.10217	1.5
147.04514	1.1
152.04738	1.0
157.06667	4.7
159.08061	1.2
159.11787	19.6
160.12083	1.0
169.10226	4.6
170.07405	1.4
171.08160	8.0
172.08969	5.4
172.88354	3.4
175.03967	2.0
175.57333	1.0
181.69876	0.9
185.09755	5.8
187.11279	100.0
188.11633	5.1
203.10825	1.5
204.11458	1.3
219.03020	2.5
219.06641	2.9
219.10445	1.4
219.13951	35.5
219.17509	51.2
220.14262	1.3
220.17845	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	219.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.2
59.01368	3.5
66.73180	1.0
68.41154	1.3
68.99794	1.2
69.03451	2.5
69.47643	8.2
71.01368	1.3
71.05013	2.1
81.03452	26.4
83.01386	40.5
85.02975	3.1
87.04520	4.5
88.04021	5.7
89.04383	1.8
97.02947	38.3
99.04512	28.6
115.04008	7.1
119.66321	1.3
125.02445	100.0
127.00385	10.3
132.04536	1.3
143.03479	17.2
147.08514	1.7
149.06085	2.2
154.45067	1.1
157.05031	5.6
159.02989	35.0
161.02470	1.4
163.23654	1.1
169.69757	1.1
177.05489	2.9
187.02483	32.6
191.07253	1.7
201.04005	1.8
219.02953	1.8
219.04720	9.0
219.06908	8.5
219.10645	1.3
219.17509	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	219.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66129	1.1
55.01874	2.1
57.03452	5.9
58.99582	1.7
59.01140	1.1
59.01379	10.1
61.98830	5.3
64.95320	1.0
69.03449	3.1
69.99280	1.0
71.01369	4.3
71.05022	1.1
71.51137	1.5
72.00906	1.7
72.99300	2.3
73.02958	1.3
74.02468	4.0
75.00861	1.7
78.95877	1.3
80.96498	1.6
81.03452	30.2
83.00908	2.2
83.01390	35.1
85.02950	12.0
86.02481	6.3
87.00866	4.9
87.04507	9.3
88.04037	4.3
89.04377	1.4
92.05029	1.3
93.29923	1.0
93.31063	1.0
95.05010	4.0
97.02950	37.3
98.03273	1.4
99.00867	1.9
99.03902	2.1
99.04520	32.7
100.04006	1.0
101.02441	1.4
113.02514	1.4
113.06110	5.6
113.07004	1.0
115.04009	9.1
125.02445	100.0
126.02792	2.5
127.00377	12.3
127.03838	1.2
129.01970	5.7
129.05580	2.4
131.03572	2.7
132.04555	5.7
138.51903	1.2
139.04021	4.3
143.03500	14.6
144.04568	7.0
147.08559	1.5
149.06114	1.9
157.05087	9.2
157.06406	1.5
157.07707	15.8
159.02994	41.0
159.06635	1.6
175.03935	2.4
177.05528	2.7
187.02466	34.5
191.03328	2.1
201.02254	2.0
201.04025	28.7
201.05672	1.2
202.04359	2.0
215.58995	1.1
219.03181	2.0
219.04919	17.2
219.06772	4.6
219.08437	1.8
219.17516	37.4
220.17899	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	219.0774
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
53.86440	0.5
55.01878	0.8
57.03442	2.5
57.16266	0.5
59.01377	7.1
61.98822	1.4
69.03474	0.8
71.01360	1.3
71.05016	1.4
72.99317	0.6
73.02973	0.6
74.02478	0.5
80.96500	0.6
81.03452	13.5
83.01383	17.9
83.05026	0.6
85.02961	3.7
86.02473	1.4
87.00884	1.9
87.04519	3.0
88.04029	1.6
89.04407	0.5
92.05067	1.5
97.02946	16.1
99.00882	0.7
99.04512	14.3
101.02438	1.0
111.04458	0.5
113.04282	0.9
113.06057	0.7
115.03275	0.6
115.04014	5.0
118.61006	0.4
119.05053	0.5
120.01244	1.3
120.04486	0.7
125.02444	45.5
126.02811	0.9
127.00397	4.4
128.05135	0.5
129.01929	1.3
130.06648	2.2
131.03735	1.8
132.04530	1.2
134.06114	1.2
134.36546	0.5
143.03493	7.1
144.04570	1.6
145.01389	0.9
146.04919	2.4
146.05934	0.5
147.08444	0.6
149.06017	0.6
157.05084	3.3
157.07701	100.0
158.08072	4.4
159.02985	16.2
159.06706	0.8
160.03236	0.6
163.03931	0.9
175.04059	0.7
175.08768	2.5
175.11267	0.7
175.44916	0.5
177.05548	0.9
187.02477	16.3
188.02750	0.6
190.02737	0.7
191.03491	0.8
199.11069	0.5
201.04053	1.6
201.06609	3.2
219.03027	2.4
219.05064	5.1
219.07759	8.7
219.10188	0.8
219.14178	0.8
219.17516	14.5
220.17764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
59.01373	2.7
60.28158	0.5
70.08215	1.6
70.08624	1.1
71.01381	11.4
71.05022	19.8
72.00911	0.8
81.03454	1.0
83.01379	1.3
88.04040	100.0
89.04379	0.5
95.16824	0.5
97.02934	1.5
99.04511	7.1
104.48475	0.5
112.70343	0.5
115.03954	0.8
116.03532	1.0
116.07156	3.3
124.01631	0.7
125.02454	4.3
129.05545	0.7
135.04530	0.9
137.02490	0.9
143.03427	0.9
146.08226	52.8
147.04399	0.6
147.08574	0.9
149.06046	2.3
158.03600	0.5
158.23204	0.4
159.02988	1.5
159.04427	0.8
161.02406	0.6
162.03156	0.8
163.07608	0.8
174.88406	0.5
175.03960	1.0
177.05594	2.8
187.02397	1.2
191.03516	0.7
191.07024	0.6
200.04317	0.7
201.05511	0.9
218.05724	1.0
218.08415	1.2
218.10306	24.0
219.03131	1.1
219.06628	11.1
219.10306	0.7
219.17534	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	218.1032
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
56.98479	0.6
59.01381	2.9
68.20831	0.5
70.65988	0.6
70.83181	1.2
71.01377	10.8
71.05023	19.7
72.00940	0.8
81.03471	1.1
83.01380	1.9
87.00890	0.7
88.04042	100.0
89.04391	1.1
97.02935	1.2
99.04530	6.6
109.02941	0.7
116.03585	0.9
116.07172	2.2
121.02960	0.7
121.06580	0.8
124.01646	0.7
125.02437	4.1
127.00403	0.6
129.05566	1.0
131.05048	0.6
135.04533	1.2
137.02457	1.6
143.03537	0.8
146.08231	46.6
147.08498	1.7
149.06047	2.6
154.50548	0.5
159.03020	1.0
159.04506	2.4
161.02431	1.3
162.03223	1.4
163.07661	0.8
166.84543	0.5
175.03981	2.1
176.01328	0.6
176.04706	1.3
177.02008	0.7
177.05565	5.8
187.02415	1.2
191.07101	1.4
200.04387	0.9
201.05611	1.1
203.03462	0.5
218.05733	2.1
218.08427	0.8
218.10321	20.5
219.03171	1.1
219.06622	21.6
219.10712	0.7
219.17509	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	218.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27759	1.0
55.01880	2.1
56.26150	1.3
57.03446	10.6
59.01378	15.2
66.03488	2.0
69.03448	3.6
70.02972	3.0
71.01382	35.6
71.30090	1.6
72.99311	32.3
73.02950	5.4
75.00856	2.4
81.03468	7.7
82.02971	3.3
83.01389	15.9
84.00941	5.6
84.02156	1.1
84.04541	4.3
85.02953	55.3
86.02486	8.3
87.00880	37.0
87.04518	1.3
88.01219	1.3
88.04042	5.9
94.02971	3.5
95.01376	1.4
96.04571	10.1
97.02959	13.8
99.00908	6.2
99.04513	8.6
100.04007	1.4
101.02432	2.7
102.05597	4.9
103.00360	3.5
106.80386	1.4
110.02495	3.4
112.00412	49.3
112.04063	11.8
113.01706	2.1
113.02449	27.7
114.01951	2.0
115.00355	3.0
115.03977	3.1
125.02452	27.7
126.05652	1.6
127.00385	2.5
128.03543	19.0
129.01956	17.5
130.05080	3.0
131.03487	5.3
138.01939	2.0
143.03508	4.3
143.86746	1.2
146.04568	7.3
146.08228	2.8
156.03029	17.0
156.06667	1.7
157.01347	3.4
157.05055	2.7
159.02988	10.4
172.02498	2.2
174.04059	11.9
175.02499	5.3
182.00812	1.2
187.02483	10.7
191.79332	1.3
200.02089	2.1
200.05675	3.0
201.04080	1.3
218.03049	100.0
218.06615	3.4
219.03287	2.2
219.05109	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	217.003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53746	0.5
59.01379	100.0
60.01722	0.6
61.98828	10.4
64.51611	0.5
70.53365	0.7
70.53697	1.2
70.61999	0.5
90.97141	1.5
96.96018	6.1
107.21313	0.5
118.96653	1.0
124.89107	6.5
129.97990	0.5
132.98203	2.4
142.24873	0.5
142.55948	0.5
154.13210	0.5
170.88708	3.9
174.99246	28.6
188.89507	3.6
215.45839	0.5
216.87943	0.7
217.00278	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1081
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
56.20959	0.5
57.03465	1.1
59.01378	28.7
60.44131	0.6
65.08061	0.6
68.58997	0.5
69.51815	3.4
69.52232	0.9
96.96006	4.1
98.20751	0.8
107.09624	0.6
111.08172	2.2
113.09756	3.4
136.30408	0.6
137.09720	1.2
138.01990	0.8
139.07632	1.6
143.07140	0.7
143.77251	0.7
149.31335	0.7
155.10773	34.0
156.11076	1.1
157.08693	100.0
158.09071	3.4
175.11206	1.1
190.76596	0.6
199.09724	8.9
217.06686	1.0
217.10736	33.1
217.12262	2.2
218.11076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1233
Annotation	Chromoarnottione
Peak:m/z	Relative Intensity
57.03448	36.5
59.01360	2.2
65.61694	1.1
70.10593	4.7
70.93432	1.3
73.39592	1.2
78.14398	1.1
86.74259	1.2
91.05515	2.4
91.78247	1.1
113.49478	1.3
133.06592	4.7
135.08145	1.9
144.05835	2.3
155.04572	1.3
157.06766	1.6
157.10252	1.5
159.08160	4.1
160.08896	1.6
161.06044	1.4
173.09679	8.1
175.03972	1.4
175.11279	21.5
176.11604	1.8
199.11340	2.2
201.09204	17.8
202.09932	7.9
215.10745	3.7
217.01515	2.0
217.05316	5.7
217.12329	100.0
218.12692	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	218.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.2
57.03447	9.7
58.00602	1.1
58.25062	1.1
59.01380	16.1
64.79440	1.3
66.03502	1.8
67.01884	1.4
69.03455	3.0
69.85482	3.4
70.02976	2.2
71.01379	34.7
71.05012	1.8
72.00896	1.4
72.99303	27.9
73.02936	5.6
74.44836	1.0
75.00859	2.9
76.69187	1.0
81.03440	8.1
82.02975	2.9
83.01382	13.7
83.05003	1.6
84.00915	7.2
84.02144	1.1
84.04556	3.6
85.02946	56.0
86.02474	5.4
87.00876	42.5
87.04513	3.3
88.04034	8.1
89.02452	2.1
94.03009	2.7
95.01366	1.6
96.04547	15.7
97.02945	11.0
98.02503	2.7
98.03258	1.3
98.20633	2.1
99.00877	4.0
99.04519	7.4
101.02435	4.2
102.05596	5.1
103.00319	1.3
103.04010	1.9
110.02477	3.9
111.00896	2.3
112.00401	42.2
112.04042	13.7
113.02451	26.5
114.01972	2.2
114.02761	1.3
114.05630	2.2
115.00378	2.2
115.04002	2.2
125.02450	22.1
126.05581	2.4
127.00412	2.9
128.03539	20.9
129.01944	23.1
130.05101	3.4
131.03502	6.8
138.01985	2.6
143.03529	4.1
145.08299	1.1
146.04616	11.7
146.08224	3.2
153.11986	1.2
156.03040	15.9
156.06667	4.2
157.01385	1.6
157.04982	1.2
159.03012	10.2
172.02527	2.9
174.04059	11.7
174.07695	2.9
175.02480	4.8
187.02512	7.5
200.02058	2.0
200.05649	3.8
218.03040	100.0
218.06641	6.3
219.03247	2.4
219.05106	5.7
225.05013	1.1
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
57.03428	0.5
57.07767	0.5
57.57439	0.5
59.01372	1.5
61.98812	1.8
65.00379	0.6
65.38973	0.5
66.64876	0.5
70.89497	1.2
97.02958	1.0
99.19431	0.5
109.02950	0.6
120.89857	1.2
125.02409	0.5
137.09691	1.2
141.10304	0.6
155.09662	0.5
169.06538	0.6
169.12321	1.4
183.13896	26.8
183.57272	0.6
184.14354	0.8
194.99355	1.3
195.13892	22.2
196.14287	1.1
197.99168	1.1
200.87637	0.5
211.13356	0.8
213.00241	0.9
213.03752	0.6
213.05571	1.3
213.14954	100.0
214.15298	4.3
233.10040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0924
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
59.01381	100.0
60.99305	1.0
63.13094	0.8
70.71175	1.2
70.71526	2.1
75.17167	0.8
86.11730	0.8
90.52338	0.8
107.95770	0.9
111.08163	9.8
141.82158	0.8
144.14629	0.9
153.09236	7.5
155.07137	3.9
171.10272	20.1
172.19247	0.9
197.08200	2.2
215.00963	1.2
215.09233	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	215.14
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
51.90478	0.7
58.02963	1.3
59.01380	1.8
62.00752	0.8
66.41862	0.8
68.45115	0.7
69.39984	3.2
69.40412	2.9
72.00903	3.3
72.04546	1.0
72.99281	0.8
74.02469	9.3
82.02980	10.7
82.06629	2.0
84.04546	22.4
84.80463	0.8
85.02947	0.9
86.02473	4.4
98.02472	1.1
100.97202	0.8
101.07233	1.5
103.87302	0.8
114.09267	1.1
116.03525	1.8
123.80325	0.8
127.05120	2.2
128.03540	15.8
128.10831	3.7
141.10341	8.6
142.12416	1.3
144.00938	1.7
154.12422	1.8
167.11891	5.1
168.08965	1.1
168.10316	1.1
169.13458	8.4
171.10252	1.3
171.15025	12.6
173.08286	0.9
181.44577	0.7
195.11360	1.7
197.12946	87.4
198.13200	3.3
212.65167	0.9
215.01013	12.0
215.03172	1.4
215.09338	2.5
215.13991	100.0
216.14250	4.6
222.77217	0.9
236.76953	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90834	0.3
59.01378	100.0
60.01712	0.7
69.68276	1.8
90.97129	1.4
114.98873	0.5
118.96660	1.0
132.98192	3.0
136.29459	0.3
156.99930	1.0
174.99234	27.0
175.99591	0.5
188.71198	0.3
217.00282	24.3
218.00546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1338
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
59.01371	2.0
61.58526	0.7
61.98829	31.7
65.00326	1.2
67.01884	1.3
68.02230	0.7
68.99825	1.1
79.11720	0.7
81.03461	0.7
81.07078	1.3
92.99702	0.7
95.01389	4.2
97.06606	3.8
109.06612	3.3
111.00898	0.9
111.08143	2.4
121.02946	1.2
123.00893	2.3
125.04359	0.8
127.00419	0.7
133.86205	0.8
136.98825	0.8
137.09769	1.2
138.07018	1.1
139.00345	1.8
139.03987	2.0
146.73616	0.7
153.09198	1.9
154.06377	9.4
164.98283	1.5
166.99837	0.6
167.06107	1.6
167.14401	11.2
167.26141	0.7
181.01414	2.1
183.13940	2.4
186.05330	1.8
192.97710	1.7
193.12349	1.2
195.10239	2.5
196.03864	0.9
210.95013	7.2
210.98814	1.4
211.13396	100.0
211.94675	3.9
212.13756	4.5
213.77422	0.7
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	Putaminoxin
Peak:m/z	Relative Intensity
59.01364	1.9
61.98829	47.9
65.00323	1.7
70.37915	4.4
71.01375	1.4
90.16111	1.3
95.01387	7.5
97.02996	1.5
97.06686	1.2
111.00902	1.6
117.80061	1.3
123.00903	3.7
123.03389	1.6
123.08167	1.8
136.98808	1.3
137.02423	2.5
137.09712	2.3
138.06870	2.0
138.35175	1.1
139.00363	2.4
148.01669	1.8
153.05495	1.3
153.09195	5.2
164.98277	4.6
167.06056	2.0
167.10760	1.9
167.14412	2.1
181.01427	2.9
181.05057	2.1
183.12357	1.8
183.13879	14.3
192.97707	3.3
193.01300	1.6
193.12329	5.3
196.03825	3.9
210.94984	6.9
211.03647	11.4
211.05753	2.1
211.13385	100.0
211.94656	5.4
212.13643	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.9489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04995	0.3
59.01376	1.8
61.98830	100.0
62.98535	0.9
63.99261	1.0
65.26256	0.2
69.44478	0.8
69.44894	1.1
84.85080	0.3
94.02991	0.7
95.36469	0.2
124.04032	1.2
164.96356	0.5
165.94162	0.8
182.87959	0.3
209.94897	23.8
210.90837	0.3
210.94919	1.3
211.13326	0.6
211.31483	0.3
215.14285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
57.03441	6.3
69.03460	1.3
69.61678	2.8
69.62079	4.1
71.05016	1.1
83.05023	1.8
87.04517	2.3
95.05003	4.6
97.02951	4.9
97.06572	3.5
107.05003	1.1
109.06559	2.9
113.09708	1.2
117.07641	1.3
121.06577	4.9
122.03758	1.3
123.07265	1.6
123.08156	28.4
126.06841	1.7
135.08150	2.8
136.05270	1.8
137.06128	1.5
137.09714	84.0
138.06860	49.1
138.10068	3.6
150.06848	4.1
151.07552	1.5
152.08409	1.7
153.09207	100.0
154.09567	3.4
163.11276	13.5
164.08472	1.7
165.09233	1.9
165.12779	5.4
175.11270	5.4
178.09973	3.1
181.12392	1.5
183.13887	7.2
191.10660	1.3
193.12320	97.5
194.12663	6.0
211.13374	59.3
211.15410	2.6
212.13660	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	211.1339
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
57.03452	4.2
62.36352	1.1
69.03448	1.4
69.18159	13.0
75.07125	1.4
76.67607	1.1
87.04524	2.4
95.05016	1.3
97.02941	2.0
97.06586	3.8
107.05023	1.8
109.06569	3.0
113.09753	1.8
121.06616	3.4
123.08162	24.9
126.06950	1.5
135.08115	1.6
136.43799	1.3
137.09720	81.8
138.06854	20.0
138.10066	3.1
149.06007	1.4
150.06807	3.1
151.07613	1.2
152.14842	1.3
153.09201	46.2
154.09734	1.2
163.11295	12.5
165.09094	1.8
165.12843	5.5
175.11266	4.3
178.10039	3.3
183.13892	5.9
193.12325	100.0
194.12650	4.8
209.84207	1.3
211.02440	2.9
211.13373	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	209.1182
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01863	1.2
57.03450	2.6
59.01371	2.7
59.67911	0.7
61.98829	87.1
65.00323	2.0
66.03465	0.9
69.03460	1.9
71.01379	3.1
71.54844	1.1
80.02679	0.9
81.03434	3.6
83.01389	16.9
83.05013	2.8
84.02161	0.9
85.02938	1.8
91.01884	2.1
92.99812	3.4
93.03463	2.8
94.02982	3.1
95.01413	1.1
95.03355	1.2
95.05029	2.0
95.09571	0.7
97.06585	4.2
108.02157	0.8
111.08152	0.9
115.94925	0.7
120.02167	1.1
121.02954	100.0
122.03293	2.8
123.08146	1.7
124.04064	5.5
125.09720	16.4
128.91170	0.7
135.08174	1.8
136.01653	1.2
136.98811	2.7
137.02496	2.0
137.06090	1.1
138.02039	0.8
139.04018	0.9
141.74806	0.7
147.11787	1.0
149.02441	1.2
149.09729	0.8
151.11272	2.9
163.11299	8.2
164.98228	3.6
165.01939	1.3
165.05544	1.7
165.12805	5.7
167.10789	1.0
173.09808	0.9
179.03528	2.3
179.10638	0.7
180.67247	0.7
181.12376	4.2
190.99831	1.3
191.10767	7.4
194.05826	2.0
198.38820	0.7
209.00945	3.2
209.04568	11.6
209.06361	1.3
209.08388	1.5
209.11810	62.8
209.94884	23.0
210.12122	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	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
56.15799	0.5
57.03455	2.9
59.01379	100.0
60.01712	1.3
61.06770	0.5
61.98836	0.6
62.18744	0.5
69.52718	1.5
69.53142	2.4
80.02715	0.6
81.03459	1.8
96.96072	0.5
97.06600	2.3
109.06586	3.9
121.02962	8.5
165.12845	2.9
209.04550	0.8
209.11812	13.0
227.54204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	(+)-Epijasmonic acid
Peak:m/z	Relative Intensity
57.03432	3.2
59.01373	2.6
61.98830	33.1
65.00322	4.7
69.03445	1.9
70.09501	3.1
71.01383	8.4
71.05021	0.8
73.02964	0.9
75.63296	0.9
80.02673	1.0
81.03451	2.3
83.01370	3.3
83.05019	3.1
85.02958	1.6
87.00858	1.1
91.01895	2.3
92.99799	5.2
93.03439	3.1
94.02980	3.4
95.01382	1.9
95.05022	2.3
95.93324	0.7
96.95972	0.7
97.06595	2.8
98.20504	1.0
107.53599	0.8
108.11372	0.8
109.06567	1.4
111.00883	0.9
111.08163	2.4
121.02956	100.0
121.89767	1.0
122.03273	4.0
123.04515	0.8
124.04073	6.0
125.09763	4.0
125.10513	0.8
135.04521	1.1
135.08154	1.1
136.01616	1.3
136.98817	4.1
137.02498	2.0
137.06032	0.9
145.10251	1.3
147.11789	1.3
151.11275	12.3
153.12822	1.7
163.11304	5.4
164.94215	0.8
164.98259	4.3
165.01935	1.4
165.05634	1.5
165.12843	11.6
173.09720	1.3
179.10712	2.7
181.12337	14.7
190.99838	1.2
191.10745	7.6
194.02165	1.9
209.00928	5.0
209.04562	13.5
209.06403	1.5
209.11816	57.0
209.94887	9.2
210.07735	1.6
210.12135	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	209.0819
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
57.03440	1.5
59.01369	3.7
61.98828	41.9
64.91238	0.5
65.00313	2.8
67.01894	0.6
68.71011	0.4
68.99778	0.4
71.10590	0.8
72.99301	0.4
73.23006	0.4
81.03455	16.2
83.01392	2.2
85.02927	0.9
88.97160	0.4
91.01894	1.2
92.99818	1.5
93.03471	1.5
94.02998	1.9
95.01386	1.1
95.03335	0.6
95.05048	0.7
96.95991	0.4
97.02988	0.5
99.08172	2.4
101.06100	2.2
107.01400	1.5
109.02977	0.9
120.02155	0.9
121.02953	48.4
122.03292	0.8
122.03711	0.6
123.08165	7.7
124.01662	0.6
124.04041	2.7
124.19312	0.4
125.02449	6.8
125.06078	12.5
126.06474	0.4
129.14989	0.4
135.04533	0.7
136.01726	1.0
136.05301	1.6
136.98816	0.9
137.02414	0.8
137.06070	1.2
139.00404	0.5
141.09236	1.3
147.08186	1.5
149.06033	0.5
150.06802	0.6
151.00354	2.5
151.04004	0.8
161.02481	0.8
164.98297	0.8
165.01926	0.7
165.09200	67.8
166.09506	2.6
178.99866	0.6
179.03497	1.5
179.05069	0.4
190.99889	0.4
191.07130	2.5
194.02116	0.8
194.05791	1.4
209.00920	1.1
209.04587	6.8
209.08179	100.0
209.11716	3.9
209.94893	12.7
210.08540	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	209.1182
Annotation	(+)-Epijasmonic acid
Peak:m/z	Relative Intensity
53.41492	0.8
57.03452	3.8
59.01377	2.6
61.98828	42.0
65.00333	3.2
66.03486	1.0
69.03463	2.1
69.52660	4.6
71.01385	9.6
73.02951	1.4
80.02666	1.1
81.03480	2.0
83.01393	2.9
83.05024	4.0
85.02968	1.8
91.01913	2.3
92.99839	5.9
93.03464	3.3
94.02993	3.6
95.01399	1.7
95.03337	1.0
95.05027	2.4
97.06618	2.9
99.35854	0.7
107.05061	1.0
108.02203	1.2
109.06550	1.0
111.00905	0.7
111.08178	1.9
116.05026	0.6
120.02162	1.5
121.02956	100.0
122.03291	3.0
123.04519	0.8
123.08161	0.8
124.04061	6.4
125.02518	1.1
125.09725	4.2
135.08243	0.7
136.01683	1.2
136.98811	3.3
137.02428	2.0
145.10265	1.7
147.11842	1.3
151.11267	14.4
153.12863	1.2
161.02492	0.8
163.11264	6.3
164.98318	3.8
165.01924	1.8
165.05544	0.7
165.12843	13.2
167.10736	1.2
173.09712	1.1
179.03526	1.8
179.05501	0.8
179.10776	4.2
181.12343	18.3
181.13933	0.9
190.23535	0.7
190.99786	0.8
191.10727	8.7
194.02280	1.3
194.05782	1.3
209.00874	2.2
209.04544	9.7
209.06430	1.3
209.11813	56.5
209.94893	12.4
210.07700	1.3
210.12180	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	209.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93517	1.0
55.01873	4.5
55.77624	1.2
57.03450	34.0
58.00585	2.1
59.01379	26.4
68.99829	2.2
69.03436	1.7
70.55694	2.0
70.56086	2.7
71.01383	17.2
72.99298	4.2
73.02946	4.4
73.53628	1.2
75.00864	10.3
78.91887	16.1
79.95757	1.8
80.91682	47.4
80.96519	6.7
83.01388	8.6
83.05025	2.7
84.02164	8.7
85.02953	90.6
86.03259	1.6
87.00877	32.7
87.04501	2.5
89.02434	7.0
96.96017	11.9
97.02955	4.2
97.45681	1.2
99.00871	4.7
101.02438	5.0
111.00902	7.3
112.98772	1.9
113.02421	2.4
115.04012	1.3
121.02942	4.6
122.99132	1.3
126.69895	1.1
127.04008	1.4
129.01942	52.1
129.05591	2.1
130.02280	1.6
134.03691	1.3
135.04475	1.9
136.07689	1.3
141.01942	5.1
142.99864	5.7
148.04028	1.6
150.03291	2.1
157.89934	1.2
159.03011	13.0
165.01988	1.4
166.05055	2.4
166.08699	3.8
173.00845	1.2
190.12090	1.2
191.01942	2.1
191.05544	2.8
194.02301	1.2
198.67912	1.2
208.85004	18.6
209.01248	2.6
209.04932	3.8
209.06647	100.0
209.15437	3.3
209.48236	1.2
210.00774	1.7
210.07359	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	209.0667
Annotation	D-Mannoheptulose
Peak:m/z	Relative Intensity
55.01875	3.3
57.03242	2.1
57.03454	26.1
59.01381	23.0
59.30079	2.1
67.03040	2.3
70.72982	6.0
71.01387	13.2
75.00877	15.5
75.20889	2.3
80.91716	2.7
83.01389	6.3
84.02166	9.3
85.02950	81.0
87.00872	34.7
87.04554	2.3
89.02438	6.4
97.02911	4.2
99.00887	6.8
101.02441	3.7
111.00880	9.4
112.98742	5.5
114.11497	2.2
124.85866	2.5
129.01947	46.9
132.09088	2.2
135.04428	2.6
141.01935	6.1
142.99869	23.9
159.02963	12.0
173.00851	3.0
173.27075	2.3
201.51219	2.3
206.02692	2.4
209.06648	100.0
221.85974	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	207.139
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol
Peak:m/z	Relative Intensity
59.01390	2.8
61.98529	0.8
61.98830	12.9
62.67121	0.4
66.03491	0.9
71.01390	0.9
71.54209	0.4
72.99309	0.5
74.27030	0.4
81.03461	0.5
83.01393	0.5
85.02945	1.0
91.01894	1.7
93.03442	0.5
94.02988	4.0
101.02448	0.4
103.89815	0.4
107.01396	0.5
107.04977	0.4
109.02946	0.7
109.06611	0.6
119.01328	0.8
119.04993	0.7
120.77254	0.4
121.02964	0.8
122.02522	0.4
123.03273	0.9
123.04542	0.8
129.01915	0.7
135.00877	1.2
135.04509	1.1
137.06140	0.4
149.02455	1.8
151.00357	0.9
151.07645	1.2
151.76828	0.4
163.00378	1.7
163.03983	1.0
164.07095	0.5
167.07149	0.5
177.01913	6.6
177.09227	0.5
178.05060	1.0
178.99852	1.7
179.03419	0.5
184.07430	3.4
191.10738	1.9
192.00632	0.9
192.04272	6.3
192.11450	0.9
206.97511	1.0
206.99345	1.8
207.01178	1.0
207.02908	4.0
207.06644	3.4
207.13896	100.0
208.06151	1.6
208.09723	0.5
208.14214	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	208.9308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50774	1.4
55.43064	1.3
59.01378	100.0
60.01691	1.6
61.98828	92.6
65.00320	2.7
66.03480	2.1
70.48018	5.0
72.99319	1.9
75.00867	2.9
78.91875	2.7
78.95904	6.0
80.91682	12.0
81.03441	1.5
85.02960	1.5
92.92810	3.6
92.99801	2.4
93.03460	4.1
94.02973	9.0
95.01382	1.7
96.96024	2.0
99.92622	5.0
103.91999	7.8
109.02927	2.4
120.95123	6.7
121.02956	48.8
122.89434	4.9
124.04015	10.7
134.89459	3.9
135.04515	3.3
136.95911	2.0
136.98846	2.1
137.02455	2.4
145.95169	1.5
148.86369	2.3
148.90994	2.1
148.93213	7.1
151.04034	1.7
152.94508	2.7
161.02380	1.8
164.94110	62.3
164.98296	2.1
165.01862	2.0
165.09088	1.5
165.94185	1.5
166.94264	11.4
170.88358	5.1
172.88054	6.4
178.99803	1.7
179.03482	6.3
190.85588	2.3
194.02194	3.7
194.05798	4.6
203.20386	1.6
208.78648	7.1
208.82256	11.2
208.93146	22.5
209.00906	3.6
209.04556	13.1
209.06364	2.3
209.08171	3.7
209.11780	4.4
209.94914	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	207.0509
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
52.57904	0.7
53.80656	0.7
55.01872	8.8
57.03445	2.7
58.00585	3.3
59.01376	22.5
64.09521	0.7
69.03451	5.8
70.57563	2.0
70.57923	1.0
71.01380	45.3
72.85758	0.7
72.99305	100.0
73.02945	7.2
73.99641	1.0
75.00858	4.4
78.95908	1.0
83.01379	8.5
84.02177	1.0
85.02950	23.4
87.00868	3.1
89.02444	10.7
92.91565	0.8
94.80021	0.7
95.01389	16.6
97.02944	0.8
99.00884	6.5
101.02451	3.8
103.00389	1.1
113.02444	18.2
115.00372	2.2
117.01939	7.3
127.00360	3.2
127.04020	1.2
127.71875	0.7
129.01944	5.4
131.03470	3.8
132.49655	0.7
133.01419	8.2
147.03000	3.1
149.04572	1.5
171.02953	8.0
189.04036	15.5
207.05109	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	207.0663
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
52.75570	0.4
56.48230	0.4
57.03458	0.6
59.01376	3.3
61.98829	6.6
63.02401	4.1
65.00321	4.0
66.03487	0.8
71.01385	0.5
71.55208	0.5
81.03448	1.0
83.01382	3.9
85.02952	0.4
91.01894	1.1
93.03419	1.0
94.02985	4.4
95.01384	0.6
95.05039	0.5
97.02944	0.4
97.06583	0.8
101.02423	0.4
107.01392	5.7
107.05006	1.0
109.02949	0.4
119.01374	0.8
119.05014	0.6
121.02949	0.6
121.06605	1.3
123.00938	0.5
123.03277	0.8
123.04509	1.6
124.01690	0.7
125.02435	0.8
127.00337	0.6
129.01955	0.4
135.00868	0.9
135.04526	0.8
137.09622	0.4
149.02434	1.3
151.00360	7.1
151.03995	4.7
152.01047	0.4
160.00760	0.4
161.06064	0.6
163.00394	1.0
163.03954	1.4
163.07657	3.8
163.11282	0.6
164.89497	0.7
165.05565	0.6
169.01367	0.6
177.01927	8.4
178.02350	0.5
178.05061	0.6
178.99931	0.9
192.00552	0.7
192.04280	7.1
206.99335	1.0
207.03076	3.4
207.06602	100.0
208.07022	4.5
223.32152	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.139
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
57.03446	100.0
58.03775	1.1
59.01362	2.4
71.01385	1.2
71.05020	1.6
71.52098	1.2
72.78109	0.9
72.99290	0.9
73.02937	0.9
83.05020	5.9
85.06564	1.1
88.04020	2.7
94.02984	1.0
95.05000	3.0
96.96030	2.3
97.06583	3.0
107.05019	1.6
109.06557	2.2
109.10227	1.0
111.08141	3.7
119.08655	1.0
121.06570	3.7
122.03769	1.3
123.04548	1.0
123.08170	19.8
128.84525	0.8
133.25385	0.9
135.08168	2.0
137.06108	1.5
137.09723	72.6
138.10059	2.7
147.08110	1.7
149.06075	1.7
149.09723	10.6
151.07649	2.0
151.11284	8.0
163.07635	2.8
163.09888	1.1
163.11285	21.4
164.04764	1.6
164.08377	3.6
165.09213	1.6
165.12849	20.1
166.13144	1.2
168.36548	0.9
176.21944	0.9
177.01906	4.8
177.05495	2.0
179.10732	3.2
189.09207	3.7
189.12863	4.1
191.10858	1.1
192.00552	1.4
192.04271	7.1
192.07919	15.0
192.11566	2.5
193.04578	0.8
205.12296	1.6
207.03004	2.3
207.06667	2.2
207.10394	16.3
207.13892	90.3
208.14297	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	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
52.21975	0.9
58.02977	33.1
59.58693	1.0
70.02982	14.1
70.99788	0.9
71.08891	1.1
71.09219	2.0
72.00915	6.6
88.68892	1.1
91.05537	14.6
103.05566	1.8
110.19733	0.9
124.32417	1.0
147.04515	38.3
148.04860	1.4
162.09244	1.7
164.07164	100.0
165.07500	5.1
184.52525	1.1
206.08218	34.6
207.08493	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20801	0.9
58.02975	35.5
59.01380	1.1
69.18562	10.4
69.18906	1.3
70.02981	13.7
71.01365	1.1
71.58192	0.8
72.00889	5.2
76.48493	0.8
85.75548	0.9
91.05538	10.0
97.21297	0.8
103.05507	1.1
111.00912	1.0
135.04541	1.9
147.04521	39.9
148.04858	1.3
162.09274	2.3
164.07159	100.0
165.07489	2.6
177.01927	1.9
191.03297	1.1
205.23967	1.3
206.08212	34.7
207.02977	1.0
207.08575	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	206.9744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49085	0.2
59.01384	1.7
61.98830	100.0
63.99262	0.2
69.19564	1.8
75.00847	0.2
78.95941	0.2
79.95750	0.3
80.96521	0.6
94.02954	0.3
97.10388	0.2
98.96340	0.2
99.15115	0.2
113.24045	0.2
117.13392	0.2
123.03341	0.2
127.63597	0.2
135.03046	0.2
136.93993	0.3
162.98485	1.3
163.72649	0.2
163.94389	0.4
177.01935	0.8
178.05182	0.2
192.04271	0.6
206.97453	6.5
206.99593	0.6
207.97681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.7
59.01377	3.6
64.67474	1.2
64.91171	1.2
69.03461	1.8
71.01395	2.3
71.54535	1.3
71.54900	1.8
83.05032	6.3
85.02961	4.3
87.00829	1.3
93.07149	2.2
95.04988	1.6
106.04265	9.5
107.05035	3.2
109.06592	1.4
111.00868	1.6
115.00408	2.6
119.05082	1.2
121.06607	20.4
123.08148	3.9
123.83053	1.2
130.20872	1.4
131.05023	3.4
134.03674	1.6
145.06601	4.1
146.66180	1.2
147.08174	11.6
149.06088	4.0
149.09734	9.1
159.08131	2.0
160.08928	11.5
161.09717	13.3
163.11284	42.8
164.11612	1.6
166.16835	1.2
171.08078	5.9
175.11282	90.4
176.08408	1.3
176.11644	3.8
177.12849	6.5
187.11295	32.9
188.11630	3.0
189.09239	2.8
190.09998	9.0
203.10829	2.5
205.12332	100.0
205.15871	4.3
206.12689	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	205.1596
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
51.72346	0.2
59.01369	0.8
63.64359	0.3
71.01385	0.8
72.99299	0.9
75.00869	0.4
81.23162	0.3
85.02971	0.3
85.90491	0.3
87.00871	0.4
99.00863	0.3
111.00879	1.9
115.00364	0.9
125.02394	0.6
129.01939	0.4
133.02950	0.4
145.01382	0.3
149.09688	0.3
161.02481	0.4
161.06059	0.5
162.89348	0.4
177.01837	0.3
189.12845	2.1
203.36678	0.3
205.01424	0.6
205.15961	100.0
206.14337	0.4
206.16286	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	205.1233
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01865	1.7
55.54023	1.6
57.03440	4.0
57.11416	1.4
59.01371	3.1
69.03477	1.3
69.31927	12.8
71.01382	3.5
72.99300	3.5
79.05513	1.5
81.03447	2.3
83.05024	4.4
85.02955	5.1
87.00850	2.7
106.04240	7.2
107.05016	4.0
111.00848	1.8
115.00374	4.1
119.08665	1.3
119.54169	1.7
121.06599	21.2
123.08113	2.9
125.02435	3.9
131.05038	5.1
145.06587	3.3
147.04556	1.9
147.08188	10.4
149.06108	6.9
149.09743	7.5
159.08168	2.7
160.08942	10.3
161.06049	2.4
161.09712	13.1
163.11282	39.2
164.11618	1.4
171.08092	6.9
175.11276	96.9
176.08289	1.6
176.11617	5.5
177.12836	9.2
187.11278	30.9
189.09140	2.4
190.09975	9.0
203.10762	2.7
205.12323	100.0
205.15979	5.2
206.12656	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	205.1232
Annotation	(S)-(+)-Ibuprofen
Peak:m/z	Relative Intensity
59.01381	12.7
60.09954	3.0
71.01382	16.0
72.99309	12.3
75.00875	5.1
87.00868	4.9
93.07091	7.3
98.92114	3.1
99.00878	9.5
99.04519	6.6
101.02419	5.0
105.07088	10.6
111.00900	10.8
115.00356	17.5
119.05025	3.7
125.02478	7.1
127.00387	4.8
143.17003	3.3
145.01414	9.7
150.06879	28.2
161.06123	4.8
161.13344	45.0
205.12331	100.0
205.15915	19.1
206.12700	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.1
57.03441	6.1
59.01379	55.6
67.01877	4.0
68.99803	4.0
69.59617	8.9
71.01380	28.2
71.05024	16.4
72.98930	2.2
72.99308	24.0
73.02955	12.6
75.00870	11.8
78.56948	1.6
81.03448	7.7
83.01366	5.9
83.05022	7.7
85.02953	9.4
87.00884	22.2
87.04543	1.3
87.52970	1.2
89.02460	1.8
94.35082	1.3
96.99294	2.1
97.02964	2.4
97.06567	2.0
99.00866	14.4
99.04514	40.1
101.02444	42.8
103.00336	1.7
111.00146	2.6
111.00875	35.8
112.98763	1.7
113.02414	1.8
115.00367	23.1
115.04018	28.4
117.01920	3.7
117.05572	5.5
117.07051	1.8
119.01707	2.7
120.01236	2.3
124.98786	4.5
125.02453	100.0
125.06114	3.1
126.02804	2.4
127.00366	4.8
127.03996	1.6
129.01910	4.9
142.99838	5.5
143.03531	17.4
143.07098	4.0
145.01437	46.5
145.05051	5.8
154.99841	6.2
161.02370	2.1
161.04439	3.4
161.06062	4.2
163.06097	1.5
173.01004	3.4
175.02411	2.8
187.02477	26.8
187.04236	1.7
187.04568	1.8
187.06081	18.5
205.01642	3.1
205.03503	34.8
205.05060	2.3
205.07104	6.8
205.08865	2.6
205.15977	7.6
206.08214	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.6
57.03442	8.6
59.01376	66.1
61.98826	3.6
65.56066	1.8
67.01902	10.2
68.99796	5.9
69.03448	2.3
70.00976	8.3
70.01353	2.6
71.01379	40.0
71.05010	10.2
72.99306	30.5
73.02942	19.2
75.00873	18.2
78.15507	1.6
79.95732	4.4
81.03451	12.7
83.01384	7.9
83.05020	3.8
84.02173	3.2
85.02951	12.8
87.00876	38.6
89.02440	2.1
89.08747	1.7
95.95232	4.2
96.76640	1.9
96.95986	8.6
96.99299	3.5
98.20523	3.6
99.00888	21.3
99.04521	33.5
101.02435	48.4
103.00385	1.9
111.00882	89.7
111.01662	4.2
112.01239	2.1
112.98801	5.0
115.00367	39.7
115.04008	18.9
117.01955	10.0
119.01705	3.8
120.01260	3.0
122.03725	12.7
123.04073	6.6
124.98795	5.9
125.02443	100.0
127.00376	5.1
129.01942	8.7
131.03438	2.1
142.99878	9.4
143.03487	19.1
143.07104	5.8
145.01425	39.3
145.04990	12.4
154.99899	11.4
173.00902	5.6
175.02467	3.1
187.02466	21.2
187.06055	5.8
205.03487	36.8
205.05363	3.3
205.07130	6.5
205.16054	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	203.0825
Annotation	Tryptophan
Peak:m/z	Relative Intensity
55.08943	0.7
69.16168	8.6
72.00909	23.4
74.02473	31.8
88.96214	0.9
116.05063	100.0
117.05392	3.0
130.06609	3.5
142.06616	27.2
143.06992	1.4
155.75385	0.8
159.09253	16.1
160.09653	0.8
186.05574	3.6
203.08261	56.0
204.08582	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	203.0826
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
59.14321	0.7
69.84228	0.9
70.70234	1.7
72.00910	23.0
74.02470	30.7
80.02202	0.8
116.05058	100.0
117.05386	2.7
130.06654	2.2
142.06616	24.5
143.07077	1.0
159.09258	16.2
161.04742	1.3
186.05621	4.3
203.08252	55.7
204.08412	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	203.9999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63842	0.2
53.49817	0.2
59.01379	4.4
60.01717	1.3
61.98829	100.0
68.37720	0.2
70.39786	0.7
71.01386	2.3
72.99338	0.7
73.02947	0.7
80.96469	0.3
88.04053	0.7
89.02414	0.4
98.19954	0.3
99.00892	0.7
112.98817	0.4
115.00362	2.2
142.99814	0.3
148.37453	0.3
180.45863	0.3
203.99974	0.5
204.02835	0.7
204.99899	1.1
205.15942	0.3
216.45181	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0197
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
55.01867	1.9
57.03440	4.8
58.02958	2.5
59.01368	2.6
59.99232	1.1
60.99278	2.0
67.01878	2.6
69.03455	80.4
70.73725	3.9
71.01380	54.3
72.99306	11.2
75.00866	6.1
79.01893	23.9
83.01382	1.8
85.02962	12.2
87.00871	13.4
87.04519	1.9
89.97701	1.4
95.01390	9.1
97.02949	100.0
97.06567	2.3
98.03275	2.1
99.00874	2.9
110.36209	1.3
111.00877	4.2
113.02473	6.3
115.00391	10.7
115.04009	1.9
115.07624	2.3
123.00876	4.6
129.01927	7.8
141.01949	25.3
141.05598	5.2
159.03017	2.7
160.03998	3.6
160.09845	2.1
161.08104	2.3
185.04572	4.1
186.07741	5.4
203.01974	88.2
204.02359	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	202.0721
Annotation	7a-Epialexaflorine
Peak:m/z	Relative Intensity
50.55438	1.4
55.01864	3.6
55.45861	1.3
55.63863	1.2
57.03440	5.6
58.02966	5.2
59.01378	9.1
69.03444	3.3
70.02973	5.2
70.89104	2.9
71.01379	3.4
72.04554	13.8
73.02921	1.8
74.02468	1.4
74.06140	1.5
79.01833	1.4
82.02975	9.8
83.01389	17.5
84.00889	3.7
84.04546	6.0
84.30265	1.0
85.02958	6.3
85.06588	3.2
86.06113	38.2
88.04052	1.2
94.02991	1.5
94.63005	1.2
96.04539	3.8
97.02936	4.7
98.02478	100.0
98.06097	4.1
100.04061	14.1
110.06107	3.4
112.04045	24.4
112.07681	21.1
114.05617	30.3
116.07169	4.4
122.06139	2.3
124.04018	3.0
128.03564	1.8
128.07181	35.7
129.07506	1.5
130.08734	18.2
138.05571	9.0
140.07175	17.9
142.05078	7.5
143.03485	1.8
149.56950	1.2
156.06659	86.0
157.06973	3.8
158.08224	76.1
159.08525	2.4
160.06145	3.7
175.73993	1.3
184.06145	2.0
190.36765	1.2
202.07201	80.9
203.02039	2.5
203.05615	2.7
203.07516	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	202.0722
Annotation	7a-Epialexaflorine
Peak:m/z	Relative Intensity
55.01868	2.9
56.59846	2.3
57.03444	9.7
57.06572	2.2
58.02973	12.6
59.01377	24.4
69.03447	5.5
70.02972	6.4
70.84254	4.3
70.84586	2.7
71.01380	9.0
72.04543	21.6
74.02471	3.0
82.02991	8.8
83.01392	14.3
84.00929	3.3
84.04552	6.6
85.02942	11.3
86.06121	38.7
94.02975	2.7
96.04535	6.2
97.02939	5.8
98.02475	100.0
98.06103	9.6
100.04055	22.7
108.04552	2.7
110.06113	2.8
112.04053	24.6
112.07677	22.7
114.05608	35.0
116.07186	11.0
124.04079	3.2
124.71486	2.3
128.06284	2.7
128.07188	38.0
130.08745	17.5
130.53137	2.0
135.80566	2.1
138.05612	10.7
140.07176	21.1
142.05069	14.5
156.06656	87.7
158.08229	80.9
158.09575	3.1
160.06120	9.6
184.05995	2.4
202.07210	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.9576
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97172	1.1
59.01378	93.7
60.01705	3.5
66.03478	5.6
69.75838	1.8
69.76237	2.0
71.01350	1.1
76.98241	2.7
82.02979	1.0
83.93104	0.7
87.00922	0.8
90.97098	0.9
94.99310	10.5
97.03008	1.0
98.20492	1.1
99.92585	77.6
100.92609	3.8
102.92317	3.7
103.92036	12.9
104.97740	91.3
106.34954	0.7
115.92045	1.3
116.92855	6.0
118.91803	0.7
118.96642	1.0
130.89729	0.9
130.94373	2.9
131.05067	1.3
132.98193	0.9
141.86815	100.0
141.93634	79.7
142.93665	4.7
144.86963	3.3
148.95410	2.9
148.96692	2.0
158.03630	1.2
158.95149	1.0
159.04472	0.8
159.87878	33.0
159.89336	3.8
160.87996	0.9
160.89291	2.0
160.97655	2.1
161.01208	0.9
164.83614	56.8
165.83673	1.0
166.83308	14.3
174.94649	1.9
174.99197	6.0
201.80203	24.1
201.95789	5.6
202.02722	3.5
202.05055	1.4
202.08771	6.4
202.94141	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.9576
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97172	1.1
59.01378	93.7
60.01705	3.5
66.03478	5.6
69.75838	1.8
69.76237	2.0
71.01350	1.1
76.98241	2.7
82.02979	1.0
83.93104	0.7
87.00922	0.8
90.97098	0.9
94.99310	10.5
97.03008	1.0
98.20492	1.1
99.92585	77.6
100.92609	3.8
102.92317	3.7
103.92036	12.9
104.97740	91.3
106.34954	0.7
115.92045	1.3
116.92855	6.0
118.91803	0.7
118.96642	1.0
130.89729	0.9
130.94373	2.9
131.05067	1.3
132.98193	0.9
141.86815	100.0
141.93634	79.7
142.93665	4.7
144.86963	3.3
148.95410	2.9
148.96692	2.0
158.03630	1.2
158.95149	1.0
159.04472	0.8
159.87878	33.0
159.89336	3.8
160.87996	0.9
160.89291	2.0
160.97655	2.1
161.01208	0.9
164.83614	56.8
165.83673	1.0
166.83308	14.3
174.94649	1.9
174.99197	6.0
201.80203	24.1
201.95789	5.6
202.02722	3.5
202.05055	1.4
202.08771	6.4
202.94141	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.2
58.00574	2.7
59.01381	47.1
61.98835	1.0
65.03928	1.1
69.03455	1.6
70.99171	2.3
71.01367	2.6
72.99320	1.8
73.02943	9.2
80.02672	1.2
83.05024	3.2
85.02957	4.2
87.52695	1.1
88.04041	3.9
95.05025	23.9
97.02924	1.3
98.02521	1.2
109.02949	1.1
111.00881	2.1
111.04536	2.8
113.02479	2.0
113.06090	48.5
114.06384	1.8
117.70396	1.2
129.05569	7.8
130.56720	1.1
139.03993	2.4
139.06113	1.1
155.05463	1.3
156.06618	1.3
157.03639	3.5
157.05055	29.2
173.04538	16.2
183.03018	1.1
201.02539	4.5
201.04057	100.0
201.05760	5.1
201.12393	1.4
202.04433	3.1
202.07156	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	201.1133
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03185	0.8
57.03449	7.7
59.01379	2.0
62.27018	0.5
69.03465	0.9
71.05046	0.6
71.98092	0.5
98.19843	1.2
105.68062	0.5
111.00912	0.4
111.08148	6.0
112.92425	0.5
122.99822	0.5
126.29568	0.5
137.09744	1.7
139.11304	100.0
140.11623	3.6
157.06447	0.6
157.12344	1.4
183.10268	46.8
184.10577	1.9
201.02026	1.3
201.05681	1.1
201.11328	76.8
202.11623	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	201.0403
Annotation	cis-(Homo)2-aconitate
Peak:m/z	Relative Intensity
55.01869	3.7
57.03444	5.4
58.00598	1.7
58.02975	3.0
58.39173	1.8
59.01381	12.1
63.39478	2.0
69.03457	6.7
70.02976	5.1
71.01371	8.1
71.51448	2.8
72.04550	5.1
72.99303	2.9
73.02952	14.7
74.02472	3.5
81.03460	9.3
82.02988	5.1
83.01392	5.0
83.05029	4.4
84.00925	2.3
84.04550	4.3
84.29513	1.8
85.02946	13.0
85.06586	2.2
86.06117	11.1
87.00874	3.2
87.04528	6.4
87.46101	1.8
88.04052	2.9
95.05026	26.5
96.04578	5.0
97.02970	6.9
98.02470	32.9
98.76755	1.9
99.00848	5.2
99.04533	2.9
100.04040	6.9
101.02454	2.3
110.02497	2.4
110.06165	2.2
111.00873	3.4
111.04501	4.8
112.04081	9.2
112.07695	6.6
113.02414	3.7
113.06096	49.6
114.05634	16.5
114.06355	3.0
116.07190	2.2
124.04056	2.3
125.02449	5.2
127.05144	1.6
128.07179	16.1
129.01929	4.1
129.05576	9.7
130.08743	6.2
138.05618	4.3
139.04007	14.2
139.11177	2.0
140.07236	9.2
141.01920	3.3
142.01413	2.2
142.05115	3.1
142.79080	1.9
156.05473	1.9
156.06674	27.5
157.05052	29.0
157.06961	2.4
158.08232	27.3
159.03032	3.0
159.06651	3.4
173.04529	15.4
183.03023	3.7
200.04971	1.9
201.04042	100.0
201.05777	9.8
202.07193	29.2
202.08827	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	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01710	0.6
62.31736	0.3
62.38086	0.3
69.78777	1.6
69.79168	0.6
157.03564	5.7
159.01505	1.7
201.02542	10.9
202.02644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24139	0.5
51.32732	0.5
52.04954	0.5
59.01378	100.0
60.01720	0.7
61.98819	2.5
63.49002	0.5
66.03487	1.8
71.54276	0.9
95.01396	0.5
99.92583	16.2
101.92496	1.2
102.92355	0.8
115.92067	0.9
116.92854	2.6
117.03474	0.6
118.94202	0.6
127.87144	0.6
128.87823	1.4
128.90073	5.8
129.10364	0.7
130.89737	0.6
139.11276	0.6
141.86816	33.9
141.93639	18.0
144.94032	0.5
145.02899	0.6
157.03554	3.6
158.89357	1.3
159.01489	2.7
159.86050	0.5
159.86331	0.6
159.87874	10.1
159.89267	1.0
162.83537	0.6
163.83961	6.9
164.83607	62.7
164.90546	0.6
165.83655	7.4
166.83318	20.8
173.02464	0.6
173.06110	0.5
200.80505	4.8
200.92159	1.1
201.02554	9.6
201.05482	3.4
201.07353	0.6
201.09433	0.9
201.11378	2.3
201.80205	32.5
201.95792	1.2
202.05135	0.7
202.08797	1.5
208.12358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1703
Annotation	Isolauric acid
Peak:m/z	Relative Intensity
51.43713	0.6
55.01863	0.8
58.26028	0.5
59.01346	0.6
61.98826	1.0
65.00318	1.0
67.01881	2.1
68.99810	1.2
69.37488	0.7
69.37897	4.5
83.01379	2.7
92.99827	4.8
96.63826	0.6
96.96009	0.7
99.00878	0.8
111.00890	3.8
126.71930	0.5
127.00359	1.8
136.98814	1.9
147.22598	0.6
154.99817	1.2
155.10782	0.9
156.89508	0.8
180.97632	0.5
198.98868	0.8
199.17032	100.0
200.17372	4.3
207.52734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.134
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
54.97852	0.5
58.52354	0.6
58.63346	0.5
59.01378	100.0
67.01894	1.2
71.05009	0.6
71.55769	0.7
74.15961	0.6
79.95759	2.7
80.29920	0.6
83.01398	1.5
83.53881	0.5
85.02952	0.7
92.99825	0.8
96.95992	3.0
99.00851	0.7
108.02171	0.8
111.00909	1.3
127.00383	1.4
136.98740	0.6
143.71175	0.5
144.02467	0.5
153.12860	0.5
155.10800	2.1
155.11992	1.0
174.51784	0.6
199.09521	0.9
199.11340	1.0
199.13388	14.6
199.17067	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	198.0771
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
56.17212	0.6
59.01364	1.0
61.98821	3.6
69.38638	6.4
80.96528	1.0
82.02974	1.0
82.59971	0.7
85.02950	1.1
93.89374	0.8
95.05042	1.6
96.96026	1.4
108.04556	2.4
110.06187	1.0
112.04060	0.8
113.06071	0.9
114.05666	1.0
118.76122	0.8
121.05354	1.1
122.06122	3.9
124.07679	100.0
125.02512	1.1
125.07990	2.8
126.02775	1.1
127.05962	0.7
134.06152	2.0
136.07677	54.9
137.08043	1.7
138.05597	2.0
143.05000	0.9
154.05070	2.1
154.08727	1.9
168.06660	10.4
180.06657	52.6
181.07031	2.1
183.06279	0.7
188.16814	0.9
198.04155	0.9
198.07698	8.8
199.04010	2.5
199.06015	1.2
199.17046	0.9
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
59.01354	0.9
59.73357	0.6
60.94892	0.7
63.60521	0.8
71.05033	0.8
73.49047	0.8
79.95742	3.8
83.01366	1.1
83.05010	1.4
85.02978	0.8
90.14959	0.7
93.03470	1.1
96.96014	2.8
99.00872	2.3
99.08147	0.9
111.00863	1.4
113.02474	1.0
127.00366	1.5
127.04044	1.0
135.68550	0.7
136.98772	0.8
137.09732	6.1
139.04056	1.4
155.10780	100.0
156.11116	3.6
156.89516	0.8
170.46727	0.7
181.08719	1.4
181.12489	1.0
184.00223	1.0
199.06128	1.9
199.09688	7.6
199.13377	6.8
199.17036	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
54.16916	1.0
55.30681	1.2
59.01355	1.8
61.98827	5.3
65.00319	1.3
69.03468	1.4
71.05016	1.1
71.13020	2.5
81.26819	1.0
83.01379	1.3
85.21785	1.0
87.44633	1.1
95.01391	3.1
97.02954	1.6
97.06594	11.0
99.08154	5.0
100.23391	1.5
103.97665	1.8
109.02936	2.7
111.04517	1.4
116.92810	1.3
121.02960	4.3
122.03780	2.7
123.00885	12.8
123.04518	1.2
125.02444	4.1
126.90501	5.6
129.86528	1.0
135.08150	1.3
137.09702	1.5
138.03226	3.2
151.00340	1.8
151.11264	1.1
153.01886	3.4
153.05557	3.5
153.12851	100.0
154.13194	2.8
162.83887	2.4
166.99858	9.6
178.99818	2.2
179.03429	1.4
179.10762	21.0
182.02203	22.7
182.05850	1.7
196.89503	2.0
197.04472	7.2
197.06224	2.1
197.08134	2.8
197.09991	1.7
197.11775	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	197.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91756	1.9
57.03441	4.0
59.01384	3.2
61.98830	20.0
64.44244	1.6
65.00316	5.8
66.03457	2.0
67.01885	1.8
68.99824	2.1
71.05015	2.4
71.45805	2.8
81.03484	3.9
83.01371	3.2
83.05030	14.4
92.35994	1.8
95.01388	8.6
95.05027	6.9
97.06592	26.1
97.07190	2.2
97.09135	1.7
98.02476	2.1
99.00791	1.8
99.42168	1.9
108.02207	2.8
108.13387	1.7
109.02951	6.7
109.06619	4.1
111.08171	22.3
116.92840	4.4
121.02937	7.6
123.00885	26.8
125.02445	5.1
126.90520	13.3
137.02446	3.1
138.03215	7.7
147.11804	4.3
149.09697	2.3
153.01949	8.2
153.05547	5.7
153.12831	3.2
154.10016	1.6
160.84218	6.0
162.83905	18.7
163.11261	8.0
165.12846	100.0
166.99847	18.3
169.01367	2.4
178.99815	6.4
179.03404	2.7
182.02211	44.9
182.05788	2.8
197.00668	2.3
197.02187	2.6
197.04576	11.9
197.06154	2.2
197.08167	5.4
197.10094	2.0
197.11807	11.5
197.15465	4.2
197.80794	12.8
198.07724	3.0
209.11841	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01389	1.1
61.98830	4.2
65.00312	1.9
68.19624	0.5
68.99818	0.8
69.03461	2.5
71.53960	0.7
78.95883	0.5
80.96528	0.5
81.03439	0.8
83.01395	0.6
83.05032	1.6
85.02947	0.6
95.01405	2.5
97.06590	0.6
109.02955	1.9
112.01686	0.7
116.92856	1.7
121.02975	1.9
123.00895	6.3
123.04562	0.7
123.08136	0.7
125.01572	0.5
125.02450	1.9
125.09721	0.8
126.90506	4.1
135.08237	0.6
137.02466	0.9
137.09790	0.5
137.47339	0.4
138.03226	1.3
141.09227	1.4
151.11253	1.0
153.01929	1.5
153.05576	2.1
153.09218	2.2
153.12860	6.1
154.01508	0.5
156.14839	0.5
160.84282	1.7
162.83939	5.0
166.99866	5.0
169.12343	19.9
170.12570	0.5
178.99846	1.7
179.10776	2.1
182.02225	10.8
182.05917	0.5
183.02635	0.5
197.00835	0.8
197.04587	3.3
197.11835	100.0
197.80775	4.2
198.07642	0.5
198.12172	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.89981	0.4
55.01876	0.5
56.46349	0.3
61.98833	2.9
65.00355	0.5
69.03455	0.7
69.38497	0.3
69.82603	2.0
71.05006	1.1
82.50903	0.4
83.01370	0.5
83.04999	0.5
94.04221	0.4
95.01396	0.7
97.06590	14.0
98.06935	0.4
98.19671	0.4
99.00928	0.4
99.08152	3.8
100.08449	0.4
102.89080	0.4
109.02959	1.1
109.06611	0.7
110.02444	0.4
111.00919	0.4
111.08155	0.8
121.02943	1.0
122.03747	2.4
123.00886	3.2
125.02422	0.7
125.09743	0.9
126.03260	1.0
126.90469	1.9
137.02458	0.5
137.09727	1.9
138.03197	0.6
150.54016	0.4
151.11272	1.2
153.01950	1.1
153.05586	0.8
153.12846	100.0
154.13177	4.1
160.84204	1.2
162.83945	3.8
166.99854	2.5
169.12317	0.4
178.37668	0.4
178.99774	0.5
179.10767	21.3
180.11061	1.0
182.02202	5.5
190.02521	0.5
197.02156	0.8
197.04547	2.0
197.08093	0.7
197.11819	8.0
197.80794	1.8
198.12160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0818
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
52.69624	0.6
59.01378	4.6
59.04240	0.6
60.99302	3.6
61.66813	0.6
63.02388	1.3
63.78252	0.6
65.00334	1.3
67.01875	1.1
70.99562	1.4
70.99895	0.7
71.01379	2.3
72.05763	0.6
73.02946	2.6
78.01117	0.7
79.97356	0.6
83.01404	1.7
89.00318	7.8
91.01884	4.5
94.17913	0.5
95.01395	5.7
96.96014	0.9
97.02969	0.8
97.06546	0.9
97.09568	0.6
106.00597	8.6
108.02170	1.2
109.06628	0.9
111.00877	1.9
111.04502	6.1
120.05805	13.6
121.02955	82.4
122.03269	1.4
123.00887	22.1
123.04507	4.3
124.01237	0.7
125.02381	0.8
125.06084	4.3
125.09738	3.0
127.00360	2.6
128.74016	0.6
133.06651	0.8
135.08160	100.0
136.08514	3.3
136.98813	2.0
137.02373	0.7
137.06105	5.9
138.03232	6.2
138.06841	2.2
139.00392	1.9
153.05573	43.8
153.09196	22.2
153.99826	0.6
154.02702	0.8
154.05881	2.1
154.09622	0.8
156.04347	0.8
161.21504	0.7
166.99844	9.8
179.07176	3.8
181.01453	0.9
182.02208	26.3
183.02563	1.2
195.06621	0.9
197.04552	22.9
197.08185	47.7
198.04953	0.9
198.08510	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0204
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
50.00323	1.4
59.01367	0.6
60.25581	0.4
61.98846	2.8
62.64791	0.5
64.00675	0.5
64.01919	0.5
65.00325	1.1
65.01448	0.6
65.03945	0.7
65.99840	3.0
67.01894	1.3
68.01429	1.3
68.52578	0.4
68.99817	1.1
69.03449	1.1
69.57928	3.2
72.99307	0.5
76.01930	1.6
77.00334	1.0
78.03490	3.8
79.01873	0.6
81.03461	0.7
83.01409	0.7
85.02980	0.5
91.01904	0.6
92.01425	1.1
92.99785	0.6
93.03458	0.7
94.02983	1.6
95.01377	3.1
95.05023	0.7
97.02933	0.5
98.19912	1.0
104.01415	3.7
104.99822	1.3
105.02246	0.6
106.02989	1.0
108.02167	1.8
109.02943	4.8
111.00852	0.6
111.04506	0.7
112.01645	1.1
119.02528	1.0
120.00923	3.5
121.02934	2.1
122.02484	2.1
123.00894	8.3
123.04499	0.4
125.01196	0.5
125.02460	1.4
126.90506	2.4
132.00932	1.1
133.01715	3.7
135.02008	0.6
136.00410	0.9
137.02425	2.3
138.01988	2.0
138.03206	2.0
150.01965	8.1
151.00392	0.8
151.01486	0.7
153.01933	1.6
153.05614	1.7
153.09224	0.6
153.12801	1.0
160.84245	0.7
162.83920	3.2
163.01482	1.2
166.99872	4.4
167.02271	1.9
168.01772	0.8
169.12263	1.2
178.99655	0.7
179.01109	3.4
180.01750	7.4
182.02217	12.3
182.05806	0.8
183.02599	0.9
197.02046	100.0
197.11830	5.0
197.80780	2.0
198.02324	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1233
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
55.01874	1.2
57.03447	100.0
58.03771	1.6
58.43956	0.8
58.63210	0.8
59.01362	2.7
67.01910	0.9
69.03455	7.6
69.28429	2.8
69.28845	4.6
71.01379	3.3
73.02940	3.6
83.01378	2.6
83.55007	0.7
85.02960	5.0
86.00108	1.2
87.00869	3.3
95.01430	0.8
97.02936	1.9
99.00889	5.0
101.02425	6.7
105.07103	0.9
107.05040	2.0
107.25643	0.9
109.06584	27.7
110.06955	1.0
113.02427	1.2
121.06567	2.8
123.08163	11.7
125.02396	1.9
125.09732	1.7
131.13045	0.7
135.08156	35.9
136.08470	1.9
137.09721	36.8
141.01921	2.5
149.06082	1.0
149.09723	1.0
151.11263	1.1
155.03438	1.3
161.04564	7.8
175.11215	1.7
178.02667	1.1
178.09950	1.1
193.01237	0.8
193.07201	3.5
193.12331	46.2
194.12697	1.5
209.91556	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
57.03449	61.8
58.03799	0.8
69.03451	0.8
69.71220	1.8
69.71633	2.1
71.05042	1.0
79.36541	0.6
80.45600	0.7
83.05025	29.5
85.06577	1.0
87.28675	0.7
107.05037	1.2
109.06584	3.5
111.08160	1.5
120.05769	0.8
121.06589	1.1
123.08167	14.9
134.07399	2.0
135.08163	3.3
137.09727	11.2
139.10320	1.2
139.11296	10.7
149.09727	18.8
150.10074	1.0
151.11264	4.9
151.67102	0.7
161.09738	2.0
165.12842	9.5
167.14453	3.4
177.12857	7.9
179.10710	4.2
193.12364	0.8
195.13908	100.0
196.14273	4.0
203.48546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1234
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
52.66087	0.5
55.01896	0.7
57.03450	100.0
58.03791	1.0
59.01383	2.0
60.27752	0.6
62.08251	0.5
67.01894	1.0
69.03455	8.6
71.01386	2.1
73.02945	3.4
80.72549	0.6
83.01447	1.0
83.05050	1.3
85.02952	3.3
87.00892	1.9
87.82691	0.6
93.03481	0.9
96.96029	0.7
97.02943	1.7
97.06605	1.6
98.19828	1.1
99.00876	2.9
101.02451	2.7
105.07076	0.8
107.05034	1.1
109.06597	27.4
110.06912	0.7
113.02413	0.7
117.41640	0.7
121.06596	3.2
122.40403	0.6
123.00903	0.7
123.08171	11.5
123.08990	0.9
125.02428	0.8
125.09761	1.5
135.08168	31.0
136.08536	1.1
137.09726	37.9
138.10104	1.7
149.06129	0.7
149.09726	0.8
150.06792	0.8
151.11343	1.4
160.83305	0.6
161.04567	4.1
175.11320	0.8
177.09117	0.7
178.09995	1.2
193.07164	1.5
193.12341	43.3
194.12613	2.0
202.05814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99761	1.6
55.01881	9.8
55.30591	1.7
57.03457	10.0
58.00592	4.9
59.01380	32.4
64.98450	1.6
66.23990	1.5
66.67452	1.7
68.99837	2.0
69.03452	17.7
71.01389	53.0
72.38104	1.9
72.99306	6.2
73.02949	61.9
75.00863	2.0
79.01894	3.2
81.03457	5.8
83.01385	24.3
85.02947	69.3
86.00095	8.5
87.00877	43.9
89.02445	4.4
95.01390	13.7
97.02949	33.1
99.00882	51.6
101.02441	69.7
107.01369	2.4
111.00883	7.0
111.09341	1.7
112.01651	3.9
113.02458	13.4
115.03977	4.6
117.01904	2.0
123.00871	6.9
124.01653	3.0
124.15245	1.8
125.02438	28.0
131.03473	3.2
134.03743	2.1
140.01173	8.0
141.01938	19.2
142.02744	3.4
155.03514	13.3
159.03023	3.1
161.04549	100.0
175.06142	4.5
178.02739	2.1
191.05579	2.4
193.07207	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50466	1.9
55.01874	7.4
57.03441	11.1
58.00593	5.6
59.01376	41.7
69.03458	18.8
69.63147	11.2
71.01379	57.0
72.99293	8.3
73.02946	55.1
79.01897	3.1
81.03454	5.2
83.01380	24.6
85.02950	86.4
86.00088	10.6
87.00875	51.3
89.02429	2.8
95.01403	12.7
96.43347	2.1
97.02952	31.6
99.00879	52.6
100.01726	2.1
101.02440	72.5
107.01355	2.6
111.00885	7.0
112.01673	4.7
113.02448	17.5
115.04016	4.8
117.01920	3.1
123.00878	7.3
124.01632	3.4
125.02453	26.7
131.03508	11.3
140.01141	7.0
141.01939	20.6
142.02687	5.9
155.03487	12.6
159.02914	3.9
161.04550	100.0
162.04907	3.6
175.06081	12.4
191.05598	2.2
193.07222	50.8
194.07433	2.0
213.72101	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	193.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29831	1.5
55.01874	6.6
57.03456	12.0
58.00589	2.7
59.01382	60.5
61.07629	1.5
65.64634	1.6
69.03454	14.3
70.97179	2.8
71.01383	35.2
72.99333	9.3
73.02947	39.8
75.00873	1.4
79.01869	1.7
81.03471	3.3
83.01388	18.3
83.04994	1.6
84.02177	2.7
85.02953	100.0
86.00095	4.8
86.03291	1.8
87.00884	31.6
87.03388	3.3
87.04542	2.0
89.01311	3.5
89.02458	4.2
93.03449	2.0
95.01405	8.0
95.05024	9.3
97.02943	18.4
97.27349	1.9
99.00890	26.8
101.02444	40.4
103.00378	7.5
111.00888	12.4
113.01322	9.0
113.02425	10.0
115.03968	1.5
117.01934	2.8
123.00869	4.1
124.01700	2.7
125.02457	12.6
127.04005	2.0
131.03502	42.0
140.01147	3.4
141.01965	12.5
142.02693	2.7
149.09825	1.6
155.03592	7.4
159.03098	1.9
161.04556	47.6
175.01257	1.9
175.06113	49.3
175.83327	1.6
193.07329	64.9
194.07475	2.9
204.56586	1.5
205.86798	1.7
211.38152	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	193.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	8.5
57.03438	7.4
58.00586	3.6
59.01103	2.8
59.01379	36.3
59.94857	1.8
67.01874	1.8
68.99825	1.8
69.03455	17.6
69.06912	1.5
69.86537	7.4
69.86938	2.3
71.01382	58.6
72.99297	6.5
73.02948	62.9
75.00858	3.0
78.75138	1.5
79.01891	4.6
81.03448	4.5
83.01395	26.2
85.02947	69.3
86.00085	10.6
86.03303	2.7
87.00877	47.0
89.02448	7.1
95.01377	16.0
97.02946	27.9
98.20526	3.2
99.00880	53.0
101.02444	77.3
107.01399	3.9
111.00870	6.0
112.01662	3.9
113.02455	16.6
115.03970	2.6
117.01928	5.0
123.00892	7.2
124.01698	2.8
125.02447	23.6
127.04005	1.9
131.03532	2.7
140.01132	7.3
141.01965	20.1
142.02736	4.9
155.03496	12.6
159.03012	4.0
161.04549	100.0
162.04858	3.0
175.06122	6.1
191.05588	2.3
193.05405	3.4
193.07164	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
57.03444	2.9
58.00595	0.9
59.01373	6.4
67.01871	0.4
68.99794	0.6
69.03458	4.2
69.20499	4.1
71.01385	10.4
72.99313	1.2
73.02952	9.4
75.00870	0.5
78.51718	0.4
79.01894	1.1
81.03456	0.9
83.01391	4.6
84.02171	0.4
85.02949	12.8
86.00107	1.5
87.00871	9.9
87.01375	0.7
87.89569	0.3
89.02454	0.9
89.03979	1.9
90.48549	0.4
93.03466	0.5
94.36046	0.3
95.01378	2.5
97.02949	5.1
99.00877	9.3
101.02449	13.0
106.04242	1.4
107.01422	0.5
109.02981	0.5
110.82512	0.3
111.00870	1.0
112.01671	0.5
113.02441	2.1
115.04006	0.4
117.01952	0.7
117.03466	3.9
121.02952	1.1
123.00889	1.5
123.08168	0.6
124.01691	0.5
125.02457	4.3
133.02950	1.2
134.03743	100.0
135.04077	2.8
135.08165	0.6
137.02428	3.8
137.09738	1.6
139.04021	1.5
140.01166	1.5
141.01956	3.9
142.02800	0.9
149.06067	5.3
150.03236	0.7
155.03531	2.4
159.02957	0.6
161.04556	18.8
167.47258	0.4
175.06116	0.8
175.11205	1.0
178.02716	13.8
179.03064	0.6
191.05685	0.4
193.01471	0.7
193.05072	9.4
193.07164	9.6
193.08836	0.7
193.12323	2.0
194.07458	0.3
196.66614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
57.03446	1.2
59.01377	4.2
65.03973	0.3
67.01897	1.3
68.11303	0.2
69.03446	1.1
70.79024	0.3
70.79366	0.6
71.01374	2.3
72.01691	0.2
72.99302	0.7
73.02950	2.3
81.03449	1.0
83.01389	0.4
83.05008	1.0
85.02948	30.8
86.03293	0.7
87.00871	7.9
93.03457	8.6
95.01403	0.4
95.10220	0.2
97.82544	0.3
99.00854	0.5
99.04522	0.8
101.02450	0.3
109.02951	2.0
111.00881	8.7
111.04517	2.6
113.02416	0.6
117.01941	0.9
119.67624	0.3
120.52046	0.2
127.04012	5.8
129.01945	0.7
154.99872	0.4
155.03470	0.6
161.20496	0.2
171.03015	1.4
173.00899	0.6
173.04512	2.1
191.05598	100.0
192.05934	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	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28612	1.0
56.44824	1.0
57.03448	5.9
58.50872	1.1
59.01375	12.1
67.01881	3.6
69.03472	1.8
71.01392	5.1
71.46817	1.3
71.47151	1.3
72.99303	8.4
73.02940	12.3
83.01394	2.1
83.05029	1.2
85.02947	52.0
87.00875	25.5
92.51675	1.1
93.03465	7.7
98.95006	1.1
99.00861	2.0
99.04534	2.5
101.02451	3.4
103.04014	1.7
109.02943	1.9
111.00881	77.0
111.04506	3.3
112.01215	2.6
117.01907	7.7
127.04022	4.4
129.01102	1.1
129.01945	7.6
129.05608	1.4
131.03477	2.1
154.99879	5.7
173.00912	9.9
173.04564	3.7
191.02074	6.4
191.05608	100.0
192.05962	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.035
Annotation	Pisonin F
Peak:m/z	Relative Intensity
53.55190	0.3
54.99475	0.3
55.08524	0.3
57.03446	0.4
59.01371	1.0
67.01908	0.3
69.49102	1.9
71.01372	0.8
72.99310	0.4
73.02943	0.5
77.03935	0.3
85.02947	5.1
86.44051	0.3
87.00882	2.8
93.03485	1.4
105.03488	0.3
111.00886	5.9
111.04515	0.5
117.01930	0.4
119.05016	1.0
121.02955	100.0
122.03289	2.6
125.03989	0.3
127.04023	0.8
129.01935	0.5
129.54616	0.3
147.04524	5.8
154.99887	0.3
163.03998	0.9
169.15414	0.3
173.00839	0.4
173.04541	0.3
176.01152	0.5
191.01933	0.3
191.03519	8.6
191.05617	14.5
191.10733	0.4
192.03802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
55.01868	0.3
57.03439	2.7
59.01370	4.7
67.01897	1.9
69.03460	0.6
70.91277	0.6
70.91597	0.4
71.01387	2.7
71.61678	0.4
72.99308	3.2
73.02945	4.3
81.03457	1.4
83.01388	0.8
83.05022	1.6
85.02946	38.8
86.03285	0.5
87.00871	14.0
93.03454	9.1
99.00893	0.7
99.04527	1.1
101.02424	1.4
106.37794	0.4
109.02948	2.1
109.13438	0.3
111.00874	29.5
111.04519	2.7
112.01225	0.4
112.98827	0.6
117.01936	2.4
122.09310	0.3
127.04005	5.6
129.01941	2.5
132.94655	0.3
135.90195	0.3
137.02466	0.5
147.02921	0.4
154.99850	2.0
165.18646	0.3
171.02982	1.5
171.25076	0.3
173.00922	2.5
173.04489	1.6
191.02104	3.0
191.05594	100.0
192.05940	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	189.0042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66576	0.9
50.79348	0.7
55.01886	5.8
57.03445	7.2
57.69336	0.9
69.63976	0.8
69.64767	5.6
71.01379	2.5
72.29584	1.0
72.99316	2.9
73.02951	29.7
75.00874	0.8
83.01388	78.8
84.01699	1.7
98.19983	1.8
99.00887	15.2
109.79681	0.9
127.00378	100.0
128.00728	3.5
134.36507	1.0
138.13582	0.8
189.00397	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	189.0041
Annotation	2-Oxalosuccinic Acid
Peak:m/z	Relative Intensity
55.01875	5.9
57.03446	9.7
58.43769	0.7
59.01362	0.9
69.90919	4.0
71.01379	1.8
71.51656	0.8
72.99307	3.1
73.02949	32.6
75.00858	1.0
83.01387	79.1
84.01736	1.2
93.54784	0.9
94.12714	0.7
99.00893	14.1
101.02459	0.8
127.00373	100.0
128.00694	1.9
189.00401	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	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.4
58.88301	1.3
59.01380	15.3
67.01876	5.4
70.52506	3.8
71.01380	4.9
72.99319	12.1
73.02950	17.9
74.98179	1.2
81.03468	1.3
83.01392	3.5
83.05033	2.0
85.02955	59.4
87.00879	35.9
93.03456	9.1
99.00883	2.1
101.02441	3.0
109.02953	2.3
111.00883	100.0
111.04524	3.1
112.01227	1.7
117.01940	13.0
127.04031	5.0
129.01080	1.3
129.01953	8.2
129.05586	1.7
131.03516	1.6
146.99290	1.4
154.99867	8.9
171.02972	1.5
173.00914	12.5
173.04594	2.8
191.01990	10.3
191.05612	92.6
192.05887	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	187.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13446	0.4
57.03444	1.0
59.01382	8.1
61.98833	14.5
67.01895	0.6
67.03857	0.5
68.99824	1.0
71.01389	1.5
71.54180	0.7
72.04712	0.5
72.99300	0.9
73.02937	0.6
79.05511	0.9
79.99046	0.5
90.97147	1.5
93.07097	1.2
95.05033	1.9
96.99298	2.5
97.06577	2.0
98.89878	0.7
99.00893	0.9
99.04519	0.9
105.80719	0.6
107.05015	1.2
110.61004	0.5
115.00397	0.7
115.05538	100.0
116.05865	4.8
117.03454	2.1
120.05835	2.8
122.89415	1.4
123.08176	0.7
124.98806	1.9
125.02456	1.5
125.06088	1.6
125.09723	14.8
126.09014	0.5
126.10092	0.7
127.04025	1.6
141.12926	0.5
141.86818	41.9
143.05042	7.3
143.10822	0.7
144.04494	0.7
152.04767	2.0
157.06606	3.8
158.03777	0.9
158.07320	0.6
159.04526	1.1
159.08144	0.7
159.87866	10.4
160.04039	0.6
168.88905	2.2
168.97798	0.9
169.10202	1.9
170.07401	0.8
171.08107	1.6
172.08940	4.4
185.09744	4.2
186.89957	0.9
186.95592	0.6
187.03992	26.7
187.05838	1.2
187.07709	1.2
187.09715	6.5
187.11259	36.7
187.13120	1.4
187.86040	2.5
188.03407	6.4
188.11610	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0248
Annotation	(Z)-But-1-ene-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
54.98405	0.5
58.01822	0.5
58.02974	0.9
58.72112	0.6
67.01881	2.4
70.02916	3.0
71.01354	0.6
71.05012	2.1
72.99300	0.7
73.02941	0.6
81.03457	6.8
83.01378	0.6
85.02962	0.7
87.00903	0.7
97.02951	1.1
97.06582	2.0
98.02480	2.1
98.20583	0.9
99.00869	1.4
99.04519	45.7
100.04826	0.9
102.05609	3.0
104.06893	0.6
111.00848	3.0
115.04017	10.0
115.05530	7.8
116.03538	3.2
116.07209	1.1
125.02448	100.0
125.06075	2.5
126.02792	1.7
143.03500	10.6
143.07085	3.7
143.13376	0.6
144.03006	2.0
169.05057	1.0
180.09570	0.6
187.02486	9.8
187.03987	2.3
187.05930	2.8
187.07910	0.7
187.09734	1.5
188.09236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0248
Annotation	(Z)-But-1-ene-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
67.01882	1.3
71.05029	2.0
71.44708	0.9
71.45043	0.9
76.23886	0.8
76.63779	0.7
81.03464	6.5
97.02973	1.0
98.02473	1.5
98.26920	0.8
99.00882	1.0
99.04522	45.2
102.05614	1.8
115.04010	8.4
116.03528	2.0
125.02448	100.0
126.02779	2.7
143.03496	8.7
144.03017	2.1
166.53670	0.8
167.61580	0.9
187.02499	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	187.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03439	1.1
59.01381	1.8
61.98828	8.2
69.89771	2.7
71.01379	2.4
72.84573	0.5
79.05516	2.8
79.58102	0.5
80.02711	0.6
81.03441	1.4
83.90955	0.5
85.02953	0.6
88.62611	0.5
90.97168	1.0
92.71264	0.5
93.03475	1.1
93.07098	4.5
95.05018	3.2
96.99304	1.6
97.06593	1.8
99.00877	0.7
99.04510	0.6
107.05035	3.9
115.05537	85.7
116.05860	3.4
117.03464	2.3
119.05023	1.0
120.05805	6.9
122.89424	0.9
123.08150	0.6
124.98819	0.9
125.02444	1.1
125.06126	0.8
125.09722	9.5
131.05016	1.0
133.06596	1.2
140.87074	0.7
141.86816	29.4
143.05019	6.9
143.07237	0.5
143.08673	0.9
144.04501	1.1
152.04793	5.1
153.83569	0.5
155.19830	0.5
157.05380	1.0
157.06586	12.4
157.10179	0.9
158.07274	0.8
159.08099	1.3
159.11754	1.3
159.87863	7.0
168.88863	2.2
169.10190	4.7
170.07365	4.3
171.08165	5.2
172.08937	11.5
185.09717	9.9
186.89900	0.6
187.02315	1.3
187.03996	24.9
187.09839	5.8
187.11278	100.0
187.86110	1.4
188.03477	0.8
188.11627	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	186.0772
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
53.84150	0.6
58.02958	3.3
59.01389	1.2
66.03473	0.8
69.56834	3.3
71.01375	0.9
71.05019	0.6
72.99297	0.7
75.07530	0.7
81.03463	0.9
82.03001	0.6
84.04552	20.5
85.04871	0.9
98.02486	1.0
99.00871	0.7
99.04525	9.5
100.04056	1.7
114.05613	1.6
115.04002	1.6
115.05554	4.6
116.03620	0.9
119.84446	0.7
121.64141	0.8
124.07690	1.0
125.01522	1.3
125.02451	24.8
125.09662	1.0
126.05622	1.8
127.00390	0.8
140.07178	1.9
142.05098	2.7
142.08740	12.0
143.03484	2.3
143.04616	0.8
144.03027	0.8
144.06673	1.8
168.06686	1.6
186.07727	100.0
186.09581	9.4
186.11317	4.8
187.02467	3.2
187.04025	1.3
187.06305	0.8
187.08055	3.3
200.77655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95873	0.4
57.03447	0.7
59.01377	59.0
61.98827	7.7
71.01401	0.7
79.95765	0.7
90.97129	1.1
97.06599	0.9
99.00906	0.5
106.07943	0.5
115.02516	2.5
115.05535	100.0
116.05858	3.7
117.00439	5.2
117.03467	3.0
125.06119	0.8
125.09724	6.3
127.04011	0.9
140.87149	1.4
143.02017	1.5
143.05023	6.5
144.99899	1.2
159.01491	71.7
160.01605	3.9
168.88927	0.9
186.86424	0.7
186.95670	0.5
187.01114	7.2
187.03987	31.0
187.09665	2.8
187.13377	0.8
188.00569	0.6
188.04272	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	185.0931
Annotation	H-PRO-ALA-OH
Peak:m/z	Relative Intensity
50.85129	0.5
53.17734	0.5
58.02974	36.4
66.82389	0.5
67.76883	0.5
69.03455	1.5
70.02969	0.6
71.53884	0.7
75.23107	0.4
78.95903	30.4
84.04545	5.4
95.01413	0.7
96.04556	0.6
96.96001	1.2
96.96959	16.5
99.05677	0.9
105.58626	0.4
107.53676	0.5
108.04520	0.6
110.98530	17.5
125.07240	0.6
126.05610	3.8
139.08757	4.6
141.01935	0.7
141.10341	11.4
142.05093	14.0
142.06169	1.2
142.08716	1.0
143.04639	0.7
143.08253	9.7
152.99586	1.0
153.20554	0.5
175.54617	0.5
184.98637	0.7
185.02278	3.4
185.09308	100.0
186.04047	3.7
186.07686	1.7
186.09653	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	185.1546
Annotation	Undecanoic acid
Peak:m/z	Relative Intensity
51.68569	0.4
58.02970	0.8
59.01378	0.7
61.98822	0.9
69.03432	0.9
70.55686	0.5
70.56025	0.8
71.01365	0.5
84.99302	1.2
97.02945	0.5
97.06583	0.6
99.92565	0.4
108.88598	0.4
110.98547	0.6
111.00890	0.4
112.98809	1.1
113.02454	1.0
132.59187	0.4
137.47101	0.4
141.09177	1.0
185.00969	0.8
185.03456	1.3
185.09282	1.6
185.15463	100.0
186.15820	3.5
195.51076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0772
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
58.02974	3.9
59.01371	1.2
59.03319	1.0
64.31153	0.8
70.07841	3.7
71.01357	1.3
81.03479	1.3
82.65289	0.7
83.05009	0.8
84.04544	23.8
92.23470	0.7
98.02510	1.1
98.06120	1.3
99.00881	1.1
99.04512	8.9
100.04022	2.5
114.05629	2.0
115.04044	1.2
115.05532	12.6
116.03534	1.6
124.07649	0.8
125.02454	18.6
125.09741	1.0
126.05557	0.9
127.00348	1.2
140.07173	2.1
142.05083	3.2
142.08730	12.9
143.03496	1.6
143.05022	0.9
144.03090	1.0
144.06624	1.8
168.06644	2.3
186.07719	100.0
186.09567	7.4
186.11342	7.4
187.02481	3.0
187.03986	3.1
187.06349	0.9
187.08055	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0299
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
52.28594	0.2
57.03449	0.3
59.01380	0.2
65.00323	0.9
67.01896	1.1
67.26434	0.2
68.99814	0.7
71.01373	1.2
71.53876	0.3
72.99310	0.8
78.01102	0.3
82.00594	0.7
83.01414	1.3
83.01826	0.2
86.00119	0.4
87.00881	0.5
95.01413	0.3
96.99312	0.3
102.91879	0.2
106.00600	0.3
109.99456	0.2
110.00098	1.4
111.00884	9.6
112.01216	0.3
113.88352	0.2
123.00888	1.4
124.01666	8.3
127.00384	2.8
134.59962	0.2
136.98816	6.2
139.00371	8.3
139.04022	0.7
139.11343	0.3
140.01160	14.6
151.00360	0.8
154.99808	1.1
168.00644	17.2
169.00977	0.5
178.09496	0.2
183.02983	100.0
184.03323	2.8
197.11227	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
70.30963	3.1
81.04713	1.1
81.65805	1.2
99.33134	1.1
109.35187	1.1
111.00890	3.8
114.59261	1.1
124.01678	4.8
136.98805	2.2
139.00391	3.6
140.01160	5.1
168.00641	4.5
183.02982	33.2
183.04568	2.4
183.13896	100.0
184.03389	1.7
184.14265	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	185.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21688	0.5
58.02977	38.2
64.63719	0.4
69.03450	0.5
70.02969	0.6
70.81165	1.2
70.81501	0.6
78.95907	13.4
84.04544	4.4
96.96957	11.0
97.06601	0.8
110.98521	2.2
113.02450	0.8
118.62585	0.5
123.00882	0.9
124.01096	0.5
126.05592	4.4
139.08766	4.5
141.01901	0.8
141.09239	1.0
141.10339	12.2
142.05052	1.6
142.08749	0.7
143.08264	8.7
184.98729	0.7
185.09319	100.0
186.07784	1.3
186.09612	2.6
196.73602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0298
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
55.97976	0.3
65.00326	0.9
67.01885	1.2
68.52026	0.4
68.99808	0.7
69.16946	0.4
69.43185	2.3
69.43605	1.2
69.49472	0.4
71.01379	1.3
72.99295	0.5
78.01121	0.4
82.00602	1.1
83.01389	1.2
86.00108	0.4
92.25649	0.4
95.01385	0.5
96.99293	0.6
101.19802	0.4
110.00096	1.5
111.00874	8.3
112.01190	0.4
123.00875	1.2
124.01660	10.3
127.00379	3.4
128.08163	0.4
136.98816	5.3
139.00381	6.8
140.01164	14.7
141.01480	0.5
151.00307	0.7
154.99838	1.1
167.99197	0.8
168.00635	14.1
177.53468	0.4
180.46405	0.4
183.02977	100.0
184.03308	2.9
192.74352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
67.01906	0.5
68.99805	0.7
71.01385	1.1
72.99298	0.6
82.00609	1.4
83.01376	1.4
86.00129	0.7
87.00857	0.6
95.01411	0.4
110.00079	1.8
111.00881	7.9
123.00877	1.3
124.01658	11.7
127.00367	3.5
136.98827	4.7
138.99321	0.5
139.00380	8.0
140.01164	13.2
141.01485	0.6
154.99873	1.4
168.00644	12.6
168.02008	0.9
183.02979	100.0
184.03290	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	182.0458
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
57.03440	0.4
57.40001	0.3
59.01368	0.9
66.03488	0.7
67.01898	0.6
69.03477	0.8
70.68324	0.9
71.01373	0.6
76.56928	0.4
78.67519	0.4
79.95749	1.0
80.96500	0.4
81.03473	0.4
83.01410	0.6
83.05048	0.4
92.05059	4.3
93.03448	0.8
94.02970	4.2
95.01414	0.7
95.05032	1.9
96.04549	1.0
96.43246	0.3
96.96009	6.2
97.02952	1.2
102.02804	0.4
108.04555	52.3
109.02956	2.0
109.04881	1.3
110.02476	2.7
110.06133	1.6
111.00885	4.1
111.04530	0.5
112.04038	0.5
120.04560	5.7
122.02477	1.3
122.03746	0.6
123.00881	0.8
123.03256	2.1
124.01655	1.1
124.98763	0.4
125.02451	1.1
127.00420	0.3
136.04028	1.0
136.07600	0.5
136.98845	0.5
137.02444	1.3
138.02101	1.6
138.05605	100.0
139.00356	2.0
139.04024	6.8
139.05978	2.8
140.01170	0.8
152.00781	0.5
152.03514	1.2
152.98349	0.4
153.01935	0.3
154.05074	0.7
165.01981	0.8
167.03035	0.7
168.00658	2.0
182.04564	20.4
182.08029	0.7
182.62665	0.3
182.99382	0.4
183.03027	12.9
183.04774	0.6
183.13956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10611	0.2
54.27446	0.2
59.01376	0.4
61.98819	1.0
67.16661	0.2
69.20855	0.2
69.21455	1.8
87.00891	0.8
89.28899	0.2
105.71706	0.3
110.53728	0.2
112.65428	0.2
119.93722	1.0
127.83492	0.2
134.87407	0.2
134.96083	51.9
135.96155	3.5
136.94005	100.0
137.94075	5.5
151.92711	18.8
152.92824	1.3
154.95131	0.3
161.04549	0.6
178.95052	63.4
179.05627	0.5
179.95168	3.4
196.95930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0506
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
55.01860	0.6
59.01099	0.4
59.01374	5.9
65.00319	3.0
66.04437	0.3
67.01878	0.5
68.99805	0.4
69.03454	0.7
69.20518	2.6
69.20919	0.7
71.01380	7.8
71.66180	0.3
72.99306	0.5
73.02950	2.2
75.89948	0.3
79.00939	0.3
79.01890	0.4
80.47192	0.3
81.03450	2.8
83.01384	1.3
83.05042	0.3
84.88269	0.3
85.02937	1.7
87.00874	0.6
89.02447	5.8
93.03447	2.0
94.02972	0.8
95.01380	1.7
97.02958	2.3
97.77769	0.3
101.02441	8.8
102.02769	0.4
105.23343	0.3
107.01386	11.7
109.02948	1.0
109.36605	0.3
113.02426	0.9
119.03468	0.9
119.04909	0.4
120.11014	0.3
123.00882	8.7
123.04517	0.4
124.01656	0.3
125.02431	3.8
136.98825	0.9
137.02396	0.8
137.06123	0.8
137.09700	1.4
138.02017	0.5
139.04045	0.4
151.00363	41.0
152.00687	1.3
153.01947	2.0
163.03943	0.4
163.06096	1.3
166.02705	100.0
167.03024	2.8
174.38748	0.3
181.01495	1.4
181.05048	14.1
181.07158	6.5
181.08649	0.8
181.12398	0.4
182.05418	0.3
200.82300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.092
Annotation	3,5-Dimethoxyallylbenzene
Peak:m/z	Relative Intensity
53.27803	0.5
55.84706	0.6
57.03458	1.0
59.01372	1.3
69.03458	12.8
69.33073	4.7
76.32377	0.5
79.05552	0.7
89.03979	0.7
95.01423	1.5
95.05022	3.5
102.32005	0.6
105.03464	1.3
105.07096	1.5
107.05029	1.8
107.08650	0.6
109.06594	1.9
111.04519	1.0
117.07056	0.6
119.05056	1.6
121.02968	1.3
121.06596	17.1
133.02953	3.4
133.06592	11.3
135.04527	0.6
135.08163	13.5
140.61662	0.6
143.05000	1.0
149.02461	0.7
149.09717	1.7
159.08134	5.0
161.06075	22.1
162.03252	1.8
162.06487	0.8
177.01935	8.7
177.09207	100.0
178.09550	4.6
184.00029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0612
Annotation	(R)-2-(n-Propyl)-malate
Peak:m/z	Relative Intensity
50.80497	1.2
55.01877	3.3
57.03450	6.5
58.00581	1.9
59.01377	100.0
65.29929	1.2
67.01917	1.4
68.99825	2.3
69.03461	11.3
70.66086	3.1
71.01375	20.4
71.05012	12.4
72.99297	11.4
73.02945	22.4
75.00861	1.8
83.01373	6.3
83.05042	2.0
84.02170	2.1
85.02943	19.8
85.06593	17.3
86.03373	1.3
87.00878	55.2
87.04504	7.8
93.03443	1.8
95.01412	3.1
95.05019	4.0
96.95992	1.2
96.99284	1.4
97.02950	4.8
99.00905	6.5
100.01656	2.2
100.98804	3.7
101.02438	29.6
111.04555	2.8
112.98852	1.6
113.02480	5.8
113.06088	47.9
114.06398	1.5
115.00373	18.9
115.04008	65.4
116.04382	1.4
117.01933	5.1
119.04941	1.7
124.01652	1.8
124.98829	3.0
127.97491	1.6
129.01949	1.8
129.05553	3.2
131.03520	6.6
131.05061	3.0
131.06282	1.8
131.07129	9.9
132.98177	1.7
133.05121	3.4
134.03636	1.3
142.99837	1.5
147.04510	3.1
148.03987	1.5
157.01378	5.7
157.05045	12.7
163.85178	1.2
174.88954	12.6
175.02475	4.1
175.03761	8.3
175.06148	36.7
175.07660	2.9
175.11214	2.4
176.03532	3.6
176.07159	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	177.0193
Annotation	Daphnetin
Peak:m/z	Relative Intensity
52.22479	0.2
57.03453	0.2
58.25270	0.2
59.01378	0.7
63.02347	0.2
68.99796	0.2
69.03455	0.6
71.01378	0.5
71.55619	0.2
72.93423	0.2
75.00883	0.2
77.03961	0.9
81.03451	2.2
85.02955	0.4
87.00869	0.2
89.03966	9.9
90.04304	0.4
93.03452	2.1
95.01401	0.2
95.05018	1.5
97.02934	0.2
99.00907	0.4
105.03459	15.1
106.03761	0.2
107.01408	0.8
109.02949	0.5
121.02970	1.7
121.06599	0.9
123.04514	0.4
129.01959	0.3
131.01404	0.2
133.02957	30.3
133.06552	1.1
134.03174	0.9
134.06110	0.3
135.08153	0.7
135.58047	0.2
139.04005	0.7
148.01639	0.2
149.02437	4.6
161.02467	0.2
161.06027	1.3
162.03229	5.4
163.03600	0.3
164.33577	0.2
177.01923	100.0
177.09181	4.8
178.02264	3.6
198.62819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0921
Annotation	4-(1,1-Dimethyl-2-propenyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
58.30533	0.6
59.01394	3.2
61.98815	1.8
64.78737	0.6
68.99825	0.9
70.72897	1.8
71.01385	3.9
72.99289	0.6
75.00869	1.8
80.78539	0.5
84.75055	0.7
85.02927	1.5
87.00887	2.4
89.02453	1.5
89.03971	1.8
93.03459	1.6
95.05016	0.9
98.61494	0.6
99.00899	1.5
105.03465	3.0
107.05009	0.6
108.02187	3.0
121.03004	3.1
123.04482	1.0
125.95480	0.6
129.01939	1.7
133.02962	8.5
133.06590	2.1
134.03676	3.0
134.06099	0.7
135.04535	0.7
141.86810	1.2
145.03030	0.8
148.05310	4.0
149.02467	3.2
149.06044	1.5
149.09758	1.7
151.10428	0.6
161.02414	0.8
162.03229	15.8
163.03648	0.6
176.08452	0.9
176.84280	1.3
177.01924	25.9
177.05644	6.0
177.09206	100.0
178.02464	1.3
178.05051	1.1
178.09650	5.0
189.96452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	2-Hydroxy-3-oxoadipate
Peak:m/z	Relative Intensity
53.00279	1.4
55.01880	3.1
57.03450	11.6
57.32899	1.6
58.00576	2.8
59.01379	100.0
63.25278	1.6
68.99815	4.6
69.03461	17.7
71.01382	42.0
71.05014	11.5
71.51627	2.8
72.99306	31.1
73.02955	22.9
75.00880	7.6
79.95731	2.0
81.03470	2.0
83.01376	10.7
84.02168	3.9
85.02953	33.0
85.06596	7.8
87.00880	36.6
87.04514	10.5
89.03568	3.3
92.05033	1.9
93.03463	3.1
95.01373	3.6
95.05039	4.2
96.99319	4.3
97.02950	5.6
99.00872	10.8
100.01691	3.5
100.98785	13.6
101.02456	15.3
111.00936	2.3
111.04559	1.9
113.02464	14.9
113.06086	15.8
115.00381	26.2
115.04013	79.1
116.04322	1.5
124.01642	2.8
124.98821	7.6
127.97524	17.4
129.01974	2.2
129.05630	3.3
131.03520	6.5
131.07153	4.9
132.98224	4.0
133.05070	86.7
140.01184	1.7
142.02730	1.9
142.99881	4.3
147.04553	2.1
157.01436	14.1
157.05035	3.1
157.07700	3.8
161.65775	1.5
174.82875	2.9
174.88983	4.1
175.02466	6.6
175.04005	7.0
175.06177	24.2
175.07608	1.9
175.11241	1.9
176.03526	4.0
176.07156	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	175.0611
Annotation	(R)-2-(n-Propyl)-malate
Peak:m/z	Relative Intensity
55.01894	1.1
57.03442	0.9
58.00589	0.8
59.01379	100.0
60.01680	0.7
67.01902	0.5
69.03452	9.8
71.01364	7.5
71.05022	8.0
72.99310	8.8
73.02955	7.1
83.01404	2.3
84.48999	0.5
84.64653	0.6
85.02952	11.5
85.06597	1.2
87.00868	4.1
87.04510	7.5
89.03573	1.2
95.01407	2.1
95.04988	0.6
96.99351	1.0
97.02925	1.4
99.00883	4.0
101.02451	1.8
111.00884	0.6
111.04483	0.6
113.02441	9.1
113.03145	0.8
113.06116	1.2
115.00390	2.2
115.04010	6.4
124.98804	1.0
127.00382	0.9
131.03535	2.6
131.07149	1.2
133.05092	2.6
157.01421	14.6
160.58643	0.7
175.02531	2.5
175.06104	2.9
183.29820	0.6
185.10448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0819
Annotation	Suberic acid
Peak:m/z	Relative Intensity
57.03451	5.6
59.01112	0.3
59.01378	4.4
60.99291	0.8
63.49986	0.3
64.08688	0.3
67.01889	6.0
68.02206	0.3
69.03464	1.6
69.57478	1.3
71.01375	1.8
72.99308	0.6
73.02950	0.4
73.36985	0.3
81.03447	1.3
81.23615	0.3
83.05024	15.1
84.05340	0.4
85.02956	0.6
85.06590	1.0
90.21112	0.4
93.03458	19.9
95.62415	0.3
96.96018	0.4
97.06521	0.4
99.00887	0.6
109.06591	4.0
111.00891	3.0
111.04548	2.2
111.08158	100.0
112.08490	2.9
113.06099	0.7
115.04115	0.3
123.00887	0.3
129.09225	5.5
131.07132	3.6
154.99840	0.3
155.07158	1.2
173.04817	1.8
173.08202	33.9
174.01894	0.3
174.05577	0.4
174.08559	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
53.00295	1.8
55.01877	3.5
57.03441	2.2
58.02979	0.6
59.01381	3.7
67.01889	8.6
67.05512	0.5
68.99809	1.7
69.03429	0.5
70.34872	1.7
71.01379	44.4
72.50673	0.5
72.99310	6.1
73.02943	3.1
80.99815	1.0
83.01385	10.3
83.05033	0.9
85.02948	20.5
85.06583	3.8
86.03288	0.7
87.00869	3.8
93.03452	5.6
93.89780	0.6
94.03786	0.5
96.96015	0.6
96.99308	2.3
99.00874	16.1
99.04561	0.6
101.02442	2.0
102.05604	1.1
111.00879	100.0
111.04513	3.4
112.01228	2.5
112.98809	17.5
115.00341	1.4
124.98801	15.8
124.99717	1.0
127.07647	0.8
128.07228	0.8
129.01964	2.8
129.05597	2.2
129.07483	0.6
131.08240	0.7
140.98256	1.0
142.99863	33.3
144.00343	0.6
154.99875	13.7
155.03535	1.4
173.00929	8.1
173.04520	2.8
173.05966	0.6
173.08182	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32272	0.3
57.03452	2.2
59.01375	2.5
60.99307	4.0
61.98833	3.0
65.03956	0.5
67.01889	26.9
68.02225	0.6
68.99799	0.3
69.03455	5.1
71.01380	6.1
71.06618	0.5
72.99306	0.9
73.02955	1.1
77.02788	0.3
81.03465	1.7
83.01382	0.4
83.05026	1.8
85.02950	0.9
88.98802	0.4
91.01357	0.2
93.03458	100.0
94.03799	2.7
95.01387	0.7
96.95966	0.3
97.02954	0.5
99.00890	1.9
99.04520	0.7
99.92581	0.5
100.92595	1.1
101.02456	0.5
101.98093	0.4
109.02946	1.2
111.00887	2.0
111.04520	8.7
111.08159	0.9
112.04838	0.3
115.03989	0.6
117.03497	0.3
123.00920	0.4
129.01927	0.4
130.44606	0.3
131.08252	0.4
137.02454	0.6
142.51402	0.3
145.02908	0.4
153.01941	0.3
154.94748	0.5
154.99907	0.4
155.03496	0.9
172.83060	3.3
172.84294	2.2
172.88043	2.8
173.02373	0.6
173.04556	7.9
173.05988	0.6
173.08232	0.7
173.88474	0.4
174.05470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
58.02967	1.2
59.01374	0.6
67.01881	4.7
69.03460	0.5
69.51225	2.4
69.51642	0.9
71.01374	1.6
72.99284	1.0
82.06630	0.6
83.01370	1.0
85.02962	2.9
87.81605	0.4
93.03455	12.2
93.04012	0.8
94.18171	0.4
97.13245	0.5
99.00871	0.7
111.00884	14.8
111.04518	1.3
125.02432	0.5
125.47412	0.5
128.10822	3.1
129.01917	0.4
130.08737	100.0
131.09082	2.2
154.99870	1.8
160.79393	0.5
172.09781	11.8
173.04599	2.9
173.10049	0.5
190.57942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
53.00308	3.0
54.20801	1.5
55.01886	9.1
57.03443	6.2
58.02964	1.9
58.73427	1.4
59.01382	13.2
60.99305	2.6
67.01891	18.3
68.99820	3.4
69.03464	4.5
70.11244	6.6
71.01381	100.0
72.99309	10.8
73.02952	10.4
75.00854	1.7
75.22472	1.7
77.22532	1.5
80.99814	2.2
81.03471	1.9
83.01402	10.9
83.05032	3.8
85.02951	71.2
85.06603	7.5
87.00871	8.3
90.62862	1.4
93.03456	61.3
96.99317	6.0
97.02987	1.8
99.00885	36.9
99.04529	2.9
101.02460	2.3
109.02870	1.6
111.00882	51.2
111.04505	12.1
112.03988	2.5
112.98804	31.2
113.02451	1.7
113.04379	3.8
115.00378	6.4
124.98801	30.2
128.07210	2.1
129.01944	12.3
129.05614	4.5
131.08231	8.2
140.98322	4.2
142.99863	81.0
144.00154	2.1
154.99837	5.1
155.03522	7.5
172.83067	5.8
173.00949	12.4
173.02281	2.4
173.04568	17.7
173.06033	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	169.0142
Annotation	Gallate
Peak:m/z	Relative Intensity
58.60379	0.3
67.01889	0.7
69.03448	4.9
69.82071	1.0
69.82477	0.5
71.01380	15.8
79.01895	2.6
79.95741	0.4
80.96513	5.1
81.03460	2.4
83.01395	0.5
85.06596	0.5
95.01395	1.2
96.96017	1.2
96.96970	0.3
97.02950	4.2
98.19897	0.3
99.08187	0.3
107.01394	1.3
123.00844	0.4
124.01674	1.8
125.02445	100.0
126.02802	3.2
143.49184	0.3
150.97070	8.8
151.00319	0.7
168.98154	8.8
169.01413	28.9
169.12178	0.3
170.01753	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52559	0.3
61.56673	0.2
67.01882	0.6
69.03453	3.8
69.97253	1.1
79.01893	2.1
81.03455	1.6
83.01390	0.5
95.01382	0.9
97.02938	3.4
107.01388	0.8
110.18044	0.3
123.00907	0.4
124.01675	1.0
125.02448	100.0
126.02767	3.0
169.01425	31.8
170.01772	1.2
182.35844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.014
Annotation	Gallate
Peak:m/z	Relative Intensity
66.72977	0.4
67.01887	0.8
69.03455	5.6
69.16736	0.9
69.17139	3.5
79.01874	2.5
81.03429	1.9
82.38948	0.4
83.01382	0.4
85.02978	0.3
95.01385	0.9
97.02954	4.0
102.42386	0.4
107.01397	1.2
124.01658	1.6
125.02445	100.0
126.02784	2.8
141.54979	0.3
145.59442	0.4
153.99123	0.4
169.01419	24.8
170.01784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0139
Annotation	Gallate
Peak:m/z	Relative Intensity
53.00314	0.3
56.92442	0.4
67.01902	1.0
69.03458	5.2
69.30103	3.2
69.30443	0.7
71.65382	0.4
79.01891	2.1
81.03455	2.3
81.49437	0.3
83.01393	0.6
95.01414	1.6
96.95377	0.5
96.96011	10.2
97.02946	4.7
107.01411	2.0
123.00913	0.5
123.04505	0.9
124.01702	1.9
125.02446	100.0
125.09722	0.7
126.02783	3.0
151.00346	0.8
151.03969	0.5
158.68872	0.4
169.01463	31.8
170.01743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12374	0.7
58.02974	81.2
59.03304	0.7
61.98828	3.5
65.00336	1.7
66.03477	4.4
67.01878	1.1
68.99809	2.3
69.03459	5.7
70.98402	1.8
75.23783	0.7
79.01878	2.0
80.99814	0.9
81.03459	1.7
82.95412	2.9
83.01387	2.1
87.18719	0.8
95.01411	1.3
95.05056	0.8
97.02946	6.3
99.00887	1.2
107.01385	1.8
107.05090	0.8
108.02206	1.0
108.04546	1.1
109.02473	1.0
122.06104	0.7
122.89414	7.8
123.00893	1.4
123.04523	6.1
124.01640	2.3
124.04909	0.8
125.02446	100.0
151.00362	3.4
151.04002	1.4
153.01564	1.4
153.99065	1.7
168.03952	1.2
168.06628	1.9
168.13945	6.8
168.83640	6.1
168.99095	6.0
169.01419	32.7
169.05118	1.2
169.12314	1.5
184.27550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.035
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
52.88406	0.6
57.03438	1.5
59.01383	2.4
65.00328	1.8
81.03458	21.6
83.01389	8.4
83.12654	0.5
85.73730	0.5
92.39522	0.5
95.05034	3.0
107.01378	2.0
123.04527	100.0
124.04874	2.7
125.02455	7.8
139.04019	1.0
151.00391	4.2
152.01138	1.6
167.03493	70.4
168.03835	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	167.1077
Annotation	1,4-Ochtodiene-3,6-diol
Peak:m/z	Relative Intensity
52.28251	0.3
55.25544	0.3
57.03449	1.5
62.38279	0.2
69.03465	1.0
71.43560	0.5
81.03442	0.7
83.05027	5.7
93.03474	2.0
95.01401	1.1
96.02161	1.5
97.06606	0.3
107.05015	0.4
108.02205	0.8
109.02945	0.7
109.06585	0.9
111.00904	0.8
111.04519	100.0
112.04825	1.9
112.05376	1.4
121.06599	0.5
122.03731	0.3
123.04526	0.8
123.08157	6.9
124.05292	0.8
125.06082	8.8
125.09712	0.9
126.06433	0.4
134.07384	2.5
138.06926	0.3
139.03999	0.3
149.09717	22.6
150.10008	1.0
152.01154	1.2
152.08432	2.4
167.03525	0.9
167.10777	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	168.0304
Annotation	2-Methoxy-4-nitrophenol
Peak:m/z	Relative Intensity
55.93412	0.3
58.47050	0.2
61.98844	0.3
65.00327	0.6
65.03958	0.4
65.99841	1.4
66.03490	0.9
67.01888	0.5
68.99825	0.6
69.03449	2.0
71.01372	0.4
71.54779	0.4
79.01900	0.7
81.03472	0.9
83.01405	0.7
85.02943	0.3
95.01385	0.5
96.04612	0.4
96.99283	0.5
97.02947	2.1
98.02486	0.3
107.01401	1.0
108.02203	0.3
108.04556	0.4
109.02959	1.1
119.45692	0.3
121.02975	0.8
122.89431	0.6
123.00951	0.3
123.04539	0.8
124.01649	1.1
124.04052	0.4
124.04858	0.3
124.07703	0.3
125.02449	35.5
126.54393	0.2
137.02448	11.0
138.03236	24.2
139.03607	1.2
140.04323	0.4
151.00354	1.0
153.00525	0.4
153.01588	0.8
153.99065	0.6
161.25371	0.3
168.03012	100.0
169.01419	10.1
169.03340	3.2
169.04810	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.051
Annotation	Orthoform
Peak:m/z	Relative Intensity
58.01965	0.3
61.98816	1.1
65.00336	0.5
66.03484	0.9
67.01886	0.6
71.08864	0.8
80.05054	0.6
81.03468	0.9
83.01388	0.7
91.01897	0.6
92.05062	0.8
93.03468	1.0
93.99333	0.7
94.02954	0.7
94.64793	0.3
95.01396	2.7
95.05030	0.7
96.04597	0.5
96.96017	0.5
97.02945	0.5
105.02180	0.5
107.01424	0.4
108.02185	5.6
108.58212	0.4
109.02919	0.9
110.02503	0.5
111.00868	0.8
118.02958	0.4
120.89871	0.6
121.02958	2.8
121.05332	2.9
122.02461	1.7
122.03302	4.3
122.06125	1.1
122.06935	0.5
123.00875	1.9
123.04531	6.4
123.08140	0.4
124.01642	1.3
124.04032	0.5
125.02435	1.2
135.04514	1.4
136.04181	1.1
136.05298	23.4
137.02425	0.6
137.05670	0.5
138.03159	1.1
138.04205	0.3
138.05505	0.7
139.00392	0.6
139.04027	4.4
148.04018	0.5
149.02336	0.4
151.00369	1.4
152.01147	10.8
166.05087	100.0
166.99812	0.6
167.03497	12.9
167.05432	4.0
167.07097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.051
Annotation	Orthoform
Peak:m/z	Relative Intensity
50.24738	0.2
59.01394	0.2
61.98832	0.6
65.99848	0.4
66.03487	0.4
71.10767	0.4
74.08066	0.2
81.03452	0.7
83.01344	0.3
83.05049	0.2
85.56971	0.2
91.01879	0.3
93.03440	1.4
93.99346	0.4
94.02990	0.4
95.01416	1.1
97.02939	0.4
108.02170	3.3
108.04552	0.7
109.02955	0.5
116.36612	0.3
120.89840	0.3
121.02959	12.9
122.02483	0.7
122.03283	3.5
122.06107	0.7
123.00893	1.2
123.04529	4.5
124.01649	0.5
124.04035	0.4
125.02436	0.8
136.05310	10.8
137.05618	0.6
138.03181	0.7
138.05626	0.5
139.00336	0.3
139.03973	1.8
151.00328	1.0
151.02744	22.2
152.01160	6.1
152.03087	0.7
153.00102	0.2
160.18417	0.2
164.98302	0.3
165.83569	0.3
166.05090	100.0
166.83304	0.6
167.03497	5.2
167.05424	3.6
167.06877	0.3
183.01717	14.2
184.02042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05547	0.3
79.95735	5.4
81.03461	0.7
89.60603	0.2
95.01387	0.6
95.95218	1.0
96.96011	100.0
97.95933	0.7
98.39497	0.2
98.95596	1.9
98.96442	0.3
101.38334	0.2
108.02157	0.9
122.02486	0.2
122.03273	0.5
122.06087	0.2
123.00901	0.6
123.04521	2.0
124.01622	0.4
125.02443	0.3
137.41998	0.2
138.03180	0.2
139.04028	0.6
139.87730	0.3
143.95990	0.2
149.04993	0.3
152.01158	2.4
156.64754	0.2
163.19727	0.2
166.03069	2.6
166.04382	0.2
166.05080	0.5
166.53223	0.3
167.03529	2.1
167.07230	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0405
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
53.85268	0.6
55.01875	2.9
56.15499	0.6
59.01384	10.0
63.40530	0.7
68.99807	0.8
70.89161	1.6
70.89522	0.8
71.01387	8.4
72.99311	8.9
73.02953	3.0
73.72375	0.7
75.00874	69.0
85.02969	1.4
87.00878	100.0
88.01243	1.0
89.02450	3.7
93.03484	0.8
94.02964	1.0
98.20039	0.9
99.00887	13.0
101.02460	3.7
103.02264	0.6
105.01939	77.7
106.02327	1.2
106.28671	0.8
117.01931	3.6
121.02936	4.7
122.02506	4.7
129.01950	6.5
135.02988	2.1
137.02420	2.1
147.02991	8.9
164.89977	4.2
165.01884	1.5
165.04042	58.0
166.04355	1.6
170.19792	0.7
174.20862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1284
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
52.99845	3.1
57.03447	17.5
58.57106	3.4
61.98838	4.7
65.00317	5.6
69.03436	5.0
69.97432	5.8
69.97823	9.5
77.03983	7.1
80.02668	5.2
81.03434	16.2
83.05025	32.7
89.60725	3.4
92.99802	4.9
93.03461	10.5
95.05028	17.3
97.06592	49.2
98.20571	3.9
109.02941	3.9
109.06609	7.7
111.08159	50.9
121.02955	100.0
122.03282	3.5
123.08145	4.3
137.02429	11.6
147.04520	3.7
149.00986	6.7
150.03224	6.2
163.11288	16.5
165.01942	20.1
165.05595	7.3
165.12840	83.9
166.05038	5.9
166.13123	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	165.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.1
59.01377	2.9
61.98830	5.5
65.00321	3.5
65.03930	0.7
65.99858	0.5
67.01888	1.1
68.99835	1.3
69.20193	5.9
71.01381	1.8
72.99317	0.9
73.02944	0.8
74.17869	0.6
75.00873	1.8
77.03979	5.2
78.04323	0.6
81.03452	2.2
83.05022	1.6
84.30930	0.6
85.02951	1.4
85.29476	0.6
87.00874	2.8
92.99817	6.2
93.03447	6.9
94.02983	1.6
94.13154	0.6
94.96156	0.6
95.01390	0.8
95.05003	1.5
96.99349	0.6
97.06596	1.6
105.01909	1.8
108.02200	1.0
108.04551	1.0
109.02947	3.6
111.08170	3.8
119.05016	3.0
120.05362	0.7
121.02956	100.0
121.05514	1.5
121.06604	1.7
122.02438	1.8
122.03314	4.5
122.06108	0.9
123.04508	1.0
124.04043	0.9
135.04541	1.1
136.01643	0.7
136.05254	0.7
136.98805	0.7
137.02438	11.5
138.05614	0.6
139.04027	0.9
147.04506	2.0
147.65425	0.6
149.00964	5.3
149.02187	0.8
150.03235	5.9
163.11281	1.2
164.83679	2.7
164.89592	3.0
165.01927	17.6
165.04077	2.4
165.05568	5.7
165.07611	1.6
165.09164	1.0
165.12840	5.5
166.05042	3.4
176.39877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
50.88491	0.6
59.01381	3.0
63.96233	0.7
67.01920	0.6
68.99821	0.7
69.44787	4.9
70.68747	0.7
71.01402	2.3
72.00910	39.2
72.99323	1.8
73.02960	0.8
75.00874	11.7
77.03977	2.9
79.95776	0.7
81.03469	0.8
83.01403	1.0
83.40069	0.6
87.00880	19.3
87.39467	0.6
89.02444	0.8
89.11488	0.6
91.05544	1.5
92.05067	1.5
93.03461	6.7
93.89147	0.7
94.02994	1.7
95.01425	0.8
97.02948	0.8
99.00886	2.5
100.45808	0.7
101.02444	1.0
103.05520	3.1
105.01936	15.9
108.02208	1.3
108.04600	0.9
109.02952	3.3
119.05018	5.2
120.04556	3.1
120.05383	15.8
121.02956	53.8
121.06603	1.2
122.03735	1.2
123.04483	1.0
123.75452	0.6
129.01942	1.2
135.04547	9.7
136.04012	1.2
137.02455	15.0
137.05969	0.7
147.04521	100.0
148.04861	3.3
149.01057	1.2
149.02423	1.4
150.03239	6.1
163.00323	0.6
164.01112	2.2
164.03548	2.7
164.07162	54.6
164.11615	1.9
164.83830	0.6
164.89682	2.6
165.01939	14.5
165.04050	10.0
165.05565	3.7
165.07510	2.8
165.09204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
67.05899	0.6
69.19070	0.4
69.45429	3.5
75.00879	1.0
77.03982	2.4
86.26045	0.5
87.00877	1.7
93.03459	2.3
96.96012	1.2
97.31288	0.5
98.19925	0.9
105.01926	1.0
109.02988	0.6
118.82862	0.5
121.02956	100.0
122.03280	3.4
137.02461	2.9
150.03239	1.5
165.01930	8.9
165.04063	0.8
165.05545	0.6
165.09189	1.1
165.12927	0.8
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
53.25769	1.3
59.01351	1.6
61.98841	1.4
91.01892	2.1
94.81872	1.4
96.21275	1.3
107.05058	2.2
110.51608	1.4
116.92087	2.6
118.99256	2.8
119.05026	95.3
120.05350	4.9
147.08150	1.5
163.00374	2.2
163.04012	7.1
163.11284	100.0
164.07214	1.8
164.11598	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	163.1129
Annotation	4-n-Pentylphenol
Peak:m/z	Relative Intensity
55.01863	1.2
55.59838	0.6
71.01369	0.7
71.18133	1.0
93.03451	1.1
93.07121	0.6
101.02452	1.2
107.05022	1.5
108.05790	0.6
119.05026	50.7
120.05364	1.9
121.06580	2.1
122.03722	1.1
123.08146	1.5
134.07408	1.3
135.04523	1.4
135.08145	1.4
145.10213	2.0
147.08128	4.6
148.08943	10.3
149.02405	0.6
161.09737	1.0
162.89334	1.2
163.00352	1.6
163.04018	7.1
163.11282	100.0
164.07156	1.2
164.11609	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	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
59.01376	0.7
65.36372	0.5
70.70380	1.2
72.00908	41.5
75.00891	0.9
77.03973	0.8
83.21655	0.5
87.00899	1.2
90.20222	0.5
91.05558	1.9
93.03474	1.9
95.95281	0.5
96.96031	1.4
103.05540	3.8
105.01936	0.5
108.04609	0.6
109.02950	0.6
118.06641	0.8
119.05020	3.4
120.04531	1.3
120.05344	7.1
121.02958	14.1
135.04535	1.4
137.02449	3.1
139.18633	0.6
146.06071	0.8
147.04520	100.0
148.04832	4.3
149.00986	0.7
149.02441	0.9
150.03218	1.5
164.01028	0.6
164.07158	46.3
165.01892	4.6
165.04050	1.2
165.05533	0.9
165.07468	1.3
165.08871	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.0
57.03452	11.3
58.00575	2.8
58.02979	24.1
58.68980	1.4
59.01102	2.3
59.01380	30.4
69.03462	19.1
69.83159	5.0
69.83551	2.2
70.02979	2.6
71.01385	23.8
71.05045	2.3
72.99324	1.6
73.02944	17.0
74.02484	4.8
79.01904	2.2
80.05062	17.7
81.03471	2.5
83.01399	10.6
84.04546	15.7
85.02950	31.3
86.02483	5.5
86.06126	1.7
87.00876	9.3
87.04507	2.3
88.04041	74.6
89.02428	1.9
92.23403	1.6
92.24647	1.4
95.01402	1.5
96.04548	7.3
97.02948	6.9
98.06132	8.4
98.19805	1.8
99.00890	6.9
99.04517	15.4
101.02445	28.1
112.04077	1.7
113.40199	1.5
114.05607	6.1
117.05616	1.6
118.05100	9.5
119.97876	1.5
123.03860	1.5
125.02436	5.3
130.05103	14.1
131.03506	4.8
134.13210	1.7
142.05045	3.1
143.03491	6.3
158.04608	2.4
160.06160	100.0
161.02475	2.4
161.04564	19.2
161.06531	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	163.0401
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
67.33168	0.1
71.01395	0.2
81.35027	0.1
83.82050	0.2
85.02998	0.2
91.01902	0.4
91.05530	0.4
93.03453	1.1
94.29549	0.1
98.19913	0.3
101.02430	0.4
117.03519	0.2
119.05025	100.0
120.05354	3.8
135.04504	0.2
162.89433	0.2
163.00394	0.4
163.04015	6.3
163.06091	0.3
164.04402	0.3
164.07162	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0823
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
58.02973	1.5
58.71289	0.3
59.01368	0.5
66.42718	0.3
68.99822	0.6
69.03444	0.3
70.04363	1.1
71.01365	1.6
73.02944	2.3
75.49902	0.3
83.01365	0.8
85.02954	0.7
87.00880	1.1
95.42480	0.3
96.04541	0.8
97.02925	0.5
99.00877	0.8
100.80322	0.3
101.02444	1.0
103.99442	0.3
104.32615	0.3
109.28617	0.4
111.00885	1.0
113.02454	0.5
114.08443	0.4
114.09237	6.0
115.00343	0.4
116.07172	100.0
116.92858	0.3
117.06860	0.3
117.07536	2.6
128.05060	0.5
129.01938	0.8
130.06613	0.9
158.06122	1.0
158.08212	13.1
159.03078	1.8
159.04230	0.5
159.06622	0.5
159.09332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11298	0.7
55.01868	1.5
56.14926	0.8
57.03448	9.7
58.00583	0.9
58.02974	6.7
59.01380	12.2
60.99326	1.2
69.03458	11.9
70.02974	8.5
70.43888	2.5
71.01388	10.4
71.05019	6.7
72.04548	2.4
72.99311	2.7
73.02946	7.0
74.02473	47.5
75.00861	1.3
80.05065	11.6
81.03439	1.1
83.01382	3.9
84.04552	22.6
85.02949	15.2
86.02489	4.7
86.03263	0.8
86.06104	2.4
87.00879	6.3
88.04044	100.0
89.02432	1.6
89.04359	1.1
94.02969	0.9
96.04559	6.3
96.96017	4.7
97.02946	3.1
98.02484	16.0
98.06123	12.7
99.00924	4.4
99.04512	8.4
101.02448	18.6
112.04042	2.9
113.02457	1.7
113.69194	0.8
114.05605	2.2
115.04015	1.6
115.07661	1.8
116.03548	10.0
116.07187	2.7
117.05582	1.7
118.05103	7.1
124.04110	1.1
125.02420	2.5
130.05096	18.8
131.03490	1.2
140.03545	1.2
142.05127	1.7
143.03491	4.7
158.04613	2.9
159.03214	1.0
159.89365	8.7
160.04002	2.9
160.06151	78.2
160.89278	7.4
161.04535	13.7
161.06566	1.5
161.08208	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	160.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
55.46889	0.6
57.03445	12.5
58.02978	12.3
58.61391	0.6
59.01379	13.4
60.99289	0.9
63.42216	0.6
69.03453	11.1
70.02975	2.9
70.75550	1.3
70.75897	1.0
71.01379	8.1
71.05031	5.6
72.04540	1.1
72.99316	1.7
73.02942	7.6
74.02479	9.7
75.00862	0.9
80.05054	10.9
81.03466	0.7
83.01389	5.0
84.04547	22.1
84.05055	1.4
85.02949	12.2
86.02461	3.2
86.06114	1.6
86.72527	0.7
87.00865	4.3
87.04537	1.1
88.04040	100.0
89.04365	1.2
94.92297	0.7
96.04552	6.4
97.02979	3.7
98.02484	3.1
98.06126	9.4
99.00887	3.2
99.04515	14.7
101.02444	18.9
107.82963	0.7
112.04033	2.0
113.02489	1.1
114.05595	3.7
115.04012	4.2
116.03561	1.7
116.07221	1.1
117.05563	5.5
118.05088	8.5
120.98859	0.7
125.02428	2.4
129.37436	0.6
130.05104	19.9
142.05127	1.6
143.03499	11.7
158.04567	3.0
160.04002	2.9
160.06146	72.6
161.04552	11.5
161.06546	1.6
162.88507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03450	6.0
58.02969	1.2
59.01390	1.3
66.03478	2.3
68.05051	1.0
69.03460	7.5
70.03003	0.7
71.01379	4.9
71.52914	0.8
72.00916	2.0
74.02473	0.7
78.03476	1.1
81.02199	0.7
82.02995	0.6
83.01395	2.2
84.04548	14.1
85.02959	4.8
86.02481	2.9
86.06119	100.0
87.00831	0.6
87.04527	0.7
87.06451	2.4
88.33711	0.5
94.02991	1.2
95.55939	0.5
96.04555	78.0
97.02958	8.4
97.04894	2.4
97.88794	0.6
99.00894	2.1
100.01688	1.1
102.58460	0.5
112.04052	81.0
113.02488	1.4
113.04401	1.9
114.01965	0.9
114.05613	23.1
114.09247	2.8
115.04034	1.4
116.07178	37.4
117.07510	0.9
127.59188	0.7
140.03560	1.2
141.01950	1.2
158.04599	36.9
158.08209	5.4
158.89336	2.5
159.03018	2.3
159.04939	1.4
176.54884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0459
Annotation	N-Methyl-2-oxoglutaramate
Peak:m/z	Relative Intensity
55.01881	0.5
55.59136	0.3
57.03448	3.6
57.41326	0.4
58.02979	0.5
59.01367	1.7
66.03477	1.5
68.01409	0.5
68.05054	0.9
69.03452	7.8
70.00117	0.4
70.02977	0.9
70.03813	0.5
71.01385	6.1
71.09546	0.9
72.00898	1.7
72.99310	0.5
73.02922	1.0
74.02479	0.7
78.03481	1.7
78.95898	0.9
79.01872	1.0
81.02190	0.9
82.02984	0.6
83.01388	1.2
84.04559	2.5
85.02955	4.2
86.02487	2.4
86.06117	13.1
87.00861	0.8
87.04508	1.0
87.06435	0.5
94.02993	1.5
94.80888	0.4
95.01383	0.6
96.04551	100.0
97.02950	10.6
97.04892	2.6
99.00880	1.8
100.01646	1.3
101.02453	0.5
109.21325	0.4
111.00889	0.6
112.04049	9.6
113.02443	1.0
113.06146	0.4
114.01953	1.1
114.05605	7.6
115.04014	0.6
116.07169	4.5
117.88554	0.4
128.03496	0.4
140.03523	0.8
141.01936	0.7
158.04590	14.1
158.08170	1.2
158.89319	3.1
158.92549	0.5
159.02986	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	157.1234
Annotation	Nonanoic acid
Peak:m/z	Relative Intensity
55.01888	1.0
56.13914	1.1
57.03435	2.3
59.01379	7.0
61.98824	1.5
63.69160	0.9
66.94543	0.9
68.99818	3.4
69.03463	5.2
70.42961	0.9
71.01380	3.8
72.79993	1.1
72.99297	1.8
75.00871	2.1
83.01374	2.7
83.05038	2.0
84.99314	71.2
85.02941	4.9
87.00880	1.7
90.03600	0.9
95.01383	1.1
95.05003	1.3
97.02983	1.4
98.19865	3.4
99.00879	3.1
105.06474	1.0
111.08231	1.2
112.92307	1.2
112.98819	2.3
113.06082	1.6
114.93452	0.9
127.00375	23.4
127.01307	1.6
128.00702	1.4
128.05054	3.4
128.98323	9.6
130.06627	3.4
139.07732	1.2
141.98990	1.2
142.02744	2.3
142.28856	1.1
156.86603	1.6
156.89449	5.1
156.97786	3.3
157.01437	4.3
157.05077	3.8
157.08723	6.5
157.12338	100.0
157.86285	3.6
158.06093	3.0
158.08250	4.3
158.12729	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	158.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
55.59136	0.3
57.03448	3.6
57.41326	0.4
58.02979	0.5
59.01367	1.7
66.03477	1.5
68.01409	0.5
68.05054	0.9
69.03452	7.8
70.00117	0.4
70.02977	0.9
70.03813	0.5
71.01385	6.1
71.09546	0.9
72.00898	1.7
72.99310	0.5
73.02922	1.0
74.02479	0.7
78.03481	1.7
78.95898	0.9
79.01872	1.0
81.02190	0.9
82.02984	0.6
83.01388	1.2
84.04559	2.5
85.02955	4.2
86.02487	2.4
86.06117	13.1
87.00861	0.8
87.04508	1.0
87.06435	0.5
94.02993	1.5
94.80888	0.4
95.01383	0.6
96.04551	100.0
97.02950	10.6
97.04892	2.6
99.00880	1.8
100.01646	1.3
101.02453	0.5
109.21325	0.4
111.00889	0.6
112.04049	9.6
113.02443	1.0
113.06146	0.4
114.01953	1.1
114.05605	7.6
115.04014	0.6
116.07169	4.5
117.88554	0.4
128.03496	0.4
140.03523	0.8
141.01936	0.7
158.04590	14.1
158.08170	1.2
158.89319	3.1
158.92549	0.5
159.02986	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	155.1079
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
55.01882	31.8
58.64405	5.7
59.01371	9.7
67.01879	16.7
70.09831	27.1
71.01377	9.4
77.69129	5.3
83.01392	52.8
83.05018	17.8
84.00920	7.9
84.04547	9.1
85.02944	6.2
93.03462	10.5
95.01368	19.1
95.64714	5.5
98.19922	5.9
109.02934	10.4
110.63649	5.4
111.00880	40.3
111.04516	23.0
111.08111	6.7
112.01655	10.0
113.02432	8.6
114.05618	48.2
116.26016	5.9
123.00903	10.4
127.00381	18.5
137.02397	6.4
140.01160	74.0
148.84315	5.2
154.99840	35.9
155.02501	10.8
155.03493	21.7
155.10776	100.0
156.06648	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	157.0507
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
59.01357	0.6
65.80904	0.5
68.99823	0.8
69.03453	1.0
69.98544	1.6
71.01398	1.0
82.64850	0.4
84.99310	0.7
85.02950	1.3
95.05035	0.8
98.19858	0.5
99.00880	1.0
113.06088	100.0
114.05687	0.7
114.06406	3.4
118.00587	0.4
127.00365	3.8
128.05046	0.8
130.06627	0.7
156.89496	0.9
157.05051	8.5
157.08716	2.5
157.12338	2.3
158.06223	0.4
158.08235	1.1
163.25967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0921
Annotation	4-Hydroxy-3,5,5-trimethylcyclohex-2-enone
Peak:m/z	Relative Intensity
57.03437	0.8
59.79449	0.6
62.19824	0.8
64.81071	0.7
66.88513	0.5
69.03456	2.5
69.32171	2.9
69.32599	2.8
78.37970	0.6
81.03442	0.9
83.05013	1.2
95.05026	7.8
95.86906	0.6
97.02957	9.2
98.03748	0.7
108.05827	0.7
109.02952	10.4
109.06597	10.2
110.00088	1.7
111.04514	4.1
122.03753	6.2
123.08171	8.0
125.06103	0.7
125.09689	0.7
135.08182	4.0
136.05302	8.1
137.06052	2.2
137.99609	1.8
138.06868	100.0
139.07190	4.8
151.07652	0.9
153.01962	3.2
153.05600	1.5
153.09212	35.6
154.09543	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.6
55.01875	0.6
59.06475	0.4
59.30562	0.4
61.98817	0.9
65.00330	4.1
65.03977	0.4
66.03486	1.5
67.01875	0.5
68.99822	2.0
69.03452	1.5
70.40340	1.5
71.01360	0.6
71.05018	0.7
72.99302	0.8
80.96524	1.1
81.03458	3.5
82.02988	1.8
83.01382	2.4
83.05011	0.9
91.01895	1.4
91.10849	0.4
93.03457	0.4
95.01394	0.9
96.99308	0.8
97.02952	2.4
97.03483	0.4
97.06589	7.6
99.08154	2.3
107.01360	0.7
107.05026	0.6
108.02179	10.0
109.02953	100.0
109.06595	1.6
110.00095	6.2
110.02540	0.8
110.03266	5.3
112.04071	0.7
123.00877	1.1
123.04507	1.8
124.01682	1.4
124.04050	2.8
124.98804	0.7
125.02459	5.2
125.09692	0.6
135.04533	1.7
136.04027	1.2
137.09737	0.5
137.99599	10.1
138.03233	1.8
138.99927	0.5
151.00388	2.7
151.11316	0.4
153.01944	30.6
153.05591	4.9
153.07552	1.1
153.12854	20.8
153.86890	6.4
154.01434	1.7
154.02345	1.5
154.05109	1.7
154.13208	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	153.0557
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
55.60747	0.4
57.03447	1.0
62.54746	0.4
65.00336	1.1
65.03969	0.6
66.03493	2.2
68.99812	1.3
69.03464	1.5
69.87602	1.0
69.88007	1.5
72.99319	0.9
73.58064	0.4
80.96536	0.6
81.03459	3.7
81.05965	0.4
82.02990	1.5
83.01376	2.1
83.05033	0.9
91.01904	0.6
93.03457	1.2
95.01389	1.2
95.05029	4.0
96.96020	1.4
96.99315	0.7
97.02937	2.9
98.20617	0.7
105.46255	0.5
107.01370	1.3
108.02177	5.7
109.02951	48.9
109.06580	3.2
110.00089	9.1
110.02513	1.0
110.03298	1.7
111.04512	1.3
112.04046	0.6
121.02979	0.7
122.03733	3.4
123.00942	3.6
123.04527	100.0
123.08130	1.5
124.01678	1.2
124.04035	3.9
124.04870	3.4
124.98811	0.6
125.02452	5.3
135.04546	1.5
135.08159	0.8
136.04048	1.1
136.05272	1.2
137.02406	0.7
137.99586	13.9
138.03276	3.0
138.06868	16.8
139.07201	0.9
151.00327	2.8
153.01945	25.5
153.05573	19.7
153.07452	3.1
153.09201	7.5
154.01308	0.8
154.02339	1.4
154.05095	1.7
154.06175	0.5
155.03043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26110	0.2
65.02434	0.2
66.03487	0.2
71.00408	0.3
71.00731	0.3
79.95746	0.8
80.96510	1.1
93.38731	0.2
108.02190	0.5
108.04572	0.3
109.02965	1.5
121.02895	0.3
122.03743	63.6
123.04632	5.4
124.01659	3.6
124.04851	0.3
136.01656	0.8
137.02446	7.3
138.02779	0.4
152.07172	100.0
152.98627	0.4
153.02011	1.4
153.07518	5.0
154.02719	8.2
155.03047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0717
Annotation	Dopamine
Peak:m/z	Relative Intensity
52.05624	0.4
61.82865	0.4
65.00315	0.5
66.03477	1.6
69.03462	0.5
70.94981	1.0
78.95905	7.3
79.63676	0.4
79.95747	0.6
80.96516	2.3
81.03455	1.2
83.01394	2.4
85.02938	0.5
97.02971	0.6
108.02198	3.3
108.04565	2.4
109.02956	18.1
109.06585	0.6
110.00107	3.1
110.02412	0.4
122.03739	56.5
123.00904	0.6
123.04637	5.7
124.01669	5.3
124.04878	0.9
125.00085	2.8
125.02452	1.7
135.04553	0.5
136.01674	1.6
137.02463	9.2
137.99603	3.4
151.00400	2.3
152.07170	100.0
152.98604	0.6
153.01945	8.8
153.03136	1.0
153.05576	1.1
153.07532	4.4
154.02722	8.9
155.03043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0194
Annotation	3,5-DIHYDROXYBENZOIC ACID
Peak:m/z	Relative Intensity
57.03435	0.7
58.18890	0.7
65.00327	9.2
65.03953	0.9
66.03492	1.2
67.01892	2.1
68.99802	2.1
69.03464	2.2
71.01394	1.0
71.54136	1.1
72.99305	1.8
79.01884	1.3
80.96519	1.5
81.03458	8.3
82.02979	1.5
83.01391	4.3
83.05027	0.9
85.02961	2.2
91.01858	0.6
95.01392	2.7
95.04984	0.8
96.96020	5.9
96.99288	1.1
97.02946	11.8
97.06603	0.7
98.02497	0.8
107.01395	2.8
108.02177	22.7
109.02953	96.2
109.06596	2.7
110.00097	19.2
110.02565	0.9
110.03259	3.7
111.00925	1.7
111.04594	0.9
116.56114	0.6
122.03763	0.6
123.00914	3.9
123.04496	5.8
123.08258	0.6
124.01632	2.2
124.04051	2.0
124.04852	0.8
125.02457	16.0
135.04541	1.9
135.08192	1.0
136.04030	1.2
137.99585	24.1
138.03192	2.6
138.06883	5.9
151.00378	6.5
152.01152	2.4
153.01936	100.0
153.05559	7.1
153.07529	6.1
153.09192	1.7
154.02361	3.4
154.05084	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	152.0355
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
53.00295	1.1
55.86548	1.0
56.55087	0.7
65.00320	3.7
66.03484	7.8
67.01886	1.2
68.99792	1.1
69.03436	1.5
69.36707	6.4
80.96519	1.5
80.99821	1.2
81.03451	4.6
83.01388	2.4
86.94021	0.8
91.01897	1.1
92.83642	0.8
95.01369	1.4
97.02938	2.4
98.19897	1.8
107.01401	1.1
108.02171	12.6
108.04576	5.0
108.05246	1.2
109.02953	100.0
109.06612	1.9
110.00116	5.2
110.02475	1.3
111.00806	0.8
111.04453	1.0
122.03738	48.3
123.00895	0.9
123.04479	3.8
124.01707	1.7
125.02464	4.7
129.65509	0.9
135.04504	1.2
137.02068	3.5
137.99600	8.1
138.03250	2.0
138.97238	0.9
151.00362	2.0
152.01071	3.0
152.03523	90.9
152.07161	25.2
152.08397	1.1
153.01942	27.1
153.03911	2.8
153.05597	4.4
153.09314	0.9
154.02705	3.3
156.06259	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0354
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
57.10832	0.3
57.32707	0.3
59.49747	0.3
65.00323	0.7
66.03488	1.9
68.99820	0.4
69.45045	2.4
76.95504	0.3
78.03480	1.2
80.28130	0.3
81.03462	1.2
83.01381	0.5
97.02938	0.4
104.01453	0.4
106.02979	0.5
107.01334	0.3
107.03770	5.7
108.02202	2.7
108.04559	0.9
109.02953	21.9
110.00098	1.5
110.02470	0.4
121.02961	0.9
122.02412	1.1
122.03742	32.3
123.00905	0.5
123.04075	1.0
124.01714	0.5
124.04000	0.5
124.04883	0.4
125.02444	1.0
134.02475	0.5
136.01729	0.4
137.02097	0.9
137.99603	2.1
138.03156	0.5
152.03532	100.0
152.07085	5.1
153.01949	6.8
153.03874	3.5
153.05569	1.1
153.12845	0.5
154.02734	0.4
159.25478	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0456
Annotation	Ribulose
Peak:m/z	Relative Intensity
51.40539	0.8
56.43762	0.8
57.93489	0.8
59.01381	9.2
62.84695	0.8
65.91437	0.8
69.03444	2.7
71.01380	31.0
71.01771	1.6
71.02277	1.1
72.99318	4.0
73.02948	22.3
75.00878	2.0
82.97733	0.8
85.02943	1.0
87.00879	14.5
89.02444	100.0
90.02765	1.9
101.02423	1.9
102.04306	0.9
102.77888	1.1
103.04013	5.1
103.06571	0.8
121.02984	1.0
131.03485	7.2
144.98508	0.8
149.00946	1.5
149.04552	29.5
154.49411	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0456
Annotation	L-xylulose
Peak:m/z	Relative Intensity
59.01382	9.1
61.87106	0.9
69.03465	2.8
69.88615	3.8
71.01383	38.3
72.99285	2.8
73.02946	23.6
75.00846	1.3
79.95726	2.2
85.02967	2.2
85.37050	1.1
87.00874	13.9
89.02446	100.0
90.02785	1.9
93.03464	1.9
98.19918	1.2
101.02416	1.5
103.04021	6.7
121.02966	9.5
122.06139	2.5
123.04568	1.2
126.03159	1.2
131.03493	9.5
133.01550	3.6
134.03738	1.3
148.95265	3.3
149.00952	1.3
149.02438	5.8
149.04539	34.8
150.05672	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	149.0972
Annotation	Pinocarvone
Peak:m/z	Relative Intensity
58.13813	2.8
59.01363	3.2
67.62242	3.2
71.01382	10.4
71.55735	4.7
72.99305	3.9
73.02943	4.4
87.00874	5.4
89.02453	24.0
93.03465	4.9
121.02975	23.5
121.06609	4.8
123.04496	3.4
128.86705	3.2
133.06587	13.6
134.03754	8.4
134.07410	16.3
149.02437	14.2
149.04514	4.3
149.06076	8.0
149.08514	5.5
149.09724	100.0
150.05663	4.0
150.10014	9.0
163.36078	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	147.03
Annotation	(R)-2-Methylmalate
Peak:m/z	Relative Intensity
55.30979	1.5
57.03444	27.2
59.01374	21.8
61.01165	1.5
71.01382	9.0
71.05004	6.5
71.53912	2.8
72.99309	3.9
75.00860	4.7
85.02948	64.7
86.03268	3.4
87.00875	100.0
88.01187	2.8
89.02435	2.4
92.05039	13.2
99.00874	2.7
101.02433	3.3
101.06069	4.8
102.03520	1.8
103.04001	7.3
107.03605	2.5
119.03300	4.0
120.04574	8.4
129.01938	13.5
129.03824	1.5
130.02965	5.2
131.03751	4.5
146.02512	1.8
147.03032	29.9
147.04462	3.8
147.06618	7.6
148.04050	41.3
148.06271	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	147.03
Annotation	(R)-2-Methylmalate
Peak:m/z	Relative Intensity
54.58981	2.4
55.01882	2.2
57.03444	27.2
58.00604	3.0
59.01381	29.8
71.01376	16.5
71.05019	12.6
71.51131	3.8
72.99303	8.1
75.00874	9.0
85.02947	68.7
87.00873	100.0
92.05049	21.6
99.00871	4.6
101.02447	2.5
101.06093	10.1
103.04002	9.2
103.05953	4.0
107.03612	4.2
107.47870	2.6
111.27723	2.4
112.93343	2.7
119.03302	4.6
120.00990	2.7
120.04573	13.3
129.01921	14.1
130.03008	9.3
131.03769	8.9
147.03044	31.8
147.06635	14.5
148.04044	60.6
148.06244	4.7
149.18846	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	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
58.67021	1.2
61.64545	1.3
66.65434	1.2
69.19668	12.3
97.06575	3.5
98.19913	2.8
99.08159	100.0
100.08508	3.5
119.80353	1.3
137.64931	1.4
145.06961	2.8
145.08707	31.6
146.02422	2.2
146.09142	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	146.046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65021	0.9
57.03448	1.2
59.01366	2.4
62.61207	0.7
65.82976	0.8
71.01366	3.5
71.52819	1.2
72.53027	0.7
74.02464	1.6
84.04556	1.6
85.02927	3.4
85.07729	0.8
89.52773	0.7
96.81216	0.8
99.00877	1.9
101.02438	0.7
102.05611	100.0
103.05927	3.4
112.81439	0.8
128.03543	31.7
129.03883	1.1
140.22711	0.8
146.04613	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	147.03
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
55.01876	4.7
56.13665	4.2
57.03428	14.7
59.01377	93.9
68.05034	5.3
68.99834	4.5
69.73036	30.1
71.01382	100.0
72.99294	18.7
73.97773	4.5
75.00874	37.9
83.01350	6.3
85.02962	26.3
87.00862	12.4
89.02455	10.5
99.00873	52.9
101.02419	5.7
102.05595	27.0
103.05287	9.7
103.05930	82.0
111.00881	6.4
128.39973	5.9
129.01904	10.8
129.03889	31.4
147.02986	8.0
147.04884	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	144.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35942	1.4
59.27758	1.2
69.03474	2.3
70.47930	4.3
70.48292	1.9
71.01390	4.2
72.00900	4.5
80.05074	1.7
82.02990	3.7
87.00879	3.4
88.04054	2.1
96.04523	1.7
98.06121	5.5
98.20554	1.6
99.00924	1.5
100.04011	1.6
100.07692	1.7
100.15621	1.6
102.05612	27.9
115.00378	2.4
125.02441	5.5
126.05592	2.3
127.98296	1.6
142.05099	13.1
144.03050	6.7
144.06664	100.0
145.01436	1.6
145.07014	2.8
146.07387	1.3
146.71814	1.6
148.71941	1.5
161.52365	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02955	1.1
59.01368	2.4
69.03448	1.9
70.02980	1.3
71.01377	4.5
72.00906	4.1
82.02989	6.0
83.01394	1.3
87.00893	3.7
96.04534	1.7
98.06113	4.7
100.04021	3.2
102.05608	20.2
103.05954	1.3
110.90479	1.2
115.00385	2.0
125.02446	3.9
126.05583	2.1
127.00347	1.6
130.56276	1.3
142.05093	12.9
144.03061	9.5
144.06664	100.0
145.01439	1.9
145.07005	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	143.0715
Annotation	alpha-Ketopantoate
Peak:m/z	Relative Intensity
61.33141	1.2
69.03445	5.1
71.01371	5.4
71.53558	1.7
72.00931	2.5
72.99309	49.7
81.03442	2.0
85.02939	4.7
88.04050	2.3
94.90083	1.1
95.05008	1.4
97.06594	39.3
98.06107	5.3
98.06886	1.9
99.04490	2.2
99.08138	1.6
99.14607	1.4
113.02440	1.3
124.11730	1.3
125.02423	5.5
125.06084	65.9
126.06409	4.3
136.08907	1.3
142.05089	14.3
143.03491	2.2
143.07123	12.8
143.10785	2.8
144.04533	8.1
144.06660	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	19.8
56.36063	2.6
59.01377	7.3
62.00689	2.9
68.99829	5.2
69.03458	4.4
69.65518	5.1
69.65934	13.8
71.01379	43.7
71.03268	2.6
71.05040	3.7
72.00895	4.1
72.99310	4.6
80.99811	7.8
82.02987	10.9
87.00870	7.8
93.64083	3.1
95.70354	2.9
96.99318	25.7
98.06127	7.7
98.19861	4.0
99.00906	3.0
99.04501	5.6
100.04044	5.9
102.05599	16.4
112.98813	32.8
115.00365	6.3
116.43188	2.8
124.98811	61.9
125.02413	9.7
126.05582	4.0
140.16895	3.8
140.98297	13.1
142.05118	14.6
142.99861	86.0
144.02998	15.8
144.06667	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	30.7
54.85820	2.9
58.20084	3.1
59.01375	4.3
63.49203	3.1
66.13418	3.5
68.99822	5.7
69.85563	14.6
69.85967	6.7
71.01376	51.9
71.25332	3.2
72.00902	5.3
79.99065	3.9
80.99825	7.8
84.14190	3.1
87.00866	18.3
91.39078	4.0
96.99300	38.2
98.06132	4.0
99.00913	3.4
99.04503	5.6
112.98803	42.4
115.00380	9.1
120.95577	3.3
124.98805	77.5
124.99728	4.8
125.02474	7.1
140.98296	17.0
142.05096	14.8
142.99857	100.0
144.00203	5.4
144.06664	87.4
144.63849	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	30.7
54.85820	2.9
58.20084	3.1
59.01375	4.3
63.49203	3.1
66.13418	3.5
68.99822	5.7
69.85563	14.6
69.85967	6.7
71.01376	51.9
71.25332	3.2
72.00902	5.3
79.99065	3.9
80.99825	7.8
84.14190	3.1
87.00866	18.3
91.39078	4.0
96.99300	38.2
98.06132	4.0
99.00913	3.4
99.04503	5.6
112.98803	42.4
115.00380	9.1
120.95577	3.3
124.98805	77.5
124.99728	4.8
125.02474	7.1
140.98296	17.0
142.05096	14.8
142.99857	100.0
144.00203	5.4
144.06664	87.4
144.63849	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	135.0301
Annotation	Erythronic acid
Peak:m/z	Relative Intensity
55.01876	0.5
59.01380	12.9
65.45608	0.4
69.75006	2.3
69.75412	1.1
71.01379	4.9
72.99308	17.5
73.02957	1.5
75.00871	100.0
76.01213	2.8
87.00874	26.4
88.01205	0.9
89.02441	8.0
95.42633	0.4
117.01922	2.9
134.86577	2.5
134.89474	1.7
135.02994	30.3
135.04486	2.3
136.03304	0.8
143.03477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0973
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
57.03448	1.6
60.21471	1.1
64.23950	1.2
69.46965	7.6
73.62086	1.1
81.03455	8.1
93.03461	32.0
94.03009	2.7
94.03770	1.9
94.79066	1.3
95.08669	6.9
97.06574	1.9
98.19911	2.9
100.15127	1.1
108.02253	2.1
109.02943	2.2
121.06595	97.3
122.06966	5.9
137.02443	9.9
137.09720	100.0
138.01941	2.5
138.10045	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	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
54.16152	0.8
55.01860	0.8
67.01859	0.8
68.15350	0.6
91.53645	0.6
93.03413	0.8
94.02982	1.8
94.03809	1.9
98.19766	0.7
108.02178	80.1
109.02519	3.3
111.00906	3.1
121.23628	0.6
123.03259	0.8
138.01976	100.0
139.00417	1.7
139.02350	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	141.017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07560	1.5
55.01870	2.9
57.03445	2.2
59.01377	100.0
67.01865	2.4
68.99832	9.4
69.03455	3.9
70.93722	3.1
71.01389	1.9
83.01363	1.8
85.02960	7.7
95.01364	5.7
97.02937	4.5
97.37959	1.3
99.00858	2.2
99.92577	13.6
100.03983	1.4
111.00854	2.0
123.00834	2.8
125.87314	4.3
141.01947	11.4
141.86816	26.7
154.24542	1.5
157.86339	3.0
159.87837	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	134.0473
Annotation	Adenine
Peak:m/z	Relative Intensity
50.41567	0.4
52.82795	0.4
65.01437	1.5
68.02550	0.6
69.90075	2.0
71.01354	0.8
72.01718	1.1
72.99297	1.0
75.00867	3.9
80.02542	0.6
87.00900	0.6
92.02543	10.1
93.03444	0.4
98.20607	0.5
106.02985	0.5
106.04263	0.8
107.03635	40.0
107.04994	2.4
108.03991	0.9
116.00720	1.6
134.04723	100.0
134.89470	0.6
135.02963	0.8
135.03386	0.5
135.04520	6.1
135.05228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
53.89274	1.0
57.03432	2.0
58.71925	1.0
59.01369	3.1
71.01379	96.0
71.30325	1.5
71.30655	1.3
72.01721	1.6
72.99306	23.5
83.61763	1.1
87.00900	5.7
87.04472	2.1
89.02444	8.8
93.89892	1.0
115.00372	100.0
116.00725	3.4
133.01416	19.1
133.05118	5.0
134.04703	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Malate
Peak:m/z	Relative Intensity
50.35443	0.6
51.45524	0.5
53.61882	0.5
57.03475	0.5
57.15625	0.5
59.01377	5.4
65.01466	0.8
70.26309	2.0
70.26697	1.4
70.31272	0.5
70.58466	0.5
71.01380	25.0
71.01776	1.2
72.01720	1.2
72.99306	12.8
73.02972	1.2
75.00866	0.9
80.02551	0.6
87.00870	1.2
89.02447	3.0
92.02549	8.3
107.03636	36.3
115.00373	33.6
116.00712	0.7
127.00670	0.6
133.01421	6.1
133.05072	4.1
134.04726	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	128.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
57.03444	2.4
67.01888	4.4
69.91558	2.4
69.91924	1.0
71.01366	0.8
82.02984	1.7
85.02956	3.8
90.27711	0.5
101.02490	0.9
128.02574	0.9
128.03545	24.5
128.07178	100.0
128.90154	1.1
129.01956	0.8
129.03883	0.9
129.07549	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	128.0718
Annotation	CYCLOLEUCINE
Peak:m/z	Relative Intensity
67.01896	1.9
68.99825	1.3
69.16226	7.9
69.16646	2.9
71.01389	1.0
84.86295	1.0
85.02953	1.2
86.53006	0.9
98.20650	2.2
128.03531	2.0
128.07185	100.0
129.07565	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	130.0875
Annotation	beta-Alaninebetaine
Peak:m/z	Relative Intensity
50.03616	1.9
50.14414	2.0
57.03450	9.2
59.01369	3.6
62.15585	1.6
69.03447	2.3
71.01379	7.5
72.59235	1.7
73.02940	12.5
85.02946	40.1
85.06593	31.1
87.04524	7.7
98.20645	7.7
119.01154	2.0
130.08739	100.0
131.03481	15.1
131.07162	10.3
131.09079	5.4
135.63019	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	131.0715
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
57.03461	5.4
59.01369	2.2
68.99815	2.2
69.03457	7.2
69.48374	7.3
71.01392	7.2
71.05038	1.0
72.99271	1.2
73.02954	10.2
83.05020	1.6
85.02952	28.6
85.06587	100.0
85.68533	1.1
86.03252	1.5
86.06916	3.4
87.04517	11.0
88.04034	0.9
113.02450	3.2
113.06112	1.8
129.05624	1.4
131.03503	9.4
131.07141	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67371	2.7
55.01664	3.0
55.01874	35.3
70.35627	7.5
70.35950	2.7
71.01376	4.8
79.14761	2.9
83.01388	31.8
85.98962	3.0
90.47670	2.5
98.69572	2.8
99.00874	69.3
100.01205	3.3
125.39378	2.6
126.90456	7.7
127.00397	36.2
128.03540	46.3
128.07175	100.0
143.09079	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0766
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
59.01382	8.3
69.27299	32.3
71.01350	4.3
100.88261	4.8
109.06538	5.3
113.03510	4.0
125.36043	3.8
126.90440	15.5
127.00369	8.2
127.04031	9.1
127.07655	56.5
128.03563	5.1
128.07178	100.0
132.58353	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	125.0245
Annotation	Hydroxyhydroquinone
Peak:m/z	Relative Intensity
51.90981	0.9
53.00314	1.1
57.03450	5.6
59.77487	0.9
61.52139	0.9
67.01880	2.5
69.03462	16.2
69.90566	2.4
69.90980	3.9
79.01895	3.9
80.99771	1.0
81.03450	5.2
81.85698	1.0
82.02962	1.2
83.01398	2.8
95.01386	2.7
96.99332	7.5
97.02956	13.4
98.20565	1.5
107.01384	1.8
108.02246	1.2
121.73772	0.9
124.01679	2.3
124.98814	2.0
125.02450	100.0
126.01936	2.0
126.02787	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	125.0245
Annotation	Hydroxyhydroquinone
Peak:m/z	Relative Intensity
50.41424	0.9
57.03444	8.6
64.61000	1.1
65.89608	1.0
67.01890	2.0
67.25356	1.0
69.03450	13.7
69.39923	7.5
79.01889	3.6
81.03466	2.7
83.01400	2.7
85.62432	1.1
93.30781	1.0
95.01368	1.4
97.02962	7.1
124.01655	3.6
125.02448	100.0
126.02809	4.8
128.25156	1.2
144.57292	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19149	4.1
54.64850	4.2
55.01863	13.6
67.03017	6.3
70.66730	7.4
70.67050	7.3
82.02976	10.0
83.01379	15.1
89.00243	4.5
99.00873	36.7
100.01241	4.3
101.23006	4.9
109.04076	5.4
127.00366	20.2
127.05119	17.9
128.02602	4.9
128.03543	100.0
128.07211	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	127.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	17.4
55.44193	1.4
59.14628	1.6
64.70558	1.5
70.73000	2.9
71.01372	3.1
83.01388	14.2
97.00749	2.0
99.00879	34.8
126.90418	2.8
127.00380	19.4
128.03529	2.0
128.07179	100.0
149.25426	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	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01368	0.9
71.55180	1.1
71.55547	1.1
72.97437	0.8
86.22182	0.7
88.78227	0.7
91.05537	0.9
93.03464	6.1
118.92673	1.7
119.05026	100.0
120.05354	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
50.52831	0.7
52.10774	0.7
59.01377	1.1
60.55462	0.7
61.35481	0.7
62.90398	0.7
73.02943	1.0
76.33092	0.8
86.21743	0.8
88.53972	0.7
91.05536	1.5
93.03445	6.3
98.20264	5.1
101.92417	1.4
117.03481	0.9
119.05027	100.0
120.05363	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
55.76805	0.7
58.20550	0.6
65.00298	0.7
66.03470	1.6
66.45197	0.7
71.56160	0.9
78.46157	0.7
82.44438	0.6
84.72561	0.6
91.01896	1.3
93.03463	4.7
94.02982	9.8
95.01425	1.2
108.02175	5.0
121.02958	100.0
122.02474	6.2
122.03304	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	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.61275	0.8
56.53637	0.7
66.03487	1.7
71.11761	1.8
86.67694	0.9
93.03447	3.7
94.02962	7.7
108.02165	3.8
121.02956	100.0
122.02607	5.6
122.03304	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	122.0249
Annotation	Nitrobenzene
Peak:m/z	Relative Intensity
52.05692	3.2
53.81297	3.2
56.79729	3.2
69.16679	22.1
69.17094	10.5
78.03482	16.5
78.70825	3.7
78.95911	4.4
79.72079	3.5
79.95721	5.2
92.58496	3.4
94.02988	91.0
95.01381	58.3
95.03352	3.5
122.02489	100.0
122.03320	9.5
123.00891	23.4
123.04517	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	123.0453
Annotation	Trichodenone A
Peak:m/z	Relative Intensity
56.47638	2.8
59.01370	13.1
66.03475	5.2
67.01906	6.3
68.99798	4.3
69.18488	30.8
80.05044	2.9
80.63782	3.2
81.03462	97.7
82.02986	11.8
82.03786	3.0
93.03433	3.7
94.02953	6.6
95.01394	100.0
95.05035	8.3
96.01715	4.6
96.04559	7.7
98.20766	4.8
105.03479	3.2
108.02164	7.7
109.01730	3.8
110.61342	3.1
122.03776	2.9
123.00882	52.0
123.04520	55.6
124.01650	12.9
124.04042	18.4
124.04835	3.9
127.55177	2.9
144.32881	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	124.016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	8.3
66.03477	3.5
67.85043	1.8
69.03450	18.5
69.30546	4.7
69.30950	13.4
79.01909	2.3
81.03437	4.7
82.03006	3.1
83.01385	3.1
85.63573	2.2
89.93987	2.0
94.03008	5.7
95.01403	4.6
96.01709	2.4
96.04523	4.5
96.99329	4.4
97.02940	10.7
123.00877	8.1
124.01668	20.0
124.04001	11.0
125.02448	100.0
125.06098	7.6
125.24618	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	125.0245
Annotation	Hydroxyhydroquinone
Peak:m/z	Relative Intensity
50.01882	2.0
62.80725	2.0
67.01902	2.2
69.03458	11.2
69.25015	1.9
69.85416	7.1
69.85829	3.3
78.36587	2.1
79.01880	5.8
81.03458	8.3
83.67140	1.9
95.01369	2.4
96.99333	11.0
97.02943	13.6
98.20627	2.7
105.06969	2.5
107.52173	2.1
124.01712	3.0
124.98944	4.0
125.02449	100.0
126.02800	6.1
127.23237	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	115.0038
Annotation	Formylpyruvate
Peak:m/z	Relative Intensity
59.01377	9.6
70.02114	7.9
70.02467	3.4
71.01382	100.0
71.05006	9.7
72.01717	3.1
73.99221	1.7
74.02474	8.6
78.01493	1.7
87.00893	7.7
97.02952	1.9
115.00399	10.1
115.04015	3.0
115.05189	2.6
115.05955	40.7
116.07190	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	115.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	10.1
71.01381	100.0
71.05009	9.3
71.41914	2.0
71.54574	3.9
73.98469	1.9
74.02476	6.8
83.08839	2.2
87.00882	9.1
98.02442	2.4
115.00356	10.1
115.04040	3.9
115.05187	3.3
115.05954	47.3
115.52894	2.1
116.05970	1.8
116.07186	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	117.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13941	0.4
54.15637	0.5
55.01884	0.8
59.30033	0.5
66.46233	0.5
70.70677	1.1
70.71021	0.7
73.02943	100.0
74.03296	2.5
81.89771	0.5
99.00883	8.4
99.92580	2.5
100.92603	0.6
116.92863	6.4
117.01933	12.4
135.04585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0195
Annotation	Succinic acid
Peak:m/z	Relative Intensity
51.18483	0.3
55.01871	0.9
55.02821	0.3
56.91147	0.3
59.01371	0.5
69.95318	0.5
69.95720	0.8
73.02946	100.0
74.03284	2.8
74.17363	0.3
98.19851	0.3
99.00878	8.7
99.92588	3.5
100.92588	0.5
111.03790	0.3
116.92860	9.0
117.01942	11.3
117.92892	1.1
118.02995	0.5
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
54.13941	0.4
54.15637	0.5
55.01884	0.8
59.30033	0.5
66.46233	0.5
70.70677	1.1
70.71021	0.7
73.02943	100.0
74.03296	2.5
81.89771	0.5
99.00883	8.4
99.92580	2.5
100.92603	0.6
116.92863	6.4
117.01933	12.4
135.04585	0.5
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
54.13941	0.4
54.15637	0.5
55.01884	0.8
59.30033	0.5
66.46233	0.5
70.70677	1.1
70.71021	0.7
73.02943	100.0
74.03296	2.5
81.89771	0.5
99.00883	8.4
99.92580	2.5
100.92603	0.6
116.92863	6.4
117.01933	12.4
135.04585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05092	0.3
82.02983	0.6
94.02983	7.8
94.03530	0.7
94.06580	0.5
95.05029	0.3
106.06643	0.6
107.01411	0.4
108.04557	1.4
110.06123	2.3
120.04554	0.4
120.08175	0.4
121.05332	0.4
122.06111	5.2
124.04034	1.7
125.02460	1.4
130.06651	0.5
134.06116	0.9
136.04027	1.3
137.04749	0.6
138.05614	3.6
139.04045	0.3
144.04572	1.0
146.06136	1.0
147.05637	0.7
147.43671	0.3
148.19954	0.3
150.05641	2.1
151.00325	1.7
160.04008	0.7
161.04791	1.3
162.05647	0.6
168.06650	0.8
169.01425	1.4
172.04041	0.5
172.11279	0.8
173.04773	0.5
174.05594	2.4
175.05139	0.9
178.99829	0.8
180.06665	1.2
186.05583	0.7
186.12938	0.5
187.06337	0.4
188.03505	0.6
188.07204	1.0
193.03862	0.4
201.10335	5.9
203.05856	1.3
203.11842	0.8
204.06673	0.4
210.07840	0.4
211.08656	0.6
213.10332	3.1
215.11896	2.5
217.09734	0.4
223.08742	0.7
225.10326	0.9
227.11870	2.3
229.09814	7.1
229.13341	2.7
235.08752	0.6
236.09538	0.8
237.10262	1.8
238.10939	0.7
239.08340	0.7
239.09506	0.5
239.11887	6.8
240.12337	0.5
241.09877	1.1
243.02942	0.9
243.11436	0.6
245.12901	0.7
247.10901	1.3
249.10370	1.3
251.08247	1.6
251.11925	2.2
252.12370	0.4
255.03018	2.2
255.11391	3.0
257.09143	0.6
257.12973	3.1
259.10828	1.7
261.10184	0.6
263.08292	1.7
263.11859	1.2
264.08997	4.9
265.09753	4.0
266.10440	0.9
267.08566	0.5
267.11377	3.2
271.02499	4.6
271.10809	0.7
272.02893	0.4
272.11676	0.4
273.12372	3.2
275.08118	0.4
275.13910	0.4
276.08951	1.0
277.06992	0.3
277.09717	1.7
278.07272	0.5
278.10544	0.9
279.07950	0.9
279.11356	7.7
280.12003	1.0
281.09183	1.2
281.12961	1.9
283.10864	2.5
285.12354	0.4
289.11969	1.4
290.10275	0.7
291.07742	2.2
291.11386	4.9
292.08569	7.7
292.11786	0.8
293.09308	3.5
300.02744	8.2
301.03503	5.4
301.11893	10.4
302.12521	0.5
305.09427	0.7
306.10083	3.1
307.10864	19.3
308.11493	4.3
309.12311	1.9
311.10315	0.6
313.12021	0.4
316.11005	0.5
319.12970	34.9
320.13254	1.9
321.12473	1.1
322.13287	0.7
323.10474	0.7
323.14102	1.0
325.11801	1.8
327.13559	2.4
328.14594	0.4
330.12350	0.8
333.08624	0.7
335.10376	1.4
339.13431	0.9
340.10693	1.3
343.13315	1.2
344.10165	0.5
344.14041	1.0
346.15701	0.8
349.13934	1.5
350.09058	7.7
350.13470	0.7
351.09851	18.2
352.10327	2.2
353.11432	0.7
356.13980	0.7
357.11163	0.5
358.11832	0.6
358.15723	0.7
359.12610	0.8
360.17212	0.7
362.18774	0.5
363.15933	0.5
365.11368	2.5
366.12079	0.7
367.13055	0.7
368.14078	0.5
370.15668	0.8
371.12653	0.8
372.13531	2.1
372.17563	0.6
373.14673	0.6
374.15015	1.0
375.15741	0.7
376.16730	0.7
377.13751	1.0
378.18375	0.5
379.18851	0.7
383.12521	1.4
384.17099	1.0
385.18387	0.4
386.15009	4.0
387.15771	2.0
388.16751	2.5
390.14493	0.5
396.13623	0.4
400.12378	0.7
400.17130	2.0
401.17401	0.8
402.18420	0.7
403.14935	0.6
404.11465	0.6
404.16150	6.0
405.16989	1.7
406.17538	1.5
407.17743	0.5
411.15576	0.5
412.16797	1.1
414.14569	2.0
415.15170	0.4
416.16208	1.2
417.16983	0.7
418.14114	1.6
419.14749	1.2
428.16083	1.6
429.17078	2.5
430.17819	2.6
431.14566	0.4
432.15469	2.8
433.16095	0.9
437.15845	3.4
444.19604	0.7
446.17294	4.9
447.09329	8.8
447.17914	4.7
448.09641	0.6
448.18832	2.7
450.16766	1.4
451.17386	0.6
456.15256	0.8
460.14941	0.6
461.15961	0.5
462.21191	0.6
473.15900	0.8
474.16696	3.2
476.14474	0.5
488.18146	0.6
491.16980	4.1
492.17795	6.9
493.18021	0.7
497.22141	0.5
501.24948	0.5
506.19214	5.2
507.19177	0.4
509.21942	0.9
515.22980	1.1
519.26202	0.9
523.19647	0.5
524.20221	0.5
527.22974	4.2
538.21936	26.8
539.22211	1.9
541.25354	0.4
545.24042	2.9
551.23083	1.4
559.25775	0.7
569.24176	3.1
571.21802	1.8
579.12756	0.4
587.25061	10.6
588.25598	0.6
590.23700	0.5
595.21729	0.7
601.24725	0.5
603.24579	6.4
604.24646	0.5
613.23157	2.7
619.27679	1.1
631.24017	19.9
632.24036	2.7
633.24982	0.4
635.27100	7.8
636.27844	0.6
645.25610	7.9
646.25159	0.7
663.26685	97.2
664.26953	9.8
677.28296	6.4
678.29016	0.5
695.29279	100.0
696.29663	12.1
928.65021	0.4
1141.86597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0561
Annotation	L-Proline
Peak:m/z	Relative Intensity
59.01382	1.1
63.08259	0.5
66.03481	3.1
67.86062	0.5
68.98969	0.6
70.95274	0.5
71.01378	18.8
71.05045	0.6
71.35242	1.1
71.35590	0.6
75.84618	0.5
86.02491	1.4
87.00866	0.9
89.33702	0.5
97.93097	1.2
112.04049	1.2
114.05603	100.0
114.93406	2.2
115.00375	2.5
115.05955	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	114.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76785	0.7
62.10602	0.7
64.30232	0.7
66.03484	2.1
69.03551	0.7
70.71529	1.7
71.01384	9.5
72.63925	0.7
86.02473	1.6
93.77345	0.7
101.28466	0.7
112.04031	0.8
114.05605	100.0
115.00444	0.7
115.05966	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03484	3.3
70.99167	1.4
71.01384	1.1
86.02496	1.2
88.15268	0.6
104.77608	0.6
112.04040	1.0
114.05611	100.0
115.05949	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	1123.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	66.1
96.96950	3.9
125.02464	2.1
135.92114	0.8
150.98039	1.2
152.99583	61.6
153.99985	0.9
169.01497	1.0
171.00621	16.6
227.03278	3.8
245.04300	78.0
246.04654	1.0
253.21707	43.4
254.22061	1.5
277.21536	1.0
281.24783	1.2
478.29391	3.1
479.29630	2.8
481.25690	100.0
482.26187	5.3
895.46014	1.2
1123.48950	21.7
1124.47961	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	1115.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01364	1.0
85.02945	1.8
87.00887	1.1
89.02428	1.3
95.01379	3.0
95.05030	0.7
97.02928	1.7
101.02457	2.0
101.66678	0.7
106.11618	0.7
107.01389	6.8
107.87195	0.7
109.02924	0.9
111.00869	3.1
113.02438	1.5
121.02914	1.2
122.97620	0.7
123.00877	11.8
124.01687	4.3
125.02450	49.6
126.02742	1.1
127.00415	1.0
132.02124	1.5
135.04436	0.8
136.98788	1.3
137.02440	3.1
138.03255	1.3
139.00365	4.8
140.01141	3.4
141.01958	0.9
145.02995	0.8
149.02438	1.5
151.00339	4.0
151.03999	1.4
160.01680	1.1
161.02463	4.9
163.00368	1.0
164.01086	0.9
165.01878	2.5
166.99863	3.2
167.03487	2.1
168.00671	8.3
169.01425	48.6
170.01778	1.5
175.04041	2.5
177.01920	4.7
177.05551	2.3
179.03542	0.9
185.02306	0.7
191.03406	1.0
193.01411	1.9
199.03998	1.4
203.03456	2.3
211.02444	7.5
214.02753	1.2
227.03474	1.0
229.01357	1.0
243.03084	1.3
268.03799	1.3
269.04361	1.4
271.04526	6.5
285.03983	1.2
286.04782	4.6
313.05594	2.8
341.10788	0.7
417.20193	1.0
461.19711	1.1
477.17542	8.2
491.19125	10.6
492.19635	1.4
505.20755	2.8
506.21393	1.8
547.21930	4.1
587.24719	1.4
589.22845	2.1
597.26971	1.7
605.24628	1.1
623.24902	2.3
629.18604	3.1
641.26459	2.1
643.20282	5.6
657.22089	1.8
658.22540	2.1
667.23627	0.9
699.23315	1.0
715.26147	1.0
741.23889	1.1
775.26288	2.3
783.25262	3.3
793.27032	8.2
795.25482	3.9
811.28058	0.9
901.29102	5.1
927.27197	16.1
928.27588	2.2
945.28229	100.0
946.28699	18.2
963.29333	16.2
964.29535	2.8
1115.29297	13.0
1115.50256	1.9
1116.30859	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	1115.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01364	1.0
85.02945	1.8
87.00887	1.1
89.02428	1.3
95.01379	3.0
95.05030	0.7
97.02928	1.7
101.02457	2.0
101.66678	0.7
106.11618	0.7
107.01389	6.8
107.87195	0.7
109.02924	0.9
111.00869	3.1
113.02438	1.5
121.02914	1.2
122.97620	0.7
123.00877	11.8
124.01687	4.3
125.02450	49.6
126.02742	1.1
127.00415	1.0
132.02124	1.5
135.04436	0.8
136.98788	1.3
137.02440	3.1
138.03255	1.3
139.00365	4.8
140.01141	3.4
141.01958	0.9
145.02995	0.8
149.02438	1.5
151.00339	4.0
151.03999	1.4
160.01680	1.1
161.02463	4.9
163.00368	1.0
164.01086	0.9
165.01878	2.5
166.99863	3.2
167.03487	2.1
168.00671	8.3
169.01425	48.6
170.01778	1.5
175.04041	2.5
177.01920	4.7
177.05551	2.3
179.03542	0.9
185.02306	0.7
191.03406	1.0
193.01411	1.9
199.03998	1.4
203.03456	2.3
211.02444	7.5
214.02753	1.2
227.03474	1.0
229.01357	1.0
243.03084	1.3
268.03799	1.3
269.04361	1.4
271.04526	6.5
285.03983	1.2
286.04782	4.6
313.05594	2.8
341.10788	0.7
417.20193	1.0
461.19711	1.1
477.17542	8.2
491.19125	10.6
492.19635	1.4
505.20755	2.8
506.21393	1.8
547.21930	4.1
587.24719	1.4
589.22845	2.1
597.26971	1.7
605.24628	1.1
623.24902	2.3
629.18604	3.1
641.26459	2.1
643.20282	5.6
657.22089	1.8
658.22540	2.1
667.23627	0.9
699.23315	1.0
715.26147	1.0
741.23889	1.1
775.26288	2.3
783.25262	3.3
793.27032	8.2
795.25482	3.9
811.28058	0.9
901.29102	5.1
927.27197	16.1
928.27588	2.2
945.28229	100.0
946.28699	18.2
963.29333	16.2
964.29535	2.8
1115.29297	13.0
1115.50256	1.9
1116.30859	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	111.0453
Annotation	Sorbic acid
Peak:m/z	Relative Intensity
55.01871	3.8
67.01871	5.9
68.99818	1.3
69.03445	2.0
70.58846	2.2
71.01408	1.2
75.60310	0.8
77.08714	0.7
78.95909	3.7
79.44407	0.8
83.01404	6.6
83.05017	4.4
93.03452	0.9
96.02166	3.6
107.36701	0.9
111.00882	19.1
111.04517	100.0
111.94095	0.9
112.04152	0.9
112.04868	3.8
128.01152	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	1111.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03456	0.5
83.01387	2.3
91.01903	0.3
95.01389	0.3
107.01386	8.1
109.02956	6.9
110.03271	0.2
119.01386	0.3
121.66114	0.2
123.00906	0.7
125.02442	3.0
131.65474	0.2
137.02440	17.6
138.02782	0.3
141.54697	0.3
147.00909	0.2
151.00368	34.6
152.00775	0.7
155.03545	0.5
163.00369	1.7
164.01176	1.0
165.01956	1.6
169.01419	2.7
171.04538	0.3
175.04042	0.4
177.01956	0.4
178.99855	26.2
180.00175	0.9
190.99947	0.6
192.00647	2.4
193.01373	1.6
199.03943	0.4
203.03404	0.5
214.02617	0.6
215.03380	0.4
227.03470	1.1
242.02161	0.5
243.02957	1.2
245.04506	0.6
255.03033	0.4
259.02420	0.4
261.04056	0.5
270.01776	0.5
271.02457	4.9
287.02048	1.8
289.03552	0.5
299.01947	0.9
300.02740	0.3
313.05652	0.4
315.01688	0.3
316.02240	7.5
317.03003	100.0
318.03302	5.3
319.03821	0.3
403.12161	0.4
479.08276	5.5
480.08630	0.4
555.13391	1.6
631.09375	65.0
632.09717	6.3
633.09839	0.4
927.96045	0.3
1071.25964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0659
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
59.91922	6.3
66.03462	8.8
69.03449	10.2
69.44698	41.7
69.45102	13.9
73.82718	6.1
91.05540	9.7
93.03448	34.7
107.05015	32.9
108.02140	12.0
109.02956	100.0
109.06597	64.1
110.06929	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	1103.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03479	1.0
83.01380	2.3
93.03477	3.7
97.02947	1.0
97.46889	0.6
100.74088	0.6
105.03467	2.7
107.05026	2.2
109.02954	8.7
111.04554	1.0
117.03420	0.7
121.02992	5.5
123.00877	1.6
123.04556	0.9
124.01624	1.7
125.02447	100.0
126.02786	1.5
131.05026	1.1
132.02097	1.0
133.02943	3.1
135.00856	0.8
137.02444	16.5
139.04015	6.4
147.00923	1.5
147.04553	1.4
149.02426	7.1
149.06168	0.9
151.04024	8.6
155.05000	0.8
159.04512	2.0
161.02463	18.2
162.03149	1.3
163.00414	4.9
163.04034	2.1
164.01144	3.2
165.01921	7.4
167.03490	7.6
169.01433	11.3
171.04506	0.7
173.06146	1.1
175.00407	2.7
175.04004	17.5
176.01047	1.0
176.04642	0.8
177.01926	78.2
177.05359	4.1
178.02333	3.0
179.03502	6.3
183.04572	1.2
187.03993	3.9
189.01878	1.4
189.05479	0.9
191.03468	2.3
193.01382	3.5
193.04987	3.4
193.12357	2.2
197.06033	1.0
199.04022	4.4
201.01949	3.1
201.05602	2.6
203.03406	3.8
205.01440	1.3
211.04070	1.8
213.05649	1.2
214.02731	0.9
215.03464	4.1
217.05069	9.7
218.05467	1.0
219.03009	4.3
219.06665	3.8
221.04507	2.7
222.75008	0.7
225.05547	1.4
227.03525	4.0
228.04228	1.0
229.01401	2.4
229.05022	3.4
231.02916	0.9
240.14687	0.8
241.05075	1.6
243.02974	22.5
243.06709	1.4
244.03311	1.2
245.04559	2.2
247.02422	0.8
251.03600	0.8
253.04858	1.1
255.02989	18.1
256.03787	4.6
257.04584	3.2
261.04019	7.6
261.07724	1.6
267.02759	1.0
269.04517	8.7
273.04099	4.4
282.01587	1.6
283.02493	11.3
285.03964	6.3
286.04776	0.7
287.05539	9.8
288.03091	1.1
297.04031	7.7
298.04565	1.4
299.05560	1.3
300.02762	0.8
301.03564	5.7
303.05109	8.5
305.06683	24.2
313.03635	1.8
313.07309	0.7
315.05157	1.3
319.05548	1.0
327.05115	1.7
330.69379	0.7
337.07144	1.4
355.08154	1.1
356.24600	0.8
379.08301	1.1
387.04919	1.3
405.06024	8.6
417.70541	0.7
423.07208	94.9
424.07486	7.3
439.06461	1.3
441.08292	10.1
447.07538	1.1
453.08109	2.6
457.07822	6.7
458.08267	0.9
465.08249	7.9
483.09335	8.8
573.10150	1.9
575.08105	13.7
576.09003	0.9
591.11365	26.0
592.11896	2.7
593.09344	21.6
594.09540	1.6
609.12488	30.2
610.12567	2.4
635.10614	7.4
639.18420	0.9
743.12683	1.4
761.13580	77.8
762.13806	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	1089.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01396	0.4
95.65955	0.3
96.96039	0.4
99.25893	0.3
100.72847	0.3
107.01379	1.9
109.02968	0.8
123.00887	0.4
124.01653	1.2
124.86792	0.3
125.02454	4.3
135.00931	0.3
137.02469	1.4
140.01158	0.4
151.00352	5.1
151.18187	0.3
152.01176	0.4
161.02483	0.6
163.00366	1.3
164.01149	1.0
169.01434	3.9
177.01926	0.8
178.31154	0.3
178.99858	4.1
190.99844	0.7
192.00603	0.6
199.04027	0.5
202.20538	0.4
203.03578	0.8
204.04268	0.4
214.02740	3.0
215.03453	0.7
227.03535	0.4
242.02180	3.0
242.52165	0.3
243.02968	2.0
244.03430	0.4
259.02420	3.3
270.01718	3.9
271.02448	21.8
272.02792	1.0
287.01968	12.4
288.02551	1.7
289.07599	0.3
299.01868	1.9
305.06625	0.4
313.05698	1.0
315.01483	0.5
316.02222	66.1
317.02899	15.4
318.03427	0.4
324.12833	0.3
359.04337	0.3
479.08267	14.0
480.08685	0.9
631.09375	100.0
632.09692	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	1085.7501
Annotation	Unknow
Peak:m/z	Relative Intensity
82.16359	0.5
83.05003	0.9
85.02940	1.1
87.00888	0.8
89.02448	2.6
95.01379	0.7
97.02951	1.7
99.92539	0.7
101.02442	4.0
111.08163	3.3
113.02437	2.2
116.92866	3.9
125.02445	0.8
127.07632	0.8
130.97968	0.5
137.09767	0.6
151.11258	0.6
161.04517	2.0
163.11263	0.8
165.12787	0.9
169.12227	0.9
171.10197	2.0
179.05537	0.7
179.14384	0.7
181.12323	1.3
193.12326	0.6
195.13885	1.1
197.11823	18.1
198.12216	0.7
199.13284	1.3
209.11740	0.8
211.13324	4.3
221.15451	0.6
223.13443	0.8
227.12897	0.7
235.08170	5.6
247.20610	1.8
253.06618	1.0
253.09280	19.2
255.23630	0.6
263.20139	1.9
265.18225	0.6
273.18539	1.8
277.21716	100.0
278.22076	5.6
279.23285	37.9
280.23621	2.1
291.19659	37.2
292.19983	2.3
309.20712	76.3
310.21057	4.7
372.11853	0.6
433.20816	0.8
513.30573	1.2
527.28400	2.4
545.29602	3.6
569.42334	1.8
789.38269	0.6
805.51740	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
78.18910	0.3
78.95905	11.7
103.72711	0.3
104.97446	0.3
105.01912	1.7
105.66830	0.3
110.98536	6.3
112.44331	0.3
125.02452	0.8
131.14778	0.4
137.02519	0.4
152.99596	0.9
167.01143	3.4
169.01414	0.7
185.00676	0.4
185.02213	4.7
192.69693	0.3
233.22716	0.7
241.34544	0.3
256.87195	0.3
259.20438	0.5
275.20169	0.7
277.21713	100.0
278.22040	5.7
445.23581	34.9
446.24225	2.2
481.15390	0.6
555.18665	0.3
641.23108	0.5
709.38782	0.5
809.24652	0.6
919.44958	2.4
1087.46912	26.7
1088.47083	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	1071.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01907	0.8
79.05558	0.2
81.03461	0.8
83.00961	0.3
83.01382	1.5
83.05044	0.6
85.02954	1.8
95.01382	4.2
96.95953	0.5
97.02962	1.5
98.20759	0.4
99.00871	0.3
99.04520	0.8
107.01392	7.3
107.05046	0.3
108.02216	0.4
109.02950	2.5
111.00900	1.3
111.04519	0.5
113.02435	0.4
119.05016	0.8
119.06671	0.3
121.02972	0.4
122.99985	0.6
123.00888	11.6
124.01666	1.5
124.07658	0.3
125.02449	46.1
126.02802	1.1
127.00414	0.4
127.04009	4.5
135.04539	0.6
136.98787	0.8
137.02449	4.2
139.00369	2.8
140.01192	2.1
141.01933	0.9
145.02963	0.3
149.02417	0.5
151.00372	11.4
151.03999	0.3
152.00943	0.4
152.23564	0.3
153.01967	0.5
159.04510	0.4
161.02432	0.7
161.06026	0.3
162.03236	0.6
163.00362	1.1
163.04002	2.2
164.01204	0.5
165.01860	0.7
166.99855	5.2
167.03558	0.4
168.00653	3.8
169.01424	60.4
170.01767	1.2
173.06065	0.4
174.03261	0.3
175.03987	0.9
177.01924	1.3
177.05551	0.3
178.99844	5.7
179.03419	0.5
179.07072	0.3
185.02542	0.2
187.03981	0.4
189.01871	0.4
189.05566	1.1
190.02718	0.3
191.03473	0.7
191.07130	0.9
192.00603	1.0
193.01366	1.3
199.04121	0.5
201.01939	0.4
203.03429	0.7
205.04961	0.6
206.02243	1.3
207.02979	6.1
207.06477	0.3
209.04527	0.3
211.02460	0.5
213.01884	0.3
214.02740	0.8
215.03343	0.4
217.04999	2.0
221.00926	0.8
227.03482	0.8
233.04462	0.5
234.59229	0.2
235.02483	0.5
235.06067	2.3
237.04068	0.3
242.02209	0.7
243.02991	1.5
259.02356	1.2
261.04114	1.4
261.06512	0.2
263.05594	0.6
270.01636	0.7
271.02472	5.1
279.05096	5.9
281.06860	1.2
287.01981	4.4
288.02637	0.4
297.06100	5.1
297.11172	0.3
298.06720	0.3
299.01804	0.4
315.01498	2.3
316.02200	8.3
317.02982	11.9
318.03165	0.5
319.04770	0.3
384.09601	0.3
415.95541	0.3
431.06927	0.3
433.07605	0.6
449.07230	3.1
463.09241	0.3
532.80170	0.3
601.08362	8.4
602.08447	0.6
615.80115	0.4
767.10901	4.2
768.11224	0.6
919.12097	100.0
920.12433	14.5
943.06201	0.3
1046.10254	0.3
1071.53357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
73.98820	0.6
81.03457	0.7
83.01389	2.6
86.94994	0.6
89.03957	0.8
93.03453	2.6
95.01380	1.2
95.05030	1.6
96.95981	0.8
97.02971	1.2
98.20697	1.0
99.24924	0.7
105.03451	2.7
107.01434	1.2
107.05036	2.9
109.02958	6.8
111.04529	1.4
114.89017	0.6
119.05058	0.9
121.02950	6.6
123.00898	2.9
123.04552	1.1
124.01691	1.3
125.02445	100.0
126.02782	2.9
131.05049	2.0
132.02150	0.9
133.02979	5.0
135.00906	1.1
135.04518	0.9
137.02434	13.9
139.04018	4.2
145.02969	1.9
147.00903	2.1
147.04530	1.1
149.02420	9.7
149.06052	1.5
151.03999	15.6
152.04314	0.8
155.05035	0.9
158.03809	0.7
159.04497	2.1
160.01567	0.7
161.02440	13.3
162.03218	1.1
163.00345	4.5
163.04013	2.7
164.01169	3.3
165.01941	8.0
166.02689	1.1
167.03525	7.5
169.01416	16.9
170.01842	0.9
173.02385	1.3
173.06070	1.3
174.03212	0.9
175.00394	4.3
175.03986	22.9
176.01154	1.4
176.04378	1.1
177.01923	88.5
177.05469	2.7
178.02306	3.9
179.03493	3.7
183.04526	1.4
185.06038	1.0
187.03999	4.0
189.01941	2.5
190.02751	1.4
191.03470	5.0
193.01404	3.0
193.04990	3.8
197.06050	1.0
198.03212	0.9
199.03979	10.1
201.01938	3.2
201.05573	2.0
203.03551	3.9
205.01384	2.4
205.04976	1.0
209.06158	0.7
211.04033	2.5
213.05545	1.5
214.02681	0.8
215.03448	4.0
217.01433	2.1
217.05017	13.5
218.05263	0.8
219.02954	8.9
219.06590	2.1
221.04501	2.0
223.04156	0.9
225.05542	1.4
227.03528	4.4
228.04240	1.3
229.01385	3.0
229.05038	3.2
231.02968	1.6
239.03410	0.9
241.04996	1.2
243.02959	44.4
243.06746	1.6
244.03296	2.1
245.04482	2.4
247.02345	0.9
251.03549	1.2
253.05072	1.8
255.02980	14.3
256.03647	2.9
257.04523	3.6
258.05038	0.7
259.06027	1.5
260.03226	0.7
261.03995	19.2
261.07040	0.6
262.04434	0.8
265.04877	0.8
267.02997	1.8
269.04547	8.4
270.04913	0.9
271.02509	1.0
273.03983	2.9
279.03052	1.0
281.04489	1.3
282.01648	1.6
283.02502	6.8
284.03049	1.2
285.03976	7.0
286.04520	1.1
287.02463	1.1
287.05496	6.1
293.04593	3.6
295.02411	2.9
295.05911	1.2
297.03958	4.9
297.06967	0.9
299.05618	1.5
301.03461	4.2
303.05075	17.8
304.05569	1.7
305.06775	13.6
311.05545	1.6
313.03461	1.5
317.04620	1.1
319.04828	2.2
323.05527	0.7
327.05023	1.1
331.04681	0.8
335.05460	1.8
337.03455	0.8
340.91467	0.8
347.05551	1.4
359.05637	0.8
361.03571	2.4
365.06509	0.9
373.03430	1.9
374.04135	2.1
375.04941	1.0
379.04419	2.5
381.06003	0.9
387.05045	1.6
389.10886	1.6
391.04465	1.4
395.07645	0.7
397.05499	1.6
403.04208	1.4
405.06097	5.0
411.07214	1.4
419.03610	0.8
421.05704	3.2
423.07169	41.0
424.07556	2.6
427.06537	1.2
429.08319	6.1
439.06686	6.5
441.08011	2.0
447.07242	2.0
457.07764	3.1
463.06702	1.4
465.08038	5.5
473.08472	1.1
481.07895	3.1
483.09317	5.2
515.09521	1.8
523.06042	1.4
541.07050	13.9
542.08185	1.9
559.08746	8.5
573.10309	2.0
575.08215	5.0
577.09857	1.5
583.08624	1.7
591.11414	8.8
592.11420	1.1
593.09137	6.4
601.09607	4.6
607.10583	5.8
609.12390	5.9
619.11340	0.8
635.10400	2.8
683.13477	1.0
693.08789	2.3
709.12000	9.7
710.11481	1.6
711.10046	5.5
712.09021	1.1
727.12885	17.8
728.13422	2.6
729.11011	1.0
743.11896	1.6
745.13879	1.2
761.13446	13.2
762.13898	2.0
769.13660	1.7
787.15723	1.3
802.67041	0.8
879.13623	7.3
880.13782	1.2
895.17310	2.4
913.15118	3.7
939.16528	1.1
959.31775	0.8
1065.18787	1.8
1065.82849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
73.98820	0.6
81.03457	0.7
83.01389	2.6
86.94994	0.6
89.03957	0.8
93.03453	2.6
95.01380	1.2
95.05030	1.6
96.95981	0.8
97.02971	1.2
98.20697	1.0
99.24924	0.7
105.03451	2.7
107.01434	1.2
107.05036	2.9
109.02958	6.8
111.04529	1.4
114.89017	0.6
119.05058	0.9
121.02950	6.6
123.00898	2.9
123.04552	1.1
124.01691	1.3
125.02445	100.0
126.02782	2.9
131.05049	2.0
132.02150	0.9
133.02979	5.0
135.00906	1.1
135.04518	0.9
137.02434	13.9
139.04018	4.2
145.02969	1.9
147.00903	2.1
147.04530	1.1
149.02420	9.7
149.06052	1.5
151.03999	15.6
152.04314	0.8
155.05035	0.9
158.03809	0.7
159.04497	2.1
160.01567	0.7
161.02440	13.3
162.03218	1.1
163.00345	4.5
163.04013	2.7
164.01169	3.3
165.01941	8.0
166.02689	1.1
167.03525	7.5
169.01416	16.9
170.01842	0.9
173.02385	1.3
173.06070	1.3
174.03212	0.9
175.00394	4.3
175.03986	22.9
176.01154	1.4
176.04378	1.1
177.01923	88.5
177.05469	2.7
178.02306	3.9
179.03493	3.7
183.04526	1.4
185.06038	1.0
187.03999	4.0
189.01941	2.5
190.02751	1.4
191.03470	5.0
193.01404	3.0
193.04990	3.8
197.06050	1.0
198.03212	0.9
199.03979	10.1
201.01938	3.2
201.05573	2.0
203.03551	3.9
205.01384	2.4
205.04976	1.0
209.06158	0.7
211.04033	2.5
213.05545	1.5
214.02681	0.8
215.03448	4.0
217.01433	2.1
217.05017	13.5
218.05263	0.8
219.02954	8.9
219.06590	2.1
221.04501	2.0
223.04156	0.9
225.05542	1.4
227.03528	4.4
228.04240	1.3
229.01385	3.0
229.05038	3.2
231.02968	1.6
239.03410	0.9
241.04996	1.2
243.02959	44.4
243.06746	1.6
244.03296	2.1
245.04482	2.4
247.02345	0.9
251.03549	1.2
253.05072	1.8
255.02980	14.3
256.03647	2.9
257.04523	3.6
258.05038	0.7
259.06027	1.5
260.03226	0.7
261.03995	19.2
261.07040	0.6
262.04434	0.8
265.04877	0.8
267.02997	1.8
269.04547	8.4
270.04913	0.9
271.02509	1.0
273.03983	2.9
279.03052	1.0
281.04489	1.3
282.01648	1.6
283.02502	6.8
284.03049	1.2
285.03976	7.0
286.04520	1.1
287.02463	1.1
287.05496	6.1
293.04593	3.6
295.02411	2.9
295.05911	1.2
297.03958	4.9
297.06967	0.9
299.05618	1.5
301.03461	4.2
303.05075	17.8
304.05569	1.7
305.06775	13.6
311.05545	1.6
313.03461	1.5
317.04620	1.1
319.04828	2.2
323.05527	0.7
327.05023	1.1
331.04681	0.8
335.05460	1.8
337.03455	0.8
340.91467	0.8
347.05551	1.4
359.05637	0.8
361.03571	2.4
365.06509	0.9
373.03430	1.9
374.04135	2.1
375.04941	1.0
379.04419	2.5
381.06003	0.9
387.05045	1.6
389.10886	1.6
391.04465	1.4
395.07645	0.7
397.05499	1.6
403.04208	1.4
405.06097	5.0
411.07214	1.4
419.03610	0.8
421.05704	3.2
423.07169	41.0
424.07556	2.6
427.06537	1.2
429.08319	6.1
439.06686	6.5
441.08011	2.0
447.07242	2.0
457.07764	3.1
463.06702	1.4
465.08038	5.5
473.08472	1.1
481.07895	3.1
483.09317	5.2
515.09521	1.8
523.06042	1.4
541.07050	13.9
542.08185	1.9
559.08746	8.5
573.10309	2.0
575.08215	5.0
577.09857	1.5
583.08624	1.7
591.11414	8.8
592.11420	1.1
593.09137	6.4
601.09607	4.6
607.10583	5.8
609.12390	5.9
619.11340	0.8
635.10400	2.8
683.13477	1.0
693.08789	2.3
709.12000	9.7
710.11481	1.6
711.10046	5.5
712.09021	1.1
727.12885	17.8
728.13422	2.6
729.11011	1.0
743.11896	1.6
745.13879	1.2
761.13446	13.2
762.13898	2.0
769.13660	1.7
787.15723	1.3
802.67041	0.8
879.13623	7.3
880.13782	1.2
895.17310	2.4
913.15118	3.7
939.16528	1.1
959.31775	0.8
1065.18787	1.8
1065.82849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03450	0.9
83.01389	1.8
83.58278	0.6
89.03973	1.0
91.01882	0.7
93.03466	2.4
95.01390	2.0
95.05038	1.4
95.88244	0.5
96.96033	0.9
97.02975	1.2
105.03458	2.6
107.01405	0.8
107.05020	2.4
109.02946	6.6
111.04521	0.8
113.28541	0.6
117.03433	0.7
121.02974	5.3
123.00893	2.9
123.04492	1.0
124.01697	2.1
125.02448	100.0
126.02778	3.0
129.28920	0.7
130.04239	0.8
131.05038	2.4
132.02153	0.8
133.02965	5.4
135.04521	0.7
137.02444	15.8
139.04004	6.0
143.05032	0.9
145.02951	0.9
147.00859	2.3
147.04507	0.9
149.02428	8.9
149.06113	1.6
150.02853	0.6
151.03999	13.5
157.06567	0.9
159.04517	2.5
161.02449	12.0
163.00366	5.2
163.03958	3.0
164.01112	3.2
165.01945	6.5
166.02676	1.3
167.03494	7.7
168.99977	1.3
169.01419	22.4
170.01781	2.4
171.04422	0.9
173.02463	0.6
173.06081	1.8
175.00401	3.9
175.03999	21.1
176.01157	2.6
176.04443	0.8
177.01926	84.9
178.02299	3.1
179.03494	4.3
183.04546	1.5
185.06139	0.8
187.04007	2.6
189.01930	2.7
189.05525	1.1
190.02689	1.3
191.03447	6.0
193.01416	3.3
193.05058	2.4
199.03992	8.9
201.01910	3.6
201.05600	2.3
202.99832	0.8
203.03468	3.7
205.01366	2.3
205.04933	1.0
211.04015	3.0
213.05547	1.7
214.02715	0.9
215.03508	3.4
217.01453	1.9
217.05038	11.7
219.02971	9.5
219.06555	2.0
221.04468	1.2
225.05573	1.4
227.03535	3.9
228.04156	1.4
229.01517	3.0
229.05099	2.7
231.02864	1.6
231.06439	0.8
233.04297	1.3
239.03563	1.0
241.05049	2.3
243.02979	38.7
244.03304	2.6
245.00989	1.3
245.04449	2.7
247.02394	1.0
249.05507	1.1
251.03506	1.0
253.05133	1.8
255.02969	15.7
256.03662	3.8
257.04449	3.2
259.02505	1.1
259.06128	1.3
261.03989	18.0
262.04312	1.3
267.02969	2.3
267.06363	0.9
269.04535	8.4
270.05075	0.7
273.04019	3.5
280.03687	0.9
281.04480	1.5
282.01678	2.1
283.02484	8.5
284.03351	0.7
285.04034	8.0
287.05585	6.5
291.06686	0.8
293.04684	3.5
295.02411	2.1
295.05740	1.0
297.03973	4.7
300.02618	1.2
301.03482	4.3
302.03772	0.7
303.05045	18.9
304.05475	1.0
305.06738	15.0
306.06888	1.1
311.05667	1.5
313.03546	2.1
315.05164	1.0
319.04889	1.8
323.05701	0.9
327.05103	0.9
335.05734	1.9
339.05130	0.8
347.05716	1.4
355.08490	0.9
357.05939	0.9
361.03506	2.8
373.03427	1.2
374.04062	1.9
375.05228	0.9
379.04214	1.5
379.08414	1.7
387.05176	1.2
391.04694	1.8
398.05444	0.8
403.04639	1.0
405.06113	5.5
411.07150	0.8
417.05838	0.8
419.04062	1.6
421.05655	2.4
423.07187	40.8
424.07422	3.8
427.06769	1.2
429.08206	4.2
439.06635	4.4
441.08276	2.8
455.07959	0.8
457.07742	4.3
465.08264	6.4
466.09143	1.1
479.06232	0.9
481.07669	3.7
483.09348	5.5
515.09448	1.3
523.06769	1.2
541.07635	14.4
542.08356	2.0
547.08685	0.7
559.08698	7.5
560.08783	1.3
564.56909	0.7
565.09406	1.0
571.08582	1.0
573.10242	1.5
575.08453	4.2
576.09320	0.8
583.08777	1.9
591.11487	10.6
592.11945	1.3
593.09515	6.4
601.09875	5.0
607.10803	4.6
607.20178	1.5
608.51117	0.8
609.12634	5.7
617.09167	1.1
635.10242	3.9
691.11414	1.3
693.08417	1.8
709.11841	9.4
710.12476	1.4
711.10138	5.1
727.12909	15.8
728.13245	2.4
729.10834	1.2
743.12524	2.2
745.14520	1.4
751.13684	0.7
753.10779	1.2
761.13477	19.4
762.13544	2.7
769.14240	2.0
771.11353	1.0
787.14874	1.7
844.88220	0.7
879.13806	7.3
880.14471	1.5
895.16718	1.8
895.46350	0.8
897.14996	0.9
913.16083	4.2
914.15302	0.8
939.15540	1.1
1065.19592	2.1
1099.21606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03436	1.2
83.01378	3.1
87.66353	0.9
88.90533	0.8
89.03969	1.2
93.03452	3.8
95.01376	2.3
95.05002	1.2
105.03461	3.1
107.05024	3.2
109.02964	9.0
111.04559	0.9
117.03439	1.5
121.02940	6.2
123.00865	2.6
123.04485	1.1
124.01692	2.0
125.02453	100.0
126.02763	1.8
131.05028	3.3
132.02103	1.3
133.02962	5.8
135.00848	1.2
135.04553	1.1
137.02454	15.1
138.03215	1.2
139.03981	4.2
145.02869	1.5
145.06674	1.1
147.00888	1.8
147.04486	1.6
149.02435	11.4
150.03143	1.3
151.04015	16.2
159.04503	2.6
161.02458	13.4
163.00406	5.4
163.03995	3.1
164.01089	5.0
165.01932	9.6
166.02626	1.2
167.03462	7.5
169.01433	5.2
169.02617	1.0
173.02411	0.9
173.06056	2.7
174.03224	1.3
175.00354	4.0
175.03996	27.8
176.01083	2.9
176.04280	1.7
177.01933	96.7
177.05449	3.9
178.02301	3.6
179.03453	3.9
183.04460	1.8
187.03969	4.2
189.01906	4.1
190.02681	1.3
191.03526	7.3
193.01352	2.7
193.05006	3.9
199.03990	11.2
201.01891	3.3
201.05504	3.0
203.03561	5.2
205.01427	2.2
205.05014	1.2
211.03961	2.3
213.05618	2.4
214.02625	1.4
215.03459	4.1
217.01436	2.0
217.05069	13.8
219.02986	11.9
219.06577	3.7
221.04590	2.3
225.05559	2.6
227.03499	4.6
228.04189	1.7
229.01344	2.1
229.04993	2.7
231.02887	1.6
233.04517	2.3
236.68796	0.9
241.04968	2.3
243.02969	50.6
243.06595	2.0
244.03375	1.3
245.00890	1.3
245.04517	2.8
247.02422	1.9
251.03481	1.7
253.04936	1.6
255.02988	14.6
256.03635	4.0
257.04593	4.5
259.02402	1.0
259.05960	1.4
261.04019	23.2
262.04565	1.2
265.04941	1.2
267.03058	1.4
269.01651	1.2
269.04532	8.3
273.03998	2.4
277.04898	1.1
279.02881	1.0
281.04517	1.9
282.01688	1.5
283.02475	8.0
285.04028	7.1
287.05637	5.8
288.02548	1.1
293.04486	3.7
295.02551	4.4
297.03952	4.2
299.05695	1.8
301.03391	4.4
303.05090	17.8
304.05276	1.3
305.06689	13.7
309.04248	1.7
311.05460	1.9
313.03516	1.4
313.07004	1.5
315.05157	1.7
335.05627	2.1
339.04889	1.1
357.06097	1.7
361.03360	2.0
373.03656	1.7
374.04123	2.0
387.04794	1.1
391.04837	1.1
403.04150	1.5
405.06067	4.1
411.07129	1.4
419.04025	2.1
421.05569	3.7
423.07230	35.5
424.07547	3.4
429.08295	6.4
439.06622	6.1
441.08014	2.7
457.07654	3.1
465.08441	6.4
481.07489	2.8
483.09363	6.1
515.09869	1.2
541.07916	15.2
559.08752	7.0
565.09583	1.6
573.10541	1.6
575.07990	4.7
577.09711	1.3
583.09259	1.1
591.11359	7.9
593.09509	5.3
601.09869	6.2
605.09467	1.3
607.11023	5.7
609.12207	6.0
611.15497	1.0
635.10510	4.7
636.75928	1.1
691.09851	1.5
693.09161	2.8
709.11908	10.2
710.12634	1.4
711.09644	6.3
727.13055	19.8
728.13538	2.0
745.13409	1.4
761.13568	13.0
762.13177	1.8
769.13605	1.8
771.10980	1.7
787.14801	1.6
803.14166	1.5
879.14337	11.9
880.14056	1.8
895.17090	3.6
897.14850	1.9
913.17743	2.2
939.16418	3.1
999.37891	1.1
1065.19641	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	1065.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03465	1.5
83.01381	3.5
83.05051	0.6
90.53143	0.6
93.03460	3.1
95.01376	0.8
95.05048	0.8
97.02975	0.9
105.03471	2.0
107.05000	3.1
108.02183	0.7
109.02947	8.4
111.04504	0.9
119.05046	1.1
121.02967	6.9
123.00877	2.8
123.04527	1.1
124.01662	1.7
125.02444	96.7
126.02799	2.4
131.05063	2.3
132.02179	0.7
133.02971	4.2
135.00864	0.8
135.04503	0.8
137.02440	17.6
138.03249	0.8
139.04008	5.9
145.02922	1.0
147.00874	1.6
147.04552	1.7
149.02434	10.2
149.06076	1.5
151.04001	14.1
152.04370	0.9
155.05008	0.7
157.06543	0.8
159.04533	1.8
161.02446	11.7
161.06082	0.9
163.00404	5.2
163.04039	3.5
164.01202	5.9
165.01917	9.2
167.03517	7.9
169.01436	4.3
171.04474	1.2
173.02380	1.1
173.06075	1.9
174.03200	1.7
175.00412	3.7
175.03999	25.0
176.01167	2.6
176.04350	0.9
177.01921	100.0
177.05450	2.3
178.02336	3.0
179.03490	4.7
183.04465	1.0
187.04037	3.1
189.01945	5.0
189.05562	1.0
190.02618	1.8
191.03476	6.5
193.01390	1.6
193.05075	3.0
197.06184	1.3
199.03996	11.5
200.04564	0.8
201.01970	3.5
201.05627	1.9
202.99568	0.7
203.03461	4.1
205.01477	1.4
205.05072	1.5
207.02861	0.7
211.04036	2.5
213.02078	0.8
213.05571	2.2
214.02669	1.5
215.03520	4.0
217.01433	2.4
217.05028	15.4
218.05479	1.0
219.02995	10.9
219.06656	2.7
220.03355	1.0
221.04512	2.3
223.03998	0.9
225.05521	1.9
227.03465	4.0
228.04185	1.0
228.80394	0.8
229.01358	1.9
229.04999	3.4
231.03000	2.5
231.06474	0.8
233.04510	1.8
237.05547	0.8
239.03462	1.0
241.05060	2.6
242.02153	0.7
243.02966	51.0
244.03374	2.9
245.00752	0.9
245.04530	2.0
247.02530	1.5
251.03528	1.2
253.04990	1.1
253.90889	0.8
255.02998	13.7
256.03702	2.9
257.04477	3.3
259.02319	1.3
259.06088	1.9
261.04010	24.9
262.04459	1.3
267.02954	2.5
267.06827	0.7
269.04520	9.1
273.03992	1.8
281.04611	1.1
282.01733	1.2
283.02487	7.8
284.03079	0.8
285.04077	6.7
287.02475	1.3
287.05481	6.6
288.02560	1.2
293.04614	3.9
295.02533	3.8
295.05627	0.8
297.04071	4.2
298.04547	1.2
299.05591	1.1
301.03412	4.1
303.05078	22.4
304.05539	1.0
305.06766	18.7
306.06879	1.2
307.06113	0.7
309.03986	1.0
311.05414	1.5
313.03525	2.0
313.07153	1.3
315.05212	1.9
317.04626	0.7
321.03976	1.4
327.05136	0.9
335.05521	2.1
339.05173	1.1
347.05649	1.0
349.06979	0.8
355.08340	0.8
357.06122	1.0
361.03485	2.2
365.06769	0.9
373.03488	2.8
374.04150	1.8
375.05185	1.0
379.04398	1.4
379.08841	1.0
381.06000	1.0
387.05026	1.1
391.04507	2.8
403.04495	1.3
405.06110	3.9
411.07184	2.1
415.04922	0.8
419.04117	1.3
421.05420	4.8
423.07190	35.5
424.07544	2.7
427.06625	1.1
429.08237	6.7
439.06699	5.4
441.08414	4.1
451.06534	1.0
453.08078	0.9
457.07690	2.4
463.06860	0.9
465.08304	6.4
469.07480	0.7
481.07736	4.1
483.09290	7.5
484.09079	0.8
515.09583	0.9
523.06982	1.2
541.07800	12.4
542.08545	1.5
559.08826	8.8
560.09100	1.2
565.10364	0.9
571.08722	1.0
575.08472	3.1
577.09515	2.3
583.08118	1.1
589.09857	1.3
591.11658	5.2
593.09363	4.1
601.09857	4.8
605.09998	0.7
607.10901	6.0
608.10547	1.2
609.12360	8.5
610.12622	1.0
619.10919	1.3
635.10205	3.0
691.10449	1.6
693.08893	2.2
709.11932	9.5
710.12610	1.6
711.09772	4.6
727.13025	20.5
728.13501	2.1
743.13129	0.9
745.14014	4.0
761.13629	7.3
762.14337	1.3
769.13660	1.8
771.11432	0.8
787.15063	2.3
847.84503	0.7
879.14215	7.2
895.17639	2.8
897.14825	1.4
913.18103	5.9
939.17255	1.5
1026.07007	0.9
1065.20093	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
85.66511	17.3
96.96024	34.8
125.02422	100.0
156.00841	22.5
164.55318	20.6
168.40225	22.3
169.01414	62.2
211.13345	24.8
250.92645	22.6
410.41891	23.6
593.77686	25.0
700.07990	21.2
944.48596	26.2
999.57208	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
85.66511	17.3
96.96024	34.8
125.02422	100.0
156.00841	22.5
164.55318	20.6
168.40225	22.3
169.01414	62.2
211.13345	24.8
250.92645	22.6
410.41891	23.6
593.77686	25.0
700.07990	21.2
944.48596	26.2
999.57208	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95911	67.2
84.24214	52.9
121.02976	56.6
125.02460	100.0
169.01448	90.9
173.52516	65.8
177.01988	66.7
211.58617	53.9
491.24777	58.5
539.27405	51.3
636.42877	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5493
Annotation	Unknow
Peak:m/z	Relative Intensity
74.42950	60.4
76.15395	67.4
80.92451	68.2
86.68009	74.6
94.28077	70.7
98.89907	77.6
118.58528	72.4
130.07092	95.7
146.80734	78.9
169.01372	98.0
291.19724	80.8
312.27075	69.9
433.60556	77.5
813.66034	86.6
894.36902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
96.36410	55.1
107.33839	55.2
123.57236	55.6
138.00912	68.1
169.01355	74.0
321.44196	59.9
341.23343	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	1059.5745
Annotation	Unknow
Peak:m/z	Relative Intensity
78.64275	3.9
81.73670	4.9
84.32375	4.1
87.00890	7.4
89.02463	11.4
95.01453	4.7
101.02477	9.3
111.08157	5.9
120.28952	4.5
125.02443	40.0
130.91144	4.9
137.02446	7.1
169.01399	24.9
175.02475	13.4
177.01945	13.0
197.11819	38.7
291.19684	14.4
309.20731	100.0
310.21198	8.8
397.13535	15.3
415.14554	13.3
707.35089	11.7
708.35468	5.2
1022.23926	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	1059.7354
Annotation	Unknow
Peak:m/z	Relative Intensity
79.66231	0.7
80.39574	0.6
82.58597	0.7
85.02959	0.7
89.02448	2.6
101.02426	3.5
111.08158	5.1
113.02474	2.0
138.45341	0.7
145.05081	1.5
161.04541	2.0
169.12317	3.3
179.05626	0.7
197.11823	36.5
198.12166	1.5
199.13354	1.6
211.13359	5.1
235.08231	8.2
253.09302	20.2
253.21712	14.5
254.09811	0.9
259.20859	0.9
263.20108	2.8
273.18512	1.4
277.21722	100.0
278.22089	5.1
291.19678	24.5
292.19910	0.9
309.20709	60.1
310.21063	2.7
415.19702	1.0
415.80191	0.8
433.20526	0.9
444.79562	0.8
509.26843	0.8
513.30701	1.2
527.28424	2.2
545.29877	3.0
591.13739	0.9
840.40198	1.0
1057.84314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.533
Annotation	Unknow
Peak:m/z	Relative Intensity
80.42891	19.7
89.38645	14.9
96.21835	16.2
96.60966	16.3
98.20757	30.2
112.35004	16.6
125.02470	100.0
149.02560	17.4
159.08978	16.7
163.47209	14.3
169.01453	47.4
177.01915	30.3
229.79480	20.7
245.72417	15.2
273.27765	15.5
287.16492	14.3
293.21347	27.6
310.20776	19.9
1094.30066	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	1059.225
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95733	0.2
83.01406	0.2
96.96008	0.9
107.01397	0.8
109.02961	0.4
124.01675	1.6
125.02444	1.8
135.00923	0.4
136.01672	0.3
137.02409	0.4
148.01721	0.3
151.00363	3.5
152.01155	0.6
161.02518	0.4
163.00398	0.8
164.01093	1.3
169.01463	1.7
170.01682	0.2
177.01889	0.3
178.99861	4.7
199.04016	0.3
203.03452	0.7
204.04248	0.3
214.02702	5.5
215.03439	0.7
216.04097	0.2
227.03464	0.4
230.02289	0.3
231.02994	0.4
232.03648	0.3
242.02197	4.4
243.02911	2.6
244.03609	0.3
259.02457	4.9
260.03073	0.5
270.01682	5.5
271.02454	32.0
272.02881	1.6
287.01971	20.1
288.02509	2.1
315.01547	1.3
316.02216	91.6
317.02722	8.5
319.04590	0.2
439.10449	0.6
457.08102	0.4
463.08807	5.4
464.09351	0.3
595.13019	100.0
596.13361	10.3
596.22986	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	1055.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
79.42904	0.2
79.95735	12.3
80.96516	0.3
95.95229	2.4
96.96009	89.9
107.01381	0.9
109.02950	0.7
110.97578	11.2
121.02955	0.4
122.97588	0.5
124.60388	0.1
125.02419	0.7
135.04488	0.2
137.02441	1.5
147.04521	0.2
151.00371	2.7
151.71173	0.1
159.04478	0.2
163.00356	0.2
169.01381	0.5
177.05577	0.2
178.99838	2.1
179.07130	0.3
180.07938	0.4
188.12654	0.2
192.00620	0.3
193.01347	0.2
208.07312	0.2
216.03876	0.2
223.09827	0.7
240.04158	0.2
242.02156	0.3
243.02951	0.3
253.08636	0.2
255.06325	0.2
259.02692	0.4
260.03616	1.3
261.04404	0.2
269.08154	2.9
271.02472	0.8
273.04306	0.6
281.08200	0.5
283.09821	0.6
286.08145	0.2
287.01920	0.3
295.09610	0.3
296.10529	0.2
297.11530	0.2
298.08530	0.2
299.09235	2.7
300.10123	0.3
301.10663	0.3
310.12082	0.2
311.09308	1.3
313.10846	0.3
314.11581	6.8
315.12241	1.0
316.02155	1.5
317.02994	7.7
318.03366	0.2
325.10794	0.2
326.11597	2.0
327.12152	0.3
329.13910	4.1
330.14307	0.4
341.13828	1.3
376.06085	0.2
379.04803	0.3
390.07715	0.1
393.06485	0.3
394.07220	4.4
395.07861	0.5
406.07166	0.5
406.28394	0.2
407.08267	0.2
408.08615	0.2
409.09610	14.4
410.09985	1.0
421.09592	2.9
424.08307	0.3
439.10654	100.0
440.10983	6.1
615.09888	10.1
616.10480	1.0
796.79144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
77.68563	0.6
79.01862	0.7
81.03436	1.4
81.43393	0.5
83.01383	1.1
85.02940	2.6
87.00871	0.6
93.03423	0.7
93.35612	0.5
95.01387	6.0
96.95984	1.5
97.02931	1.5
98.20641	0.8
99.04531	0.7
107.01391	7.1
109.02944	2.3
111.00870	2.5
111.04502	0.6
113.02402	0.6
119.05016	0.9
121.02937	1.4
123.00874	13.8
124.01601	1.4
125.02441	60.1
126.02798	1.2
127.03998	6.4
135.04486	1.3
136.98781	0.9
137.02475	1.4
139.00368	3.4
139.03992	0.6
140.01140	2.4
141.01955	1.4
141.87436	0.5
147.04597	0.7
149.02414	0.8
151.00360	8.5
151.03987	0.9
153.01866	0.7
159.97342	0.5
161.02339	0.8
162.03142	1.1
163.00383	1.2
163.04025	3.0
166.99834	6.6
167.03415	1.5
168.00652	4.5
169.01411	73.9
170.01717	1.5
175.03976	0.9
177.01926	2.5
178.99913	1.3
179.03339	0.6
189.01915	1.0
189.05579	1.8
191.03575	1.2
193.01419	1.8
206.02246	1.4
207.02988	7.6
217.05037	2.6
221.00873	1.0
233.04469	1.0
235.06050	3.7
243.02921	1.4
255.02980	2.5
261.04117	1.3
262.96313	0.6
271.02448	4.1
273.13306	0.6
279.05063	6.9
281.06693	0.8
283.02457	0.7
297.06183	5.7
299.01822	1.2
300.02676	3.8
301.03506	6.5
318.36618	0.6
406.91687	0.7
433.07678	0.9
449.07190	3.5
601.08301	17.4
602.09204	1.5
751.11298	3.6
761.85510	0.7
903.12543	100.0
904.12909	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	1048.5695
Annotation	Unknow
Peak:m/z	Relative Intensity
91.60381	26.6
93.22401	25.6
110.68169	32.0
116.92864	32.9
121.02985	28.4
125.02409	100.0
133.27686	30.8
137.02423	68.7
165.01932	36.4
209.11560	32.0
303.04990	71.4
304.05475	67.6
488.80795	29.0
997.22137	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
74.58443	0.7
81.03445	1.4
83.01387	3.0
89.03970	1.1
91.01880	1.0
93.03457	3.4
95.01379	1.5
95.05045	1.0
97.02940	2.0
105.03416	2.2
107.05007	3.0
109.02940	10.2
117.03428	1.6
121.02950	8.3
123.00843	2.0
123.04497	5.9
125.02446	88.9
126.02775	1.7
131.04993	2.8
133.02960	4.8
135.04491	3.6
137.02434	14.9
139.04016	1.9
143.04996	1.3
145.02942	3.8
147.00851	1.9
147.04482	1.6
149.02461	11.7
149.17430	0.8
151.00372	0.9
151.04002	15.7
155.05040	1.6
158.03740	0.9
159.04494	4.1
161.02394	4.2
161.06073	3.4
163.00356	4.4
163.03964	3.3
164.01183	4.1
165.01949	7.5
167.03510	3.6
169.01427	8.2
173.02322	0.9
174.03140	1.3
175.00291	1.9
175.03995	24.6
176.01103	2.6
177.01927	100.0
178.02306	3.9
179.03499	1.9
183.04451	1.7
185.06032	2.2
187.04031	5.5
188.04678	1.2
189.01938	2.8
189.05511	1.2
190.02701	1.3
191.03491	6.9
193.01337	3.0
193.05035	2.7
199.04008	13.2
201.01877	1.5
201.05446	1.9
203.03496	1.5
203.07104	3.9
205.01480	1.5
205.05023	3.7
211.03973	2.2
213.01859	1.1
213.05568	1.6
214.02777	1.4
215.03429	2.7
217.01381	2.8
217.05028	10.6
219.02979	10.5
220.03548	1.0
225.05582	2.4
227.03444	3.6
227.07007	1.1
228.04210	1.3
229.01431	1.0
229.05013	3.7
231.02934	2.6
231.06544	1.1
233.04439	1.1
237.05536	1.4
241.05035	1.8
243.02969	52.7
244.03371	2.0
245.00851	1.1
245.04495	1.4
245.08084	7.0
251.03458	1.0
253.04994	2.0
255.02991	14.6
256.03647	3.8
257.04507	4.0
259.06046	3.0
261.03995	23.1
267.02963	2.0
269.04590	4.4
271.02780	0.9
271.06107	5.7
273.03998	2.0
273.07724	1.0
281.04590	3.4
282.01654	1.7
283.02426	3.6
285.03900	5.6
289.07190	28.2
290.07645	1.7
293.04578	3.2
295.02441	2.3
297.04089	2.1
301.03534	2.6
303.05072	27.2
304.05319	1.3
305.04114	1.4
305.07306	1.0
310.04889	1.0
311.05667	2.2
313.03452	1.3
315.05212	1.7
321.07755	0.9
323.05487	0.9
327.05072	0.9
339.08752	1.6
341.06699	1.4
347.05438	1.5
349.07004	1.0
361.03522	1.9
373.03476	1.7
374.04346	1.5
377.06607	1.0
379.04379	1.1
383.07724	1.5
389.06342	4.3
391.04431	1.4
393.05991	0.9
395.07623	0.9
397.05573	1.1
407.07697	44.2
408.08011	2.9
411.07242	2.2
419.03748	0.9
421.05566	5.6
423.07156	1.2
429.08255	5.9
439.06729	5.1
441.08163	7.7
449.08627	6.0
457.08603	1.3
463.06427	1.0
467.09607	9.7
481.07788	3.9
499.09918	1.5
507.07156	1.3
525.08154	11.8
543.09320	2.9
559.08722	10.4
560.08600	1.1
575.11755	1.9
577.09906	8.0
585.10358	2.7
593.13367	4.7
594.13025	1.2
601.09845	1.1
607.10773	3.7
619.10913	10.6
677.09375	7.0
693.12378	3.3
695.10187	8.6
696.10193	1.2
711.13416	9.0
712.13062	1.3
713.11304	2.4
727.13361	1.4
729.13623	1.4
745.14160	20.4
746.14429	3.4
755.12732	1.8
771.15253	1.2
787.14703	2.4
845.12671	1.0
863.14618	21.3
864.15186	3.0
881.15436	3.6
897.18463	1.6
923.16510	4.2
1049.19702	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	1047.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
77.37600	0.1
83.01387	1.2
85.02939	0.2
85.99030	0.1
87.00898	0.2
91.01899	0.2
93.03448	1.2
95.01407	0.5
97.02979	0.2
101.02438	0.2
107.01388	3.3
109.02936	0.5
111.00849	0.3
113.02409	0.2
116.91087	0.1
117.03439	0.5
119.01408	0.3
121.02947	0.2
123.00886	1.2
124.01643	0.2
125.02445	2.1
130.04276	0.2
131.05006	0.2
135.00893	0.7
137.02458	0.2
139.00359	0.6
140.01128	0.4
140.69870	0.1
141.07079	0.2
143.04977	0.9
145.02960	0.4
151.00369	7.7
152.00801	0.1
153.01944	0.3
154.04243	0.3
155.05016	0.3
156.05807	0.2
157.06531	0.5
159.04512	0.9
161.06096	0.2
163.00383	1.6
164.01157	0.7
165.01920	0.4
167.03468	0.3
167.05003	0.4
168.00613	0.7
169.01427	4.0
169.06563	0.7
170.01753	0.2
171.04514	0.7
173.02406	0.2
173.06093	0.3
177.01926	0.2
182.91180	0.1
182.93015	0.2
183.04416	0.4
185.06085	1.9
187.02332	0.2
187.03992	2.2
189.05513	0.8
192.00700	0.2
195.04469	0.6
196.05334	0.1
197.06100	0.7
199.03949	0.7
201.05595	0.6
211.02420	0.2
211.04042	1.3
212.04639	0.2
213.05528	2.1
214.02753	0.4
215.03542	0.3
224.04967	0.2
227.03494	1.6
229.05037	8.1
230.05396	0.4
239.03423	0.9
240.04224	0.4
241.05022	1.4
243.02977	0.5
255.02994	0.9
256.03751	0.5
257.04541	6.2
258.04907	0.4
267.02924	0.8
271.02499	0.6
284.03326	0.5
285.04034	100.0
286.04373	5.1
296.11929	0.2
300.02826	0.9
301.03558	0.7
313.05643	14.3
314.05939	0.6
447.09177	1.3
512.25708	0.2
599.10406	13.3
600.10254	1.3
798.33850	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	1046.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
79.17644	25.6
84.04308	23.1
109.56802	26.1
117.63892	25.7
121.02979	26.5
125.02448	100.0
126.73471	27.1
137.02457	34.5
169.01424	62.5
177.01950	39.7
177.85837	23.1
219.90265	21.8
240.33076	24.6
294.21317	30.5
307.00552	25.8
504.26279	27.7
695.84448	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
140.71518	45.5
219.51830	46.0
299.56451	48.9
335.08255	43.3
847.95123	56.3
937.95471	56.5
1047.52466	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	1046.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
72.66629	34.0
109.15016	38.5
116.92878	100.0
121.73725	36.5
237.91188	38.9
291.19556	40.7
357.31000	33.9
421.38196	35.2
783.57397	42.5
827.76166	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	1045.5948
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95894	9.6
85.02955	7.6
89.02420	9.3
93.17489	5.5
95.01391	7.2
96.96046	6.7
97.02908	7.0
100.82520	6.3
101.02454	15.2
113.02457	10.3
121.02948	8.2
125.02435	26.0
130.91522	6.0
147.67409	5.7
169.01387	13.1
171.10336	29.7
179.05652	6.3
209.04475	10.1
211.13364	8.3
229.14355	8.0
229.43471	6.9
268.22980	6.2
273.13751	6.9
277.21667	23.6
278.21902	5.8
309.20761	22.8
327.21783	100.0
397.13623	28.9
415.14600	16.8
561.34003	7.2
707.34918	12.6
725.35553	10.1
1045.50305	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
72.42436	25.3
81.01520	26.8
88.35973	31.8
114.80499	26.1
121.02901	29.7
125.02440	100.0
137.02444	44.8
145.27913	24.8
169.01442	33.5
177.01965	43.2
209.04501	43.0
219.14069	27.0
285.04025	32.1
382.24637	26.5
516.40723	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01400	3.4
85.02943	4.7
87.00890	4.3
89.02482	8.4
101.02449	9.3
109.02979	4.0
112.11100	3.3
116.92838	5.5
121.02982	3.2
125.02451	43.0
137.02429	3.9
149.02365	4.1
154.61459	3.2
155.97528	3.3
161.02493	6.1
162.91069	3.5
167.03561	8.6
169.01424	24.6
171.10289	14.5
174.40363	3.3
177.01926	14.7
211.13370	4.9
229.14421	5.3
235.08344	3.4
243.02879	3.8
252.35304	3.1
261.04010	6.0
293.21249	57.4
305.06665	5.9
309.20831	5.8
327.21790	100.0
392.07904	4.2
397.13498	39.0
415.14743	24.7
480.40186	3.8
534.38580	3.9
603.43011	4.9
691.35632	14.7
707.34564	22.9
725.35931	10.9
1001.56537	25.1
1037.54529	46.4
1038.55115	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	1041.5633
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02939	3.0
87.00843	2.9
89.02435	7.6
97.02940	3.4
101.02450	11.1
109.06528	1.8
113.02451	6.1
119.03455	2.7
123.04543	3.0
125.02415	7.2
125.09704	2.2
137.02409	2.3
143.03357	1.9
144.69586	1.8
169.01346	3.3
185.11722	2.7
191.14407	4.5
192.12346	2.2
195.13884	6.2
209.11845	7.0
223.13443	4.4
235.08331	3.2
245.19040	4.8
275.20065	5.0
289.18073	28.0
293.21231	100.0
294.21570	6.6
307.19153	31.8
308.19229	2.0
397.13602	27.7
415.14594	15.8
600.63934	2.2
687.32562	2.8
691.34918	2.5
705.33777	2.9
981.53455	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	1044.538
Annotation	Unknow
Peak:m/z	Relative Intensity
82.16349	30.5
92.63477	36.4
125.02462	100.0
137.02512	36.5
146.14636	33.3
167.03510	35.7
218.61252	38.3
262.02780	32.3
289.18146	42.2
293.21213	64.0
309.20541	37.1
327.21655	71.9
397.13260	54.7
1045.49866	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1044.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
176.88095	80.8
277.21811	69.0
357.60559	70.0
397.13300	87.5
520.55896	80.6
864.85388	100.0
1045.50989	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1044.5391
Annotation	Unknow
Peak:m/z	Relative Intensity
77.48009	15.3
78.95882	16.4
87.00864	23.7
125.02437	100.0
131.45294	15.8
133.15800	18.9
137.02446	21.5
140.47452	15.9
167.03406	26.2
169.01384	75.2
175.02480	36.2
177.01949	39.6
259.92142	19.2
261.14810	20.2
305.06830	34.0
341.23276	57.4
397.13632	34.6
424.93646	19.7
530.91864	20.4
987.48059	23.0
1027.49036	19.9
1051.26270	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	1035.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02940	3.4
82.26950	2.1
83.62973	2.6
85.02967	3.8
87.00891	3.1
89.02440	16.4
95.01374	3.7
97.02972	2.9
99.92577	20.9
101.02438	13.0
111.08145	9.2
113.02458	4.5
116.92865	100.0
117.92857	4.1
119.03466	6.3
125.02443	8.0
130.16768	2.5
130.73531	2.7
137.65085	2.5
143.03572	3.5
149.58899	2.8
161.04539	4.0
169.12288	3.0
179.05617	8.2
195.13921	6.0
197.11784	29.0
209.11798	7.3
211.13391	2.9
223.13371	3.5
227.12836	4.1
234.93059	2.5
235.08232	5.4
263.20102	5.0
289.18011	7.5
291.19644	68.4
292.20038	5.7
293.21213	60.6
307.19196	27.9
309.20703	58.5
311.17087	4.0
397.13486	61.6
398.14041	2.7
415.14627	22.1
466.96429	2.8
607.26331	3.0
689.34302	7.8
714.00348	2.7
949.45837	9.1
1035.52771	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	1035.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
74.66428	1.8
77.57108	2.1
89.02475	4.9
101.02446	6.0
113.02489	3.0
119.03529	2.2
125.02440	3.6
152.62788	2.2
163.85541	2.3
166.22318	1.8
167.03799	1.7
171.10260	4.3
179.05609	3.2
193.12357	2.5
225.14970	3.9
227.57417	1.9
243.16098	2.1
243.89267	2.1
248.53346	2.5
259.27045	2.0
277.21768	15.8
341.23325	100.0
342.23770	5.8
397.13449	33.1
415.14505	9.9
601.45074	3.0
675.36084	6.4
721.37073	10.7
739.37421	9.1
848.38129	2.2
999.59570	6.4
1035.56738	39.1
1036.57080	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	1035.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
83.93486	1.5
85.02945	3.0
87.00895	3.6
89.02440	15.0
101.02440	11.5
105.01959	1.6
111.08166	5.2
113.02455	5.8
119.03518	5.8
125.02409	4.4
143.03563	2.4
149.20898	1.5
161.04572	2.4
169.01381	2.1
179.05598	5.9
195.13904	4.5
197.11940	1.5
209.11801	3.0
221.06677	3.1
223.13403	4.2
235.08224	4.6
253.06923	1.6
253.09477	1.7
267.63101	1.5
277.21744	1.9
289.18063	4.7
291.19659	100.0
292.19962	5.6
293.21271	9.9
305.17596	2.7
307.19177	5.8
397.13486	21.5
415.14609	9.0
677.02417	1.6
949.45862	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	1035.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02455	5.8
92.37486	1.3
99.92555	1.7
101.02423	3.8
111.08171	3.2
113.02444	3.3
116.92826	2.0
119.03490	2.3
121.02955	2.5
123.00774	1.3
125.02462	12.9
130.28461	1.4
137.02382	2.1
167.03464	3.0
167.79555	1.2
169.01418	7.0
177.01886	3.5
179.05595	3.7
197.11821	17.2
211.13319	3.4
227.12970	1.7
233.68198	1.4
235.08183	2.9
243.03069	1.9
247.20546	1.5
288.66031	1.5
291.19638	19.8
292.19888	1.9
293.20999	2.4
306.17319	1.5
309.20700	100.0
310.21011	6.2
343.09229	1.6
397.13431	16.4
415.14523	15.8
506.05869	1.4
601.41595	2.1
689.34393	9.5
690.35260	1.7
707.35059	11.9
734.37164	1.7
999.56079	12.0
1000.55292	2.1
1005.95148	1.8
1035.31836	2.8
1035.52917	35.8
1036.52917	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	1031.5822
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02937	2.0
81.03442	1.4
83.01379	1.1
83.05025	1.5
84.02154	2.0
85.02944	2.7
87.00880	2.2
88.98773	0.8
89.02437	9.2
95.01379	0.8
96.95971	2.2
97.02956	3.0
97.06574	4.5
99.00878	0.9
99.92558	1.1
101.02444	7.2
101.24041	0.7
104.77511	0.6
111.08143	3.9
113.02429	4.9
116.92869	5.8
119.03496	2.9
125.02442	9.8
125.09733	1.8
136.86078	0.8
137.02446	1.0
137.09749	0.8
140.29274	0.7
143.03500	1.5
151.11299	0.8
153.12848	0.8
161.04556	1.5
163.11284	1.1
165.12840	2.4
167.03497	1.3
169.01447	4.1
169.12312	1.7
171.10274	12.9
175.11288	0.7
177.01939	1.7
179.05617	4.1
181.12317	1.0
183.13914	1.2
193.12337	8.3
197.09996	1.0
197.11835	21.2
198.12125	0.8
199.13425	1.7
201.11414	1.2
209.11882	1.9
211.13387	5.9
221.06592	1.2
225.14948	12.3
226.15195	0.7
227.12892	1.4
235.08234	2.8
238.73262	0.7
243.15991	4.9
253.09341	0.7
253.14539	0.9
263.20120	1.2
265.18027	0.7
273.18732	1.2
289.17993	1.1
291.19672	13.2
292.19940	0.7
307.19153	0.9
309.20712	48.3
310.21039	3.7
323.10278	1.0
323.22165	1.6
327.21735	1.9
341.23315	100.0
342.23624	6.2
379.12411	1.0
397.13504	24.1
398.13712	1.6
415.14600	17.6
416.14963	0.9
633.43781	6.0
689.33716	2.3
707.35132	3.6
721.36664	2.4
739.37689	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	1035.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02455	5.8
92.37486	1.3
99.92555	1.7
101.02423	3.8
111.08171	3.2
113.02444	3.3
116.92826	2.0
119.03490	2.3
121.02955	2.5
123.00774	1.3
125.02462	12.9
130.28461	1.4
137.02382	2.1
167.03464	3.0
167.79555	1.2
169.01418	7.0
177.01886	3.5
179.05595	3.7
197.11821	17.2
211.13319	3.4
227.12970	1.7
233.68198	1.4
235.08183	2.9
243.03069	1.9
247.20546	1.5
288.66031	1.5
291.19638	19.8
292.19888	1.9
293.20999	2.4
306.17319	1.5
309.20700	100.0
310.21011	6.2
343.09229	1.6
397.13431	16.4
415.14523	15.8
506.05869	1.4
601.41595	2.1
689.34393	9.5
690.35260	1.7
707.35059	11.9
734.37164	1.7
999.56079	12.0
1000.55292	2.1
1005.95148	1.8
1035.31836	2.8
1035.52917	35.8
1036.52917	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1028.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	30.0
87.00858	12.3
89.02446	26.7
98.19940	29.1
101.02442	39.7
113.02496	13.2
125.02413	25.9
135.98616	10.4
144.42746	9.8
144.44083	10.8
171.10210	13.3
185.11777	12.7
211.13347	100.0
212.13623	25.6
277.21799	70.0
278.21991	45.3
289.17908	11.6
290.18472	15.8
291.19666	90.0
292.19943	33.4
299.98886	12.6
310.15103	11.4
379.12357	28.7
396.65079	13.0
397.13300	66.4
398.13757	23.9
415.14221	21.6
498.37549	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	1030.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
79.55584	15.8
79.95763	26.3
99.92551	20.9
116.52335	17.1
116.92885	100.0
194.94505	17.3
277.21912	22.6
310.21048	24.0
358.74109	18.6
715.12726	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	1030.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
79.52401	40.2
106.19444	57.0
116.92873	100.0
133.87384	39.4
277.21439	46.6
278.21768	48.3
288.54150	44.9
309.20712	56.8
312.02585	44.9
417.76254	45.9
479.27481	44.3
853.98566	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
116.92873	71.6
121.02937	100.0
124.46677	39.9
125.02415	56.7
171.52975	38.6
197.58713	41.8
209.04669	53.1
211.77837	39.8
221.44046	44.1
293.21240	81.0
378.17776	55.3
637.13287	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	1030.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
77.06559	81.8
82.45791	76.2
87.53436	77.9
112.90201	68.5
114.63596	83.3
126.78021	77.4
153.52649	74.6
200.17136	99.7
338.41815	100.0
381.09500	83.9
793.13947	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5807
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99308	1.2
73.02962	1.4
81.03471	1.3
83.01380	1.7
83.05055	0.8
84.02163	1.7
85.02948	3.5
87.00874	2.8
89.02448	12.5
93.03469	1.1
95.01355	1.8
95.05030	1.0
96.96011	1.1
97.02962	3.4
97.06598	6.7
99.00903	1.2
101.02444	11.0
111.04574	0.8
111.08157	3.9
113.02464	5.5
116.92822	1.1
117.86144	0.7
119.03509	3.3
123.66743	0.8
125.02455	9.9
125.09715	2.6
131.03545	1.0
132.03015	0.7
137.09702	1.1
143.03529	1.9
161.04524	3.3
163.44121	0.8
167.03487	1.3
167.10764	1.5
169.01396	3.6
171.10275	8.2
171.53802	1.0
177.01967	1.8
177.12822	0.9
179.03363	0.9
179.05586	3.9
179.10744	0.9
181.12440	0.9
193.12347	9.9
195.13867	4.1
195.87856	0.7
197.11848	0.9
201.11357	0.7
207.10397	1.0
209.11870	1.3
211.13420	2.8
221.06644	1.8
221.11824	0.9
223.13512	1.4
225.11375	1.6
225.14960	11.9
226.15189	0.8
228.21628	0.8
235.08194	2.4
241.14470	6.2
243.03073	1.2
243.16000	6.5
253.09200	0.9
253.14655	0.9
269.16968	0.7
275.20258	1.3
275.87250	0.8
291.19662	49.0
292.19983	3.0
293.21246	22.0
293.24423	1.6
294.21426	1.7
305.17813	0.8
309.20605	2.1
321.20789	0.9
323.09991	0.9
323.22107	1.5
327.21609	1.3
341.23318	100.0
342.17261	0.9
342.23654	5.6
397.13495	21.2
398.13965	1.1
415.14584	12.1
416.14783	0.9
615.43640	1.3
649.76050	0.7
737.41357	1.7
1013.59265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5861
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	15.9
74.57413	2.3
87.00883	3.1
89.02442	9.1
97.02918	5.3
101.02424	9.6
108.43288	2.1
113.02445	7.5
125.02453	6.0
161.04535	2.8
165.12831	4.9
171.10197	5.3
179.05609	3.3
197.11792	13.8
211.13377	5.6
229.59508	2.8
235.08249	6.7
277.21719	41.5
291.19638	34.7
309.20694	100.0
310.20914	6.9
379.12283	5.5
397.13522	35.6
398.13760	3.2
415.14581	14.8
480.51666	3.1
689.34460	3.7
707.35193	5.2
958.80463	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	1028.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	58.2
80.17484	29.4
89.02442	77.3
96.47833	28.0
101.02431	53.7
116.92870	82.3
125.02407	43.4
126.53560	32.4
147.96529	32.0
172.02557	30.7
197.11755	37.8
262.46771	30.0
277.21695	100.0
278.22049	91.2
289.18045	85.6
290.18457	42.2
291.18768	31.4
307.19086	57.2
308.19464	39.6
309.20190	34.2
380.64481	30.4
397.13651	63.3
398.13641	67.9
399.14063	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1028.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	63.1
89.02459	51.3
101.02463	30.0
199.54283	26.2
277.21594	89.3
278.22144	86.1
289.18063	100.0
290.18280	58.1
307.19077	51.5
308.19403	53.2
309.20444	42.8
346.37878	25.4
397.13522	78.9
398.13641	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.585
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	25.5
71.15665	18.4
71.15989	15.0
72.08616	13.3
116.92856	16.1
122.51367	14.5
127.64832	16.4
166.76605	12.0
209.00728	12.8
211.13644	13.1
242.33684	11.3
277.21646	71.7
291.19678	48.0
309.20602	100.0
327.21982	14.6
397.13419	52.3
415.14877	15.1
464.25385	16.0
558.14368	15.3
583.01819	14.1
689.33087	17.4
707.35449	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	1027.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01379	0.4
107.01404	0.8
108.02167	0.7
121.02946	0.4
123.00894	0.2
125.02479	0.3
135.00900	0.3
148.01669	1.1
151.00366	3.9
163.00372	0.6
164.01071	0.3
178.99846	2.6
198.03294	0.2
199.03983	0.7
212.71114	0.2
212.73097	0.3
215.03482	0.4
216.04234	0.5
226.02693	0.9
227.03473	1.8
243.02963	6.2
244.03606	0.3
245.04602	0.3
254.02220	1.8
255.02971	19.0
256.03397	1.0
271.02469	43.4
272.02890	3.1
299.01956	1.9
300.02734	82.8
301.03360	8.7
302.03833	0.3
323.54523	0.2
370.08768	0.2
406.52942	0.3
447.09116	2.8
448.09476	0.3
458.82889	0.2
579.13525	100.0
580.13849	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	1025.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	11.1
76.28475	1.6
83.01396	3.4
85.02932	2.9
87.00865	2.6
89.02450	9.4
95.05048	2.0
98.19911	4.0
101.02437	7.5
109.06595	5.7
113.02443	8.4
119.03527	3.1
125.02477	5.3
141.01836	2.4
143.99176	2.0
145.42014	1.7
158.00558	1.7
161.04533	4.9
167.10802	2.5
167.35783	1.8
179.05612	5.8
181.60820	1.6
194.58427	2.0
201.42500	2.1
228.22687	1.7
235.08211	4.1
245.19171	5.2
265.32779	1.7
277.21741	46.0
278.21960	3.2
289.18103	100.0
290.18518	4.8
307.19147	5.9
379.12405	5.6
397.13480	34.0
415.14453	11.0
669.31787	3.0
687.32434	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	1019.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	26.8
87.00899	11.9
87.45899	5.5
89.02449	29.8
97.02940	6.9
97.06594	8.6
101.02451	23.3
104.66145	6.6
113.02442	9.4
119.03526	12.0
125.02435	13.4
138.06857	6.3
143.03558	7.0
160.00429	4.8
173.92526	5.9
179.05612	14.0
191.14442	6.6
209.11768	16.5
235.08260	8.1
245.18971	8.8
263.20071	8.6
277.21710	100.0
278.22095	9.5
289.18021	75.5
291.53342	5.6
307.19086	74.0
309.20657	8.0
397.13477	85.7
415.14859	30.0
1019.52301	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	1025.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	33.8
73.02961	3.7
83.01387	6.8
85.02935	7.0
87.00880	8.3
89.02435	23.4
91.65936	2.6
95.04980	3.2
97.02946	7.3
97.06600	4.1
101.02433	24.9
113.02503	15.1
119.03526	7.3
124.13044	2.9
125.02444	12.2
143.03520	4.7
151.11223	4.3
161.04581	5.7
165.12801	8.9
179.05598	5.3
181.12288	6.2
191.10767	3.4
191.14375	5.7
209.11800	28.1
211.13390	3.2
221.06516	3.0
227.12895	13.8
235.08211	10.4
245.19016	13.8
263.20169	11.1
271.17084	4.3
277.21707	100.0
278.21951	4.2
279.19504	3.8
287.07599	4.2
289.18066	40.3
307.19128	82.6
379.12378	8.2
397.13531	63.6
415.14474	16.4
418.95453	3.2
481.41919	3.8
566.70062	4.0
578.21783	3.1
589.25293	8.5
607.25958	11.9
675.35803	3.2
687.32129	7.5
705.33368	8.9
826.32617	3.1
867.47778	27.3
965.55194	19.3
966.54956	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	1017.5633
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92323	1.2
70.92641	1.3
71.01384	21.3
72.99335	1.0
73.02940	3.0
75.00855	1.3
81.03446	1.7
83.01389	2.7
83.05015	2.9
85.02942	8.5
87.00879	4.1
89.02444	14.1
95.01404	1.8
95.05000	1.6
96.95974	2.1
97.02929	3.9
97.06590	2.7
99.00921	1.1
101.02431	14.8
109.06555	1.0
111.08189	5.4
113.02438	7.8
116.92860	0.9
119.03529	3.7
125.02431	11.6
125.09750	1.2
127.11310	1.8
131.03484	0.9
137.02455	1.6
137.09698	1.7
143.03484	3.2
149.02341	1.3
154.06157	1.0
160.01726	0.7
161.04572	3.8
163.11311	1.4
165.01917	0.9
165.12854	2.3
167.03505	2.4
169.01390	5.5
171.10263	19.0
177.01901	3.3
177.12935	1.3
179.05646	3.5
179.10730	1.0
181.12427	1.0
183.13828	2.1
185.11832	1.5
193.12231	0.9
195.13927	5.3
197.11842	1.3
201.11275	1.3
209.11807	26.7
210.12126	1.4
211.13361	13.0
221.06612	2.1
221.11842	1.8
223.13232	1.8
227.12912	3.7
227.16165	0.8
229.14413	7.4
235.08191	3.7
239.12970	1.7
247.20740	1.3
256.13138	0.8
263.07687	0.9
275.20172	1.8
281.21082	0.9
287.46552	0.8
289.18051	1.2
291.19641	52.5
292.19977	2.5
293.21219	27.9
294.21600	1.7
305.08978	1.6
307.19168	2.6
309.20682	7.1
325.20010	1.3
327.21753	100.0
328.22092	6.8
361.10464	0.8
387.79279	0.8
397.13495	36.4
398.13965	1.2
415.14639	19.6
416.14780	1.2
689.34235	1.5
725.36584	1.0
1017.54938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	11.2
71.54169	1.0
73.02958	1.8
83.01398	1.0
83.05029	1.3
85.02953	7.2
87.00885	2.1
89.02440	7.2
95.01387	0.8
96.96008	1.6
97.02963	3.1
97.06573	2.4
101.02456	7.6
101.64412	0.8
111.00860	0.8
111.08170	2.9
113.02452	4.3
119.03495	1.8
123.08216	0.7
124.01616	0.9
125.02438	9.4
125.09740	1.5
127.11243	1.6
137.02454	1.2
137.09741	2.1
139.03990	1.0
143.03458	1.2
143.14206	0.6
149.02446	0.9
151.11246	0.9
153.12846	0.8
161.04538	1.6
165.12807	1.2
167.03473	1.2
167.14345	1.1
169.01443	3.9
169.02638	0.7
169.12392	2.0
171.10275	21.0
177.01936	3.0
177.12871	0.9
179.05649	3.4
181.12238	1.3
183.13933	3.6
193.12221	0.9
197.11821	22.2
199.13339	1.4
201.11305	0.9
209.11855	1.4
211.13402	16.9
221.06667	1.3
221.11786	1.8
227.12831	1.1
229.14459	9.5
230.42992	0.6
235.08186	2.3
239.12758	0.8
247.20721	0.9
263.20370	1.0
273.18536	1.4
291.16647	0.9
291.19678	12.2
293.21072	0.8
309.20712	53.6
310.21234	3.9
311.26547	0.7
323.09842	0.9
327.21756	100.0
328.22031	7.3
397.13516	24.7
398.13742	0.8
415.14627	21.0
416.14902	1.1
423.06924	0.8
501.28860	0.8
619.42438	5.0
689.33484	0.8
707.34955	9.8
708.36218	0.8
725.35925	7.2
936.09613	0.7
996.65460	0.8
1017.54108	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	1017.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	21.8
71.05026	4.2
73.02943	2.5
85.02938	4.1
87.00880	4.7
89.02455	18.4
89.61775	2.4
97.02963	2.8
98.20601	3.0
101.02420	15.5
109.06598	3.6
113.02457	6.0
119.03503	8.9
121.39879	2.6
123.46964	3.2
124.74697	2.7
125.02406	7.8
143.03499	2.8
161.04538	3.7
165.09157	4.1
179.05609	10.8
189.12883	5.8
195.13899	4.5
203.10640	3.3
205.15932	3.5
235.08220	4.0
235.13319	4.6
237.15103	5.9
247.13431	5.9
254.23190	3.0
277.21701	46.6
278.21933	3.4
287.16504	44.4
288.16898	4.2
289.18008	5.3
305.17599	100.0
306.17993	7.1
338.84732	2.7
354.09619	2.7
397.13492	33.2
415.14560	11.6
438.12939	2.8
602.51898	3.4
609.15399	3.1
964.53729	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	1015.5885
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	10.7
72.99290	1.4
73.02936	1.4
81.03455	1.2
83.01379	1.4
83.05018	1.0
84.02165	3.5
85.02959	2.9
85.03383	0.5
87.00882	3.0
89.02452	8.8
95.01378	1.1
96.96008	0.8
97.02956	4.3
97.06582	4.0
99.00879	0.9
99.04518	1.1
101.02441	9.2
103.14090	0.4
111.08146	1.7
113.02453	4.6
116.92859	1.0
119.03497	2.4
119.08675	0.6
125.02438	5.9
125.09701	1.5
127.04062	0.6
127.11255	0.5
133.14554	0.4
134.72261	0.6
135.08112	0.6
137.09703	1.2
143.03461	1.3
149.04526	0.6
151.11281	0.5
161.04538	2.7
163.11249	0.5
165.12782	0.7
167.03467	1.0
169.01395	2.3
169.12364	0.7
171.10269	15.7
172.10669	0.9
172.48613	0.5
174.91769	0.5
175.06441	0.6
177.01982	1.0
177.12799	0.9
179.05594	4.0
179.10762	0.9
179.14365	0.8
185.11824	1.5
191.14325	0.8
193.12360	7.0
195.13914	5.8
197.11847	5.9
205.12201	0.6
209.11847	1.8
211.13356	2.8
221.06648	1.3
223.13309	3.9
225.14973	11.2
227.12917	1.1
229.06082	0.8
235.08249	2.3
243.16003	4.2
245.19141	1.2
253.09192	1.4
256.13165	0.6
257.19839	0.6
263.20251	0.8
270.55942	0.6
275.20129	3.0
287.07834	0.7
289.18066	4.7
291.19693	4.7
292.19937	0.9
293.21225	65.3
294.21466	4.2
305.21292	0.6
307.19189	3.9
309.20715	8.7
323.09802	0.7
323.22104	1.1
341.23309	100.0
341.76044	0.5
342.23685	7.2
343.23920	0.7
379.12299	1.1
397.13492	27.2
398.13876	1.6
415.14532	17.7
416.15042	0.9
617.44208	5.2
684.88928	0.6
691.35376	3.0
721.36328	3.0
733.71191	0.5
739.37830	2.8
1015.56543	0.9
1016.55328	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5885
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	10.7
72.99290	1.4
73.02936	1.4
81.03455	1.2
83.01379	1.4
83.05018	1.0
84.02165	3.5
85.02959	2.9
85.03383	0.5
87.00882	3.0
89.02452	8.8
95.01378	1.1
96.96008	0.8
97.02956	4.3
97.06582	4.0
99.00879	0.9
99.04518	1.1
101.02441	9.2
103.14090	0.4
111.08146	1.7
113.02453	4.6
116.92859	1.0
119.03497	2.4
119.08675	0.6
125.02438	5.9
125.09701	1.5
127.04062	0.6
127.11255	0.5
133.14554	0.4
134.72261	0.6
135.08112	0.6
137.09703	1.2
143.03461	1.3
149.04526	0.6
151.11281	0.5
161.04538	2.7
163.11249	0.5
165.12782	0.7
167.03467	1.0
169.01395	2.3
169.12364	0.7
171.10269	15.7
172.10669	0.9
172.48613	0.5
174.91769	0.5
175.06441	0.6
177.01982	1.0
177.12799	0.9
179.05594	4.0
179.10762	0.9
179.14365	0.8
185.11824	1.5
191.14325	0.8
193.12360	7.0
195.13914	5.8
197.11847	5.9
205.12201	0.6
209.11847	1.8
211.13356	2.8
221.06648	1.3
223.13309	3.9
225.14973	11.2
227.12917	1.1
229.06082	0.8
235.08249	2.3
243.16003	4.2
245.19141	1.2
253.09192	1.4
256.13165	0.6
257.19839	0.6
263.20251	0.8
270.55942	0.6
275.20129	3.0
287.07834	0.7
289.18066	4.7
291.19693	4.7
292.19937	0.9
293.21225	65.3
294.21466	4.2
305.21292	0.6
307.19189	3.9
309.20715	8.7
323.09802	0.7
323.22104	1.1
341.23309	100.0
341.76044	0.5
342.23685	7.2
343.23920	0.7
379.12299	1.1
397.13492	27.2
398.13876	1.6
415.14532	17.7
416.15042	0.9
617.44208	5.2
684.88928	0.6
691.35376	3.0
721.36328	3.0
733.71191	0.5
739.37830	2.8
1015.56543	0.9
1016.55328	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5889
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	14.6
71.53176	0.5
72.99306	1.1
73.02933	2.0
78.95906	0.5
78.96726	0.4
81.03448	1.1
83.01371	1.5
83.05025	1.7
84.02151	1.6
85.02944	2.9
87.00867	3.1
89.02441	10.4
95.01387	1.2
95.05023	0.5
96.96013	4.9
96.96970	0.6
97.02950	3.8
97.06590	5.6
99.00891	0.9
99.04508	0.7
101.02444	10.5
108.02199	0.4
109.06593	0.6
111.00797	0.4
111.08141	1.3
113.02453	5.9
114.66349	0.4
116.92824	0.6
119.03487	2.3
121.02898	0.5
123.00883	0.4
123.04535	0.5
123.08147	0.6
125.02442	6.8
125.09711	1.7
131.03514	0.5
137.02417	0.7
137.09695	1.5
143.03493	1.6
145.05019	0.5
161.04599	2.7
163.11267	0.9
165.12820	1.2
167.03441	1.0
167.10774	0.7
169.01416	2.5
169.12314	0.5
171.10268	9.5
175.11285	0.8
177.01953	0.5
177.12820	1.0
179.05574	2.9
179.14404	0.6
181.12288	0.6
185.11833	1.5
191.14374	0.9
193.12332	7.7
195.13889	6.6
197.11829	5.7
205.12361	0.7
207.10512	0.4
209.11833	2.5
211.13416	3.6
221.06641	2.2
221.11809	0.9
223.13373	3.7
225.11423	0.6
225.14951	11.2
227.12885	2.1
228.13480	0.6
235.08270	3.0
243.15981	5.3
245.19112	1.8
247.20628	0.8
253.09259	0.9
253.14442	1.5
256.13257	1.1
263.07632	0.8
263.20172	1.5
273.18710	0.4
275.20093	4.5
287.07654	1.1
289.18094	6.3
291.19647	6.4
293.21216	68.3
294.21619	2.9
305.09082	0.7
305.17606	0.5
307.19150	5.4
309.20724	9.6
310.21167	0.8
323.09860	1.0
323.22238	1.0
325.20172	1.3
341.23297	100.0
342.23593	6.3
379.12622	0.9
397.13492	28.6
398.13617	1.1
415.14539	17.9
416.14529	0.5
525.40057	0.4
595.65985	0.5
607.27179	0.7
617.44189	5.2
618.44678	0.6
673.34070	0.5
691.35382	2.9
721.36542	3.0
739.37469	3.2
759.57690	0.4
951.35339	0.4
985.15106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	18.6
73.02930	2.7
79.78965	1.2
81.03471	1.5
83.01366	3.2
83.04995	1.9
85.02938	9.3
87.00867	5.8
87.85767	1.5
89.02451	14.7
93.03468	1.6
93.75423	1.2
95.01416	1.3
95.05013	2.6
96.96001	2.4
97.02937	5.2
97.06612	3.5
98.20710	2.0
101.02435	13.4
109.03016	1.4
109.06579	3.9
111.08142	4.1
113.02446	7.3
119.03482	4.1
125.02449	22.5
125.09691	2.5
126.02783	1.8
127.11275	1.3
128.75005	1.5
137.02425	4.3
137.09718	3.1
141.12740	1.2
143.03471	2.9
145.01215	1.3
153.09268	3.2
155.10750	1.6
161.04559	2.3
163.11279	2.1
165.12796	3.2
167.03467	3.1
169.01443	11.4
169.12292	1.8
171.10249	17.5
177.01881	5.7
179.05641	7.5
181.12265	1.8
183.13829	3.6
184.14371	1.4
185.11810	4.2
191.14380	2.4
197.11838	19.9
199.13298	1.6
209.11824	15.0
211.13394	19.1
221.06657	2.0
221.11826	2.7
227.12769	3.0
229.14526	10.7
235.08186	4.0
239.12830	2.1
243.02797	1.8
245.19099	4.0
247.20636	1.7
263.20288	1.8
281.21188	1.7
289.18069	21.6
291.19739	9.8
307.19147	28.9
309.20673	37.5
325.20193	21.8
327.21753	100.0
328.22150	6.8
340.62509	1.4
397.13541	32.8
415.14526	20.4
639.13013	1.6
705.33252	6.8
707.34900	3.2
725.35828	3.8
902.36639	1.6
917.48041	1.9
927.50983	4.6
997.53815	4.7
1015.54224	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	1015.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00999	2.2
71.01382	32.3
72.99310	2.4
73.02934	2.8
76.26115	1.3
78.95899	2.0
79.95728	1.3
81.03450	4.5
81.94981	1.4
83.01391	3.6
83.05019	2.4
85.02939	7.5
87.00893	7.2
89.02445	25.7
93.03423	1.5
95.01371	3.2
95.05025	2.6
96.96015	16.2
96.96939	2.0
97.02931	5.6
97.06567	3.0
99.00899	2.6
101.02449	25.3
106.04266	1.4
109.06532	3.1
111.08164	9.3
113.02465	12.7
119.03475	10.0
123.04527	3.3
123.08148	3.1
124.01611	1.2
125.02463	12.1
125.09730	6.8
131.03453	1.7
135.08138	2.1
137.09680	2.1
143.03453	1.7
151.11185	1.4
155.10765	1.8
161.04535	4.7
161.09662	1.6
163.11304	4.4
165.12848	3.5
167.03551	1.8
167.10818	1.9
169.01349	1.5
171.10272	4.0
177.12856	3.8
179.05621	5.2
179.10744	3.0
181.12276	2.5
185.11816	5.7
191.14404	6.6
195.13853	6.7
197.11853	2.1
207.10190	3.5
209.11833	16.9
211.13448	2.6
221.06670	4.4
222.31482	1.3
223.13321	1.6
225.11281	3.4
227.12901	4.7
235.08151	5.3
237.11328	1.4
245.19147	11.6
247.20644	2.3
253.09187	2.3
263.20221	1.8
269.01804	1.1
271.16840	1.4
275.20145	2.6
277.21643	2.8
279.19583	1.8
280.18402	1.2
289.18112	34.2
290.18372	1.7
291.19666	100.0
292.19980	8.4
293.21265	7.9
305.17606	1.4
307.19116	31.4
308.19437	1.9
309.20767	9.2
310.21027	1.7
323.22156	2.5
357.22678	1.5
397.13544	18.7
415.14648	12.3
636.08960	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	1015.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	35.1
71.15506	1.0
71.15871	1.8
72.99303	2.6
73.02953	4.6
75.00869	1.2
80.02665	1.1
81.03454	2.9
83.01392	4.7
83.05043	1.9
84.02133	1.7
84.10043	0.8
85.02952	8.1
87.00889	8.3
89.02444	25.1
93.03455	1.2
95.01363	1.8
95.05016	1.9
97.02966	7.2
97.06598	4.9
99.00851	2.5
99.04487	1.3
99.92657	1.2
101.02443	26.2
111.00838	1.7
111.04541	1.7
111.08166	15.9
113.02464	13.3
116.92864	6.8
119.03497	6.6
121.02998	1.5
123.04543	2.0
123.08175	1.8
125.02444	13.8
125.09724	7.5
128.03525	1.4
131.03462	1.3
137.02440	1.4
137.09723	2.6
139.03981	1.1
143.03490	4.3
143.04559	1.9
143.38565	1.1
149.02411	1.0
151.11275	2.7
153.09247	1.3
153.12849	1.9
161.04541	5.1
161.09595	0.9
163.11278	6.1
165.12816	3.7
167.03461	1.6
167.10756	1.8
169.01413	4.2
169.12373	7.9
171.10254	6.4
177.01936	1.5
179.05647	8.2
179.10794	1.2
181.12349	3.8
183.13922	2.3
185.11823	8.0
191.10817	1.5
191.14404	6.1
193.12357	1.5
197.11823	80.5
198.12141	2.3
199.13426	6.2
207.10231	3.0
209.11824	19.2
211.13434	14.4
217.07024	1.1
221.06616	3.9
221.11813	1.3
223.13326	1.2
225.11275	2.3
227.12875	13.2
235.08223	8.3
237.11360	1.9
245.19104	14.4
253.09181	1.7
263.07700	2.0
263.20142	10.9
265.17764	2.2
271.16986	2.7
273.18585	2.4
281.21252	1.8
287.07657	1.1
289.18094	52.6
290.18307	3.4
291.19659	31.8
292.19983	3.3
293.21133	6.0
304.04266	1.1
305.08844	1.8
306.07556	3.2
307.19135	52.1
308.19363	3.3
308.22522	1.0
309.20700	100.0
310.21146	6.7
325.20029	2.0
327.21945	2.0
333.20618	1.1
341.23230	9.0
342.23944	1.9
379.12454	1.4
397.13501	33.5
398.13556	2.5
415.14584	22.2
416.14984	1.1
435.83322	1.1
607.25903	4.4
687.32239	1.3
705.32922	2.2
899.48303	1.2
1015.53125	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	35.1
71.15506	1.0
71.15871	1.8
72.99303	2.6
73.02953	4.6
75.00869	1.2
80.02665	1.1
81.03454	2.9
83.01392	4.7
83.05043	1.9
84.02133	1.7
84.10043	0.8
85.02952	8.1
87.00889	8.3
89.02444	25.1
93.03455	1.2
95.01363	1.8
95.05016	1.9
97.02966	7.2
97.06598	4.9
99.00851	2.5
99.04487	1.3
99.92657	1.2
101.02443	26.2
111.00838	1.7
111.04541	1.7
111.08166	15.9
113.02464	13.3
116.92864	6.8
119.03497	6.6
121.02998	1.5
123.04543	2.0
123.08175	1.8
125.02444	13.8
125.09724	7.5
128.03525	1.4
131.03462	1.3
137.02440	1.4
137.09723	2.6
139.03981	1.1
143.03490	4.3
143.04559	1.9
143.38565	1.1
149.02411	1.0
151.11275	2.7
153.09247	1.3
153.12849	1.9
161.04541	5.1
161.09595	0.9
163.11278	6.1
165.12816	3.7
167.03461	1.6
167.10756	1.8
169.01413	4.2
169.12373	7.9
171.10254	6.4
177.01936	1.5
179.05647	8.2
179.10794	1.2
181.12349	3.8
183.13922	2.3
185.11823	8.0
191.10817	1.5
191.14404	6.1
193.12357	1.5
197.11823	80.5
198.12141	2.3
199.13426	6.2
207.10231	3.0
209.11824	19.2
211.13434	14.4
217.07024	1.1
221.06616	3.9
221.11813	1.3
223.13326	1.2
225.11275	2.3
227.12875	13.2
235.08223	8.3
237.11360	1.9
245.19104	14.4
253.09181	1.7
263.07700	2.0
263.20142	10.9
265.17764	2.2
271.16986	2.7
273.18585	2.4
281.21252	1.8
287.07657	1.1
289.18094	52.6
290.18307	3.4
291.19659	31.8
292.19983	3.3
293.21133	6.0
304.04266	1.1
305.08844	1.8
306.07556	3.2
307.19135	52.1
308.19363	3.3
308.22522	1.0
309.20700	100.0
310.21146	6.7
325.20029	2.0
327.21945	2.0
333.20618	1.1
341.23230	9.0
342.23944	1.9
379.12454	1.4
397.13501	33.5
398.13556	2.5
415.14584	22.2
416.14984	1.1
435.83322	1.1
607.25903	4.4
687.32239	1.3
705.32922	2.2
899.48303	1.2
1015.53125	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1008.5747
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86816	64.9
70.87174	100.0
96.96050	65.0
121.10829	48.7
266.77975	54.1
625.50006	54.9
629.36707	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.59
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	10.3
71.52811	1.4
73.02943	1.2
83.59831	1.1
85.02969	2.5
87.00866	3.9
89.02451	9.4
94.09863	1.1
95.01436	1.4
97.02985	2.5
101.02461	7.8
112.04694	1.2
112.08736	1.1
113.02451	4.2
119.03513	4.0
125.02449	3.2
154.55779	1.2
157.34996	1.2
161.04593	1.9
178.14214	1.1
179.05537	3.1
195.13884	7.3
213.87891	1.2
223.13388	3.3
235.08180	4.2
275.20169	3.8
277.21719	41.5
278.22003	2.9
293.21228	100.0
294.21487	6.4
323.09927	1.3
330.81595	1.4
379.12326	4.2
397.08273	2.2
397.13504	46.3
398.13895	2.6
415.14645	9.8
602.56860	1.3
675.35767	3.4
1041.24280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
78.80923	56.8
98.19754	100.0
152.92087	50.6
259.75458	60.1
300.56412	49.2
316.21060	63.7
926.74603	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	47.5
72.99295	3.8
73.02946	9.6
75.00871	1.0
80.02682	1.2
81.03445	5.2
83.01379	8.0
83.05029	3.3
84.02173	2.5
85.02946	11.5
87.00881	9.5
89.02445	32.7
93.03465	1.4
95.01370	4.0
95.05007	2.4
97.02953	12.6
97.06599	9.0
98.20743	2.3
99.00874	2.4
99.04495	1.5
99.92581	15.3
101.02441	35.7
104.35867	1.1
107.05083	1.0
109.02937	3.0
109.06618	2.4
111.04533	1.7
111.08150	14.2
113.02457	22.1
114.02727	1.0
114.93444	1.2
116.92861	80.3
117.01930	3.2
117.92912	2.8
119.03495	9.8
121.06602	1.6
123.04520	5.3
123.08167	2.5
125.01541	1.2
125.02448	17.0
125.06099	1.8
125.09721	15.1
127.07679	1.5
127.11260	1.3
131.03514	2.0
135.08122	1.6
137.02440	2.0
137.09714	5.6
139.04033	1.9
139.16521	1.0
141.01898	1.2
142.02621	1.5
143.03482	6.3
149.04550	1.1
149.06117	1.7
150.10498	1.2
151.11269	1.3
153.09201	1.3
153.12817	1.6
161.04546	6.9
163.07623	1.0
163.11279	10.7
165.01874	1.1
165.12822	7.1
167.03508	1.3
167.10695	3.4
169.01437	3.9
169.12306	6.7
171.10262	15.4
177.01862	1.2
177.12810	1.2
179.05589	11.6
179.10756	1.3
179.14494	1.5
181.12309	4.6
183.13921	1.8
185.11800	13.9
185.43889	0.9
191.10820	2.0
191.14394	10.2
193.12280	6.0
195.13885	3.1
197.11816	68.7
198.12167	2.4
199.13394	3.8
201.11368	1.2
207.10304	5.8
209.11835	26.0
210.12144	2.5
211.13403	13.5
214.01466	1.0
217.15924	3.1
221.06653	6.1
221.11847	1.2
223.13388	3.1
225.11328	4.1
225.14894	7.3
227.12871	12.7
235.08235	11.5
237.11333	5.1
243.15793	1.3
245.19080	20.2
246.19432	2.1
247.20601	3.5
253.09250	3.5
263.07758	1.8
263.20065	7.2
265.17999	2.9
271.16928	2.4
273.18564	3.6
275.20148	2.1
281.21213	2.8
287.07666	2.3
289.18085	81.6
290.18466	4.8
291.19656	55.2
291.66858	1.1
292.19980	3.9
293.21201	41.3
294.21527	2.6
305.08786	3.1
307.19150	60.8
308.19476	6.5
309.20697	100.0
310.20944	6.9
323.09723	1.6
325.20062	2.4
341.23300	67.2
342.23648	4.7
379.12604	1.5
397.13483	53.3
398.13757	3.0
415.14594	35.4
416.14618	1.7
424.82892	1.1
468.00787	1.3
607.26251	2.1
607.79333	1.2
617.44183	4.4
691.35486	2.0
705.33344	2.5
739.37024	1.9
997.54492	1.7
998.56018	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5395
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	13.5
71.54954	5.1
71.55454	8.1
73.02939	4.7
77.85368	6.3
85.11072	4.8
87.05700	5.1
89.02448	19.4
101.02431	11.1
113.02460	5.8
116.92846	13.7
121.02974	17.2
125.02444	9.0
165.01947	11.8
190.44560	5.4
197.11778	27.8
199.92950	5.2
217.94881	5.0
235.08194	6.6
270.83215	5.8
277.21683	38.7
278.22021	5.2
291.19571	15.0
309.20679	100.0
341.23245	5.0
379.12280	7.7
397.13452	65.6
415.14246	16.3
675.36029	9.7
689.33606	8.5
708.17725	6.9
1003.53680	43.6
1004.54126	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	1003.5395
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	12.0
71.02710	4.3
80.38390	2.2
85.02940	2.2
85.19637	1.9
86.91556	2.4
87.00889	2.3
87.15637	1.8
89.02458	11.0
97.02951	3.5
101.02406	10.8
111.08177	2.5
113.02456	5.9
119.53906	2.2
125.02428	7.0
131.12331	2.0
161.04637	3.6
165.12720	2.7
171.10207	2.9
179.05556	5.0
197.11787	6.7
211.13351	2.4
235.08215	5.2
277.21759	33.4
287.07767	2.5
291.19656	19.6
309.20718	100.0
310.21048	3.3
379.12341	7.2
397.13492	57.7
398.13852	4.2
415.14529	17.7
675.36090	6.6
689.33875	9.0
707.34753	5.2
967.56342	5.2
1003.35083	4.0
1003.54089	48.6
1004.54254	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	1006.559
Annotation	Unknow
Peak:m/z	Relative Intensity
87.49673	93.7
104.14173	100.0
284.90698	86.3
364.65070	91.7
493.96140	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1008.5739
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95787	100.0
85.46059	26.1
85.96636	27.8
103.71018	24.5
109.78165	25.9
233.54338	28.5
279.86868	23.9
411.97806	24.1
449.02533	25.1
649.48157	27.6
654.60980	28.5
695.22388	24.7
887.49689	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1008.5739
Annotation	Unknow
Peak:m/z	Relative Intensity
73.54356	65.3
107.89844	70.3
114.81186	74.7
156.11189	100.0
229.94025	67.1
307.89969	79.2
459.63379	84.5
679.56848	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5383
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	20.0
71.52615	7.6
87.00871	6.5
88.98805	18.2
89.02440	20.8
93.20715	5.8
98.31489	5.4
101.02435	18.6
101.80502	5.1
113.02414	6.2
113.06335	5.9
119.03503	8.6
123.16048	5.8
125.02432	18.7
161.04604	6.8
171.10167	6.9
179.05608	8.4
211.13353	47.2
277.21695	88.2
278.21912	11.8
289.18036	58.0
290.18472	10.3
291.19656	58.1
294.51721	6.4
309.20825	17.6
323.09708	7.4
361.11096	6.0
379.12402	24.7
397.13525	100.0
398.13773	13.2
415.14758	15.0
591.26349	8.3
671.33020	12.7
675.35815	15.7
689.34082	15.0
834.49927	6.5
916.32599	6.5
949.55060	19.4
1003.53302	82.1
1004.52826	19.3
1036.80249	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	1003.5391
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	22.0
71.55141	7.6
71.73972	6.1
89.02447	18.7
96.16706	4.9
99.00897	4.9
101.02434	17.5
113.02477	12.9
125.02419	7.9
126.67183	5.2
160.79285	6.4
179.05550	11.0
196.66968	4.8
235.08142	7.9
255.23213	22.1
277.21762	48.2
281.24753	7.1
289.18079	30.9
291.19641	100.0
293.20798	5.4
334.34567	5.5
341.23120	24.8
379.12405	6.9
395.79745	6.0
397.13501	83.2
398.13354	7.0
415.14502	19.6
479.85168	5.6
482.04123	6.0
558.68958	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	1001.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	30.5
71.52426	22.4
82.80875	17.8
125.63660	17.0
134.82697	18.6
209.11873	24.8
277.21683	72.0
289.18140	31.9
307.19092	77.1
339.19977	25.0
358.00925	18.3
397.13531	100.0
415.14334	21.8
607.26764	20.3
705.32544	19.5
867.48639	32.3
965.54303	25.8
1001.52545	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	35.3
80.86896	10.2
87.00928	13.0
89.02434	15.1
101.02450	23.8
131.43440	9.2
142.19490	11.0
233.66125	10.5
277.21701	74.8
289.18073	70.9
305.08829	14.7
307.19168	97.0
316.44202	10.8
379.12466	18.8
397.13541	100.0
415.14667	31.7
480.57065	11.3
720.72925	13.3
1001.52588	77.9
1002.53082	12.5
1039.27625	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	1001.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	14.5
73.02954	2.4
83.01418	2.7
85.02943	3.5
87.00858	4.4
89.02449	15.3
89.45145	2.5
97.02919	2.9
97.06580	3.9
98.20682	8.2
99.92574	6.2
101.02426	12.0
109.06635	2.4
113.02444	5.8
116.92081	4.1
116.92847	41.5
117.02010	2.3
117.33407	2.3
117.92868	17.9
118.92670	7.9
118.96941	3.7
119.03468	5.1
119.94604	3.5
123.00842	3.2
125.02428	8.5
161.04506	4.8
168.00659	3.0
171.10237	7.1
179.05598	10.0
192.38029	2.4
207.27246	2.2
221.06458	2.8
225.14911	4.0
226.15276	2.7
235.08208	4.4
238.61583	2.4
265.90234	2.3
277.21713	49.6
278.22089	11.6
289.18091	100.0
290.18243	5.6
307.19070	7.5
325.18460	4.3
341.23346	29.1
342.23642	24.7
343.24249	10.4
379.12387	9.3
397.13474	54.7
398.13882	12.6
399.13760	3.0
415.14465	14.1
669.30878	6.3
675.36719	3.6
687.32007	11.4
688.32281	3.2
947.53510	6.5
1001.52435	48.5
1002.52808	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	1001.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	13.2
71.08557	0.9
71.08884	0.6
72.99296	0.9
73.02949	1.4
81.03448	1.1
83.01352	0.8
83.05003	0.7
85.02952	9.6
87.00884	3.7
89.02444	10.2
93.03436	0.5
95.01376	1.1
95.04970	0.6
96.95990	1.3
97.02943	2.8
97.06585	1.9
101.02446	10.3
113.02454	5.1
116.92860	1.1
119.03481	2.5
124.31150	0.6
125.02449	9.2
125.09718	1.4
127.11289	1.4
137.02357	0.6
137.09724	2.0
143.03473	1.7
155.10710	0.8
161.04576	1.9
165.01906	0.6
167.03511	1.7
167.10727	0.5
169.01398	3.5
171.10272	24.3
172.10637	0.8
177.01888	1.6
177.12729	0.6
179.05585	2.5
179.14391	1.1
183.13919	1.1
193.12395	0.5
195.13879	5.7
201.11304	1.1
209.11772	1.0
211.13411	9.4
221.06645	1.6
221.11887	1.2
223.13391	3.3
228.13705	0.7
229.14449	6.3
235.08167	2.3
239.12814	1.4
253.09312	1.1
275.20236	3.3
291.19705	3.6
293.21219	57.7
294.21490	3.2
309.20752	7.3
310.21140	1.4
327.21750	100.0
328.22028	7.1
397.13474	30.9
398.13876	1.6
399.13580	0.8
415.14545	19.9
416.14868	1.0
467.69247	0.6
603.42462	3.5
604.43170	0.8
691.35706	4.6
707.34991	6.5
725.35852	4.7
765.96912	0.7
772.18646	0.6
1001.56750	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5603
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	2.7
69.07079	0.8
69.20586	2.1
71.01355	0.5
71.04994	0.3
73.02923	2.4
79.05504	2.1
81.03421	1.3
81.07058	2.8
81.07472	0.3
83.04989	0.3
83.08627	0.3
84.21452	0.2
85.02908	4.0
85.03377	0.3
87.04493	0.4
88.72151	0.2
91.03959	2.5
91.05482	1.9
93.07050	2.4
95.05009	0.6
95.08619	1.8
97.02896	4.5
97.06609	0.2
97.10213	0.3
98.20668	0.4
99.04450	0.9
101.02377	1.5
103.03934	0.2
105.07028	1.1
107.08634	0.8
109.02871	0.5
109.10188	0.8
111.08208	0.2
115.03951	0.4
117.07097	0.3
119.08619	0.8
121.06506	0.3
121.10168	1.0
127.03904	1.2
131.08607	0.3
133.10146	0.7
133.35103	0.2
135.11723	0.8
145.05040	0.4
145.10197	0.4
147.11778	0.4
159.11826	0.2
161.13379	0.3
165.65195	0.2
185.04320	0.7
203.05302	1.0
243.08391	2.2
333.20355	1.5
335.25815	0.4
347.09457	2.3
363.09198	0.7
365.10745	0.7
389.23209	0.2
405.13693	5.6
439.19839	0.7
453.21460	0.6
453.83737	0.2
510.24997	0.2
519.29285	5.4
551.28430	2.7
597.58301	0.2
601.24689	0.5
664.24493	0.2
681.34570	6.3
713.33453	2.2
829.50903	0.9
893.48602	0.2
989.15924	0.2
991.56049	100.0
992.56409	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	1000.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52214	100.0
137.18954	60.0
142.74864	60.6
180.39021	73.7
195.90366	67.2
290.69977	71.2
301.29654	73.7
365.16568	71.9
424.78760	71.0
717.26886	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	2.6
69.07074	0.8
69.76774	0.8
69.77190	0.5
70.36882	0.2
70.80524	0.2
71.01366	0.4
71.04998	0.3
73.02915	3.3
79.05499	2.3
79.22297	0.2
79.60307	0.2
81.03423	1.4
81.07056	2.7
83.04991	0.3
83.08639	0.5
85.02907	4.9
91.03960	2.9
91.05480	2.0
93.07050	2.4
95.05003	0.6
95.08618	2.2
97.02898	4.9
97.10179	0.4
98.20817	0.4
99.04481	0.8
101.02375	1.3
103.03946	0.4
105.07030	1.3
107.08614	1.5
109.02914	0.8
109.10189	0.7
115.03944	0.4
117.07056	0.3
119.08616	0.6
121.06549	0.3
121.10115	1.1
123.11741	0.3
127.03899	1.1
131.08606	0.6
133.10204	0.5
135.11685	0.3
136.75861	0.2
142.91261	0.2
145.05017	0.7
145.10156	0.6
147.11761	0.4
159.11708	0.3
185.04204	0.5
203.05363	0.7
213.77397	0.2
235.84848	0.3
243.08371	2.0
243.10388	0.2
259.07990	0.4
264.01465	0.2
298.36276	0.2
333.20474	1.4
335.26093	0.3
347.09558	2.0
363.09161	0.8
365.10818	0.9
389.23248	0.3
405.13733	5.5
421.13394	0.4
439.19470	0.3
453.20337	0.3
465.20987	0.4
519.29309	5.0
520.30536	0.3
551.28448	1.8
627.26031	0.4
681.34698	6.5
682.35358	0.4
713.33423	1.9
829.50793	1.2
905.49445	0.4
991.56067	100.0
992.56494	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	989.5447
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	2.7
69.07082	1.1
69.94320	0.7
69.94717	0.4
71.01369	0.6
73.02924	2.4
79.05500	2.5
81.03013	0.3
81.03408	1.6
81.07060	3.4
81.07469	0.3
83.04972	0.3
83.08624	0.5
85.02911	4.6
87.04450	0.3
91.03954	2.5
91.05486	1.7
93.07049	2.4
94.07402	0.4
95.04989	0.4
95.08607	2.3
97.02894	5.0
97.10184	0.4
98.20844	0.4
99.04492	0.9
101.02392	1.4
105.07035	1.4
107.04951	0.4
107.08586	1.5
109.02897	0.6
109.10191	1.2
117.07043	0.4
119.08630	0.8
121.10181	1.0
125.09611	0.4
127.03936	1.7
131.08630	0.7
133.10182	0.6
135.11754	0.7
145.10219	0.3
145.94408	0.3
149.13235	0.3
159.11838	0.5
164.72638	0.2
172.11720	0.3
185.04276	0.8
203.05385	0.4
223.13409	0.6
243.08394	2.0
291.19650	0.6
331.18866	1.2
335.25992	1.0
336.26526	0.5
337.27222	0.5
347.09573	2.4
363.09311	0.6
365.10764	0.4
405.13660	5.5
405.18503	0.5
519.29309	4.3
519.36267	0.4
549.26697	2.2
550.27283	0.3
577.87109	0.3
605.26746	0.3
612.47644	0.6
622.70184	0.3
647.50958	0.4
665.51007	0.3
681.34570	6.3
711.32379	1.6
827.48859	0.6
863.95935	0.4
869.18414	0.3
923.89716	0.3
989.54498	100.0
990.54865	6.9
1016.09082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	3.2
69.06732	1.3
69.07076	12.1
69.33888	8.5
71.04970	1.9
71.26377	1.2
73.02909	3.8
73.10191	1.0
79.05499	32.6
81.03403	2.0
81.07060	34.0
83.04971	2.3
83.08624	6.9
85.02918	7.9
85.06540	1.7
85.71721	1.1
91.03970	5.6
91.05489	38.1
93.07044	32.6
95.04968	4.1
95.08611	30.1
96.62970	1.0
97.02901	4.9
97.06522	2.1
97.10149	2.5
103.05450	1.8
105.04471	1.7
105.07033	36.8
107.04972	3.9
107.08602	17.9
109.06538	2.3
109.10151	9.8
111.08094	2.7
115.05483	2.1
116.06240	1.7
117.07024	17.5
119.08595	25.4
121.10152	12.6
123.11691	3.5
125.09607	1.8
128.06230	3.5
129.07028	12.7
130.07784	1.4
131.08568	21.0
133.10136	17.8
134.77101	1.1
135.11699	8.8
136.06207	4.4
137.09660	1.2
141.06990	7.0
142.07744	3.5
143.08568	12.2
144.09346	2.0
145.04947	2.4
145.10121	20.4
147.08087	1.3
147.11694	11.9
149.13271	4.8
150.86929	1.1
154.07751	1.6
155.08585	10.0
157.10136	11.4
159.11702	14.3
161.13269	5.9
163.06010	4.1
163.11153	1.2
165.07130	1.5
167.08571	3.7
168.09378	1.4
169.10109	9.6
171.11678	12.3
172.51413	1.0
173.09705	1.3
173.13246	9.2
175.14825	4.2
177.78252	1.2
179.08485	2.1
181.10077	6.0
183.11674	11.0
185.13243	8.6
187.14793	3.5
189.16365	2.0
193.10188	2.5
195.11717	6.9
197.13287	9.2
199.14775	5.9
201.16475	2.9
207.11732	1.9
209.13287	4.6
211.14836	6.0
213.16408	3.9
215.17989	1.7
221.13295	2.4
223.14848	4.6
225.16368	3.5
227.18066	2.5
229.19511	2.0
231.17679	1.4
235.14819	1.4
237.16388	2.9
239.18005	3.3
249.16531	1.9
251.18040	2.5
253.19717	2.0
257.19214	2.3
259.20663	3.9
261.22043	1.3
277.19659	1.5
283.20822	1.3
295.20209	1.2
297.22073	1.8
311.23856	1.3
315.23352	1.5
325.25278	1.6
327.23352	1.4
333.24329	3.7
335.25919	2.5
337.25009	1.5
339.23062	1.3
351.26645	1.5
365.28546	1.7
377.28275	1.5
402.33218	1.2
407.29190	1.4
409.31329	1.7
435.32272	1.3
449.33707	1.6
461.34271	1.9
498.34171	1.2
499.39331	1.6
501.35645	2.7
517.40387	8.7
525.35620	1.3
535.41467	5.4
539.37140	2.5
553.38947	1.2
591.44299	8.5
607.43994	1.2
609.45148	100.0
610.45337	4.1
621.44812	2.1
626.63318	1.2
651.46295	2.5
699.45898	1.5
717.47687	2.0
735.47919	2.5
771.50684	7.8
987.50177	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6046
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	10.5
69.07069	25.3
69.07629	1.0
70.06568	0.8
70.08796	1.8
70.09189	2.4
71.04990	4.6
71.08620	1.3
73.02902	5.3
77.03910	3.7
78.04690	1.0
79.05494	89.8
81.03423	10.3
81.07057	96.7
82.42255	0.8
83.01381	0.8
83.04984	9.5
83.08623	14.9
85.02902	24.6
85.06540	3.9
87.04433	0.9
91.03967	10.4
91.05481	70.8
92.05800	0.9
93.07043	100.0
95.04971	12.6
95.08605	64.7
97.02892	16.3
97.06532	10.4
97.10163	4.6
98.09688	1.7
99.04441	2.9
99.08087	6.0
103.03947	1.1
103.05436	2.4
105.04491	3.2
105.07030	61.0
107.04928	3.5
107.08593	46.3
108.08894	0.9
109.02865	2.6
109.06541	6.6
109.10154	25.3
111.04452	1.6
111.08072	5.9
111.11717	2.0
113.09671	1.2
115.03944	1.7
115.05462	3.3
117.07011	24.2
118.07785	1.1
119.08583	44.2
121.06478	3.9
121.10146	34.2
123.04382	1.1
123.08070	4.7
123.11707	8.1
125.09612	3.0
127.03916	8.9
128.06186	2.7
129.05513	4.9
129.07008	10.7
130.07797	1.3
131.08568	35.9
133.06471	2.2
133.09108	1.8
133.10127	37.4
135.08061	3.0
135.10689	1.6
135.11691	24.2
137.09601	2.6
137.13257	1.1
139.11150	1.5
141.06941	2.0
142.07793	1.2
143.08542	8.8
145.04955	8.6
145.06119	1.1
145.06526	1.2
145.10118	25.1
147.08020	1.7
147.11693	28.4
149.09605	7.6
149.13260	17.7
151.11186	1.5
153.07034	1.0
155.08534	2.7
157.10130	9.7
159.11697	22.9
161.09555	2.6
161.13261	19.1
163.06042	4.8
163.11211	4.3
163.14810	4.0
165.12798	1.2
167.08565	1.1
168.65240	0.8
169.10132	3.2
171.11691	9.6
173.04480	1.9
173.09692	1.2
173.13251	14.2
175.11256	0.9
175.14796	5.5
177.12717	4.4
177.16347	1.1
179.14287	2.1
183.11700	3.7
185.13248	6.6
187.11218	1.3
187.14842	5.3
189.09117	1.1
189.12773	1.7
189.16391	2.1
194.10741	0.8
195.11931	1.2
195.13786	5.8
197.13242	3.0
199.14816	4.3
201.16353	3.5
203.18001	1.1
207.13881	1.0
209.13258	1.5
211.14879	2.0
213.16373	3.1
215.14249	1.0
215.17915	1.3
217.19496	1.3
221.13330	1.0
223.14937	1.0
225.16379	1.3
229.19469	2.1
231.21071	2.8
239.17873	2.8
241.17697	0.9
241.19595	10.6
243.12119	1.6
243.21077	4.6
246.96228	1.0
247.20633	1.1
257.19016	9.3
259.20557	30.4
261.14801	1.5
261.22137	13.2
269.17447	14.7
275.19977	12.4
277.21707	1.1
281.17407	1.3
303.16092	1.0
315.23193	3.0
317.24734	2.7
325.25250	1.3
331.22488	2.4
333.20444	1.5
333.24243	26.4
335.25812	93.1
336.26157	1.8
337.27267	3.2
349.23856	10.1
384.11862	0.9
413.21536	1.5
431.31946	1.1
489.35458	2.2
515.37146	1.8
517.09143	0.8
519.41779	2.9
529.38928	45.8
530.38562	1.6
537.43042	0.9
541.38739	3.5
569.42303	0.9
593.45587	6.7
609.45160	9.5
611.46741	42.8
612.47211	1.8
627.45728	1.9
673.43420	1.1
701.46503	1.2
719.47321	1.3
747.91522	0.9
755.50433	1.1
771.50928	0.9
788.57147	1.0
986.56549	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6046
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94762	1.0
69.03433	7.8
69.06737	1.8
69.07073	26.4
69.28777	8.5
71.01332	1.2
71.04977	4.6
71.08645	1.5
73.02903	3.5
77.03918	1.6
79.05497	68.0
81.03416	13.1
81.07060	93.4
83.04986	10.7
83.08615	13.7
85.02907	11.0
85.06542	3.0
87.04501	1.1
91.03953	5.0
91.04901	2.1
91.05485	55.3
93.07048	76.0
95.04964	11.5
95.08612	54.5
97.02892	9.7
97.06532	11.7
97.10175	10.5
98.21548	1.9
99.04444	1.7
99.08066	3.8
103.05456	1.7
105.04507	2.2
105.07034	39.2
107.04963	8.3
107.08596	47.8
109.02858	1.5
109.06505	6.4
109.10162	21.9
111.04402	1.3
111.08057	3.3
115.05463	1.8
116.06251	1.1
117.06229	1.7
117.07024	19.4
119.08584	27.0
121.06508	4.4
121.09333	2.0
121.10151	27.4
122.20464	1.1
123.04411	1.5
123.08057	4.7
123.11716	6.9
125.09605	5.1
127.03931	5.3
128.06261	1.3
129.05498	2.3
129.07016	6.5
130.07724	1.4
131.08568	25.9
133.10139	22.6
135.08041	3.5
135.11703	20.9
137.09616	3.9
137.13249	1.7
139.11133	2.0
141.06946	2.1
143.08580	6.6
144.17770	1.1
145.04976	2.2
145.06526	1.8
145.10130	19.4
147.08043	1.7
147.11720	12.5
149.09590	10.8
149.13263	13.4
151.11241	1.7
154.07707	1.1
155.08522	2.3
157.10107	3.8
159.08119	1.2
159.11691	14.6
161.09598	1.3
161.13268	5.6
163.11172	6.7
163.14790	3.3
169.10150	3.1
171.10280	1.2
171.11632	5.0
173.04422	3.4
173.13243	7.7
175.14815	2.0
177.12750	4.3
179.14250	1.4
181.12148	1.6
183.11679	3.2
185.13231	3.8
187.14822	3.0
189.11182	2.3
195.11813	1.5
195.13759	4.5
197.13307	2.1
199.14742	1.8
225.11156	1.1
227.12854	6.0
229.14293	2.3
229.19496	1.6
232.28030	1.1
239.17966	2.2
241.19452	1.3
243.21056	3.0
246.87213	1.1
247.20645	2.1
255.15848	6.4
257.19006	6.4
259.20596	3.5
261.22128	10.3
267.15924	1.8
269.17462	19.6
275.20071	28.6
290.76068	1.0
293.21078	3.5
306.26563	1.0
317.24698	3.3
331.22736	2.0
333.24298	2.0
335.25821	100.0
336.26086	3.6
343.25864	1.1
349.23776	28.9
367.24698	3.3
413.21887	1.7
423.32388	1.5
437.33652	2.4
489.35660	1.9
515.30450	1.7
515.37421	22.1
516.37085	1.8
529.38928	84.6
530.39417	6.0
545.37567	1.1
556.28436	1.1
569.41779	2.9
609.45190	46.3
610.44965	1.8
627.46130	13.0
651.45410	1.5
673.42700	2.2
683.17499	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	986.6051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	6.3
69.07069	25.9
71.04984	4.1
71.07073	2.2
71.08618	1.0
71.53220	0.9
73.02905	2.4
77.03908	1.5
79.05495	64.8
81.03428	7.5
81.07057	71.9
83.04986	6.7
83.08620	15.6
85.02902	11.1
85.06523	3.2
91.03949	4.2
91.04903	2.0
91.05479	50.5
93.07043	66.0
95.04973	12.1
95.08607	48.5
97.02911	6.8
97.06525	11.3
97.10178	14.8
99.08092	2.5
103.05441	2.5
105.04518	2.8
105.07032	44.9
107.04955	8.5
107.08599	47.9
109.02875	2.3
109.06506	4.9
109.10150	24.2
111.08098	5.3
115.05409	2.9
117.07011	15.8
119.08582	28.8
121.06486	2.7
121.09332	1.9
121.10145	25.9
123.08050	3.8
123.11716	8.1
125.09634	15.1
127.03899	2.8
128.06201	1.2
129.07018	5.8
129.91077	0.9
130.07756	2.0
131.08566	22.4
133.06491	1.1
133.10136	25.9
135.08072	4.4
135.11699	15.1
137.09619	2.3
137.13284	1.3
141.06998	1.9
143.08568	6.7
145.04974	2.0
145.06398	1.6
145.10129	23.5
147.11703	16.8
149.09618	14.0
149.13251	8.5
151.11183	2.2
154.07721	1.0
155.08521	3.0
157.10165	5.3
159.08060	1.3
159.11697	14.8
161.09605	2.2
161.13274	8.8
163.06070	1.1
163.11185	8.1
163.14844	2.5
165.12804	1.0
169.10095	3.0
171.10274	2.2
171.11693	6.1
173.11867	1.7
173.13235	8.2
175.11140	1.6
175.14807	3.5
177.12732	2.1
179.14297	3.2
183.11707	3.8
185.13245	3.6
187.11206	1.7
187.14821	3.8
189.11243	6.7
189.12657	1.3
197.13281	2.3
197.63162	1.1
199.14865	1.4
201.16357	2.3
207.67102	0.9
211.14839	2.0
213.16432	1.9
223.13164	2.3
227.12798	15.5
229.14354	4.0
229.19478	2.2
239.17970	3.5
241.19762	1.4
243.15952	1.2
243.21046	4.0
255.15848	2.6
257.19009	11.5
259.20551	3.4
261.22171	10.4
269.17578	7.1
275.20065	42.9
276.20569	1.2
277.21637	2.0
293.21075	5.6
317.24664	2.8
331.22690	3.8
333.24179	3.0
335.25812	100.0
336.26190	2.3
349.23734	40.3
350.24219	1.3
351.25357	1.3
367.24850	7.0
367.29227	1.6
389.17987	1.6
431.31555	2.1
487.34198	2.1
489.35873	4.9
505.35132	6.2
515.37152	4.4
517.40302	1.8
529.38861	15.4
530.38751	1.4
535.41437	1.3
546.41357	1.2
588.04193	1.0
609.45172	86.6
610.45526	4.9
627.36646	1.5
627.46185	20.1
689.29846	1.1
771.49335	1.9
950.95294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6053
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	4.8
69.07073	17.3
70.06538	0.7
70.95773	1.2
71.04954	2.2
73.02876	1.7
77.03911	0.9
79.05498	58.0
80.05804	0.7
81.03426	5.0
81.07062	51.4
83.04992	5.2
83.08624	16.9
85.02922	5.9
85.06503	2.5
87.04452	1.0
91.03904	1.7
91.05485	36.4
93.07051	46.5
95.04976	6.2
95.08614	32.3
97.02909	3.5
97.06021	0.5
97.06538	5.7
97.10176	27.8
99.04411	1.1
99.08081	1.0
103.05410	1.2
105.04473	1.7
105.07037	31.9
106.07278	0.7
107.04962	5.3
107.08601	57.4
107.84879	0.6
108.08880	0.9
109.02837	2.0
109.06529	3.3
109.10162	18.3
111.04472	0.6
111.08092	3.7
113.06004	1.1
115.05422	1.3
116.07076	0.7
117.06245	0.8
117.07018	10.2
119.06039	0.9
119.08595	19.9
121.06473	1.6
121.10152	19.0
123.08003	1.7
123.11704	5.4
125.09637	27.0
126.10052	0.5
127.03943	3.2
128.06212	1.1
129.06992	3.8
131.07625	0.8
131.08578	16.9
133.10147	18.6
135.08070	4.9
135.10713	0.6
135.11694	11.0
137.09589	1.2
137.13226	1.4
139.11113	0.7
139.31734	0.5
141.06961	0.9
143.08575	4.0
143.10632	0.9
145.04892	1.0
145.10133	17.7
147.07930	0.7
147.10696	0.8
147.11710	12.2
149.09615	7.3
149.13261	5.9
151.11188	0.6
153.09081	2.0
153.12793	0.7
155.08524	1.6
157.10135	4.5
159.08023	0.9
159.11702	10.3
161.09515	1.0
161.13260	5.7
163.06055	0.6
163.11145	2.0
163.14857	2.6
165.12784	0.7
169.10107	1.8
171.10165	2.3
171.11659	3.6
173.11803	1.2
173.13257	6.7
175.11215	0.9
175.14758	2.2
177.16350	0.9
179.14180	1.1
181.10072	0.7
181.12265	0.7
183.11732	2.6
185.13248	2.3
187.11133	0.7
187.13286	1.0
187.14799	3.2
189.11244	13.7
189.12784	0.6
189.16504	0.7
191.14442	0.6
197.13229	2.0
197.81387	0.5
199.14787	2.0
201.16345	1.4
208.44188	0.5
211.14975	0.8
213.16447	1.1
215.18021	1.3
217.15819	0.8
227.12787	32.1
229.19545	1.5
237.16255	0.6
239.18004	3.0
241.19464	1.6
243.15956	1.3
243.21097	2.9
245.13800	2.2
257.18988	8.4
259.20572	4.1
261.22168	11.5
275.20081	30.0
276.20404	0.9
277.21640	1.7
277.26920	0.6
291.19510	1.1
292.19794	0.7
303.22995	0.5
310.19620	0.6
315.23367	0.7
317.24728	2.4
331.22705	4.5
333.24249	3.5
335.25818	76.3
336.26154	2.8
337.27313	1.0
349.23755	37.0
350.24002	0.6
351.25473	2.8
367.25418	0.6
367.30099	1.8
383.33469	0.6
389.18121	2.3
408.62830	0.5
413.30777	0.7
423.32559	0.6
431.32056	0.9
487.34122	1.9
505.35281	14.8
507.34604	0.8
515.37433	1.6
517.40521	1.9
535.41498	2.6
591.44580	2.7
609.45166	100.0
610.45398	5.7
614.19495	0.7
625.44788	1.0
626.44757	1.0
627.46155	17.3
628.46875	0.8
631.38831	0.7
649.39545	4.2
986.59070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5891
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06734	1.2
69.07073	17.3
69.81876	5.1
71.04987	1.4
77.03921	1.0
79.05495	28.7
81.03404	3.8
81.07063	37.5
83.04971	3.8
83.08622	4.9
84.08136	4.3
85.06521	1.0
91.05486	49.3
93.07047	32.4
93.07636	1.4
95.01359	5.2
95.04963	7.4
95.08058	1.7
95.08616	21.5
97.06535	10.7
97.10207	1.3
98.20738	1.2
102.19999	0.9
103.05455	2.3
105.04570	1.8
105.07039	64.1
107.04970	9.8
107.08594	16.9
109.06515	3.7
109.10172	6.6
111.04463	1.4
111.08109	1.5
115.05530	0.9
117.07016	12.6
119.08588	36.5
121.06503	2.5
121.10168	8.5
123.04432	2.1
123.08073	3.3
123.11674	2.4
125.09602	1.5
128.06221	2.1
129.07040	5.5
130.08644	7.6
131.08571	20.5
133.06453	1.0
133.10141	37.9
134.13225	1.1
135.08057	3.4
135.11703	8.2
136.06215	2.2
137.09610	2.3
139.07585	1.0
141.06964	1.4
142.07784	1.5
143.08577	5.7
145.10146	15.8
146.08099	2.1
147.08128	1.3
147.11685	18.0
149.09636	2.9
149.13287	3.1
151.11198	1.9
155.08589	1.6
157.10100	4.3
157.20155	0.9
159.11699	11.7
160.12013	1.2
161.13280	11.5
163.11174	2.6
163.14833	1.1
169.10100	1.5
171.11726	6.7
173.13286	5.0
175.11197	1.8
175.14853	6.6
177.12749	3.4
179.14310	9.5
183.11740	1.4
185.13307	3.0
187.11232	2.7
187.14841	2.2
189.16493	1.0
197.13167	1.8
199.14801	1.7
211.14957	1.1
213.16278	1.3
215.18079	1.6
229.19374	1.7
231.21075	2.2
239.17958	1.2
241.19543	15.4
257.19049	4.9
259.18076	0.6
259.20590	22.4
275.20078	46.7
277.21625	1.5
279.15939	1.5
293.21152	3.7
297.22061	1.3
315.23233	9.1
333.24265	50.2
335.25912	1.2
339.71765	1.0
349.23752	44.0
350.23837	1.0
351.25378	1.7
412.90442	1.2
418.00641	1.1
471.31378	1.0
511.37875	1.3
513.35278	1.6
533.40094	1.8
551.41364	1.2
607.43597	100.0
608.35016	1.4
608.43805	6.6
625.44562	14.2
660.46613	1.4
674.65784	1.1
940.54425	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5891
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	6.2
69.07070	20.1
70.76168	1.1
71.04985	2.9
73.02924	1.2
77.03917	0.8
79.05493	40.6
81.03415	3.9
81.07055	55.2
83.04986	6.7
83.08614	9.7
85.02908	4.6
85.06544	2.9
91.03968	2.1
91.05479	38.6
93.07043	45.8
95.04964	9.8
95.08606	35.4
97.02889	7.2
97.06541	4.4
97.10174	7.5
99.04477	1.2
103.05440	1.1
105.04524	1.9
105.06314	1.4
105.07026	28.4
107.04965	6.1
107.07872	1.5
107.08595	28.9
109.02893	1.1
109.06504	5.2
109.10159	27.4
111.04442	1.1
111.08071	2.3
115.05446	1.3
117.07014	8.6
119.04969	1.0
119.08576	19.4
121.06502	4.7
121.10152	15.4
123.04458	1.2
123.08088	3.1
123.11697	5.4
125.06010	0.8
125.09649	5.8
127.03948	1.3
127.07540	1.2
129.06972	3.4
130.07762	0.8
131.08560	14.1
133.06514	3.8
133.10133	29.8
134.07306	1.0
134.69376	0.7
135.08067	5.2
135.11687	9.2
137.09666	2.3
139.07648	0.8
143.08549	4.3
145.06496	1.1
145.10129	10.3
147.08044	5.4
147.11696	6.5
149.09630	3.8
149.13261	5.2
150.12991	0.6
151.11179	11.2
153.12767	1.0
155.08627	0.8
157.06511	0.8
157.10164	5.1
159.08089	1.9
159.11671	6.0
161.09615	4.5
161.13234	5.0
163.06113	0.9
163.07686	0.8
163.11172	2.6
163.14883	2.4
165.09131	1.2
169.10104	1.5
169.12259	2.2
171.10378	0.7
171.11754	2.4
173.09796	1.0
173.13220	4.2
175.11255	2.8
175.14760	1.8
177.09131	2.0
177.12796	2.4
177.60417	0.7
179.10690	1.0
185.13261	1.7
187.11140	0.9
187.14854	1.3
189.11259	1.9
193.12219	1.9
195.13780	0.7
199.11137	0.8
199.14891	1.0
205.12350	0.9
215.12926	1.8
218.75731	0.7
223.13274	12.4
223.15140	1.0
227.12775	3.0
227.17981	1.0
243.21149	3.2
245.19051	2.6
249.14879	1.9
251.12749	1.4
253.14372	20.2
255.17538	1.1
257.19223	0.9
259.20584	1.7
261.22153	10.2
263.20197	2.2
267.70242	0.8
271.15485	0.8
273.18497	18.8
275.20132	1.4
291.19537	72.8
292.19894	1.6
309.20779	2.6
317.24860	3.9
335.25800	73.1
336.26282	2.3
347.22232	7.8
349.24066	1.0
365.23233	51.8
366.23593	1.1
383.24133	0.9
439.32254	1.2
513.35681	3.7
515.38129	0.8
527.37360	1.0
529.35345	2.7
531.36847	13.3
531.44220	1.1
545.38538	2.5
607.43646	7.0
625.44617	100.0
626.44769	6.7
643.45721	2.4
917.03583	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.589
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	6.8
69.07068	25.0
69.16995	6.5
69.17396	1.3
71.04948	2.5
71.08604	1.0
73.02879	1.3
79.05495	34.9
81.03423	6.2
81.07056	40.4
83.04972	3.5
83.08625	8.2
85.02911	5.9
85.06525	1.7
87.04428	1.0
91.03923	2.0
91.05482	24.4
93.07044	33.5
95.01309	1.0
95.04972	9.2
95.08607	27.3
97.02895	8.9
97.06525	4.1
97.10171	10.8
99.08105	1.3
103.05442	1.0
105.04458	1.2
105.07038	17.7
107.04951	6.9
107.08602	20.8
107.09309	0.8
109.02832	0.8
109.06533	4.8
109.10159	15.9
111.04412	1.0
111.08051	2.7
115.05392	1.2
117.06242	0.8
117.07014	8.9
119.04922	1.5
119.07832	1.2
119.08584	13.5
120.05733	0.7
121.06522	3.1
121.09362	0.9
121.10149	13.3
123.04400	1.0
123.08091	3.1
123.11701	3.7
125.09624	7.5
127.03883	2.0
127.07452	0.9
129.07031	4.0
130.07762	0.8
131.07777	0.9
131.08582	10.6
133.06493	3.1
133.10133	10.4
134.07256	1.6
135.08037	5.1
135.11700	7.4
137.09627	3.5
137.13234	0.7
139.11183	0.8
142.07756	0.8
143.08571	4.1
145.04994	1.2
145.06357	1.2
145.10141	7.3
147.08044	5.5
147.11681	5.9
149.09576	2.4
149.13274	4.0
151.11153	2.6
153.09100	0.8
157.10168	3.1
159.11674	5.7
161.09595	2.8
161.13220	2.3
162.10255	1.2
163.05984	0.8
163.11131	1.4
163.14786	1.5
165.09099	2.5
169.10077	1.0
169.12221	1.3
171.10188	1.4
171.11678	2.6
173.13269	3.1
175.11101	1.8
175.14804	1.1
177.12724	1.3
179.10609	0.7
183.11769	0.8
185.13185	1.8
187.14771	1.1
189.11227	3.8
189.12679	0.9
193.12274	1.4
195.13791	1.4
199.15021	0.7
201.12733	0.7
201.16422	0.6
211.13264	1.5
223.13286	13.0
227.12787	4.5
243.21013	2.9
245.19122	1.1
249.14838	4.3
253.14377	4.2
255.17351	1.7
259.20538	0.8
261.22113	7.4
263.20215	1.3
267.15970	1.3
273.18515	17.9
275.20016	1.8
291.19547	100.0
292.19919	2.6
309.20560	1.2
317.24863	2.1
323.19598	0.7
333.24149	1.1
335.25806	68.9
336.26190	1.3
347.22025	3.5
356.65009	1.0
365.23239	65.0
366.23532	1.5
462.14511	0.6
487.33896	0.8
509.28760	0.6
513.35455	1.2
527.37311	1.4
531.36713	1.3
545.38373	7.2
551.40930	1.1
607.43860	4.2
625.44647	87.2
626.44891	4.1
643.45441	1.3
985.56738	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5891
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	6.5
69.07074	20.1
71.04075	0.4
71.04958	1.6
73.02886	0.9
77.03876	0.6
79.05499	37.5
81.03423	4.1
81.07063	35.5
81.07755	0.7
83.04990	3.4
83.08617	8.1
85.02911	4.1
85.06527	1.2
91.03921	1.4
91.05486	23.2
93.07050	31.7
95.04472	0.6
95.04974	6.6
95.08614	27.8
97.02898	8.6
97.06533	2.7
97.10177	11.3
98.20638	0.8
99.08054	0.8
103.05456	1.1
105.04508	1.2
105.07041	14.9
107.04969	5.3
107.08600	18.9
108.05696	0.6
109.06504	2.9
109.10165	13.7
111.08086	2.6
115.05420	0.8
117.07025	7.7
119.04922	1.0
119.08590	13.4
121.06481	2.1
121.09361	0.8
121.10153	12.9
123.08052	2.9
123.11739	2.5
125.09624	7.6
127.03865	0.7
129.07030	3.1
130.07719	1.1
131.08580	10.6
133.06456	1.3
133.10138	8.3
134.07243	0.9
135.08083	3.0
135.11694	6.8
137.09598	1.4
137.13168	0.7
139.11131	0.6
142.07689	0.6
143.08591	3.0
143.10608	0.6
145.04892	0.7
145.09100	0.5
145.10153	7.4
147.08072	3.8
147.11694	4.8
149.09653	1.1
149.13255	4.6
151.11192	0.5
153.08948	0.6
153.12701	0.8
155.08476	0.6
157.10095	2.5
159.08067	0.9
159.11691	5.1
161.09583	1.8
161.13214	1.9
162.10439	0.7
163.11159	1.0
163.14859	1.2
165.09149	0.7
169.10057	0.9
171.10196	0.7
171.11659	1.1
173.13246	2.0
175.11159	2.3
175.14665	0.8
177.12669	1.0
183.11720	0.6
185.13283	0.9
187.14851	1.0
189.11256	2.9
193.12216	1.3
195.13860	0.7
199.11221	0.6
205.12242	1.6
211.13229	0.8
223.13298	16.4
227.12819	2.9
227.17963	0.7
243.20988	1.8
245.18971	0.9
249.14897	2.3
255.17386	1.2
261.22177	7.8
263.20157	0.7
267.16074	1.1
273.18515	10.2
275.20105	0.9
291.19565	86.5
292.19870	1.8
309.20398	0.8
317.24850	2.4
333.24298	0.9
335.25824	72.0
336.26166	2.3
347.22202	1.6
365.23245	44.5
366.23715	1.6
482.34012	0.6
527.37054	1.0
533.39880	0.7
545.38342	4.8
607.43384	2.4
625.44678	100.0
626.45074	6.1
689.42578	0.7
787.49719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	4.0
69.07063	12.2
69.40089	6.0
69.40515	6.5
71.04979	4.1
73.02912	1.6
77.03937	1.9
79.05496	46.6
81.03411	6.5
81.07063	50.9
83.04974	11.1
83.08624	6.4
85.02909	4.5
85.06548	3.8
89.80379	1.5
91.05484	43.5
93.06480	3.3
93.07047	48.8
95.04976	28.1
95.08614	37.3
95.09206	1.1
97.02917	5.4
97.06547	5.9
99.08103	1.9
103.05495	2.1
105.04520	2.2
105.07040	32.9
107.04962	31.2
107.08602	18.1
108.05689	1.6
109.02939	1.8
109.06529	18.5
109.10168	12.5
111.04441	4.3
112.05215	2.7
113.06022	4.6
115.05465	3.6
115.74496	1.4
117.07020	18.1
119.04925	2.9
119.08583	21.0
121.06519	7.7
121.10162	13.5
122.07294	9.5
123.04469	3.8
123.08054	3.6
123.11687	3.4
125.05981	2.1
127.04002	1.8
128.06232	5.4
129.05464	2.0
129.06993	8.1
131.08559	17.0
133.06517	11.1
133.10147	10.5
135.08080	7.9
135.11697	8.4
137.09615	2.8
141.07039	2.4
143.08577	7.6
145.06503	7.7
145.10136	12.5
147.08067	18.0
147.11694	5.0
148.08823	2.7
149.09650	3.9
149.13271	3.6
155.08524	3.0
157.10150	4.6
159.08096	3.8
159.11710	8.8
161.09671	14.1
161.13292	4.6
162.10364	3.3
163.07541	2.1
163.11250	3.9
165.09137	1.9
169.10143	4.3
171.11688	2.7
173.09589	2.9
173.13223	3.9
175.11172	5.6
177.12804	2.3
183.11859	1.7
185.13321	2.1
187.11256	4.3
187.14850	3.7
201.12729	1.6
203.14389	1.8
205.15851	3.5
207.13840	2.2
207.64024	1.6
213.12865	1.9
215.14383	4.6
233.15399	10.3
248.33084	1.6
249.15062	1.9
253.15773	1.9
271.17044	4.4
273.18445	7.7
276.56854	1.6
279.16037	2.8
289.17990	11.1
290.18808	9.3
291.19434	5.7
307.18991	5.5
325.20190	2.6
335.25830	78.7
347.22006	1.7
348.85818	1.9
363.21695	6.7
365.22986	2.2
381.22672	20.6
508.41141	3.0
567.39697	3.1
583.39905	4.7
595.40289	11.2
598.29889	1.6
607.43970	2.7
623.43164	12.8
624.43909	2.4
641.44153	100.0
642.44336	6.4
656.94659	1.7
751.15466	1.6
778.17053	1.7
919.37250	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.6318
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	1.8
69.07076	14.5
71.05019	1.5
71.08638	19.8
71.51273	1.6
72.53054	1.2
73.02924	2.0
79.05499	18.9
79.25147	1.1
81.03419	2.3
81.06586	2.5
81.07066	40.5
83.04999	4.2
83.08631	14.8
85.02908	3.8
85.06538	2.3
85.10194	11.9
89.06017	2.0
91.03984	3.3
91.05492	19.4
93.07056	16.5
95.04982	2.3
95.08614	27.1
97.02876	1.9
97.06529	4.7
97.10186	8.4
99.08127	1.3
101.06120	1.3
105.07037	15.7
107.04971	4.7
107.08606	16.7
109.06515	4.2
109.09473	2.6
109.10168	36.0
111.08102	2.4
115.61069	1.3
117.07047	6.0
119.08586	11.1
119.36756	1.4
121.06519	3.7
121.10124	5.9
123.08097	1.3
123.11743	6.4
125.09618	5.0
131.08586	8.3
133.10123	8.1
135.08067	2.4
135.11691	4.1
137.09576	3.0
145.10144	6.3
147.08067	1.5
147.11711	5.4
149.09618	5.5
149.13249	4.7
151.11154	1.6
155.10677	3.7
159.11699	5.2
161.13269	2.4
163.11185	3.4
173.11774	9.8
173.13123	2.2
175.11298	1.3
177.12721	2.0
189.11270	1.8
195.13840	1.9
227.12822	9.4
229.14372	47.6
239.23685	2.7
257.19092	4.2
257.24713	2.4
259.31036	1.2
264.39368	1.3
269.17487	17.3
275.20096	24.2
293.21042	4.3
313.27408	100.0
314.27878	1.8
331.22906	2.8
349.23773	22.5
367.24857	17.9
373.18851	1.6
413.21503	1.5
419.83472	1.4
424.98608	1.7
467.37393	38.3
468.37653	1.5
483.36627	1.6
507.40506	49.5
508.40057	1.7
549.36963	1.4
569.45435	2.3
587.46771	40.8
588.46899	2.5
605.47839	23.9
606.47455	1.6
665.25537	1.4
695.50439	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.6157
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	6.5
69.07074	44.0
71.05013	2.7
71.08636	27.6
71.51709	1.9
73.02920	3.1
79.05498	31.9
81.03427	8.2
81.06589	2.6
81.07064	52.3
83.04996	6.4
83.08619	20.8
85.02917	15.5
85.06543	3.4
85.10191	19.0
89.10677	1.3
91.03968	7.4
91.05485	34.9
93.07051	37.3
95.04978	10.0
95.08614	58.3
97.02886	9.5
97.06539	14.6
97.10184	10.7
101.24960	1.2
103.98268	1.4
105.07035	29.3
107.04981	11.2
107.08590	19.7
109.02892	2.7
109.06519	4.3
109.10167	33.9
111.08103	4.3
111.11744	1.7
113.09615	1.8
115.05510	2.0
117.07007	10.5
117.09086	1.6
119.08593	23.5
121.06496	3.7
121.10154	11.2
123.08067	5.0
123.11738	6.4
125.09644	5.4
127.03925	5.5
129.05499	3.0
129.07005	4.5
131.08559	13.7
133.06462	2.0
133.10143	18.4
135.08090	4.6
135.11688	7.7
137.09621	12.9
137.13199	1.3
143.08549	3.1
145.04985	4.2
145.06493	2.1
145.10124	13.2
147.08075	2.4
147.11691	8.9
149.09636	18.4
149.13266	3.2
151.11176	3.0
155.08501	1.4
155.10701	2.8
157.10109	2.8
159.08098	1.8
159.11676	10.4
161.09592	2.4
161.13277	7.9
163.11185	9.0
165.09065	2.0
169.10158	2.5
171.10204	2.5
171.11674	2.5
173.04436	1.4
173.11745	6.6
173.13307	6.1
175.11227	3.0
177.12747	2.5
179.14281	7.0
183.11777	2.3
185.13242	1.5
187.11140	3.0
189.11150	2.3
189.12737	2.0
195.13925	2.4
197.13246	2.2
199.14795	1.3
207.13834	1.8
220.80302	1.6
223.13362	3.0
227.12801	5.3
229.14360	8.2
229.19519	2.5
239.18097	2.2
239.23711	7.5
247.20628	5.7
253.14345	2.0
257.18976	7.7
257.24774	2.5
267.15955	2.2
273.18494	3.9
275.20090	44.1
276.20438	1.4
281.17416	1.9
291.19559	6.8
293.21136	4.8
311.14917	1.8
313.27377	100.0
314.27756	1.5
321.01474	1.3
331.22537	2.9
349.23746	71.2
365.23138	4.9
373.18912	1.8
383.24292	2.4
409.33237	9.4
467.37347	42.5
481.38779	5.8
491.41321	10.5
507.40265	5.3
535.39337	1.6
569.45514	1.7
587.46722	76.5
588.46637	4.1
603.45953	4.3
605.47913	13.7
606.48340	1.6
730.25653	1.6
896.76508	1.5
916.32892	1.4
980.61292	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	980.616
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	4.2
69.07063	16.5
71.04974	2.0
71.08631	19.1
73.02928	2.9
79.05494	33.1
81.03413	9.8
81.07057	69.5
83.04981	12.0
83.08155	1.7
83.08626	23.9
85.02915	9.0
85.10180	15.8
87.04420	1.8
89.06028	5.2
91.03975	2.4
91.05476	23.8
93.07043	23.1
94.04182	1.4
95.04974	17.1
95.08610	30.6
97.02892	3.8
97.06528	8.7
97.10176	29.0
99.08149	1.5
105.07035	19.0
107.04971	9.6
107.06271	1.3
107.08604	21.7
109.06513	9.1
109.10161	17.2
111.04440	12.8
111.08095	6.6
111.11718	1.6
115.05453	1.4
117.07005	10.8
119.08579	23.0
121.06550	8.6
121.10154	11.2
123.04363	1.4
123.08076	21.6
123.11709	2.5
124.08419	1.3
125.09637	23.1
126.76244	1.2
127.03943	1.6
129.07025	5.8
131.08574	12.2
133.06459	2.9
133.08589	2.6
133.10156	9.7
135.08040	8.8
135.11684	6.8
137.09616	5.4
140.23236	1.2
143.08577	5.9
145.10139	13.1
147.08051	9.7
147.11714	6.3
149.09604	6.2
149.13277	3.0
151.11188	1.4
153.09084	3.1
153.12759	6.7
155.08575	2.9
157.10124	5.9
159.08069	1.6
159.11694	4.5
161.08478	1.4
161.09567	7.3
163.11160	15.6
165.09155	3.1
169.10017	1.3
171.10271	2.2
171.11696	5.4
173.09630	4.0
175.11232	4.4
177.12769	2.1
179.10683	1.5
181.12250	6.6
183.10159	1.9
185.13293	1.4
189.09544	2.2
189.11218	17.6
189.12767	2.4
191.10677	4.5
193.12228	4.2
195.11732	1.4
199.11287	1.9
205.12288	1.4
223.13300	5.4
227.12749	20.0
245.18993	3.6
249.14893	1.4
255.17554	2.2
257.24670	2.0
273.18500	34.9
283.15417	4.5
291.19559	92.3
309.20633	17.7
313.27383	100.0
314.27759	3.0
347.22208	9.7
365.23285	48.1
365.27960	2.4
383.24304	33.6
402.86096	1.3
444.17331	1.3
483.36816	1.6
539.39142	2.6
585.45160	6.7
603.46216	74.1
604.46637	1.4
621.47278	71.9
622.47675	2.0
899.28992	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.6157
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	7.7
69.06730	3.7
69.07075	51.1
71.04989	6.1
71.08635	29.7
71.51513	2.3
71.51917	3.8
73.02912	4.5
75.72356	2.5
78.20767	2.4
79.05496	34.2
81.03423	12.8
81.07056	66.3
83.04987	6.0
83.08619	21.0
85.02914	18.6
85.06535	3.7
85.10187	19.7
85.82846	2.6
86.06715	2.5
91.03935	9.1
91.05481	42.4
93.07054	39.7
95.04965	10.4
95.08607	65.1
97.02906	13.2
97.06530	13.7
97.10166	12.5
102.68588	2.4
105.07030	27.1
107.04962	6.5
107.08598	25.2
109.06488	4.9
109.10165	33.3
109.50374	2.8
111.08125	4.2
111.11672	2.5
117.07005	12.5
119.08582	26.0
121.06469	4.1
121.10146	13.4
123.08064	7.7
123.11686	7.3
125.09628	6.7
127.03905	4.7
129.05449	2.9
129.07028	5.5
131.08578	16.5
133.10117	16.4
135.08034	4.9
135.11694	8.8
137.09624	10.6
141.06958	2.7
145.04935	3.8
145.10110	10.9
147.11691	10.2
149.09599	17.5
149.13248	3.4
151.11218	3.9
157.10117	6.3
159.11700	8.8
161.09654	5.8
161.13226	6.3
162.76312	2.6
163.11191	15.9
171.11732	4.9
173.11742	6.5
173.13217	4.1
179.14354	6.6
185.13284	4.7
187.13330	3.3
189.11205	3.7
227.12733	6.7
229.14369	4.7
229.19627	3.0
239.17897	3.9
239.23711	6.7
255.15868	5.5
257.19009	10.2
267.15970	7.6
273.18555	5.6
275.20087	38.1
291.19708	13.4
293.21158	7.1
311.30646	2.7
313.27399	100.0
349.23740	65.4
365.23352	4.9
409.33096	11.7
467.37344	36.8
481.38953	9.8
491.40991	7.4
493.38681	5.5
507.40408	6.5
515.02289	3.1
548.92181	3.4
587.46686	78.2
588.47205	3.7
605.47479	16.7
841.72998	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	980.6151
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	8.4
69.07070	20.5
71.01342	3.3
71.04981	6.3
71.08636	21.7
71.51491	1.9
71.51958	1.9
73.02901	2.4
79.05497	37.6
81.03412	16.4
81.06590	4.0
81.07054	63.0
83.04980	10.1
83.08623	22.8
85.02917	14.8
85.06542	6.4
85.10175	18.3
86.82253	1.9
91.03963	6.3
91.05482	33.5
93.07046	34.8
95.04963	13.9
95.08613	45.6
97.02893	12.9
97.06532	8.3
97.10207	9.1
99.08079	2.4
105.04554	1.8
105.07034	22.0
107.04929	4.4
107.08598	21.4
109.02907	2.1
109.06512	6.0
109.10146	17.9
111.04420	2.6
111.08109	2.9
111.11746	3.2
117.07013	8.5
119.08588	16.0
121.06496	4.9
121.10187	8.5
123.08043	11.6
123.11710	7.4
125.09655	2.7
127.03913	5.0
129.05519	3.4
129.07037	3.3
130.01878	2.1
131.08563	9.6
133.10118	16.2
135.08035	4.9
135.11684	18.9
137.09604	2.3
145.04950	3.3
145.10126	8.2
147.11684	6.7
149.09641	4.5
149.13216	3.0
151.11180	5.2
157.10091	3.3
159.11742	4.3
161.09648	1.9
163.11189	5.9
165.12767	3.4
173.04478	2.2
173.13237	3.1
174.80319	1.6
175.11197	3.5
181.12230	5.2
187.13287	2.7
193.12201	4.9
211.13272	3.2
239.23705	6.4
243.15858	10.7
253.14420	4.0
255.15898	27.0
257.19000	2.3
257.24670	2.4
267.16010	10.7
269.17490	4.4
273.18414	4.1
275.20099	6.2
285.16940	8.5
291.19427	8.9
313.27359	100.0
314.27872	2.4
349.23727	4.5
365.23111	2.8
398.13541	1.8
467.37476	4.1
481.38898	29.6
493.38882	24.8
505.38525	3.6
506.39722	6.4
507.40482	10.4
523.39581	8.0
587.46521	10.4
603.46631	2.9
631.27148	2.0
857.01648	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.6163
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	7.4
69.07073	40.0
69.31151	6.7
69.31561	2.8
71.01363	2.0
71.04987	3.6
71.08636	24.7
73.02911	4.8
77.03925	1.2
79.05500	32.0
81.03422	7.9
81.07059	52.2
82.07402	1.4
83.04984	4.2
83.08618	16.5
85.02900	12.6
85.06535	2.4
85.10181	14.7
89.06046	1.5
91.03960	5.2
91.05487	32.9
93.07048	29.3
95.04978	8.6
95.08611	48.7
97.02895	10.1
97.06546	13.3
97.10176	11.5
98.20708	2.3
98.90767	1.1
99.04400	1.1
101.03265	1.2
103.05446	1.9
105.07046	26.1
107.04962	8.2
107.08611	17.9
107.71890	1.2
109.02897	4.2
109.06516	3.9
109.10161	30.9
111.04459	1.8
111.08092	4.2
111.11702	2.1
117.06995	10.4
119.08597	21.8
121.06522	3.3
121.10155	10.3
123.08103	6.6
123.11696	6.2
125.09618	4.5
127.03925	6.2
127.62213	1.2
129.05473	2.1
129.07014	4.1
131.08574	12.0
133.06500	2.3
133.10144	13.3
135.08092	2.2
135.11694	7.1
137.09631	10.4
137.13306	1.5
139.07535	1.6
143.08554	3.2
145.04982	3.5
145.06502	1.6
145.10127	10.2
147.08037	2.7
147.11694	9.7
149.09637	16.2
149.13240	3.9
151.11189	3.2
151.14699	1.2
155.08466	1.5
155.10646	1.6
157.10161	3.7
159.11714	9.1
161.09648	1.5
161.13260	5.5
163.11226	7.6
169.10077	2.8
171.11713	2.6
173.04449	1.5
173.11737	6.5
173.13281	5.3
175.11191	3.0
177.12779	3.4
179.14380	6.7
183.11737	2.1
187.11209	1.5
189.11223	2.3
193.12192	1.8
201.12709	1.6
215.14342	1.7
223.13255	1.6
227.12750	3.9
229.14349	7.8
229.19653	1.6
239.17934	2.1
239.23688	6.5
247.20615	5.1
253.14461	2.7
253.18015	1.3
255.15791	1.7
257.16690	1.3
257.19016	9.2
257.24698	2.7
273.18475	3.3
275.20093	34.9
291.19614	8.0
293.21164	4.7
313.27390	100.0
314.27533	1.5
321.24231	2.5
331.22543	2.6
341.26721	1.4
349.23764	65.1
350.23880	1.8
365.23294	4.7
370.07977	1.4
383.24152	2.3
409.33160	11.3
467.37390	36.9
481.38934	8.4
491.41037	9.8
493.38696	3.5
507.40558	6.9
515.61200	1.3
523.39197	1.4
535.39948	1.9
559.47021	1.6
587.46753	69.1
588.47028	1.9
603.45996	3.8
605.47784	15.1
984.74939	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04942	4.8
69.03336	2.8
69.06975	2.8
69.07372	0.8
70.06502	15.1
70.06925	1.9
71.04913	0.9
73.02818	2.1
79.05394	13.1
79.05904	1.4
80.04903	2.0
80.05338	0.7
81.03309	1.9
81.06956	13.1
81.07463	1.3
82.06483	0.9
83.04910	0.8
83.08504	1.4
84.08080	0.9
85.02798	3.3
85.06474	0.6
86.06012	0.5
91.03863	1.5
91.05378	11.1
93.05729	0.8
93.06939	11.6
93.07558	0.8
94.06457	1.9
95.04855	1.9
95.08496	8.2
96.04402	0.5
96.08021	1.9
97.02786	3.4
97.06441	0.8
97.10126	0.5
98.05975	0.8
100.07513	5.4
101.02287	0.7
105.04454	0.5
105.07037	6.9
106.06562	5.4
107.04910	0.5
107.08602	5.2
108.08121	4.2
109.06406	1.0
109.10142	2.6
110.09600	0.7
114.05544	11.4
115.05393	0.7
116.06989	1.5
117.05668	0.5
117.07016	3.6
118.06566	2.2
119.07241	1.0
119.08566	3.7
120.08112	8.3
121.06388	1.8
121.08803	0.8
121.10135	3.5
122.09684	2.4
127.03862	0.8
128.07089	5.3
129.06877	1.1
131.08560	4.2
132.08102	2.5
133.08777	1.0
133.10002	1.8
134.09662	13.7
135.10304	1.6
135.11571	1.5
136.07486	0.6
136.11240	2.5
140.06952	1.5
143.08485	0.5
145.09990	1.6
145.11076	0.5
146.09644	3.0
147.11586	1.3
148.07458	0.6
148.11212	7.7
149.13141	0.7
150.08916	0.6
150.12679	0.5
152.07010	0.5
152.10568	0.8
154.08646	3.5
159.11661	0.6
160.11066	0.8
161.13167	0.9
162.12747	1.0
164.07082	10.2
166.08502	1.6
168.06435	0.6
171.11600	1.0
173.13161	1.6
176.10732	0.5
177.07748	2.0
178.08643	4.9
179.09311	0.9
180.10205	21.2
188.15993	0.5
190.08487	1.3
191.14215	1.2
192.10066	1.3
193.10843	0.6
194.08014	2.0
194.11610	1.9
206.11678	1.2
230.18843	1.2
232.20578	0.6
233.15140	0.5
258.18542	5.9
260.20108	2.2
265.18045	0.7
274.18057	1.1
276.19598	21.4
278.21136	3.9
286.17828	1.2
293.34433	0.4
302.17529	4.1
304.19092	50.8
305.19427	0.9
306.20715	0.8
316.22711	1.3
320.18515	0.5
322.20142	25.7
323.20361	0.5
334.23788	7.5
335.25720	2.5
350.23245	1.8
352.24655	0.5
360.21725	0.6
378.22748	8.0
394.21994	0.6
396.23843	35.0
397.24277	0.7
558.29382	0.7
594.45172	4.9
610.44623	1.6
612.46570	0.7
638.44171	4.9
656.45221	78.3
657.45270	3.8
818.50507	82.9
819.50653	3.4
980.55811	100.0
981.56146	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	980.559
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05029	6.4
69.03444	3.0
69.07069	3.3
70.06596	17.5
71.05013	1.0
73.02927	2.0
79.05494	13.4
80.05025	2.9
81.03437	2.5
81.07063	15.1
82.06600	0.9
83.04971	0.7
83.08649	1.8
84.08152	1.5
85.02922	2.9
85.06580	0.6
91.03976	1.2
91.05487	11.8
93.05804	1.5
93.07046	12.5
94.06591	2.7
95.04975	2.3
95.08614	8.8
95.09149	0.7
96.08141	1.2
97.02909	3.6
97.06554	1.0
98.06076	0.9
100.07614	4.2
105.07030	6.7
106.06571	4.5
107.07422	0.8
107.08598	6.5
108.08168	2.8
109.10179	2.2
114.05541	10.8
115.05417	0.9
116.07159	1.2
117.05764	0.7
117.07033	3.6
118.06582	2.7
119.08572	3.6
120.08116	8.2
121.06484	1.0
121.10199	2.6
122.09693	1.8
128.07051	4.8
129.07021	1.1
131.08583	4.4
132.08110	3.1
133.08936	1.5
133.10213	2.0
134.09663	12.6
135.08017	0.7
135.10495	2.2
135.11717	1.1
136.07578	1.5
136.11263	2.4
140.07149	0.8
143.08607	1.0
144.86064	0.7
145.10167	1.8
146.09691	2.8
147.10556	1.0
147.11729	1.5
148.07704	0.7
148.11223	5.7
149.09656	0.7
149.12073	0.8
149.13269	0.9
152.10741	1.1
154.08644	4.1
160.11250	1.4
163.11264	1.1
164.07079	10.1
166.08704	1.8
168.06625	0.8
171.11790	1.1
173.13287	1.6
177.07909	1.6
178.08638	5.6
179.09413	1.4
180.10216	18.2
180.11697	1.2
190.08626	0.6
191.14333	1.6
192.10309	1.2
192.63712	0.7
193.11024	1.4
194.08231	2.6
194.11897	2.4
204.10243	0.7
206.11823	1.2
230.19020	1.4
232.20732	1.5
248.16463	0.7
258.18539	5.3
260.20251	2.2
265.18039	0.8
276.19586	18.7
278.21231	5.2
302.17740	3.1
304.19083	53.7
305.19473	1.4
316.22867	1.7
322.12012	0.8
322.20126	22.1
334.23737	9.5
335.26050	1.3
350.23398	1.2
378.22736	8.5
396.23831	18.6
594.45203	4.2
610.45197	1.3
638.43994	4.4
642.27148	0.7
656.45233	80.6
657.45599	3.8
690.03687	0.7
818.38531	1.1
818.50470	83.7
819.50500	5.5
980.55811	100.0
981.56122	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	973.5498
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	2.3
69.07069	0.6
71.05000	0.8
71.51746	1.0
73.02928	2.7
79.05508	2.1
81.03447	1.4
81.07057	2.3
85.02903	4.1
90.96007	0.6
91.03975	2.4
91.05489	1.1
93.07066	2.3
95.04992	0.9
95.08630	1.8
97.02895	3.3
97.10172	0.6
99.04464	0.6
101.02428	1.3
105.07053	1.2
107.08646	0.7
109.10166	0.7
117.07013	0.8
119.08609	1.1
121.10165	0.9
127.03983	1.3
131.08601	0.8
135.11710	0.6
148.55174	0.6
167.09373	0.9
185.41515	0.7
199.71645	0.6
243.08514	1.3
315.19507	2.3
347.09662	1.4
405.13794	4.4
519.29230	4.8
533.27002	3.9
681.34540	6.3
695.32642	2.6
917.93115	0.7
962.88739	0.8
973.54987	100.0
974.55164	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	970.6131
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	4.9
69.07072	14.4
71.01405	0.9
71.05003	2.4
71.51806	1.2
73.02917	3.7
77.63321	1.1
79.05499	41.3
80.05865	1.3
81.03426	3.5
81.07061	57.5
82.07385	0.9
83.04998	3.0
83.08624	9.1
85.02911	12.6
85.06562	2.8
91.03963	6.0
91.05489	35.9
93.07050	52.1
94.07361	1.4
94.95982	1.0
95.04967	5.9
95.08613	45.0
97.02895	8.1
97.06557	4.0
97.10184	2.9
99.08115	2.8
101.02412	1.0
105.04545	2.4
105.07040	32.6
107.04958	1.1
107.08601	28.3
107.09303	2.0
109.02934	1.4
109.06541	3.2
109.10168	19.5
111.08128	2.7
111.11763	1.1
115.05470	1.2
117.07021	12.5
119.08591	25.4
121.06520	2.1
121.10151	24.6
123.08093	1.8
123.11690	4.6
125.09698	1.8
127.03935	3.4
128.06305	1.4
129.07025	3.7
131.08578	19.2
133.10139	18.4
135.11691	13.9
137.09653	1.9
141.07031	1.5
143.08527	4.8
145.05011	2.3
145.10124	15.7
147.11708	17.2
149.09695	2.1
149.13266	9.5
151.11247	1.9
157.10168	4.3
159.11719	11.6
161.13284	9.9
163.06090	1.6
163.11273	1.8
163.14893	3.0
171.11787	4.0
173.13307	7.1
174.13733	1.0
175.14940	3.5
179.14359	2.2
184.12543	1.1
185.04373	1.2
185.13336	4.3
187.13408	1.1
187.14891	4.5
190.42751	1.1
197.13429	1.3
199.14903	2.1
201.16429	2.1
203.14375	1.7
205.16013	2.0
215.18069	1.2
219.17404	1.5
231.21277	1.1
239.18222	1.1
241.19632	7.5
243.21057	2.1
257.19052	2.7
259.20593	16.9
261.22211	7.2
275.20221	1.9
277.21643	14.2
317.24850	1.6
333.24216	14.2
335.25827	88.6
336.26205	2.9
347.09406	1.3
349.24042	1.4
351.25287	28.0
351.29565	1.5
352.26089	1.0
365.28464	1.2
405.13901	2.5
406.14191	1.4
421.26083	2.7
439.19009	1.5
497.30725	1.8
498.31403	2.4
519.42181	1.8
529.39288	2.7
551.28247	2.3
552.28680	1.5
557.42261	2.0
571.43665	1.5
593.46075	3.8
611.46729	44.2
612.47211	2.6
633.11212	1.3
641.30188	1.2
660.37036	1.7
713.33368	1.3
714.34363	3.5
737.49554	1.5
969.57141	1.1
970.57990	100.0
971.58368	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	970.6102
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.4
69.07072	22.2
71.05000	3.8
73.02924	4.6
79.05496	94.9
81.03419	4.3
81.07061	88.7
83.04984	4.1
83.08617	16.3
84.08147	3.0
85.02509	1.8
85.02913	20.2
85.06529	2.2
91.03949	12.9
91.05484	83.6
93.07049	100.0
95.04982	9.1
95.08609	74.0
95.47838	1.6
97.02876	11.1
97.06532	6.6
97.10158	5.7
99.08073	2.8
103.05474	3.5
105.04521	3.8
105.07039	78.6
107.04965	2.8
107.08600	50.1
109.06525	3.6
109.10159	31.2
111.08078	4.0
113.11002	1.8
115.03938	1.9
115.05424	2.4
117.07004	28.9
119.08585	68.6
121.10151	42.0
123.08067	2.5
123.11721	9.2
125.09698	2.8
127.03912	5.4
128.06224	3.8
129.07005	17.9
130.07779	2.8
130.76700	1.8
131.08569	35.7
133.10141	50.8
135.08087	3.8
135.11700	26.1
141.06964	3.2
142.07780	3.3
143.08571	13.9
145.04961	7.3
145.10130	33.8
147.11690	44.0
149.09595	3.8
149.13277	18.3
155.08562	4.2
156.09329	1.9
157.10179	13.3
159.11711	26.3
161.13235	30.0
163.06013	10.1
163.11183	2.0
163.14832	4.9
169.10126	6.4
171.11688	14.4
173.13252	16.8
175.14827	13.1
177.12701	1.9
183.11685	5.4
185.13252	11.6
187.14842	6.2
189.16359	2.4
191.14267	2.5
197.13232	5.0
199.14859	8.3
201.16405	2.9
211.14879	2.5
213.16374	4.8
215.17975	2.2
231.21034	4.7
239.17917	2.6
241.19565	28.6
243.21086	5.4
257.19113	9.3
259.20578	70.5
261.22113	12.4
285.22092	2.5
315.23236	3.9
331.22610	2.9
333.24246	57.9
335.25824	89.3
337.27603	8.8
339.26672	2.2
351.25317	2.1
385.23364	2.3
391.69830	1.9
441.26334	2.2
450.50824	1.8
489.35654	2.4
519.42096	6.1
529.37799	2.3
530.82458	2.2
537.43048	3.0
541.38940	2.1
593.45715	15.5
611.46735	88.5
612.46497	4.5
701.47113	4.7
737.49567	2.5
755.50751	5.1
784.68848	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5758
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	3.1
69.03440	2.5
69.07075	0.8
70.01234	0.9
70.01625	1.7
71.08636	1.4
73.02924	2.1
74.61442	0.5
79.05511	1.9
81.03416	1.7
81.07059	4.1
83.04995	0.6
83.08600	0.7
85.02908	4.1
91.03968	2.1
91.05501	2.4
93.07038	2.6
95.08625	1.7
97.02908	4.4
97.10130	0.6
98.21538	0.5
99.04470	0.8
101.02411	1.7
105.07056	1.5
107.08601	1.4
109.10176	1.6
116.36954	0.5
117.06980	0.8
119.08568	1.1
121.10190	0.5
123.11740	0.6
127.03936	1.4
131.08585	0.6
133.10173	1.2
135.11716	0.9
145.10153	0.6
175.38370	0.6
185.04349	1.1
243.08524	2.4
313.27466	1.0
333.20496	1.1
334.27646	0.6
347.09824	2.6
365.10684	1.0
405.13620	4.9
439.19565	1.4
453.21213	2.2
497.30960	3.5
551.28259	4.0
600.98633	0.5
615.25562	0.6
659.36084	3.6
713.33795	5.4
783.15027	0.7
807.52802	1.0
871.50348	0.9
969.57611	100.0
970.57532	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	967.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	61.2
69.03412	1.9
69.07077	10.5
69.64949	7.4
71.04969	2.0
71.46799	1.1
79.05495	40.8
81.03416	4.1
81.07058	51.6
83.04974	3.9
83.08605	4.4
84.08134	3.5
85.02919	1.5
85.06537	10.1
85.40776	1.2
91.04912	1.4
91.05479	29.8
93.07043	35.8
93.07640	2.1
95.04971	53.2
95.08607	29.2
97.06541	5.4
97.10149	1.7
98.21192	4.2
103.05495	1.3
105.07039	23.4
107.04956	8.2
107.08598	21.0
109.06523	54.1
109.10170	9.9
111.08090	2.7
111.21564	1.1
113.06009	24.7
115.05511	1.6
117.07019	11.3
118.74087	1.0
119.08585	12.7
120.89473	1.2
121.06509	4.1
121.10121	12.0
123.08070	3.9
123.11690	2.5
128.06264	2.7
129.06967	6.0
130.08624	6.0
131.08556	16.8
133.06506	3.3
133.10127	9.3
135.08061	42.1
135.11705	8.8
137.06009	1.4
143.08556	6.8
145.06403	1.1
145.10112	13.3
147.08070	6.2
147.11665	5.4
149.09669	5.7
149.13248	3.6
157.10138	4.6
159.08061	2.0
159.11674	5.9
161.09593	6.5
161.13258	2.8
163.11192	3.2
169.10194	1.8
171.11674	3.8
171.86678	1.1
173.13295	2.3
175.11197	1.6
177.12697	3.0
183.11639	1.2
185.09558	1.4
185.13222	1.5
187.11247	1.7
187.14775	2.0
189.12778	1.4
195.13818	1.7
199.14833	3.0
201.12891	1.2
217.15881	11.0
233.15349	2.1
237.16396	1.8
245.19046	2.9
255.17589	2.7
261.22238	2.0
267.87543	1.2
273.18515	31.0
291.19543	87.1
292.19897	4.0
309.20676	2.3
333.24295	1.5
335.25818	87.7
336.26263	3.6
347.22128	9.7
365.23245	17.6
567.40326	3.0
607.43463	19.9
625.44684	100.0
626.44733	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	968.5943
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	18.8
69.03425	0.9
69.07074	10.5
71.05010	0.8
71.06485	0.7
71.06828	0.9
74.41228	0.5
79.05498	18.6
81.03437	3.0
81.07063	26.5
83.04993	2.5
83.08630	3.4
85.02905	1.1
85.06547	0.8
91.05489	21.2
93.07047	17.9
93.07639	0.9
95.01332	3.5
95.04962	3.0
95.08611	17.1
97.02892	0.8
97.06541	8.5
97.10188	1.7
99.08131	0.9
103.05489	1.2
105.04563	0.8
105.07037	30.2
106.07387	0.8
107.04984	4.6
107.08591	8.7
107.62787	0.4
109.06533	1.9
109.10167	5.3
111.08103	1.0
115.05468	0.5
117.07006	5.6
119.08586	13.7
121.06532	0.7
121.10161	5.5
123.04503	0.6
123.08066	1.4
123.11737	1.2
125.09664	0.5
129.07076	0.9
130.07779	0.5
131.08588	10.0
133.10146	17.3
135.08072	1.8
135.11684	3.2
137.09615	0.9
143.08594	1.6
145.06546	0.9
145.10130	7.5
147.11696	6.9
149.09601	2.2
149.13297	2.3
151.11203	0.5
155.08609	0.7
157.10139	1.0
159.11705	3.7
161.13290	1.8
163.11208	1.4
165.09119	1.1
169.10150	1.3
171.11732	0.8
173.13318	1.4
177.12805	1.0
179.14322	5.5
183.11734	0.8
185.13222	0.5
187.11203	1.2
190.50636	0.5
197.13353	0.8
219.17497	1.8
239.18016	0.9
257.19083	2.3
261.22327	0.6
275.20081	30.0
276.20624	0.5
279.15988	0.5
293.21234	1.2
317.24744	0.5
335.25824	27.0
336.25909	0.5
349.23737	17.6
577.84113	0.5
609.45172	100.0
610.45422	6.4
627.46484	0.9
784.73151	0.5
947.54413	0.5
968.56873	0.5
969.57526	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6203
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	42.3
69.03428	6.6
69.07071	19.7
71.04986	3.3
71.08633	20.5
71.51817	1.8
72.70303	0.9
73.02914	4.6
75.63636	0.9
75.89452	1.1
77.03899	1.6
79.05492	33.5
81.03413	8.1
81.07056	48.1
83.04977	8.5
83.08620	15.4
85.02431	1.4
85.02901	17.3
85.06522	3.5
85.10187	14.0
87.04470	1.4
89.06007	1.3
91.03959	10.2
91.05478	36.8
93.07047	33.0
95.04977	5.6
95.08606	35.9
97.02888	11.8
97.06521	7.4
97.10159	6.4
99.04444	2.1
99.08102	3.4
101.02370	1.2
101.83334	1.0
103.07613	1.5
105.04522	1.3
105.07030	34.9
107.04964	3.0
107.08594	19.8
109.06501	2.7
109.10149	16.5
111.04441	1.1
111.08061	3.3
112.92233	1.1
115.03936	1.5
115.05441	1.8
116.07085	1.3
117.07030	14.2
117.25127	1.0
119.08584	26.8
121.06483	2.8
121.10146	13.6
123.08080	4.9
123.11725	4.8
125.09599	2.3
127.03908	9.0
129.05455	2.9
129.07022	6.1
130.07768	1.7
131.08571	16.3
133.06470	1.2
133.10138	26.3
135.08028	1.6
135.11674	11.5
137.09619	2.3
142.59583	1.1
143.08533	4.8
144.09302	1.2
145.04955	6.5
145.10130	14.4
147.11693	18.9
149.09613	6.3
149.13281	10.6
151.11140	1.9
155.08542	1.8
157.10164	5.0
159.11678	13.5
161.09602	1.5
161.13248	15.1
162.01955	1.0
163.06006	4.1
163.11180	3.6
163.14778	1.6
171.11664	6.8
172.58850	1.1
173.04413	1.4
173.13304	6.3
175.14815	5.3
177.12717	2.8
179.14363	1.9
185.13217	4.7
187.14792	1.6
189.16464	1.2
193.12206	1.4
195.13780	4.5
197.13214	1.8
199.14835	3.5
201.16301	1.4
213.10738	1.1
213.16486	1.7
217.15955	1.1
225.10979	1.2
226.92198	1.0
227.12732	1.8
229.19554	1.4
231.21042	3.4
239.17964	2.6
239.23763	5.6
241.19516	15.5
243.12181	1.4
243.21085	1.2
257.18991	3.8
257.24649	1.6
259.20581	50.6
260.20932	1.4
261.14758	1.4
269.17471	19.1
275.20105	12.0
293.17163	1.1
293.20859	1.7
310.53302	1.1
313.27365	100.0
314.27686	2.9
315.22937	2.1
321.17014	1.3
331.22659	1.5
333.20395	2.1
333.24249	30.1
349.23795	9.0
440.04678	1.1
491.40692	1.3
507.40466	47.5
508.40613	1.6
519.40344	1.9
531.40497	1.9
571.47064	9.7
587.46655	9.4
589.48297	31.5
590.48553	1.5
605.47150	2.2
733.50604	1.5
776.18683	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6206
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	34.0
69.03425	4.7
69.07073	16.4
71.01350	0.7
71.04985	3.2
71.08636	19.9
72.36059	0.7
73.02901	2.4
74.61393	0.6
78.27779	0.6
79.05496	26.1
81.03427	8.9
81.07059	49.4
82.07398	0.8
83.04982	6.1
83.08151	0.9
83.08620	13.7
85.02909	9.5
85.06531	2.9
85.10184	13.1
87.04461	0.6
89.06021	1.0
91.03954	4.3
91.05479	20.8
93.07046	29.9
95.04981	5.8
95.08610	31.4
97.02898	6.4
97.06532	8.1
97.10174	6.4
98.21512	2.0
99.04430	1.1
99.08086	2.1
99.11716	0.9
103.05495	1.1
103.07583	0.9
105.04473	0.8
105.06398	1.2
105.07037	14.6
107.04968	3.4
107.08599	18.1
109.02870	1.7
109.06509	3.2
109.10163	11.9
111.04449	1.1
111.08083	2.3
111.11740	1.0
117.07012	8.1
119.08579	11.9
121.06493	3.6
121.10142	8.1
123.08076	2.4
123.11729	4.9
125.09622	2.4
127.03935	3.5
127.04685	0.7
129.05513	1.6
129.06996	2.8
131.08562	9.1
133.10136	12.8
135.08047	2.7
135.11699	10.8
137.09660	0.8
137.13261	1.1
141.07007	1.0
142.07761	0.7
143.08556	2.1
145.04945	1.8
145.06491	1.5
145.10143	8.5
147.11697	4.0
149.09639	6.7
149.13264	9.8
151.11194	1.6
155.08549	1.5
157.10107	2.1
159.11696	8.7
161.09656	0.9
161.13214	0.8
163.06084	0.8
163.11168	4.1
169.10110	1.4
171.11687	1.3
173.04466	1.9
173.13310	3.1
175.11127	0.9
177.12796	2.3
179.14351	1.2
181.12173	0.7
183.11678	1.0
189.11172	1.0
195.13779	5.3
197.13371	0.7
201.12810	0.9
206.48990	0.6
227.12808	2.5
229.14365	0.8
229.19530	1.2
239.17964	1.4
239.23715	3.9
247.20541	1.2
253.51341	0.7
255.15894	13.2
257.18948	5.1
257.24719	1.4
267.15924	1.8
269.17490	44.8
275.20078	18.7
293.17786	1.1
293.21179	2.7
303.16254	0.9
313.27374	77.7
314.27646	1.5
321.24240	0.9
331.22693	2.3
339.18121	1.7
349.23743	23.5
354.07980	0.7
367.24893	5.6
413.21811	3.3
419.24313	0.9
467.37415	1.5
491.40829	1.3
493.38943	20.5
507.40469	100.0
508.40729	4.3
547.43610	1.4
587.46747	30.7
588.46912	1.7
605.47833	11.2
651.44373	2.7
749.51654	1.1
858.10107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6045
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05178	5.1
67.05509	17.9
69.03428	6.3
69.07072	16.6
70.38082	0.6
71.04955	1.3
71.08635	12.8
73.02901	1.0
77.03905	0.6
79.05090	1.1
79.05492	13.4
81.03423	5.5
81.07057	18.6
83.04949	2.7
83.08624	9.2
85.02916	3.2
85.06496	0.7
85.10186	7.6
89.06014	1.4
91.03920	1.9
91.05484	10.9
93.07049	11.1
95.04962	5.8
95.08607	17.2
97.02889	9.6
97.06488	2.0
97.10178	9.0
99.08037	0.6
104.06125	0.6
105.07022	7.8
107.04961	4.9
107.07980	0.8
107.08595	7.9
109.06477	1.4
109.10166	9.8
111.08037	1.5
116.06184	0.7
116.83196	0.6
117.07005	4.3
119.04898	1.1
119.08609	7.4
121.06458	1.8
121.10110	2.9
123.08038	2.7
123.11678	1.4
125.09629	5.9
127.03907	1.6
128.06216	0.7
129.07050	3.2
131.08574	5.6
133.06483	1.9
133.10150	4.0
134.07277	0.8
135.08011	2.7
135.11682	1.9
137.09613	1.4
137.13274	0.9
137.87827	0.6
140.17241	0.6
143.08519	2.2
145.04974	0.9
145.10156	3.3
147.08057	4.1
147.11676	1.3
149.09572	0.9
149.13199	2.1
155.08508	0.6
157.10126	1.7
159.08006	0.7
159.11684	1.5
161.09612	1.5
162.10387	0.9
163.11115	0.8
165.09114	1.0
171.10191	0.7
171.11627	1.2
175.11232	1.4
177.12721	1.5
179.10580	0.7
189.11162	2.6
193.12196	1.3
205.12222	1.7
211.13202	0.9
223.13284	14.0
227.12758	3.6
234.21716	0.7
239.23637	1.5
245.18988	0.9
249.14908	2.7
257.24908	1.7
267.15866	1.4
273.18521	11.9
291.19543	84.5
292.19870	1.7
313.27368	72.7
314.27658	1.3
347.22156	2.6
357.24240	0.7
365.23242	62.0
366.23590	2.3
483.36896	1.0
500.72147	0.7
505.39139	1.4
523.39899	5.4
585.45251	2.1
603.46198	100.0
604.46399	5.0
621.47430	0.8
765.51801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6052
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04765	1.0
67.05176	5.5
67.05466	21.0
69.03433	7.9
69.07072	18.9
69.17522	1.1
69.17922	4.7
71.04951	1.6
71.08632	14.4
73.02882	1.1
79.05495	15.6
81.03418	5.0
81.07061	19.8
83.04988	3.5
83.08621	10.8
85.02908	3.4
85.06488	0.7
85.10188	10.3
85.58511	0.5
89.05990	1.6
91.03916	2.3
91.05480	10.5
93.07046	11.9
95.04974	5.4
95.08613	16.7
97.02897	11.4
97.06499	1.9
97.10172	13.2
99.08057	0.6
103.07539	0.9
105.06381	0.8
105.07020	8.3
107.04960	5.1
107.08599	7.2
109.02857	1.1
109.06473	1.6
109.10168	9.3
111.04395	0.9
111.08080	1.0
111.11712	0.7
115.05466	1.1
117.07024	5.3
119.04894	0.7
119.08594	8.0
121.06503	2.8
121.10154	3.7
123.08038	2.3
123.11750	2.4
123.92155	0.5
125.09647	8.2
127.03882	1.2
128.06189	0.6
129.06966	1.5
130.07773	0.7
131.08568	4.8
133.06459	2.1
133.10123	3.3
134.07162	0.8
135.08064	2.6
135.11656	1.4
137.09605	1.4
137.13254	0.7
142.07823	0.7
143.08498	2.0
145.04906	0.9
145.10104	3.2
147.08054	4.6
147.11665	2.1
149.09651	1.3
149.13229	1.5
151.19376	0.6
157.10091	1.8
159.08058	0.8
159.11667	1.7
161.09581	1.7
163.11137	1.3
165.09074	1.0
169.12228	0.5
171.11638	0.9
173.75607	0.5
175.11136	1.9
177.12669	0.7
189.11176	2.5
189.12685	0.7
189.28737	0.6
193.12210	1.0
195.13867	0.8
205.12231	1.9
211.13211	0.8
223.13290	16.0
227.12794	4.6
239.23672	1.6
245.18982	1.0
247.16338	0.7
249.14821	3.1
255.17369	0.8
257.24826	1.5
267.15869	1.4
273.18478	12.7
291.19553	85.7
292.19910	1.1
313.27374	70.2
314.27762	1.0
347.22040	2.7
365.23236	62.5
366.23544	1.4
377.30280	0.6
429.21564	0.6
497.93213	0.6
507.40973	0.6
523.40045	5.8
526.39191	0.5
579.09845	0.6
585.45032	2.7
603.46222	100.0
604.46875	3.6
621.46979	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6043
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04797	2.8
67.05190	3.9
67.05508	31.0
69.03423	3.3
69.07060	9.0
69.92567	7.4
71.04984	2.1
71.08634	10.6
79.05138	1.6
79.05504	17.0
81.03422	3.8
81.07060	36.6
83.04977	4.8
83.08620	7.0
85.02908	4.5
85.06542	3.0
85.10178	5.6
91.03957	2.7
91.05483	31.4
93.07045	18.7
95.04953	2.9
95.08617	19.9
97.02876	2.4
97.06525	2.5
97.10177	3.7
98.21515	3.1
99.04444	1.9
102.97275	1.7
105.07041	29.3
106.62714	1.5
107.04925	3.2
107.08594	17.6
109.06513	5.4
109.10157	30.3
111.08121	2.2
117.07050	4.4
119.08563	6.9
121.06503	3.8
121.10175	2.5
123.11701	6.1
125.09669	2.1
131.08620	7.4
133.06497	2.8
133.10139	39.6
135.08043	4.3
135.11729	2.8
137.09619	2.4
143.08577	1.9
145.10146	4.5
147.11693	3.4
149.09619	5.8
151.11183	19.7
157.10156	2.2
159.11670	2.6
161.09604	5.1
169.12309	2.6
171.11670	2.0
175.11218	3.1
177.09081	2.1
191.14433	1.6
241.19794	1.7
245.19051	1.9
251.12769	3.6
253.14371	100.0
263.19992	2.4
273.18561	18.2
291.19547	19.9
307.18893	1.7
309.20737	2.5
313.27393	46.9
341.26743	3.1
347.22192	7.7
364.54758	1.6
365.23251	29.7
468.27328	1.6
509.38403	15.7
513.83472	2.0
550.78943	1.5
585.45227	6.6
603.46204	77.8
604.46259	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	962.6051
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04805	2.4
67.05222	3.9
67.05509	35.5
69.03423	3.0
69.07063	11.9
71.04981	2.7
71.08628	14.0
71.11965	2.7
73.02899	2.1
79.05074	1.6
79.05498	21.9
81.03417	4.6
81.07056	44.4
83.04993	7.1
83.08632	10.6
85.02902	4.0
85.06537	3.3
85.10168	7.2
88.65135	0.9
91.03970	3.1
91.05483	34.0
93.07042	20.1
95.04958	5.8
95.08611	22.9
97.02879	3.2
97.06537	3.8
97.10153	4.0
99.04459	2.4
99.69087	1.1
105.07032	29.5
107.04958	5.9
107.08595	19.4
109.06522	4.9
109.10160	31.9
111.08092	2.2
115.07597	0.9
115.47042	1.0
117.06998	7.5
119.07851	1.5
119.08566	7.6
121.06512	4.5
121.10134	4.6
123.08043	3.2
123.11726	6.4
125.09635	2.2
127.07653	1.1
129.06975	2.2
130.07784	2.4
131.08598	10.7
133.06490	3.7
133.10139	41.4
135.08037	5.9
135.11679	3.2
137.09637	1.9
137.13303	1.5
143.08565	3.8
145.10109	5.6
147.08054	4.8
147.11690	2.6
149.09624	5.8
149.13246	1.8
151.11198	16.3
151.30954	1.1
157.10158	2.7
159.08040	3.5
159.11685	1.5
161.09616	7.6
163.11206	1.5
165.12794	1.1
169.12209	3.9
171.11754	2.6
173.09581	1.1
175.11148	3.3
177.09114	2.5
177.12794	1.7
185.13290	1.7
189.12769	1.1
215.12874	2.7
216.48904	1.2
223.13274	2.5
227.17960	2.4
239.23462	1.4
245.19070	4.6
251.12811	4.4
253.14369	67.9
255.17438	2.5
263.20007	3.4
273.18515	25.5
291.19571	31.7
309.20627	1.9
313.27377	57.9
314.27753	2.0
347.22144	13.0
365.23248	42.0
507.36743	2.3
509.38226	10.6
585.44666	6.6
603.46216	100.0
604.46210	3.4
621.47107	3.0
757.57520	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.8
69.03431	3.2
69.07069	1.1
71.01355	0.5
71.05016	0.6
71.08620	0.5
71.51880	0.6
73.02911	4.4
77.68816	0.4
79.05514	2.3
81.03426	1.1
81.07048	4.9
83.08620	0.5
85.02901	5.7
85.03290	0.5
85.64075	0.5
89.12416	0.5
91.03976	3.2
91.04449	0.5
91.05492	1.3
93.07030	2.9
95.08605	4.1
97.02900	5.6
99.04494	1.0
101.02384	2.4
105.07066	1.3
107.08615	1.0
109.02885	0.5
109.10188	2.1
115.03979	0.5
119.08559	0.7
121.10105	1.0
127.03973	1.5
127.55382	0.5
133.10181	0.6
135.11823	0.5
145.10149	0.6
156.15802	0.4
187.64951	0.5
203.05299	0.9
243.08482	1.9
261.22302	1.0
278.66702	0.5
335.25970	2.1
341.30527	2.4
342.30905	1.0
347.09592	1.4
359.57599	0.5
365.10730	1.3
372.68863	0.5
405.13715	5.2
519.29260	3.9
521.30927	3.4
602.52240	0.9
681.34564	5.3
683.36053	2.6
961.58527	100.0
962.58929	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	959.5702
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	3.5
68.29230	0.3
68.31525	0.4
69.03432	3.3
69.07075	0.7
69.16102	3.6
71.01349	0.7
73.02922	3.4
79.05510	2.0
81.03443	1.4
81.07056	3.3
83.08622	0.4
85.02908	5.0
87.04449	0.6
91.03963	3.4
91.05508	1.3
93.07047	2.3
95.08621	2.2
97.02893	5.5
98.21476	0.7
99.04478	0.7
101.02377	1.7
103.04021	0.4
105.07069	0.6
107.08629	1.0
109.02905	1.1
109.10182	1.2
117.07049	0.4
119.08625	0.5
121.10178	0.7
127.03972	1.2
131.08595	1.0
132.71635	0.4
133.10176	0.4
135.11707	0.6
145.05009	0.6
163.71237	0.3
166.21748	0.4
185.04297	0.9
203.05377	0.8
223.75465	0.4
243.08444	2.3
335.25763	0.5
347.09705	1.4
363.09103	0.5
365.10699	0.9
405.13733	4.9
477.62927	0.4
519.29291	5.4
681.34564	8.7
682.34985	0.5
797.51672	1.2
959.57007	100.0
960.57257	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	956.6307
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	89.7
69.03434	3.3
69.07070	32.8
70.67673	3.6
71.03898	1.3
71.04990	4.2
71.08621	2.8
73.02907	6.0
77.03959	1.8
79.05497	48.9
81.03426	1.5
81.07062	95.0
83.04991	2.1
83.08623	18.3
85.02910	23.4
85.06551	3.1
91.03961	14.0
91.05486	30.0
93.07050	52.4
95.04971	3.4
95.08614	79.8
96.08985	1.5
97.02902	12.1
97.06525	4.9
97.10175	8.3
99.04490	1.3
99.08097	3.1
105.04569	1.8
105.07033	22.9
107.08607	33.0
109.10163	33.5
111.08122	1.9
113.09620	1.8
115.03941	1.6
117.07016	6.9
119.08584	21.5
121.10154	27.0
123.08122	1.4
123.11711	10.7
125.09672	1.6
127.03941	6.8
129.06998	1.9
131.08569	14.0
133.10139	16.0
135.11707	18.9
137.13264	3.7
145.04982	8.8
145.10147	8.2
147.11691	12.3
149.13249	11.1
157.10074	1.9
159.11705	8.2
161.13269	10.3
163.05998	10.3
163.11240	1.7
163.14832	7.3
169.10225	1.8
171.11676	1.8
173.13274	9.1
175.14815	4.4
177.16438	3.6
185.13232	2.0
187.14873	2.8
189.16403	2.6
201.16426	2.3
205.15843	2.3
219.20953	1.3
233.22632	1.4
241.19498	3.8
243.21100	9.2
245.22722	5.3
247.20537	1.5
259.20557	7.5
261.22159	31.6
263.23703	5.4
273.22165	1.7
317.24655	6.3
333.24304	5.8
335.25827	97.2
336.26227	5.6
337.27383	100.0
338.27872	1.7
339.29108	7.2
343.94095	1.4
352.13763	1.5
523.45044	5.1
597.48761	43.3
598.48560	2.5
615.49878	52.8
616.49927	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	954.6148
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	66.2
68.05830	0.9
69.03416	2.9
69.06725	1.1
69.07070	14.5
69.50383	1.6
69.50808	3.2
71.04973	2.2
71.08630	1.1
71.99039	0.6
73.02918	4.2
76.87126	0.6
79.05495	45.3
81.03444	1.3
81.07059	71.1
83.04975	1.6
83.08627	8.4
85.02380	0.8
85.02906	18.2
85.06536	2.6
91.03966	11.2
91.05486	28.6
93.07047	52.9
95.04972	3.6
95.08611	54.2
96.04502	0.9
97.02894	10.0
97.06542	3.5
97.10191	3.7
99.04452	0.8
99.08083	1.3
101.02389	0.7
103.05449	1.0
105.04502	1.7
105.07037	25.5
107.08601	30.1
109.02879	1.3
109.06541	2.0
109.10161	25.5
111.08098	0.9
113.09660	0.8
115.03915	1.2
117.07020	8.3
119.08585	19.8
121.10152	23.4
123.08089	1.9
123.11707	8.3
125.09627	1.1
127.03916	5.1
129.06998	2.6
130.07800	0.8
131.08575	14.5
133.10143	15.8
135.08046	1.0
135.11693	16.5
137.09650	1.0
137.13258	3.8
139.11200	1.7
143.01956	0.7
143.08546	2.6
145.04993	6.0
145.10132	11.8
147.11699	11.2
148.11987	0.7
149.09622	1.0
149.13292	9.7
151.11182	1.3
157.10107	1.8
159.11691	11.6
161.13275	9.0
163.06027	7.0
163.14796	4.6
169.10191	0.6
171.11703	3.0
173.13268	8.8
175.14842	5.7
177.12828	0.7
177.16391	2.1
183.11676	0.6
185.13286	2.7
187.14775	5.3
189.16368	1.9
199.14815	2.1
201.16347	3.0
205.19724	0.8
213.16408	0.9
215.17889	1.0
217.19572	0.7
219.17545	0.8
229.19388	0.8
241.19650	4.3
243.21040	6.3
245.22723	1.0
259.20575	9.6
261.22134	22.8
263.23749	2.2
277.21640	1.0
279.23505	0.7
299.23608	1.1
313.25131	0.7
315.23129	0.8
317.24686	4.2
333.24231	7.7
335.25812	100.0
336.25946	3.1
337.27429	12.6
471.42072	0.7
521.43341	2.1
531.39758	0.8
539.44421	1.1
543.41235	0.9
595.47284	17.2
596.47137	0.8
613.48334	23.0
614.48364	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	100.0
69.03439	15.8
69.07077	31.1
69.92193	12.6
71.04988	6.2
73.02908	8.6
77.03917	2.7
79.05502	84.6
81.03433	15.4
81.06595	4.9
81.07059	93.0
81.07528	4.8
83.04974	12.0
83.08632	17.9
84.08154	16.9
84.88406	2.4
85.02906	30.3
85.08450	2.4
91.03944	11.4
91.05489	66.2
93.06487	5.3
93.07049	84.3
95.04971	18.5
95.08613	64.4
97.02893	24.6
97.06533	44.7
97.10180	14.8
98.21442	3.0
99.04463	3.9
99.08057	3.3
101.02396	2.5
103.05412	3.1
105.04510	3.4
105.07038	64.5
107.04969	20.6
107.08599	57.9
109.02832	6.7
109.06515	8.6
109.10165	32.4
111.08083	7.0
115.05428	4.2
117.07031	20.5
119.08591	41.3
121.06534	6.2
121.10153	30.3
123.08061	5.2
123.11709	11.6
125.09627	17.8
127.03886	10.1
128.06203	4.6
129.06999	6.8
130.08652	29.4
131.08542	30.8
133.10143	30.6
135.08031	6.7
135.11710	15.6
137.09613	3.1
137.13177	3.6
139.07564	4.2
141.07005	4.7
143.08531	9.5
145.04959	4.2
145.06511	4.3
145.10126	34.2
147.08000	3.9
147.11690	21.0
149.09618	24.4
149.13239	9.0
151.11201	3.5
155.08553	5.8
157.10114	7.9
159.08012	3.3
159.11694	17.0
161.09674	4.0
161.13243	11.1
163.11191	13.8
163.14807	4.3
169.10190	7.9
171.11734	10.2
173.09521	3.0
173.11874	4.7
173.13269	13.0
175.14827	5.2
177.12657	3.2
179.14340	4.6
183.11746	7.0
185.13251	7.7
187.11130	3.4
187.14915	4.3
189.11183	7.5
197.13217	4.3
199.14891	3.5
213.12819	3.3
227.12770	20.3
229.14307	9.4
239.17894	4.4
247.20769	3.5
257.18964	10.8
259.20667	3.6
261.22266	11.7
275.20105	57.8
293.21082	3.8
295.19531	2.7
331.22711	4.7
333.24194	7.1
335.25803	95.7
336.25998	2.8
349.23761	51.0
367.24765	3.1
401.23206	2.7
431.31406	7.5
489.35675	5.2
505.35352	12.3
513.39056	8.1
515.36737	3.3
529.38708	7.9
549.34802	3.2
609.45160	80.1
610.45544	4.3
627.46149	34.9
651.45599	7.3
753.49463	3.6
771.49341	7.3
789.50580	3.1
980.84161	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	949.5525
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	82.8
69.03439	19.9
69.07072	32.3
70.82967	2.7
71.04984	10.5
73.02916	7.2
79.05074	4.1
79.05499	56.5
79.36483	2.4
81.03420	36.1
81.07059	74.1
81.77496	2.4
82.07378	2.7
83.04982	12.2
83.08608	14.0
85.02914	32.3
85.06527	3.5
91.03958	12.9
91.05489	66.8
93.07043	69.7
93.74763	2.9
94.07378	3.3
95.04999	15.7
95.08614	49.6
97.02893	29.5
97.06559	16.6
97.10167	9.9
98.20823	11.3
98.21525	8.4
99.04464	7.6
101.02393	4.0
105.07037	58.9
107.04977	7.6
107.08608	34.1
109.02873	7.0
109.06506	8.0
109.10153	38.8
110.10439	2.7
111.08051	9.5
111.60451	2.7
115.04031	3.2
115.05417	4.6
117.07027	31.5
119.08581	45.1
121.06524	7.9
121.10145	25.2
123.08081	8.0
123.11705	7.1
125.09650	6.3
127.03923	12.4
128.06218	7.6
129.05511	4.5
129.07007	18.3
131.08578	43.6
133.06528	5.8
133.10139	28.3
135.08063	8.1
135.11662	14.9
137.09650	6.0
141.06979	10.1
142.07832	5.2
143.08560	28.4
145.04951	6.7
145.06482	6.1
145.10138	34.4
147.08020	6.0
147.11702	21.7
149.09616	11.3
149.13237	6.1
151.11197	3.6
155.08559	14.4
157.10143	22.2
159.08028	4.3
159.11685	24.0
161.09546	3.2
161.13255	8.4
163.11194	4.0
165.07048	5.6
167.08548	7.5
169.10165	18.5
171.08116	2.9
171.11694	19.5
173.04474	13.6
173.09624	3.1
173.11772	6.8
173.13266	15.6
175.11211	3.3
175.14798	7.3
177.12695	4.8
178.14255	2.7
179.08527	5.3
181.10123	12.2
183.11687	16.9
185.09615	3.1
185.13274	14.2
185.14661	2.8
187.14856	6.7
189.12755	4.1
193.10179	5.3
195.11691	5.8
197.09581	2.9
197.13278	12.4
199.14842	9.9
201.99541	2.8
207.11676	7.2
209.13307	8.4
211.14810	7.4
213.16412	5.7
215.17998	3.4
221.13322	3.9
223.14914	5.0
223.39899	2.8
225.16364	6.3
227.12772	6.6
227.17909	3.2
229.14278	19.7
229.62239	4.2
230.14743	5.5
237.16290	5.2
239.18001	7.6
241.19441	5.3
257.19083	5.8
259.20624	9.0
261.22144	7.5
273.18430	5.0
275.20145	13.9
297.16980	4.7
315.23312	4.4
333.24109	10.9
335.25934	20.9
336.26147	5.8
349.23819	12.1
421.30478	3.1
489.35623	6.5
490.36420	4.8
509.36322	3.5
511.37457	3.0
513.36041	27.1
515.37897	8.2
527.37299	17.5
533.40027	5.6
551.40143	4.9
558.38470	5.0
597.45551	3.4
607.43604	62.9
609.45166	4.6
625.34552	5.6
625.44647	100.0
626.44794	5.5
649.44910	4.2
653.40845	4.5
671.41608	3.5
689.42590	7.7
733.45782	4.3
751.47638	7.0
769.49225	12.7
787.49445	13.3
840.36688	2.9
949.54315	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	949.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	70.0
69.03427	26.2
69.07068	27.5
69.16309	6.5
69.16710	16.4
71.04998	9.2
73.02917	13.9
79.05495	66.5
81.03419	32.5
81.07058	83.5
81.16686	2.1
83.04979	12.9
83.08620	17.2
85.02909	29.7
85.06565	5.0
85.27333	2.3
91.03963	11.4
91.05483	73.5
93.07046	67.3
93.07626	2.8
95.04974	12.3
95.08610	49.5
97.02899	29.0
97.06527	15.8
97.10163	12.3
99.04456	5.0
99.08096	4.0
105.07040	57.1
107.04944	13.5
107.08600	40.6
108.05109	2.4
109.02882	9.1
109.06524	8.2
109.10163	31.7
111.08074	6.3
111.73477	2.0
115.05447	3.9
115.71675	2.0
117.07013	27.5
119.04954	2.2
119.08585	42.7
121.06507	7.8
121.10144	26.9
123.08069	7.3
123.11723	7.0
125.09624	10.2
127.03919	12.6
128.06212	7.0
129.05495	2.9
129.07002	22.7
131.08566	39.2
133.10141	34.7
135.08070	7.2
135.11723	13.6
137.09605	3.9
139.03915	2.8
139.11148	3.8
141.06998	11.3
142.07803	6.1
143.08571	24.9
145.05034	3.5
145.06462	3.5
145.10133	31.2
147.08083	2.8
147.11687	23.6
149.09630	9.0
149.13257	10.9
151.11211	3.4
153.06964	4.9
155.08551	17.3
156.09322	4.5
157.10135	25.7
159.08121	4.9
159.11711	23.9
161.09705	4.1
161.13266	10.9
163.11191	4.8
165.12769	3.3
166.07971	2.3
167.08540	7.4
169.10127	18.9
171.07964	3.4
171.11679	21.5
173.04460	13.4
173.09689	3.7
173.11865	3.5
173.13300	13.0
175.11206	4.3
175.14815	5.7
177.12796	3.0
177.16467	3.4
178.07779	2.8
179.08488	4.2
181.10110	11.4
182.10898	3.0
183.08040	3.1
183.11696	13.1
185.09683	2.4
185.13261	16.5
186.68314	2.2
187.11185	6.5
187.14854	6.2
189.11180	4.1
189.12758	3.6
193.10118	5.7
195.11681	9.0
195.13774	2.4
195.87378	2.4
197.09656	2.7
197.11682	2.4
197.13295	11.5
199.11148	5.3
199.13139	2.5
199.14874	8.2
201.12708	4.5
201.16426	5.3
203.08786	2.4
207.11714	6.2
209.13254	8.9
211.14857	7.6
213.12820	3.1
213.16428	4.8
221.13246	6.7
223.14819	4.2
225.16382	4.7
227.12807	5.0
229.14354	3.9
233.13206	2.8
235.14833	3.4
237.16385	4.7
239.18076	3.2
241.19511	8.5
245.13084	2.4
247.14809	2.9
251.18013	3.5
257.19012	4.8
259.20587	11.9
261.22192	3.7
267.15918	5.2
269.17511	6.1
273.18445	3.6
275.20129	16.7
285.16916	3.3
297.22244	3.6
301.21619	4.6
315.23416	2.9
331.22809	3.0
333.24377	13.9
335.25806	6.5
349.24039	6.2
385.23639	2.9
413.21619	3.2
495.34427	2.7
509.35892	3.9
513.35907	20.0
515.37927	8.1
517.17993	2.4
525.35840	3.8
527.37439	16.2
533.39758	8.2
543.37604	3.1
545.38525	3.0
551.40680	4.3
579.23828	2.8
607.43567	57.7
620.30554	2.6
625.44647	100.0
626.45404	5.6
653.40491	2.8
671.41022	5.8
689.41797	9.5
733.46283	4.8
744.44696	2.6
751.47449	4.0
769.48584	10.0
774.30212	2.6
779.43262	3.1
787.49786	15.1
907.97711	3.2
949.55487	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	948.6255
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	39.0
69.03426	4.3
69.07065	15.6
71.08640	34.7
71.51945	4.3
79.05499	38.8
81.07061	34.8
83.08603	15.4
85.02909	20.0
85.10172	29.9
89.06011	4.9
91.03941	9.8
91.05475	55.1
93.07050	43.5
95.05000	5.5
95.08616	45.6
97.02887	7.9
97.10172	6.0
99.74200	3.7
100.40069	3.8
103.43475	3.5
105.07037	55.5
107.08590	23.5
109.10158	26.1
117.07013	17.1
119.08578	41.6
121.06499	10.0
121.10174	20.6
123.11714	6.4
127.03943	5.4
129.06961	8.9
131.08542	22.4
133.10144	38.8
135.11662	15.0
143.08531	11.5
145.04895	4.3
145.10123	20.7
147.11697	33.9
149.13203	9.2
157.10091	13.4
159.11667	13.9
161.13300	19.7
163.14899	4.4
165.26457	4.0
171.11687	6.2
173.13242	9.4
175.14810	14.5
185.13271	10.2
199.14803	4.6
231.21039	10.1
241.19528	34.6
259.20557	98.2
313.27344	100.0
313.85703	3.5
314.27615	5.3
315.23300	5.6
333.24228	62.3
381.27884	3.8
396.41519	3.9
571.47247	17.9
589.48187	73.0
676.63416	4.4
733.52460	5.7
890.81500	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	940.6
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	100.0
69.07077	20.5
71.04998	5.3
71.51820	5.0
73.02918	6.1
79.05501	68.0
81.07067	87.0
83.04935	3.8
83.08633	9.2
85.02920	24.6
91.03956	16.0
91.05497	37.9
91.79804	3.0
93.07048	65.0
95.08617	83.3
97.02905	13.8
97.06525	6.3
97.10162	3.5
105.07021	34.6
105.10049	3.0
107.08610	47.0
109.10163	32.4
114.64616	2.7
117.07070	6.6
119.08570	30.0
121.10157	35.8
123.11699	15.2
127.03925	10.3
127.28500	3.1
130.08687	6.1
131.08582	20.1
133.10162	26.4
135.11682	19.9
137.13274	3.9
139.61192	3.0
143.08614	3.2
145.04942	9.1
145.10124	19.2
147.11699	18.9
149.13246	17.0
157.10052	6.1
159.11720	11.7
161.13295	12.3
163.06000	8.2
163.14847	7.3
173.13293	15.0
175.14876	5.6
185.13261	3.8
187.14851	6.7
227.18086	4.7
229.19608	5.6
243.21091	5.2
245.18932	10.5
247.20630	16.6
259.20563	9.6
261.22180	20.7
317.24667	3.2
319.22696	7.3
321.24277	88.8
323.25833	15.4
333.24283	7.0
335.25861	88.4
337.27435	8.6
343.88074	3.6
412.31805	3.3
475.07452	3.5
507.41956	8.3
517.39044	3.5
525.42975	4.0
581.45520	31.5
599.46887	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	940.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	2.9
69.03436	7.5
69.07066	2.0
70.06589	0.9
71.01367	0.6
71.05025	0.6
71.50685	0.6
71.64529	0.4
73.02512	0.6
73.02924	11.5
79.05497	1.7
81.03427	2.0
81.07061	5.8
83.04974	0.4
83.08627	0.8
84.04509	55.2
85.02914	3.6
85.28516	0.4
87.04498	0.5
91.05482	2.3
93.07056	3.9
95.08615	16.4
96.04507	5.6
97.02895	12.0
97.06516	0.5
97.10176	0.9
98.06051	3.7
99.04487	0.9
105.07049	3.0
107.08613	4.5
108.04497	0.7
109.02884	1.6
109.10158	3.9
115.03929	8.1
119.08583	6.2
121.06503	0.9
121.10136	4.2
123.08081	0.7
123.11718	2.2
124.03935	0.7
126.05526	75.0
127.03916	2.4
129.06952	0.4
131.08569	1.2
133.04994	1.8
133.10127	1.5
135.08061	0.7
135.11700	3.0
137.06012	0.8
137.13275	1.8
138.05511	43.8
139.03908	0.5
143.03429	1.1
143.08597	1.0
144.06570	9.4
145.10147	2.0
147.11703	1.7
149.13319	2.2
153.01738	0.4
156.06503	0.5
157.10147	1.0
159.11688	1.0
161.13257	1.7
163.14905	0.8
168.06586	14.5
171.11629	0.7
173.13275	1.4
175.14830	1.2
177.16461	0.6
185.13240	0.6
186.07620	10.4
186.09129	0.8
187.14842	1.3
189.12703	0.9
189.16368	0.8
191.14296	0.8
191.17949	1.2
199.14890	0.7
201.16438	1.0
203.14360	2.2
203.17986	1.2
204.08691	100.0
205.08984	0.8
205.15852	1.2
205.19502	0.9
211.06012	3.6
213.16409	1.3
215.17885	1.0
217.15840	1.1
217.19635	0.5
222.09744	12.5
229.07080	1.3
229.16077	0.5
231.17496	0.7
258.09866	0.6
300.10834	0.9
318.11545	0.5
336.12909	29.2
354.13931	2.2
391.33536	0.7
409.34641	2.0
411.36127	0.8
437.34009	1.7
455.35135	1.5
468.17200	26.7
676.43768	0.8
734.46564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5861
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	1.9
69.03423	2.8
69.07066	0.7
71.01346	0.5
71.04998	0.4
71.08640	0.9
73.02921	3.2
76.33994	0.3
79.05486	1.7
81.03412	2.0
81.07046	2.1
83.08625	0.7
85.02902	5.6
87.04458	0.3
91.03955	3.4
91.05495	1.2
93.07048	1.8
95.08606	2.4
97.02901	6.2
97.03524	0.4
99.04483	0.9
101.02373	1.9
103.04004	0.5
105.07050	0.4
107.08598	0.7
109.02876	0.7
109.10159	0.7
110.37434	0.2
115.03957	0.7
119.08604	0.5
119.48442	0.3
121.06516	0.6
121.10168	0.7
123.11743	0.5
127.03937	1.4
131.08604	0.5
138.29166	0.3
143.34621	0.3
145.04967	0.4
185.04260	1.2
203.05338	1.0
243.08472	2.3
286.19626	0.3
313.27673	0.6
335.25992	0.6
347.09512	2.4
365.10791	1.0
405.13669	6.1
497.30811	3.9
497.36816	0.4
498.31879	0.3
514.05432	0.3
519.29401	5.1
659.36206	3.5
681.34589	6.6
775.53223	1.1
844.90723	0.3
937.58600	100.0
938.58905	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	935.5724
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05183	6.2
67.05510	82.9
69.03421	13.6
69.07063	19.4
71.04961	4.6
71.08646	5.0
73.02911	14.0
74.11454	3.6
75.89075	4.2
77.07871	6.0
79.05502	74.6
81.03415	10.8
81.07066	72.8
83.04974	7.2
83.08620	16.5
84.08141	22.8
84.71504	4.2
85.02920	28.9
85.03352	6.2
91.03952	15.6
91.05479	63.7
93.07041	63.6
95.04955	9.7
95.08054	6.9
95.08608	74.4
97.02905	20.3
105.04521	6.6
105.07034	58.1
107.08599	40.2
109.02885	4.8
109.06493	7.1
109.10158	20.9
117.07018	21.9
118.75172	4.0
119.08590	43.6
121.10172	27.7
123.08037	5.8
123.11697	7.9
127.03911	4.3
129.07010	18.0
130.08638	18.3
131.08586	36.6
133.10139	39.2
135.08015	5.7
135.11685	19.7
141.06978	5.4
143.08545	18.4
145.10126	34.7
147.07983	4.4
147.11710	33.4
149.13255	12.8
155.08530	12.3
157.10114	14.1
159.11703	20.0
161.13234	21.1
163.14864	5.2
169.10114	5.3
171.11690	16.4
173.13345	20.9
175.14842	13.7
181.10072	5.2
183.11687	6.6
185.05899	4.1
185.09573	4.3
185.13237	12.1
187.14879	8.2
195.11617	7.0
197.13324	5.6
199.14880	5.4
201.16385	5.4
209.13263	7.6
211.14850	5.4
213.16417	8.4
241.19524	19.3
257.19281	3.9
259.20636	35.6
261.22195	11.3
275.19974	6.0
301.21518	5.6
333.24249	24.7
335.25781	85.8
367.22665	5.4
367.75272	4.6
401.46140	4.5
537.43036	4.3
593.45386	10.6
609.44556	4.8
611.46649	100.0
612.47040	9.0
635.46228	8.7
677.47424	6.9
701.47528	12.8
719.48364	8.2
755.50665	14.3
773.51337	12.0
906.43652	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	933.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.6
66.49023	0.3
67.05505	12.0
69.03432	9.6
69.07069	5.3
71.01330	1.4
71.04981	1.5
71.08620	0.5
73.02921	7.6
79.05495	8.4
81.03422	4.6
81.07057	12.8
83.04978	1.3
83.08617	2.5
85.02906	20.2
85.06544	0.7
86.03222	0.3
87.04440	0.7
91.03957	10.7
91.05481	7.8
93.07045	8.9
95.04973	1.0
95.08609	10.1
97.02893	16.9
97.06530	1.1
97.10175	2.1
99.04465	2.0
101.02366	2.2
103.03956	0.4
103.05470	0.3
105.07036	7.6
107.04944	0.7
107.08598	5.7
109.02885	1.7
109.06545	0.6
109.10165	4.4
111.08093	0.8
115.03923	1.0
115.05444	1.2
117.07023	4.5
119.08581	6.8
121.06535	0.3
121.10150	3.5
123.08057	0.6
123.11696	1.1
125.09647	0.8
127.03918	4.9
128.06247	1.6
129.07008	6.1
130.07773	0.7
131.08575	7.5
133.10126	5.5
135.08069	0.5
135.11690	2.7
137.13245	0.3
139.11201	0.5
141.07001	3.3
142.07800	1.6
143.08560	7.9
144.09389	0.5
145.04988	2.8
145.06116	0.4
145.06302	0.3
145.10133	6.3
147.11696	3.7
149.09615	0.3
149.13268	1.3
153.07025	1.2
154.07811	1.1
155.08548	7.6
156.09372	0.9
157.10139	7.8
159.08086	0.6
159.11702	5.4
160.12413	0.3
161.13281	1.9
163.06056	1.3
163.11229	0.4
163.14813	0.6
165.07060	0.9
166.07826	0.6
167.08540	4.0
168.09325	1.0
169.10124	8.9
171.08047	0.5
171.11688	6.7
172.12482	0.5
173.09708	0.5
173.13266	3.6
175.14854	1.0
177.12811	0.4
178.07816	0.5
179.08560	1.4
180.09346	0.6
181.10129	5.4
182.10928	0.9
183.11707	7.9
185.13235	5.0
187.14819	2.1
189.16394	0.4
191.08511	0.5
191.18172	0.3
193.10118	2.0
194.10957	0.5
195.11697	5.2
196.12387	0.4
197.13266	6.3
199.11234	0.4
199.14819	3.9
201.16490	0.8
203.17989	0.3
204.09422	0.3
205.10158	0.8
207.11732	1.8
208.12392	0.9
209.13229	5.0
210.13893	0.5
211.11201	0.4
211.14801	3.5
213.12907	0.4
213.16452	2.0
215.17943	0.7
219.11746	0.7
220.12611	0.3
221.13376	2.3
223.14798	3.6
225.16386	3.0
227.14433	0.4
227.17996	1.1
229.19730	0.4
233.13335	0.8
235.14818	2.0
237.16397	2.6
237.78813	0.3
239.14388	0.4
239.18040	1.5
241.19656	0.7
247.14879	0.8
249.16473	1.2
251.17979	1.7
253.19511	0.9
255.21292	0.6
261.16367	0.7
261.22235	0.4
263.17947	0.8
265.19583	1.3
267.21146	0.6
269.22662	0.3
277.19498	0.7
279.21072	0.5
283.20520	0.4
289.19482	0.5
291.21014	0.5
295.20624	0.7
297.22110	0.5
299.20197	0.4
307.20557	0.5
309.22263	0.6
311.23541	0.6
313.21777	0.6
313.27554	0.5
314.27921	0.5
321.22137	0.7
323.23825	0.9
325.25238	0.3
327.23367	0.3
335.23386	0.4
335.26416	0.6
337.25003	0.6
341.24829	0.6
347.23795	0.4
349.25049	0.8
351.26871	1.0
353.24667	0.5
353.28421	0.4
363.26581	0.6
365.28485	1.1
379.30139	0.7
381.27710	0.5
391.30011	0.5
393.27524	0.3
405.31671	0.5
407.29291	0.4
433.31580	0.3
435.32465	0.4
447.32855	0.4
461.34134	0.5
473.32840	0.4
475.35367	0.5
489.40897	0.4
499.39697	0.4
501.35629	0.8
511.34369	0.4
513.35815	0.5
515.37762	0.8
517.40430	4.6
521.36487	0.3
525.35773	0.7
527.37604	0.6
535.42090	1.5
539.37360	1.3
540.38147	0.4
541.38977	1.3
553.41858	0.5
555.41797	0.4
567.40106	0.3
573.42877	0.5
574.49091	0.6
581.41602	0.5
589.41821	0.3
591.44073	5.1
595.44031	0.4
607.43958	2.5
608.44043	0.4
609.45142	100.0
610.45563	5.5
611.46820	0.7
619.44037	0.6
621.44690	1.8
633.44513	1.4
651.46240	1.2
663.45886	0.4
675.46368	0.7
693.47314	0.6
699.45898	1.2
717.47180	1.3
735.48572	2.5
753.49182	2.6
769.48560	0.4
771.50403	27.1
772.50616	1.3
775.24353	0.3
933.55780	7.7
934.56244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6304
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.0
67.05504	35.5
69.03430	2.3
69.07070	10.9
70.83715	0.5
71.04978	1.4
71.08235	0.9
71.08629	18.4
72.29602	0.5
73.02640	0.3
73.02924	3.5
73.06538	0.4
77.03902	0.5
79.05493	22.1
81.03391	0.8
81.07055	39.9
83.04951	0.9
83.08620	10.2
85.02904	15.4
85.06541	1.4
85.10178	11.4
89.06015	1.1
91.03956	11.0
91.05482	10.9
93.07043	23.3
95.04952	1.6
95.08607	37.4
96.04472	0.8
97.02896	8.8
97.06533	1.2
97.10182	4.8
99.04424	0.9
99.08092	0.7
99.11724	0.7
103.07578	1.2
105.07033	8.7
107.08594	16.9
109.02850	0.7
109.06543	0.6
109.10151	16.7
111.08084	1.0
111.11707	1.6
113.09589	0.5
115.03897	0.6
117.07042	3.1
119.08571	7.3
121.10146	13.3
121.11041	0.7
123.08084	0.8
123.11714	7.4
125.09621	0.6
127.03918	4.6
131.08553	7.8
133.10130	6.3
135.11690	10.3
137.09669	0.8
137.13248	2.5
145.04944	6.0
145.10115	5.9
147.11687	5.1
149.09624	0.6
149.13266	6.2
151.14865	1.3
153.12798	0.5
159.11696	4.8
161.13278	4.7
163.06000	6.3
163.14853	3.9
165.12723	0.5
165.16451	0.5
173.13263	4.9
175.14809	1.9
177.16373	1.2
179.14366	0.6
183.11380	0.5
187.14777	3.0
199.14827	0.4
201.16330	1.1
215.17999	0.5
218.42113	0.5
229.41797	0.6
233.22670	1.0
239.23653	2.4
243.21112	10.4
243.23631	0.5
257.24759	2.9
261.22144	40.5
262.22577	1.2
279.23187	1.1
313.27362	100.0
314.27722	2.7
317.24750	6.4
331.28159	0.5
335.25800	80.7
336.26193	2.9
349.48172	0.4
489.29099	0.6
499.44778	0.6
573.48779	42.5
574.49213	2.3
591.49915	6.8
887.64105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	6.4
67.05511	75.2
68.98465	2.4
69.03434	8.0
69.07069	24.3
71.04981	5.9
71.08601	4.1
71.51216	5.6
73.02907	4.6
73.06593	2.6
79.05502	95.9
81.03427	17.1
81.07062	77.2
83.04985	17.2
83.08634	12.6
85.02884	15.6
85.06523	5.6
91.03941	4.4
91.05486	100.0
93.07053	96.7
95.04965	27.0
95.08057	4.0
95.08614	38.8
97.02888	7.3
97.06523	15.8
97.10166	5.9
99.08145	4.4
101.88359	2.5
105.04527	5.3
105.07040	80.3
107.04961	12.6
107.08601	36.6
109.06491	7.1
109.10182	12.9
111.04465	3.1
111.08067	4.0
115.05479	3.0
117.07014	20.9
119.08598	53.4
121.06521	6.3
121.10166	20.1
121.10886	3.3
122.08494	2.8
123.08060	8.8
123.11685	5.2
125.09658	4.3
127.03907	4.0
128.06232	4.8
129.07019	26.8
131.08604	28.6
133.06512	3.2
133.10147	31.5
135.11703	12.4
141.08951	2.5
143.08588	16.6
145.10126	30.1
147.08078	5.4
147.11694	52.2
147.73817	2.8
149.09610	10.8
149.13280	12.4
151.11183	4.7
157.10138	7.9
159.11694	19.6
161.09593	5.6
161.13246	22.5
163.11159	7.4
169.10141	4.3
171.11700	30.4
173.13278	8.8
175.11313	3.0
175.14810	5.9
177.12659	4.0
179.14381	3.1
185.13295	7.4
189.12790	13.7
195.13754	3.8
197.13266	3.3
207.13797	23.9
225.14902	5.0
235.00842	2.7
241.19502	15.1
257.19083	5.9
259.20645	29.3
263.16785	3.0
269.17545	16.7
269.89694	2.7
275.20020	12.6
279.15976	9.6
281.17502	79.9
313.27344	10.0
330.36615	2.9
333.24265	14.5
335.25717	5.8
349.23807	5.6
447.32367	5.2
475.30640	61.2
539.30408	3.8
539.37463	39.2
555.36823	13.7
557.38196	19.6
591.55945	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	932.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	5.4
67.05510	62.8
69.03419	7.2
69.07070	22.7
71.00886	3.1
71.01221	1.7
71.04984	5.8
73.02915	1.8
79.05497	82.0
80.06832	1.8
81.03429	14.6
81.07059	58.3
82.18372	1.8
83.04988	15.5
83.08602	10.8
85.02905	8.5
85.06543	2.9
91.03953	3.1
91.04911	2.0
91.05489	56.4
93.07047	73.8
95.04976	17.7
95.08613	36.0
97.02890	4.1
97.06542	17.1
97.10163	7.0
99.08096	1.7
102.43451	1.6
103.05466	2.5
105.04533	2.7
105.07034	47.8
107.04994	11.5
107.08601	33.0
109.06525	7.0
109.10164	10.7
111.04404	1.8
111.08083	3.6
115.05427	3.2
117.07006	13.5
119.08585	26.3
120.86298	1.9
121.06496	5.4
121.10163	14.1
123.08067	6.5
123.11763	3.1
125.09628	6.3
127.03928	6.0
127.07532	2.1
128.06258	2.3
129.07002	14.0
131.08557	13.7
133.10144	21.3
135.08022	4.6
135.11725	11.1
137.09500	2.2
139.11227	2.0
141.07013	2.6
143.08583	9.5
145.10124	19.0
147.08051	3.5
147.11708	31.5
149.09633	10.9
149.13258	7.3
151.11198	3.3
153.01909	2.5
157.10109	3.7
159.11703	9.5
161.09608	3.9
161.13318	10.8
163.11194	9.4
169.10144	1.7
171.11685	20.2
173.04456	3.0
173.13264	4.8
177.12726	2.7
179.14357	1.9
183.11713	3.3
187.11220	2.4
187.14755	2.6
189.11229	2.3
189.12784	6.9
197.13246	1.9
207.13857	15.0
227.12761	6.3
239.17937	2.7
255.16032	4.3
257.19016	6.9
269.17496	9.8
275.20071	30.9
279.15726	2.6
281.17487	60.6
293.21185	2.6
310.78262	1.8
313.27328	5.8
335.25751	3.9
349.23770	14.0
367.24835	1.7
435.27438	5.0
451.27127	5.3
461.28964	22.1
475.30588	100.0
476.30481	2.0
537.35425	3.0
555.36859	44.1
573.37488	8.6
573.48083	2.8
573.58539	1.7
595.79926	1.9
597.59021	1.7
619.34314	3.1
699.40656	2.0
774.49719	2.1
807.97955	1.9
896.45673	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.6155
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	2.6
67.05510	49.6
69.06734	2.1
69.07074	28.2
69.17081	3.0
69.17490	16.6
69.28596	1.5
71.04974	3.4
71.08639	4.0
73.02902	4.3
79.05495	32.9
81.03389	2.2
81.07062	57.5
83.08620	23.1
85.02908	20.9
91.03975	12.1
91.05492	14.2
93.06490	2.8
93.07052	41.8
95.08612	48.5
97.02892	11.4
97.06516	4.4
97.10213	11.7
105.07053	11.4
107.08607	22.3
109.10165	16.4
111.08070	2.5
111.11745	2.6
113.09686	2.0
115.96477	1.7
117.07011	6.1
119.08591	9.1
121.03278	1.6
121.10158	25.5
123.11742	11.3
125.09695	2.7
127.03914	3.7
131.08559	6.9
133.10126	8.5
135.11717	17.4
137.13234	4.3
139.11200	2.8
145.04999	7.3
145.10094	6.4
147.11668	6.9
149.13248	10.2
159.11681	5.2
161.13210	3.4
163.06010	7.7
163.14769	3.5
173.13239	4.5
187.14830	2.9
219.20934	1.9
219.34795	2.1
225.25143	2.2
237.22165	4.2
243.21074	8.1
261.22177	34.6
309.24127	2.6
311.25818	100.0
312.26486	2.2
317.24805	5.6
335.25815	80.0
336.26300	2.3
337.27280	2.0
425.68182	2.1
497.43774	3.4
571.47266	38.5
589.48376	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	921.136
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	0.1
68.99796	0.3
69.03434	0.4
69.19573	0.3
69.20007	0.6
79.01858	6.2
83.04985	1.7
87.00838	0.2
91.05501	0.1
97.02903	1.3
107.01318	1.3
109.02893	0.1
111.04446	17.4
112.04812	0.1
123.00791	0.3
125.02355	3.0
143.03403	6.6
145.06534	0.2
147.04430	0.1
153.01839	100.0
153.02882	6.3
154.02156	1.0
165.01894	0.2
165.05585	0.1
173.06010	0.3
175.03935	0.1
179.03389	0.2
181.01302	0.7
185.30449	0.1
189.05499	0.1
193.05009	0.2
196.29591	0.1
197.00850	0.4
201.05450	0.8
203.03467	0.2
217.04984	0.4
219.06534	1.7
219.08568	0.1
221.04453	1.0
223.02382	0.6
223.70798	0.1
229.05087	0.1
234.53506	0.1
235.06050	0.3
245.04504	0.5
257.04510	0.1
263.05518	7.0
273.03964	0.2
281.06583	0.9
285.03967	0.1
292.44965	0.1
297.03934	0.2
301.03522	0.2
315.05115	0.1
319.04456	0.7
321.03143	0.1
325.03348	0.1
328.05594	0.1
329.02942	2.0
330.03128	0.1
331.04483	1.4
343.04498	0.7
355.04352	0.1
357.06107	0.2
361.05499	0.4
365.06897	0.1
365.69876	0.1
369.06058	0.9
371.04315	0.1
373.05548	0.1
383.07693	0.5
385.05630	1.1
387.07184	0.1
411.07172	2.0
412.07480	0.1
429.08237	1.4
447.09082	0.4
513.06702	0.1
537.06299	0.4
581.08673	0.1
599.10315	0.7
603.09839	1.5
617.10986	0.3
751.11005	0.1
769.11774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.2
67.05497	0.3
69.03421	0.7
70.06602	0.2
71.50565	0.1
77.21377	0.1
79.01855	3.9
83.04982	1.5
85.02895	0.2
85.64588	0.1
87.00838	0.2
91.05485	0.3
97.02895	1.0
102.01402	0.1
105.07087	0.1
107.01323	0.9
111.00708	0.1
111.04448	2.6
115.05497	0.1
121.06508	0.1
123.00809	0.1
125.02355	2.3
127.03931	0.1
129.05476	0.3
131.04980	0.1
133.02893	0.2
139.03915	0.2
143.03401	5.2
145.06477	0.3
147.04454	0.4
151.03909	0.3
153.01837	100.0
153.02872	5.5
154.02153	1.0
161.05992	0.3
163.03879	0.6
165.01840	0.2
165.05510	0.2
171.04347	0.1
173.05946	0.6
175.03935	0.3
179.03389	1.4
179.06990	0.1
181.01315	1.2
187.03853	0.1
189.05464	0.2
191.03384	1.2
191.07101	0.3
193.04965	0.3
195.02930	0.3
201.05481	1.2
203.03471	0.3
207.02908	4.2
209.04414	0.5
211.89995	0.1
217.04930	0.6
219.03104	0.2
219.06529	3.4
219.08586	0.2
221.04459	1.7
223.02345	0.8
235.06021	0.7
237.03946	1.0
245.04495	0.9
245.06802	0.1
251.05602	0.2
259.02444	0.1
263.03040	0.1
263.05539	2.2
281.06577	7.8
282.07022	0.2
285.04266	0.1
288.62268	0.1
297.03976	0.1
301.03412	0.3
305.02917	1.4
311.05450	0.1
319.04501	1.7
329.02957	1.7
329.06537	0.2
331.04544	0.8
343.04449	0.5
355.04578	0.2
357.06030	0.3
359.04214	0.2
361.05551	0.7
373.05530	0.2
380.53906	0.1
385.05557	1.4
389.05054	0.8
411.07230	0.7
429.08182	0.5
433.07675	0.3
447.09299	0.7
465.10202	0.3
491.33578	0.1
599.10132	0.3
617.11499	0.2
696.42413	0.1
751.11133	0.2
769.12964	0.1
810.28217	0.1
849.73035	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	920.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	2.3
67.05510	49.0
69.03421	2.4
69.07073	9.4
70.06611	0.5
71.04999	15.6
73.02924	2.4
77.03936	0.7
78.04742	0.4
79.05499	28.4
81.03420	2.0
81.07062	72.9
82.07410	1.0
83.04996	2.8
83.08625	5.9
85.02908	7.8
85.06547	6.9
87.04469	1.0
91.03971	4.9
91.05487	23.5
92.05798	0.4
93.07050	32.3
95.04970	2.7
95.08614	23.3
95.09243	0.6
97.02901	4.6
97.06544	3.4
97.10177	2.5
99.04481	0.7
99.08091	0.9
100.98909	0.4
105.04530	1.0
105.07036	13.1
107.08601	17.9
109.06525	1.7
109.10162	10.9
111.08099	1.4
115.03941	0.6
116.07124	0.5
117.07026	4.4
119.08594	7.8
121.10154	13.8
123.08131	0.9
123.11723	10.9
125.09631	0.9
127.03925	2.2
127.07597	0.4
129.05476	0.6
129.07040	0.5
131.08583	7.4
133.10143	15.3
135.08118	0.4
135.11707	8.5
137.13303	0.5
143.08571	0.8
145.04962	1.8
145.10124	3.6
147.11717	3.8
149.09631	0.6
149.13258	5.3
151.11192	5.4
153.01849	0.6
153.12791	0.7
157.10149	0.9
159.11714	4.9
161.13274	2.6
163.06015	2.0
163.11313	0.5
163.14882	1.0
165.12784	0.6
169.12329	0.9
171.11743	0.7
173.13263	1.6
175.14777	0.9
177.07784	0.5
177.12759	1.7
179.14317	0.7
183.13872	1.4
184.79381	0.4
185.13362	0.6
187.13318	3.0
187.14828	0.8
195.13853	1.5
201.14899	0.9
227.16435	0.7
243.15991	0.6
243.21107	0.6
253.18013	0.6
257.17596	1.6
259.20728	0.5
261.22214	2.7
269.17487	5.0
283.19205	0.8
301.20105	10.1
317.24753	0.8
333.24234	0.6
335.25803	23.2
336.26144	0.8
363.25510	0.6
382.36255	0.4
411.32355	0.6
437.34360	1.1
445.24069	1.0
485.36288	2.2
485.72989	0.5
503.37354	73.8
504.37735	2.9
511.37805	0.7
517.38928	2.8
529.38947	15.3
530.39429	0.8
547.40009	1.0
561.41547	100.0
562.41968	5.4
647.40948	0.6
660.00879	0.4
673.42719	0.5
691.44318	0.6
705.45245	1.9
766.51501	0.5
901.68304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.8
67.05508	52.5
68.63925	0.5
69.03425	3.7
69.07071	10.0
71.04995	18.2
73.02927	3.3
73.30320	0.6
75.20155	0.6
77.03886	0.7
79.05492	31.8
79.76054	0.6
81.03418	1.4
81.07057	80.4
82.07410	0.8
83.04978	4.4
83.08621	6.8
84.02943	0.6
85.02428	1.0
85.02908	10.4
85.06554	7.1
91.03963	6.5
91.04906	1.0
91.05482	26.3
93.07047	35.8
95.04975	2.2
95.08608	25.1
97.02887	5.6
97.06512	3.8
97.10162	1.3
97.52852	0.6
99.04427	0.7
99.08066	1.9
103.05435	0.9
105.04535	1.1
105.07034	15.4
107.04922	0.6
107.08595	20.7
109.06515	1.9
109.10152	13.2
111.08080	2.7
114.66831	0.6
116.07063	0.7
117.07007	4.7
119.08580	9.7
121.06510	1.1
121.10147	13.8
123.08088	0.8
123.11720	13.2
127.03934	2.2
131.08591	8.9
133.10130	15.9
135.11693	10.7
137.13251	0.8
139.11325	0.9
143.08543	0.9
145.04987	2.6
145.10129	5.2
147.11691	3.5
149.13261	5.7
151.11162	6.2
153.12740	1.5
157.10165	1.5
159.11697	6.6
161.13231	3.0
163.06027	2.4
163.14861	1.0
169.12233	1.6
171.11639	0.8
173.13295	2.8
175.14842	0.9
177.12766	2.6
183.13858	1.9
185.13310	1.9
187.13313	3.4
187.14818	1.2
195.13794	0.9
197.13278	0.9
227.16460	2.9
243.15981	0.9
253.17999	1.3
257.17560	1.3
259.20871	1.0
261.22147	2.3
269.17468	4.7
301.20074	19.3
317.24817	0.9
335.25815	17.4
393.31750	0.8
411.32578	1.7
437.34256	1.8
445.24625	0.9
455.35364	0.8
485.36252	4.9
503.37323	80.0
504.37814	3.4
511.37964	2.3
517.38776	3.2
529.38940	26.9
530.38971	1.7
547.40057	1.3
561.41522	100.0
562.41895	4.2
673.43048	0.7
705.45203	1.2
920.52063	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.199
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	0.6
66.36855	0.6
67.05507	0.9
68.99796	9.2
70.45402	2.1
77.03915	0.7
81.03421	4.8
83.04993	1.1
93.03421	0.7
95.04955	2.5
99.04501	0.6
105.03383	1.3
106.87406	0.8
109.02888	9.7
111.00813	10.2
111.04430	2.0
111.78296	0.6
115.05468	0.8
119.04968	2.1
121.02876	2.3
123.03567	1.3
123.04440	18.7
127.03926	70.5
128.04257	1.0
131.04965	0.8
133.02866	5.5
135.04486	3.4
137.02382	1.1
137.05946	1.0
139.03909	100.0
140.04279	0.9
145.06537	0.7
147.04433	7.2
149.02347	5.7
151.03911	58.5
152.04373	1.0
153.01869	4.3
153.05450	1.6
155.03398	16.8
155.04590	0.7
157.06540	1.2
159.04439	1.4
161.02286	1.4
161.05997	2.4
163.03906	9.3
165.05527	2.4
167.03409	2.9
169.04996	2.3
171.04356	3.8
173.05980	1.1
175.03917	11.5
177.01859	0.9
177.05486	8.7
179.03403	56.0
181.04939	2.7
183.04414	1.0
185.06013	2.5
187.03926	0.9
189.05519	5.3
191.03407	10.0
193.04980	2.4
197.05974	0.9
199.03923	4.3
201.05508	4.6
203.01483	1.3
203.03398	22.4
205.04984	2.8
211.03963	1.2
213.05490	7.4
215.03355	1.4
217.04970	7.8
219.02846	0.8
219.06548	1.2
221.04453	1.1
223.02425	3.1
225.05478	1.0
229.04977	7.1
231.06483	3.6
233.04454	5.3
241.05000	4.7
243.00487	0.7
245.04474	84.7
246.04739	1.4
247.06068	2.1
251.05443	0.8
253.04967	1.9
257.04465	19.7
258.05106	1.1
259.06073	5.2
263.05518	43.2
264.05865	0.7
269.04468	6.8
270.05042	0.8
271.06107	3.1
274.04764	0.8
275.05518	24.5
277.07095	9.2
279.06631	0.7
281.04446	2.3
283.06009	1.7
285.04037	1.7
287.05508	59.1
288.05869	1.9
289.07016	3.5
293.04550	1.4
293.07819	0.9
295.06088	2.1
297.03925	2.8
299.05524	16.6
300.05936	0.7
303.90497	0.7
305.06561	33.7
306.07001	1.1
307.08240	11.5
309.04004	1.6
311.05490	2.2
317.06595	24.3
321.03992	1.5
321.07605	1.4
323.05618	1.0
329.06549	1.3
339.04883	0.9
347.07797	1.1
349.07092	1.9
351.04913	2.2
377.06296	1.1
379.08221	1.0
381.05939	1.8
389.06384	0.7
393.06097	5.4
395.07547	2.2
399.07034	2.4
405.06085	4.9
407.07739	2.2
411.07071	1.4
413.08704	4.6
417.06055	1.1
423.07092	17.3
424.07294	0.8
425.08649	19.2
426.09268	1.0
435.07391	4.1
437.08823	1.7
441.08179	12.5
443.09778	35.9
444.09897	1.1
447.06973	1.0
449.08585	1.6
453.08157	4.4
455.09903	1.7
465.08112	2.9
467.09705	2.8
483.09192	1.2
485.10486	1.4
543.08698	1.3
549.09937	1.9
561.10266	3.9
567.11200	2.3
573.09863	1.0
609.12384	1.1
611.13660	1.9
621.12207	1.1
711.12927	0.8
729.13965	1.9
747.15088	2.1
782.60260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.162
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43016	0.4
65.03944	1.6
67.05503	1.2
67.51262	0.4
68.99793	6.8
69.03471	0.4
70.49037	1.1
77.03953	0.5
79.01858	4.6
79.05465	0.7
81.03420	3.7
85.40025	0.4
91.05474	0.6
95.04974	1.6
97.02895	1.4
98.20909	0.4
99.04451	0.7
105.03407	0.9
107.01347	1.6
107.04964	1.0
109.02885	5.8
111.00809	7.1
111.04448	1.6
115.05443	0.5
115.59043	0.4
119.04895	1.0
121.02876	1.7
121.06551	0.6
123.04433	12.1
125.02346	2.2
125.71638	0.4
127.03922	55.2
128.04256	0.6
131.04938	0.9
133.02818	2.9
135.04414	1.5
137.02399	0.6
137.06000	1.3
139.03906	76.3
140.04253	0.8
143.03406	5.9
145.06532	0.5
147.04404	5.0
149.02344	3.0
149.05937	1.3
150.03081	0.7
151.03911	37.4
152.04280	0.6
153.01836	100.0
153.02892	5.1
154.02148	1.1
155.02126	0.6
155.03392	9.6
157.06522	1.0
159.04399	1.5
161.02344	1.0
161.05971	2.2
163.03909	11.1
165.01813	0.6
165.05495	1.9
167.03424	4.8
167.04819	0.8
169.06549	0.6
170.39784	0.4
171.04382	2.1
173.05981	1.0
175.03915	8.6
177.01897	0.6
177.05470	3.5
179.03403	26.7
181.04927	0.9
183.04396	0.8
185.05977	1.6
187.03897	1.0
189.05478	4.2
191.03416	8.0
193.05023	2.5
197.06042	1.0
199.03920	3.6
201.05449	4.3
203.03407	14.2
205.04958	4.9
213.05492	6.5
215.03290	1.4
217.04976	4.8
219.06503	1.0
221.04420	0.7
223.02275	0.9
225.05527	0.5
227.03389	1.1
229.04996	4.9
231.06487	2.5
233.04469	4.8
233.70425	0.4
241.04994	2.7
243.06592	0.7
245.04469	15.0
247.06029	1.2
251.05527	0.7
253.04980	0.8
257.04459	13.1
259.05984	4.0
263.05518	34.3
264.05750	0.6
269.04456	4.1
271.06018	2.2
275.05499	11.5
277.07071	4.7
281.04584	1.1
285.04025	0.5
287.05511	40.6
288.05789	1.3
289.07031	9.6
290.10217	0.5
291.05002	0.5
295.06146	0.4
299.05505	10.6
301.07111	1.1
305.06561	17.5
306.06876	0.4
311.05453	0.7
313.07025	0.8
317.06580	15.3
323.05548	1.7
338.62140	0.5
339.08435	0.7
341.06470	0.5
365.06476	0.8
395.07568	0.9
407.07623	7.3
425.08676	20.1
426.08774	0.9
428.13303	0.7
433.29111	0.4
441.08188	5.3
443.09830	3.1
449.08737	1.5
457.07565	1.0
467.09665	2.0
469.07581	1.4
531.73163	0.5
535.57782	0.5
575.11700	1.3
577.09912	3.5
595.10846	2.7
619.10052	0.8
665.29907	0.5
729.10297	1.2
747.12262	4.1
850.69409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.3
67.05498	0.5
68.99436	0.8
68.99793	9.6
69.03409	0.4
69.31593	1.2
69.32019	2.1
75.76221	0.4
79.01852	5.1
81.03409	1.9
83.04952	0.5
85.57566	0.4
91.05460	0.7
93.03387	0.5
95.04970	1.1
97.02900	1.3
99.55542	0.4
105.03421	0.9
107.01320	1.8
107.04984	0.5
109.02871	5.9
111.00806	7.1
111.04446	1.2
115.05437	0.7
117.07043	0.9
119.04937	1.0
121.02879	1.7
121.06556	0.6
123.04436	10.8
125.02376	3.0
127.03927	27.4
129.07021	0.7
131.04951	1.0
133.02829	3.4
135.04411	1.8
137.02357	0.4
139.03906	66.7
140.04221	0.9
141.07045	0.9
143.03404	5.6
143.04626	0.5
143.04929	0.5
145.02835	0.8
145.06459	1.0
147.04408	4.2
149.02351	4.3
149.06018	1.2
150.03099	0.8
151.03909	32.5
153.01834	95.9
153.02904	5.7
154.02136	1.1
155.03401	10.4
155.04767	0.9
157.06483	1.5
159.04446	1.1
161.02306	0.5
161.05991	1.6
163.03911	10.6
165.01888	0.5
165.05466	1.4
167.03391	3.3
169.06537	1.1
171.04404	4.8
173.06003	2.5
175.03915	8.5
177.01859	1.7
177.05472	4.2
179.03400	20.0
180.03802	0.5
181.04961	1.6
183.04424	1.3
185.05965	2.4
187.03889	1.6
189.05495	4.0
191.03389	4.6
191.07053	0.5
193.04936	2.8
197.06007	2.1
199.03931	9.2
201.05484	5.9
203.03395	13.5
203.06973	0.7
205.01472	0.8
205.04968	5.3
211.03938	1.3
213.05487	8.3
215.03424	1.4
217.04970	8.0
219.06523	3.8
223.02159	1.9
225.05440	1.2
227.03339	2.3
229.04950	5.5
231.06506	3.5
233.04443	2.9
237.05542	0.9
239.03423	0.6
241.04930	5.3
242.05560	0.5
243.02992	0.4
243.06433	1.1
245.04459	18.0
247.05983	1.4
251.03261	0.4
251.05705	0.6
253.04979	2.2
257.04465	11.1
258.04910	0.6
259.06009	4.5
263.05505	17.6
264.06009	0.5
265.05026	0.6
267.41281	0.5
269.04459	6.2
270.04791	0.4
271.06000	5.0
275.05493	11.2
277.07092	5.1
281.04428	1.9
283.05890	0.7
287.05505	100.0
288.05798	2.7
289.04034	0.6
289.07059	3.7
291.04889	0.7
297.04065	0.9
299.05511	27.2
300.06039	1.0
301.07007	0.7
303.04971	1.5
305.06543	12.8
307.08017	0.8
311.05423	2.7
313.07022	0.6
315.04868	0.5
317.06552	8.2
323.05643	0.8
331.04575	1.8
379.07629	0.5
389.06845	0.6
407.07666	4.3
425.08676	25.0
426.08939	0.4
431.07861	0.4
437.08539	1.2
441.08096	3.3
443.09662	2.3
449.08765	2.5
457.07639	0.6
459.09177	0.5
467.09732	0.9
469.07458	0.7
575.11676	0.8
577.09735	2.0
595.10510	1.8
619.10577	0.5
680.60095	0.5
747.11798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.3
67.05505	11.4
69.03422	1.6
69.07067	6.8
70.07312	1.9
70.31280	0.7
71.04980	1.3
71.08633	16.2
73.02892	1.0
79.05493	7.7
81.03419	53.8
81.07057	15.7
83.04991	2.4
83.08617	16.2
83.09107	1.0
85.02904	5.4
85.06528	0.8
85.10183	13.1
89.06056	1.3
91.03957	2.8
91.05482	9.0
93.07050	5.4
95.04967	16.0
95.08607	18.1
97.02897	3.2
97.06546	1.5
97.10167	5.0
98.20868	0.9
98.25246	0.8
99.11777	0.7
103.05493	0.8
103.07555	1.0
105.07032	7.6
107.04955	4.5
107.08601	3.2
109.06514	1.4
109.10169	8.8
111.08067	5.3
111.11707	1.0
111.87043	0.6
115.05488	0.9
119.08601	6.8
121.06527	1.9
121.10123	4.6
123.04412	1.6
123.08038	1.8
123.11719	2.9
127.03891	1.3
129.07002	5.6
131.08583	5.8
133.06493	2.2
133.10121	2.7
135.08064	0.9
135.11673	0.9
137.09586	0.7
142.07755	1.9
145.04922	1.3
145.10059	1.0
147.08006	1.0
147.11696	3.9
149.09621	2.4
157.10149	6.3
163.06010	3.2
163.11169	1.3
165.12746	2.1
175.11188	5.9
193.12250	21.7
194.83435	0.9
205.72614	0.8
235.13283	2.1
239.23645	1.6
243.94746	0.7
251.05836	0.7
257.24768	3.4
259.13205	2.2
267.15921	100.0
268.16309	1.9
301.14328	2.5
309.17010	3.4
313.27362	97.5
314.27591	2.0
319.15128	0.9
505.38904	85.0
506.39365	3.8
523.40021	1.4
547.39984	6.2
601.40924	2.5
613.41119	1.6
631.41736	2.2
649.42438	1.4
712.48285	1.0
914.54144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.569
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.8
67.05508	12.7
69.03432	1.9
69.07070	6.2
71.04982	1.0
71.08635	18.1
71.51966	1.1
73.02901	1.3
79.05136	0.7
79.05506	8.0
81.03423	56.3
81.06604	1.0
81.07064	18.2
83.04989	3.7
83.08156	1.4
83.08624	18.3
85.02902	4.6
85.06510	0.9
85.10188	13.0
88.21030	0.7
89.06013	1.7
91.03961	3.3
91.04967	1.2
91.05487	11.3
93.07041	6.9
94.51357	0.7
95.04981	16.5
95.08614	16.3
97.02908	4.0
97.06519	1.3
97.10168	4.4
99.04469	0.8
103.07542	0.8
105.07043	8.0
105.91539	0.7
107.04955	4.5
107.08586	3.7
109.06529	1.8
109.10163	8.9
111.04486	1.7
111.08101	4.9
116.88465	0.7
117.06998	1.5
119.08585	7.4
121.06480	2.1
121.10152	3.0
123.04462	1.3
123.11697	3.0
125.09647	0.7
127.03941	1.8
129.07028	5.7
131.08578	5.6
133.06494	2.7
133.10147	2.9
135.08130	0.7
135.11699	1.0
137.05977	1.0
137.13281	1.0
139.03941	0.8
142.07779	1.8
145.04933	2.0
145.10086	1.6
147.04448	1.3
147.08054	1.9
147.11655	4.5
149.09627	3.1
157.10130	7.1
163.06001	2.9
163.11160	1.2
165.12660	0.8
175.11185	7.0
189.05305	0.8
193.12263	20.4
211.13333	1.6
235.13242	1.6
239.23709	2.7
249.14879	1.1
257.24869	2.0
259.13321	1.6
267.15933	100.0
268.16315	2.2
273.14859	1.1
301.14331	2.1
309.16971	3.1
313.27377	97.1
314.27789	2.8
318.99771	0.7
319.15350	0.8
428.49890	0.7
505.38910	84.0
506.38943	2.8
519.40723	0.9
543.74988	0.8
547.39996	5.8
589.40485	1.0
601.40936	2.1
613.40674	1.4
631.41815	2.2
649.42950	1.2
854.27692	0.8
915.48364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	3.3
69.03430	3.2
69.07085	0.8
69.40533	0.8
69.40936	2.8
70.45952	0.3
71.01355	0.5
71.05007	0.6
73.02909	2.7
79.05498	3.3
81.03427	1.9
81.07056	3.3
83.04974	0.8
83.08633	0.7
85.02905	6.2
91.03966	3.5
91.05471	2.4
93.07054	3.8
95.04998	0.7
95.08606	2.8
97.02897	5.3
98.20863	0.7
99.04472	0.8
101.02402	1.4
105.07053	2.2
107.08623	1.1
109.02914	0.5
109.10168	0.8
115.03934	0.7
117.07048	0.4
119.08620	1.2
121.10179	0.9
127.03903	1.9
131.08624	0.5
133.10168	0.7
135.11728	0.6
140.29988	0.4
145.10223	0.5
147.11708	1.6
153.01837	0.5
159.26392	0.4
161.13290	0.5
161.33293	0.3
169.02917	0.4
171.11754	0.8
185.04311	1.0
203.05257	0.9
243.08441	2.1
303.15720	0.5
335.25894	0.7
347.09454	2.0
365.10767	0.6
405.13641	4.0
413.28348	0.5
465.20984	5.4
519.29321	3.6
564.73737	0.5
587.58582	0.5
627.26385	5.1
681.34570	4.6
743.43414	1.5
905.48712	100.0
906.48999	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	905.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
63.53554	0.1
65.03954	0.2
68.99780	0.2
69.03427	0.5
79.01857	5.9
80.81737	0.1
83.04988	1.7
87.00842	0.1
91.05476	0.5
93.07029	0.6
95.04956	0.3
97.02907	1.2
102.04634	0.1
103.05484	0.5
104.32537	0.1
107.01320	1.2
111.04446	17.8
112.04762	0.2
112.79634	0.1
121.06508	2.1
122.06857	0.2
123.00811	0.3
125.02351	3.1
137.02374	0.7
140.88985	0.1
143.03406	6.3
145.06508	0.4
147.04425	0.2
153.01836	100.0
153.02895	6.3
154.02167	0.9
173.06061	0.4
181.01331	0.6
186.78464	0.1
191.07060	0.2
193.04901	0.2
197.00793	0.3
201.05455	0.9
203.03378	0.2
217.04921	0.2
219.06516	1.9
221.04401	0.7
223.02428	0.5
228.91397	0.1
235.06244	0.1
245.04446	0.4
263.05521	6.9
280.48621	0.1
281.06512	0.8
303.04886	0.7
315.04977	1.3
324.26413	0.2
327.05029	0.5
329.03119	0.2
340.26395	0.2
341.06589	0.4
345.06024	0.4
353.06586	1.1
355.04074	0.1
367.08246	0.3
368.25922	0.5
369.06070	0.8
369.26376	0.2
386.26843	0.4
395.07690	1.6
404.27777	0.1
413.08765	1.1
442.29630	0.2
460.30518	0.9
461.30835	0.2
521.06989	0.5
558.91772	0.1
583.10803	0.8
603.00861	0.1
603.09924	1.4
735.11230	0.2
753.12695	0.6
904.46655	2.0
905.31482	0.2
905.47388	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.141
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.1
68.99774	0.1
69.03442	0.4
69.07043	0.1
70.06573	0.1
71.50817	0.1
71.51217	0.1
79.01853	6.3
79.05508	0.1
81.03407	0.1
83.04981	1.6
85.02892	0.2
85.06554	0.1
87.00822	0.1
88.66753	0.1
91.03952	0.1
91.05027	0.1
91.05495	0.6
93.05353	0.1
93.07053	0.7
95.04958	0.2
97.02897	1.4
103.05458	0.7
107.01315	1.2
111.04443	17.0
112.04757	0.1
117.07051	0.1
121.06506	2.8
122.06858	0.2
123.00793	0.3
125.02351	3.0
132.08026	0.1
137.02338	0.6
137.03355	0.1
143.03400	6.3
145.06509	0.2
147.04414	0.1
148.26213	0.1
153.01833	100.0
153.02846	6.5
154.02167	1.0
159.04366	0.1
161.05984	0.1
163.03943	0.1
171.04329	0.1
173.06021	0.4
175.03981	0.1
181.01318	0.7
189.05486	0.1
191.07083	0.1
193.05075	0.1
197.00787	0.5
201.05429	0.9
203.03471	0.2
211.02380	0.1
217.05038	0.3
219.06538	1.7
219.08623	0.1
221.04463	1.0
223.02370	0.5
229.05112	0.1
235.06204	0.3
245.04460	0.4
263.05515	7.6
264.05914	0.1
265.58707	0.1
281.06549	0.9
285.04062	0.1
302.04330	0.1
303.05072	0.7
303.53149	0.1
315.04990	1.5
316.06107	0.1
324.26828	0.1
327.04861	0.7
339.09058	0.1
340.26288	0.2
341.03098	0.1
341.06802	0.3
345.06137	0.6
349.07217	0.1
353.06577	1.2
355.04504	0.1
367.08255	0.4
368.25912	0.7
369.06012	0.7
369.26321	0.3
371.07834	0.1
386.26932	0.4
387.07385	0.1
395.07593	1.8
404.28101	0.2
413.08719	1.3
431.09845	0.2
442.29782	0.1
451.08676	0.1
460.30615	1.2
461.31027	0.4
521.07166	0.6
583.10864	0.6
601.11462	0.1
603.09729	1.4
604.09717	0.1
735.12238	0.2
753.13043	0.6
821.57825	0.1
904.46954	2.7
905.47229	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	2.4
67.05508	47.1
69.03437	2.2
69.07071	16.5
70.17187	0.8
70.17590	1.6
71.04990	3.7
71.08628	0.9
71.66540	0.5
72.65887	0.5
73.02914	3.5
79.05498	31.6
81.03425	2.0
81.07060	76.7
83.04987	4.5
83.08626	7.9
85.02907	9.4
85.06535	3.6
91.03967	5.2
91.04907	1.0
91.05486	26.9
93.07050	30.5
95.04981	3.1
95.08610	37.0
97.02902	4.5
97.06528	4.6
97.10176	2.0
99.04462	1.1
99.08060	2.9
101.06059	0.7
105.04514	0.9
105.07036	29.4
107.04963	0.9
107.08599	19.6
109.06509	3.7
109.10165	11.1
111.08113	1.3
113.06027	1.2
117.07022	3.5
119.08588	23.2
120.08965	0.6
121.06518	2.8
121.10151	24.8
123.08078	3.1
123.11709	22.3
127.03902	1.4
127.07584	1.8
129.06992	1.3
131.08580	6.8
133.10129	6.8
135.11705	7.9
137.09624	0.9
137.13260	2.7
143.08629	0.7
145.05003	1.6
145.10129	5.5
147.04486	0.6
147.11697	45.6
149.09648	1.1
149.13255	4.9
151.11177	0.9
157.10124	2.2
159.11661	3.4
161.13260	2.1
163.06018	2.5
163.14827	2.0
164.07175	1.0
165.12762	15.5
173.13249	3.2
175.11208	2.1
175.14813	1.3
177.12714	0.6
177.16393	0.7
183.13800	1.8
187.14803	1.7
193.12230	2.1
229.14346	3.7
233.22636	0.8
243.21083	3.9
261.22183	16.2
267.15933	53.5
268.16360	1.0
269.38235	0.6
279.23309	2.9
285.16974	54.5
286.17505	0.8
314.11438	0.6
317.24780	2.5
335.25815	100.0
336.26071	3.4
353.26727	1.5
454.83774	0.5
471.34769	1.4
518.93024	0.6
527.37360	5.3
545.38422	58.2
546.38757	2.6
558.67596	0.7
563.39899	3.0
678.49158	1.1
840.22162	0.6
860.57861	0.7
904.59943	1.6
905.50562	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49630	0.8
65.03934	3.1
67.05513	48.4
69.03417	3.4
69.06734	1.3
69.07079	18.9
69.82046	3.8
71.05014	4.4
73.02912	2.8
79.05499	30.5
81.03429	2.0
81.07065	94.7
82.07355	1.0
83.04977	5.3
83.08629	8.9
85.02921	11.4
85.06548	6.4
85.10317	1.0
87.00403	0.9
91.03955	6.6
91.05492	30.8
93.07050	35.8
95.04977	2.7
95.08617	35.4
97.02892	6.7
97.06540	4.5
97.10157	2.8
98.21016	2.7
98.21576	1.1
99.08107	3.2
101.05984	1.5
105.07041	35.2
107.08602	23.1
109.06507	4.8
109.10166	12.6
111.08096	2.1
113.09639	0.9
115.03939	1.3
117.07022	4.3
119.08594	29.2
121.06537	1.3
121.10149	28.6
123.08061	4.2
123.11718	26.0
125.09641	1.8
125.92755	0.8
127.03954	2.3
127.07590	1.9
129.07007	2.1
131.08615	5.7
133.10164	8.7
135.11716	8.2
137.09612	1.2
137.13266	3.6
141.09114	1.2
145.04973	2.9
145.10112	5.6
147.11703	55.1
148.12015	1.3
149.09596	1.0
149.13260	5.1
151.14870	0.9
157.10124	3.6
159.11693	3.6
161.13232	2.8
163.06007	3.9
163.14832	3.8
163.71153	1.1
165.12767	23.5
166.13164	1.3
173.11871	1.1
173.13278	4.3
175.11212	2.2
175.14670	1.4
183.13834	3.0
185.04417	0.9
187.14880	2.5
193.12286	1.1
201.16415	1.2
229.14349	6.6
233.22600	1.5
240.75475	1.1
243.21114	7.4
261.22165	21.1
267.15942	67.6
268.16208	1.3
269.32004	0.9
279.23209	2.9
285.16989	100.0
286.17245	1.4
317.24646	3.6
335.25818	81.9
336.26202	2.8
353.26672	3.3
453.32980	1.4
471.34604	2.1
527.37573	8.3
545.38440	68.7
546.38745	3.8
563.39227	4.3
871.92871	1.1
894.98639	1.1
905.50098	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	1.3
67.05507	43.2
68.47767	1.0
68.87820	0.9
69.03439	1.0
69.07067	8.5
69.51315	2.4
69.51736	3.8
71.04990	1.9
73.02919	2.2
73.06557	1.2
75.83883	0.8
77.03935	1.2
79.05494	47.9
81.03419	3.6
81.07058	36.6
83.04987	7.9
83.08624	6.6
85.02911	3.4
85.06539	1.7
91.03960	1.7
91.05485	35.0
93.07048	50.1
95.04958	9.3
95.08612	26.4
95.38134	1.0
97.02911	1.9
97.06521	2.9
97.10171	2.0
98.20916	2.6
98.21493	1.6
105.04504	2.3
105.06322	1.2
105.07034	24.0
107.04980	2.9
107.08596	15.4
109.06517	4.3
109.10159	8.8
111.08123	1.1
115.05469	1.4
117.07030	7.1
119.08580	16.7
121.06544	2.4
121.10148	9.5
122.35382	0.9
123.08072	3.7
123.11760	1.6
125.09637	1.0
128.06186	1.3
129.07034	7.0
131.08585	7.0
133.10117	10.3
134.10455	1.1
135.08009	0.9
135.11707	5.7
143.08589	4.1
145.10115	11.2
147.08142	1.3
147.10530	1.3
147.11682	19.8
149.13258	2.9
159.11732	2.1
161.09657	2.6
161.13243	7.7
163.11253	1.3
163.14836	2.3
171.11674	11.1
173.13211	2.4
189.12721	5.5
207.13789	12.1
225.14951	1.1
243.21056	2.4
261.22095	7.7
279.15915	3.3
281.17484	90.2
317.24655	1.4
317.55270	1.0
333.23685	1.0
335.25781	27.7
449.33603	1.5
541.38934	100.0
542.39325	7.0
559.40173	5.2
617.58759	1.0
890.62842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.573
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46057	0.9
63.58324	0.8
67.05505	33.3
69.03412	1.6
69.07085	6.5
69.80621	2.0
69.81010	2.2
71.04990	13.5
71.08631	16.8
72.79417	0.9
73.02901	2.1
78.98511	0.9
79.05492	7.7
81.03412	1.7
81.07057	60.3
83.04974	2.0
83.08615	11.0
85.02904	7.6
85.06541	6.0
85.10181	9.5
91.03963	4.9
91.05470	12.7
91.05998	1.1
93.07040	8.3
95.08612	18.9
97.02874	5.1
97.06528	2.5
97.10194	5.1
98.09465	0.7
99.11749	1.0
105.07011	5.5
107.08595	5.4
109.06550	0.8
109.10164	10.4
111.59574	0.8
117.06988	1.1
119.08617	0.8
121.10082	1.4
123.08049	1.0
123.11703	12.9
127.03906	2.1
131.08600	2.4
133.10130	10.4
135.11725	1.5
145.04938	1.5
149.13281	2.5
151.11191	6.0
159.11713	2.5
163.06071	1.9
169.12289	1.2
177.12738	1.8
183.13841	1.9
187.13297	3.4
195.13690	1.4
199.37189	0.8
239.23636	2.4
257.24823	0.9
269.17465	5.9
301.20093	13.0
313.27319	15.0
315.07813	0.8
414.64014	1.0
481.38922	72.0
482.39075	3.1
495.40308	2.4
507.40338	7.2
539.43060	100.0
540.43488	5.2
729.68872	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.2
67.01471	0.2
67.05502	0.5
67.24878	0.1
68.86345	0.1
68.99783	0.3
69.03416	0.6
70.06572	0.2
70.70972	0.3
79.01854	6.4
79.05495	0.2
81.03401	0.2
81.07031	0.4
83.04989	1.9
85.02898	0.2
91.05469	0.3
95.04948	0.2
97.02906	1.1
105.07034	0.2
107.01308	1.4
107.04930	0.2
107.08575	0.2
109.57505	0.2
111.04443	16.8
112.04812	0.2
116.07106	0.2
121.02865	2.4
121.06520	0.3
123.00796	0.4
125.02351	2.9
131.04910	0.2
143.03400	6.1
143.04527	0.3
145.06490	0.4
147.04373	0.4
153.01836	100.0
153.02898	6.4
154.02153	1.0
165.09097	0.2
173.06026	0.5
175.03964	0.2
181.01282	0.9
183.02907	0.2
187.51508	0.2
191.07074	0.2
197.00900	0.4
201.05434	1.1
203.03410	0.2
217.05016	0.5
219.06493	1.6
221.04483	0.9
223.02423	0.4
235.06044	0.4
245.04549	0.5
263.05490	6.7
265.05444	0.2
281.06592	0.9
283.06363	0.2
287.05423	1.4
297.07730	0.2
299.05527	3.8
299.08624	0.3
300.06238	0.3
309.07721	0.2
311.05579	1.6
313.03528	0.2
313.07361	0.2
323.05725	0.3
323.09109	0.3
325.07193	1.4
327.05014	0.2
327.08716	0.3
329.06619	1.2
333.07593	0.4
337.07065	4.1
337.11060	0.2
339.05032	0.5
351.08649	1.4
353.06558	3.1
355.08279	0.2
371.07730	0.2
379.08121	5.3
380.08334	0.3
397.09222	3.9
415.10153	0.4
505.07599	1.5
549.10522	0.4
567.11176	2.1
585.12500	0.4
603.09790	1.2
719.12366	0.6
736.80365	0.2
737.13373	1.1
793.26898	0.2
889.14191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62128	1.4
65.03951	7.1
67.05511	100.0
69.03436	12.0
69.07075	44.8
70.06580	3.9
71.01365	2.4
71.04998	14.9
73.02911	1.9
77.03897	2.2
79.05498	75.9
81.03432	19.4
81.07062	88.0
83.04988	17.2
83.08621	18.8
85.02917	8.4
85.06541	5.2
91.03990	1.9
91.05489	67.6
93.07053	68.4
94.07389	1.6
95.04975	17.1
95.08613	43.7
97.02901	7.7
97.06538	32.0
97.10179	11.4
99.04445	1.9
99.08102	4.7
103.05462	2.9
105.04549	1.8
105.07040	47.5
107.04977	13.8
107.08607	43.4
109.02905	2.8
109.06528	16.6
109.09473	2.3
109.10164	33.2
111.04488	2.8
111.08089	7.9
113.05901	1.9
113.09633	2.2
115.05480	2.9
115.07568	2.1
116.07080	3.3
117.07024	23.1
119.04913	1.9
119.08588	33.9
121.06519	11.0
121.10149	21.2
123.08089	8.5
123.11705	6.4
125.09640	16.2
127.03921	3.3
128.06213	2.3
129.05499	2.7
129.07001	12.6
131.08585	31.4
133.06506	4.5
133.10147	27.3
135.08093	10.3
135.11707	16.7
137.09595	10.2
141.06990	4.2
142.07820	2.0
143.08595	9.7
145.06474	3.3
145.10133	22.9
147.08038	4.7
147.11703	15.7
149.09615	18.3
149.13252	12.6
151.11174	3.6
153.09125	1.9
155.08551	6.0
155.10652	2.1
157.06526	2.0
157.08990	1.4
157.10147	11.2
159.08051	4.0
159.11708	18.2
161.09615	4.5
161.13246	5.4
163.11223	12.1
164.07060	2.2
165.09090	2.5
165.12720	2.2
166.07880	2.5
169.10123	6.8
171.10260	2.7
171.11711	8.7
173.04521	4.1
173.09659	2.9
173.11742	5.7
173.13286	6.8
175.11246	2.8
177.12695	7.6
179.14323	2.8
181.10114	2.7
183.11679	5.7
185.13295	2.1
187.11194	3.0
189.11247	5.6
193.12212	2.4
195.11786	2.7
195.13795	2.3
197.13313	3.2
203.14244	2.2
205.12114	1.6
209.13297	2.4
211.14909	2.3
215.17938	1.4
217.15869	1.8
219.13766	2.0
223.13275	3.7
227.12791	10.5
229.14346	16.6
229.19746	2.7
233.15529	1.9
239.17981	2.9
243.15836	2.4
247.20473	1.9
251.16496	2.4
255.15945	5.7
257.19043	11.7
267.15875	2.7
269.17480	18.1
273.18491	9.9
275.17322	3.2
275.20108	40.5
289.18161	1.8
291.19559	11.3
293.17764	1.7
293.21133	4.1
309.20654	2.0
328.15634	1.5
331.22559	2.5
347.22147	2.2
349.23822	29.4
365.23129	4.5
367.24878	3.6
383.50735	2.0
395.20786	2.2
399.23590	3.3
409.25641	7.0
413.21832	2.3
423.27417	13.7
431.28317	3.3
433.30499	1.8
445.29556	6.0
449.29120	11.2
451.32309	2.3
463.30753	12.3
503.33798	9.2
521.34595	2.6
525.35553	8.2
529.35010	4.6
543.36816	43.0
544.36908	2.7
559.36194	2.5
561.38055	2.7
575.39191	3.2
593.34442	2.1
607.34473	6.9
621.42682	2.1
623.43121	8.2
639.42761	3.5
641.43781	2.8
655.43707	2.1
673.43646	2.6
687.40198	2.9
705.41956	3.5
888.52173	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	888.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	5.9
67.05511	100.0
69.03442	11.8
69.07073	46.5
71.01344	3.0
71.05000	15.1
71.51583	1.6
73.02925	2.4
79.05499	70.5
80.05811	2.0
81.03429	18.5
81.07062	82.3
83.04993	12.8
83.08624	17.6
85.02920	7.2
85.06543	5.3
91.05485	76.5
93.07050	71.3
93.07646	3.4
95.04986	18.4
95.08615	54.2
97.02897	6.2
97.06536	21.5
97.10180	11.2
99.04462	2.2
99.08100	2.6
99.33055	1.4
103.05484	1.7
105.04523	3.8
105.07036	60.6
107.04958	12.3
107.08608	42.6
108.08950	1.6
109.05889	1.3
109.06496	8.0
109.10165	35.1
111.04444	2.4
111.08076	9.2
113.09657	2.7
115.05462	3.2
115.07610	1.8
116.07063	2.3
117.07026	24.0
118.07849	1.5
119.08591	41.1
121.06510	7.9
121.10154	21.4
123.08066	7.9
123.11736	4.2
125.09633	10.2
127.03925	3.6
128.06252	3.7
129.05498	3.7
129.06979	16.6
130.07657	1.6
131.08569	26.5
133.06541	2.5
133.10156	30.4
135.08080	6.6
135.11710	16.9
137.09680	7.2
137.41292	1.5
139.11211	2.5
141.07024	5.5
142.07768	1.7
143.08594	12.4
144.09360	2.5
145.04955	2.0
145.06506	3.2
145.10126	22.2
147.08018	5.1
147.11707	18.4
149.09633	16.0
149.13257	11.5
151.11200	4.3
155.08598	6.4
157.10123	13.6
159.11719	19.7
161.09645	4.4
161.13324	8.5
163.11209	10.8
165.09126	2.6
165.12775	2.8
167.08585	2.9
169.10121	9.0
171.10393	1.6
171.11705	9.1
173.04492	3.3
173.09625	3.0
173.11765	6.5
173.13286	8.1
175.11237	3.4
175.14778	2.6
177.12796	5.1
179.08614	1.6
179.10712	2.2
179.14354	5.6
181.10239	3.4
181.12288	2.1
183.11694	9.9
185.13260	7.0
187.11234	3.0
187.14796	2.2
189.09109	1.5
189.11186	2.5
189.12816	1.8
189.16626	1.7
193.12227	2.0
195.11719	4.1
195.13843	5.2
197.13342	4.0
199.14856	5.6
201.12865	2.1
205.15710	1.6
209.13312	4.0
209.15350	1.8
221.13295	2.6
227.12817	8.4
227.17949	1.6
229.14345	15.5
229.19450	2.3
239.18011	2.9
241.19531	4.3
243.15939	1.8
247.20641	2.7
253.14226	2.3
253.18048	1.8
255.15932	2.3
257.19095	10.7
259.20575	7.4
261.88226	1.5
267.15854	3.2
269.17523	11.3
273.18600	3.4
275.20096	30.1
289.21875	1.6
291.19516	4.2
293.20987	3.4
299.20145	2.1
331.22519	2.0
333.24286	6.0
349.23822	18.9
353.24701	1.8
423.27249	7.7
433.29721	2.1
445.29416	3.2
451.32230	1.9
463.30658	7.9
487.34940	2.0
503.33478	3.8
505.34891	2.4
513.35590	3.6
525.35559	2.5
527.37622	11.6
543.36914	10.2
607.43524	4.1
623.42877	3.0
625.44891	4.1
786.29730	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	2.7
66.00618	1.5
67.05508	41.9
69.03436	4.9
69.07074	18.4
70.06586	2.1
70.34850	3.0
70.35195	2.2
71.05010	3.5
79.05498	53.0
81.03427	12.5
81.07062	85.0
83.04990	14.5
83.08623	18.6
85.02898	5.1
85.06533	4.5
91.05486	33.7
93.07048	41.6
95.04977	20.6
95.08607	19.6
97.02893	2.9
97.06515	8.9
97.10172	31.3
98.21423	1.6
99.04461	1.9
99.08087	2.9
105.07040	28.0
107.04959	16.7
107.08604	25.0
109.06521	12.4
109.10172	14.3
111.04441	18.7
111.08069	8.5
115.05443	3.9
116.06296	1.5
116.07084	1.9
117.07024	18.4
119.08588	31.6
121.06509	13.0
121.10147	17.7
123.08066	27.3
123.11703	2.8
124.24375	1.6
125.05941	1.7
125.09637	23.6
128.06247	2.0
129.07011	9.3
131.08580	15.6
133.06479	5.7
133.10126	12.4
135.08041	10.1
135.11705	13.5
137.09604	7.4
139.11195	2.0
141.07039	2.4
142.07756	2.1
143.08571	9.4
145.06485	4.1
145.10136	21.0
147.08075	12.0
147.11713	8.4
149.08591	1.8
149.09621	8.8
149.13235	1.9
151.11166	1.6
153.09087	2.8
153.12741	7.3
155.08557	3.3
157.06479	1.8
157.10120	9.2
159.08115	3.7
159.11684	7.7
161.09660	13.1
163.11203	23.2
164.06993	1.6
165.09094	4.5
171.10251	2.3
171.11687	7.7
173.09610	4.8
175.11325	7.1
177.12732	3.0
179.51620	1.6
181.12247	7.1
185.09589	2.3
185.13297	4.0
187.11238	2.8
189.11223	18.4
189.12729	2.3
191.10654	6.2
193.12297	4.7
199.11205	2.1
205.12270	2.3
209.11691	2.1
223.13264	5.2
227.12773	24.2
227.17963	3.0
245.19057	5.5
249.14828	2.6
255.17462	6.0
273.18515	57.2
283.15359	4.3
289.17960	2.0
291.19553	100.0
292.19763	2.2
309.20633	10.3
347.22156	20.7
365.23239	60.9
366.23553	1.9
383.24310	37.1
496.76367	1.8
535.32703	3.7
545.36566	1.6
557.34576	3.0
563.37433	2.3
573.34021	2.3
581.38196	2.0
619.39746	3.4
629.99664	1.6
637.41089	15.4
655.42010	29.5
656.42078	2.2
673.43378	22.7
691.44324	10.3
888.46613	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	6.6
67.05509	95.1
69.03438	14.2
69.07069	45.7
70.06586	21.4
71.04990	10.4
71.24877	4.1
73.02907	2.7
79.05498	82.1
81.03438	16.1
81.06588	5.2
81.07061	100.0
82.06570	11.1
83.04989	20.3
83.08620	34.2
84.08131	4.0
85.02910	7.6
85.06522	5.6
91.05490	66.5
92.06300	2.3
93.07049	70.8
94.04202	2.2
95.04969	46.6
95.08612	46.9
97.02893	11.0
97.06523	21.2
97.10181	19.7
99.04439	5.2
99.08105	5.2
103.05488	3.9
105.07037	58.5
107.04953	18.6
107.08603	55.0
109.02870	3.7
109.06515	21.1
109.10164	39.1
111.04446	9.1
111.08081	11.3
113.06036	2.5
116.07098	21.4
117.07013	34.1
119.08585	43.5
121.06524	18.4
121.10153	29.9
123.04446	3.6
123.08095	12.6
123.11732	6.7
125.09655	19.6
127.03927	4.6
128.06172	4.2
129.05502	7.1
129.07004	12.7
130.08659	3.4
131.08583	35.4
133.06502	4.0
133.10144	33.7
134.10519	3.0
135.08052	16.9
135.11693	17.9
137.09607	13.3
139.11223	2.8
141.06960	2.4
143.08598	12.8
145.06511	8.0
145.10141	31.5
147.08041	8.3
147.11703	22.2
149.09637	27.2
149.13295	8.3
151.11206	3.7
153.09097	7.1
155.07332	2.3
155.08589	9.6
155.10713	3.2
157.08685	3.4
157.10136	10.0
158.11792	10.9
159.08102	5.8
159.11716	19.9
161.09630	9.2
161.13306	5.9
163.11179	23.0
165.09189	4.3
165.12848	2.7
169.10147	7.4
171.10309	3.9
171.11700	14.7
173.09654	3.3
173.11772	7.1
173.13283	8.8
175.11188	6.1
177.12785	6.7
179.14256	3.1
183.11705	8.0
185.13312	5.4
187.11203	3.5
187.14844	3.0
189.11263	11.8
189.12735	2.9
193.12239	10.6
197.13206	6.2
199.14876	2.7
205.12306	4.3
223.13252	18.3
227.12726	10.4
229.14359	20.6
229.19444	3.6
233.15327	3.4
239.17975	3.6
247.20630	4.7
255.15761	4.9
257.19012	13.6
269.17593	10.2
273.18427	7.7
275.17487	2.1
275.20084	56.5
289.18063	7.4
291.19604	13.5
293.21259	16.9
323.96024	2.7
331.22684	2.8
339.23322	3.5
347.22156	5.7
349.23779	34.8
363.21631	3.3
365.23175	10.2
367.24805	17.5
381.22702	4.7
399.23724	21.6
423.27170	6.6
445.29218	2.8
449.29034	7.2
463.30417	4.4
503.33643	12.3
521.34680	9.5
525.35718	6.6
529.35522	3.1
543.36810	27.8
561.37604	8.7
621.41229	3.0
623.42950	7.4
639.42499	6.3
641.43524	4.2
655.42773	3.1
657.43427	7.3
673.43335	6.6
687.40247	3.1
691.44019	14.7
888.52063	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	882.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
63.51738	0.6
65.03935	0.8
67.05509	25.4
69.03397	2.3
69.07070	14.5
71.04971	2.3
71.08636	17.4
71.51711	0.7
73.02890	3.0
73.03250	0.6
79.05495	10.9
81.03404	1.8
81.07062	66.6
82.45340	0.7
83.04986	5.5
83.08167	0.7
83.08620	11.4
85.02914	11.3
85.06545	3.8
85.09746	0.8
85.10187	11.2
87.04453	1.5
89.06023	1.1
91.03966	5.7
91.05482	16.7
93.07037	8.2
95.04942	1.9
95.08615	28.6
95.80624	0.6
96.04494	0.9
97.02896	6.4
97.06526	5.1
97.10178	4.3
97.10670	0.8
99.08096	4.6
99.11743	0.8
101.06033	1.0
103.07533	1.1
104.67093	0.8
105.07040	24.7
107.08599	10.0
109.02839	0.7
109.06519	3.9
109.10164	8.4
111.11715	0.9
113.05984	1.3
119.08586	21.8
121.09335	1.0
121.10149	15.1
123.08116	4.1
123.10850	1.3
123.11721	25.2
123.15459	0.6
124.12009	0.9
127.03854	2.4
127.07526	2.0
129.07007	1.2
133.10075	1.9
137.13220	3.1
141.09126	0.9
145.04926	2.6
145.10063	1.0
145.12157	0.7
147.11696	52.3
149.13213	0.7
157.10139	1.1
163.05995	2.6
165.11426	1.1
165.12766	19.6
175.11186	2.4
183.13835	2.2
193.12271	1.6
211.13129	0.8
215.34904	0.7
229.14348	3.3
239.23674	2.9
243.57372	0.8
257.24786	2.4
267.15930	86.3
268.16299	1.6
285.16977	94.5
286.17444	1.7
313.27380	87.7
314.27713	2.8
315.47424	0.8
331.28455	2.2
337.44757	0.8
383.99295	0.8
453.35956	0.8
459.21567	0.8
505.09821	0.7
505.90433	0.7
523.39990	100.0
524.39935	3.6
547.26733	1.0
606.28235	1.1
644.20300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	5.2
65.03971	1.4
67.05506	10.8
68.05828	1.5
69.03428	2.7
69.07072	6.3
70.06597	7.8
71.04989	0.8
72.08160	3.0
73.02927	3.8
79.05498	7.3
81.03432	2.6
81.07058	9.7
82.07391	1.0
83.08649	1.9
84.08157	2.9
85.02930	5.3
85.04036	0.9
86.09689	4.2
91.03970	2.9
91.05483	7.7
93.07043	7.8
95.04964	1.5
95.08605	5.5
97.02904	5.5
97.10184	1.5
101.02383	1.7
105.07047	4.5
107.08616	4.2
109.02914	1.2
109.07687	0.9
109.10144	3.9
114.34681	0.8
117.07053	2.1
119.04948	1.0
119.08620	3.5
120.08125	2.9
121.06559	1.6
121.10152	2.8
125.09660	1.6
131.08589	2.5
133.10144	2.2
135.11720	2.0
136.06163	1.5
136.07603	3.0
137.05981	1.3
139.03912	1.9
145.10149	1.2
146.06062	1.3
147.11722	1.6
149.06003	1.0
153.94972	0.8
159.11749	1.4
163.03964	1.1
164.07072	1.1
177.07953	2.3
177.12732	1.0
184.07388	3.1
203.05240	0.8
203.25305	0.7
213.08830	1.2
216.13071	0.8
243.08493	2.3
251.10454	2.5
251.54971	1.0
274.18091	1.4
291.19730	1.5
300.54892	0.8
302.17511	1.0
320.18710	1.0
333.20517	2.0
335.26349	1.1
351.21481	2.5
361.76334	1.0
365.23355	1.4
439.19617	1.2
520.33722	2.5
551.27942	5.0
569.29230	6.4
646.08429	1.0
655.43921	4.7
699.46661	3.4
817.48883	7.3
861.51685	5.7
879.50800	100.0
880.51282	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	878.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	10.7
65.03928	1.6
67.05508	31.3
69.03439	6.1
69.07068	8.3
69.85829	3.7
70.06602	2.2
71.01359	1.3
71.05002	1.6
73.02921	6.7
79.05499	19.4
81.03423	3.6
81.07061	28.9
81.07531	1.6
83.04989	1.5
83.08624	3.5
85.02905	9.7
86.09713	1.7
87.04480	0.9
91.03954	5.8
91.05489	12.5
93.07052	20.7
95.04987	2.2
95.08616	23.5
97.02888	8.5
97.06551	1.8
97.10188	2.1
101.02396	1.7
101.32765	0.7
103.05497	1.0
105.07027	6.5
107.04972	0.9
107.08601	11.2
109.02914	1.3
109.06520	1.1
109.10161	8.1
111.08057	1.2
115.05470	1.7
117.07030	3.5
119.04964	2.4
119.08572	3.4
121.10165	7.3
123.04435	1.9
123.08103	1.7
123.11740	1.4
124.95200	0.7
127.03922	1.7
129.07008	2.2
131.04961	2.9
131.08594	2.8
133.06398	0.8
133.10162	3.2
135.11694	4.0
136.06288	0.9
136.07567	0.8
137.05989	7.4
141.07146	1.1
143.04955	1.4
144.08145	0.8
145.06531	2.7
145.10138	2.0
146.06032	1.1
147.04446	0.8
147.11786	2.1
148.05202	1.1
149.05971	5.4
149.09636	0.9
149.13278	1.3
157.06525	1.2
159.11749	1.7
160.05305	0.8
160.07675	1.4
161.05992	4.8
161.13324	1.4
162.05518	5.3
162.06711	1.1
163.06317	0.9
163.07568	1.7
164.07069	28.1
172.07632	0.9
173.05995	6.4
173.13329	1.2
174.09154	0.9
175.06325	1.7
175.07608	3.3
176.07106	4.7
177.07858	42.9
178.08630	4.1
183.08122	0.8
187.07581	2.1
188.07037	1.3
189.09247	1.2
190.08646	11.4
191.09427	5.3
202.08635	1.9
203.09415	1.6
256.17169	1.0
257.15469	1.2
274.18021	39.7
275.18286	1.1
284.16568	1.2
300.16254	1.4
302.17499	57.7
303.18185	1.1
320.18567	35.4
335.25793	16.2
335.29813	0.8
336.26410	0.9
346.20355	2.5
358.20346	1.3
376.21228	12.5
389.13727	0.7
393.21671	2.0
394.22272	22.5
420.24188	1.1
464.23029	1.5
497.31064	0.9
517.50140	0.8
582.28174	0.9
654.43665	79.7
655.44165	5.0
698.46259	40.3
699.46271	2.2
716.47235	1.9
816.48914	100.0
817.49133	5.5
842.50690	1.9
860.51526	90.3
861.51904	6.0
878.51398	6.8
879.50867	1.9
913.88739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	11.5
64.37715	0.7
65.03925	1.5
67.03152	0.7
67.05508	35.5
69.03436	7.3
69.07072	9.0
69.80465	0.7
70.02042	2.1
70.02455	1.5
70.06585	3.3
71.01337	1.0
71.04974	1.9
73.02923	7.9
75.31933	0.8
79.05496	20.2
81.03413	3.7
81.06590	1.7
81.07059	33.3
83.04974	1.9
83.08624	4.0
85.02904	10.0
85.06511	1.0
86.09698	3.1
91.03963	6.4
91.05478	12.6
93.06483	1.5
93.07043	22.7
95.04963	2.9
95.08607	26.4
97.02905	9.3
97.06539	2.0
97.10172	1.1
99.04438	1.4
101.02374	3.4
103.05465	0.9
105.07035	6.6
105.07650	1.1
107.08606	10.3
108.08894	0.8
109.02884	1.1
109.06516	0.8
109.10149	9.3
111.08074	1.1
115.05430	1.1
117.07022	3.3
119.04900	1.0
119.08585	4.5
120.08105	1.8
121.06521	1.6
121.10140	8.7
123.08056	1.3
123.11701	2.8
127.03884	2.1
129.07022	0.9
130.06465	1.1
131.04936	2.1
131.08580	4.7
133.06488	0.7
133.10156	4.1
135.11708	5.2
136.06154	1.4
137.05998	5.2
137.13264	0.9
143.04836	1.4
145.06448	1.6
145.10133	3.1
146.06071	1.4
147.04399	1.5
147.11694	2.9
149.05965	3.8
149.09616	1.1
149.13286	1.9
157.06520	1.1
159.11659	1.5
160.05142	1.2
161.05984	4.7
161.13216	1.2
162.05470	5.9
164.05693	1.2
164.07080	25.4
164.53029	0.7
173.06010	7.1
173.13167	1.7
175.06256	2.2
175.07564	3.0
176.07069	4.8
177.07852	38.9
178.08679	4.6
180.13893	0.8
184.07330	1.3
187.07520	2.2
188.07027	1.0
189.07774	0.9
190.08627	11.9
191.09427	4.9
199.07567	1.5
201.09210	0.8
202.08640	2.0
203.09413	1.5
213.11615	0.7
228.17476	1.1
256.17108	1.2
261.22198	0.9
274.18024	37.9
284.16498	2.0
302.17508	50.6
303.17853	1.8
314.17111	0.8
320.18564	30.4
335.25812	24.4
346.20218	2.8
358.20108	1.2
376.21246	9.8
393.21558	1.8
394.22235	30.5
395.21988	0.9
408.86841	0.9
417.84406	1.0
464.22467	1.4
497.31375	1.5
654.43671	76.7
655.44110	4.3
698.46277	35.5
699.46313	1.6
816.48914	98.8
817.49207	5.9
842.50574	2.1
860.51544	100.0
861.51447	6.3
878.51813	6.7
879.51373	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	877.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.7
67.05504	4.9
69.03437	2.6
69.07097	1.6
70.06602	0.8
71.05004	0.7
71.51793	0.9
73.02927	3.5
79.05473	2.8
81.03437	1.7
81.07044	6.0
83.08627	1.5
85.02895	4.7
91.03967	2.7
91.05495	2.8
93.07053	3.7
95.04977	1.4
95.08633	2.2
97.02906	4.3
97.10186	0.7
99.04440	1.1
101.02386	1.5
105.07052	2.1
107.04987	0.9
107.08623	2.0
109.02853	1.4
109.10189	1.4
117.07060	1.1
119.08635	1.4
121.06486	1.2
123.04483	0.6
127.03923	2.0
129.06943	0.8
131.08592	1.2
133.10115	1.5
135.11708	2.4
136.06195	0.7
145.04984	0.7
149.02411	1.0
149.09767	0.7
159.11751	0.7
164.63777	0.6
185.04297	2.0
193.05008	0.8
203.05290	0.9
243.08379	4.2
259.07962	0.7
263.12683	0.9
301.08960	6.1
315.10638	1.4
333.20496	3.3
341.12317	0.7
357.15323	1.1
373.11234	2.4
385.18326	3.0
413.17862	1.1
429.17245	1.4
431.24356	0.8
439.19336	5.1
450.47995	0.7
453.20990	1.4
477.24908	0.8
481.20380	4.4
499.21451	0.8
515.34070	0.9
541.22455	7.5
551.28339	11.7
561.33728	0.8
567.26886	0.9
593.29437	0.8
623.30505	3.3
624.32245	0.7
625.31854	2.6
637.32251	1.3
693.37927	1.4
711.38263	0.8
719.40369	0.9
723.39496	2.7
749.40863	18.9
750.41156	0.8
767.77954	0.8
791.41925	25.5
791.56299	1.3
792.42078	2.0
859.47925	4.9
877.48621	100.0
878.48834	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	877.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	5.4
62.31060	0.8
65.82137	0.9
67.05506	5.8
69.03440	4.3
69.07073	3.4
70.06596	1.9
73.02924	4.3
79.05491	5.7
81.03434	3.1
81.07068	5.1
83.04993	0.9
83.08611	1.0
85.02915	6.8
88.40871	0.9
91.03951	4.3
91.05495	4.8
93.07046	6.5
95.04954	1.2
95.08618	3.0
97.02905	4.8
97.10199	1.3
99.04473	1.3
101.02357	1.6
105.07040	3.5
107.08613	2.8
109.06525	1.0
109.10175	2.4
117.07048	1.6
119.08602	2.4
121.06564	1.1
121.10159	1.6
127.03937	1.8
129.05499	1.0
131.08606	1.2
133.10208	2.2
135.11693	2.0
136.06215	2.4
139.03986	0.9
145.10120	1.4
147.11749	1.4
149.02365	2.1
162.07849	1.5
184.07413	1.5
185.04288	2.4
193.04982	1.4
203.05396	1.0
237.16434	0.9
237.46796	0.8
240.23634	0.8
241.06718	1.0
243.08551	3.3
263.12595	1.2
284.29437	1.5
301.09036	7.6
315.10620	1.3
333.20499	4.6
369.15237	1.1
373.11176	2.9
373.23642	1.0
385.18350	3.8
389.22931	1.1
413.17969	1.2
429.17438	2.6
431.24216	1.4
439.19470	5.1
469.20615	1.5
477.24905	2.1
481.20505	4.6
515.33789	1.4
541.22754	6.9
551.28284	11.9
553.30249	1.5
567.27686	1.1
583.31036	1.9
623.30579	4.9
625.32153	2.2
651.33563	1.7
653.48688	0.9
665.34882	1.2
693.38202	1.5
697.44891	1.7
711.39166	1.2
723.39441	2.8
749.41083	13.6
750.40894	1.3
791.41931	30.3
792.42017	1.7
859.49146	4.9
877.49768	100.0
878.49994	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	877.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	2.9
67.05511	5.1
69.03431	2.4
69.07076	2.3
70.06599	0.9
71.00966	1.2
71.04999	0.7
72.08153	0.5
73.02911	2.6
79.05491	4.6
81.03423	1.5
81.07060	7.0
83.04984	0.6
83.08612	1.1
85.02920	3.2
86.09719	0.8
91.03967	1.8
91.05490	3.7
93.07047	3.7
95.04980	1.4
95.08614	2.3
95.61374	0.4
97.02888	3.1
97.06527	1.0
97.10178	0.5
101.02408	1.1
103.05490	0.6
105.07015	2.6
107.08612	1.5
109.02889	0.9
109.06541	1.1
109.10158	1.0
111.08103	0.5
117.07015	0.9
119.08621	2.1
121.06501	4.6
121.10172	1.6
123.08060	0.7
125.09635	0.6
127.03931	1.0
129.07007	0.7
131.08606	1.1
133.10139	1.8
133.11176	0.5
135.11702	0.7
137.05913	0.5
139.03894	0.5
145.04964	0.6
145.10104	0.9
147.08112	0.6
147.11723	1.7
149.09674	0.7
159.11635	0.5
164.07178	0.9
177.07977	0.5
184.07379	1.1
185.04248	0.8
243.08502	3.0
275.20322	0.6
301.09113	0.7
302.17575	0.8
313.25256	0.5
315.10559	0.6
320.18558	0.8
333.20435	2.3
335.25946	0.7
349.20026	1.9
373.10999	0.5
389.23038	0.8
394.22174	0.6
405.22592	0.6
423.19830	0.8
469.20499	0.5
551.28424	6.7
567.27820	3.6
654.43781	1.5
698.46515	1.3
715.46136	1.2
732.29034	0.6
761.41278	0.6
772.05811	0.5
783.82813	0.5
816.49310	1.9
860.51550	2.3
877.49182	100.0
878.49609	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	876.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	6.5
65.03943	1.2
67.05506	17.5
69.03419	4.5
69.07072	5.8
70.06584	1.3
71.05021	2.0
71.51952	1.0
73.02930	2.0
78.30659	0.9
79.05072	1.5
79.05505	23.0
81.03426	17.3
81.07069	18.1
81.61462	0.9
83.04971	3.3
83.08629	5.7
85.02902	4.6
89.64651	1.0
91.03969	2.1
91.05492	29.0
93.07052	18.7
95.04978	8.0
95.08614	11.2
97.02906	6.7
97.06554	1.7
103.05460	1.4
105.04556	1.4
105.07040	22.0
107.04934	2.2
107.08604	11.6
109.06550	2.3
109.10171	4.2
111.08092	2.5
115.05428	1.4
117.06998	4.8
119.04975	2.8
119.08586	13.0
121.06512	5.7
121.10150	8.6
123.04442	3.9
123.08057	1.3
127.03963	1.2
128.06232	1.7
129.07016	7.2
131.04977	2.3
131.08577	9.9
133.06529	1.9
133.10130	10.8
135.04431	3.9
135.08064	1.4
135.11691	2.7
136.06194	41.7
137.04494	1.1
137.04958	1.5
137.05975	17.0
143.08553	2.3
145.06506	2.5
145.10139	3.9
147.04410	3.7
147.08040	1.9
147.11702	6.9
149.05959	3.4
149.09625	4.7
149.13208	1.3
155.08504	1.4
157.06488	2.3
157.10175	4.8
159.11742	2.5
161.06009	8.9
161.09607	1.1
161.13344	2.5
163.07541	2.8
164.07076	3.1
169.09947	1.1
171.11664	1.6
173.05994	4.1
175.07600	5.3
175.11258	2.3
175.14885	1.2
177.07886	2.0
178.08636	4.4
182.14334	1.0
183.08139	1.4
184.07391	2.0
185.09633	1.7
185.13284	1.1
187.07545	4.7
189.09163	2.8
193.12216	6.2
195.08128	1.5
199.07631	2.3
201.09119	2.6
211.13281	2.7
213.09149	1.9
257.15356	2.4
259.20572	2.3
285.14902	3.5
302.17471	5.1
303.15863	1.9
328.19089	1.4
329.17520	3.1
333.24377	5.3
344.18707	2.3
346.20139	4.7
402.22446	1.1
420.23849	5.3
438.24820	1.4
495.29526	1.9
543.36450	1.1
579.97009	1.1
586.30249	1.4
652.41803	1.5
678.42725	4.8
679.42224	2.2
696.44690	100.0
697.44702	6.1
714.44653	4.7
738.43774	1.4
804.46771	1.9
814.47443	1.9
822.46796	4.0
840.49127	5.4
858.49915	64.1
859.50702	6.2
876.50653	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	876.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	15.0
62.59142	1.4
65.03927	2.0
67.05181	2.3
67.05511	26.0
69.03442	11.9
69.07072	10.0
69.45962	9.5
70.06578	1.2
71.01357	1.2
71.04981	1.6
72.08138	3.5
73.02915	10.5
77.03889	1.2
78.22567	1.2
79.05070	2.0
79.05497	28.0
80.24274	1.3
81.03409	5.6
81.07057	24.5
83.04976	4.1
83.08604	6.1
84.96045	1.6
85.02916	14.7
85.06547	2.0
91.03963	6.5
91.05486	38.8
93.07048	29.7
93.07632	1.6
95.04974	4.4
95.08602	18.4
96.04502	1.8
97.02886	13.4
97.06517	1.4
97.10152	2.4
98.97614	1.6
99.04504	2.0
101.02391	1.8
103.05463	2.8
104.46904	1.4
105.04530	1.3
105.07031	25.1
107.08588	15.0
109.06522	2.6
109.10168	6.2
115.03956	1.3
115.05448	2.3
117.07025	9.1
119.04951	1.7
119.08582	17.5
121.06528	7.1
121.10149	10.5
123.04426	3.7
123.11739	1.9
123.23112	1.3
127.03938	2.3
129.06960	4.3
131.04951	3.7
131.08562	7.5
132.08122	1.8
133.06487	1.5
133.10127	11.9
135.08063	1.5
135.11690	4.7
136.06181	14.8
137.05986	10.0
138.05473	2.9
139.03899	1.7
143.08585	3.2
145.06506	2.4
145.10110	4.6
147.04408	4.2
147.11696	5.7
148.05215	2.5
149.05942	7.9
149.13179	1.6
157.06485	2.2
157.10101	2.5
159.11658	2.4
160.07564	2.5
161.05981	6.8
161.13287	3.1
162.05470	11.0
163.06313	2.4
164.05702	2.1
164.07069	35.1
166.08650	1.7
171.11699	1.7
172.07568	2.1
173.05981	14.9
173.13243	2.9
175.06258	5.3
175.07562	6.1
176.07076	10.1
177.07848	37.7
177.09344	2.0
178.08626	5.0
187.07555	2.9
188.07097	4.9
190.08620	17.1
191.09404	6.2
199.07510	2.5
199.14781	1.3
201.07518	1.5
202.08673	3.6
204.10217	4.7
213.09192	2.0
216.10181	2.2
234.91881	1.7
241.07451	2.3
246.91986	1.3
257.15488	1.5
259.08646	1.8
259.20602	2.8
263.82358	1.3
272.16464	2.4
274.18033	37.8
278.87146	1.2
300.16052	8.3
300.19095	1.9
302.17499	46.2
303.17908	1.5
306.00891	1.4
318.17056	1.6
320.18579	32.5
328.18979	4.8
330.19629	1.9
333.24365	9.1
344.18735	1.7
346.05389	1.4
346.20276	6.1
358.20245	2.4
376.21149	10.9
392.20663	3.3
394.22281	20.6
420.23648	3.4
518.66675	1.3
538.19958	2.0
652.42096	76.7
653.42188	4.0
670.43274	2.5
678.43677	12.9
696.44672	47.0
697.44427	2.9
714.45728	7.8
814.47345	80.0
815.47308	6.0
832.48370	2.3
840.48834	22.2
841.48560	1.8
858.49988	100.0
859.50208	6.8
876.51080	40.7
877.50659	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	875.4762
Annotation	Pectenotoxin 1
Peak:m/z	Relative Intensity
61.02940	4.7
67.05518	7.9
69.03434	4.4
69.07066	4.5
70.06596	1.5
71.04974	1.1
71.51151	1.5
73.02903	4.4
79.05492	6.3
81.03449	4.4
81.07063	8.5
83.04997	1.8
83.08631	2.6
85.02908	7.0
86.09705	2.7
89.06013	1.0
91.03980	4.1
91.05468	7.0
93.07050	5.5
95.04986	1.8
95.08614	4.3
97.02907	5.2
97.06521	1.3
97.10196	1.1
99.04478	2.0
101.02409	2.3
105.07032	4.7
107.04980	3.7
107.08621	3.5
109.02935	1.2
109.06530	1.0
109.10179	1.9
117.07052	2.9
119.08614	3.2
121.06540	1.4
121.10156	1.3
127.03947	1.8
129.07011	1.2
131.08588	1.6
133.10175	2.2
133.42314	0.9
143.08658	1.2
145.10162	2.0
147.11722	1.8
152.79501	0.8
157.10260	1.2
161.13391	1.1
163.11232	1.4
181.12257	1.0
184.07288	4.2
185.04266	1.5
203.05339	1.1
208.26802	0.8
216.68077	0.8
243.08403	5.3
261.14978	1.2
297.86478	0.8
301.09137	2.2
301.14413	1.9
315.10577	0.9
333.20438	3.7
371.16870	1.2
373.11166	0.9
389.22986	1.2
439.19522	2.2
453.21124	1.6
469.20840	1.0
519.22205	11.6
541.22968	1.8
551.28363	16.5
565.25525	1.1
623.30670	1.1
660.68451	1.0
694.40289	1.0
713.44897	1.0
733.41852	1.1
747.39789	1.8
788.46539	1.2
789.41034	1.2
801.43909	2.7
829.43488	56.2
830.43500	4.3
857.46722	3.7
858.47485	2.0
875.47522	100.0
876.47559	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	875.4762
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	4.7
67.05518	7.9
69.03434	4.4
69.07066	4.5
70.06596	1.5
71.04974	1.1
71.51151	1.5
73.02903	4.4
79.05492	6.3
81.03449	4.4
81.07063	8.5
83.04997	1.8
83.08631	2.6
85.02908	7.0
86.09705	2.7
89.06013	1.0
91.03980	4.1
91.05468	7.0
93.07050	5.5
95.04986	1.8
95.08614	4.3
97.02907	5.2
97.06521	1.3
97.10196	1.1
99.04478	2.0
101.02409	2.3
105.07032	4.7
107.04980	3.7
107.08621	3.5
109.02935	1.2
109.06530	1.0
109.10179	1.9
117.07052	2.9
119.08614	3.2
121.06540	1.4
121.10156	1.3
127.03947	1.8
129.07011	1.2
131.08588	1.6
133.10175	2.2
133.42314	0.9
143.08658	1.2
145.10162	2.0
147.11722	1.8
152.79501	0.8
157.10260	1.2
161.13391	1.1
163.11232	1.4
181.12257	1.0
184.07288	4.2
185.04266	1.5
203.05339	1.1
208.26802	0.8
216.68077	0.8
243.08403	5.3
261.14978	1.2
297.86478	0.8
301.09137	2.2
301.14413	1.9
315.10577	0.9
333.20438	3.7
371.16870	1.2
373.11166	0.9
389.22986	1.2
439.19522	2.2
453.21124	1.6
469.20840	1.0
519.22205	11.6
541.22968	1.8
551.28363	16.5
565.25525	1.1
623.30670	1.1
660.68451	1.0
694.40289	1.0
713.44897	1.0
733.41852	1.1
747.39789	1.8
788.46539	1.2
789.41034	1.2
801.43909	2.7
829.43488	56.2
830.43500	4.3
857.46722	3.7
858.47485	2.0
875.47522	100.0
876.47559	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	874.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	5.0
65.03936	4.8
67.05511	100.0
69.03419	10.1
69.07076	38.6
70.06599	4.4
71.05006	4.5
71.55688	2.6
73.70612	2.9
78.43091	2.8
79.05066	4.9
79.05498	67.5
81.03403	13.7
81.06590	4.8
81.07064	95.1
83.04978	13.4
83.08630	19.7
85.02929	6.9
85.06542	5.7
86.09720	9.1
91.05490	61.8
92.04198	2.9
93.07049	71.4
95.04951	9.3
95.08072	3.3
95.08621	44.9
97.02924	4.3
97.06545	21.5
97.10165	15.9
99.08077	4.1
99.50523	2.9
105.07043	43.9
107.04981	14.4
107.08604	49.0
109.06506	6.1
109.10164	38.9
111.08075	7.5
116.07022	3.5
117.07051	16.6
119.08595	31.1
121.06535	8.3
121.10119	18.7
123.08078	7.2
123.11663	3.5
124.99992	4.1
125.09601	10.9
129.07021	6.7
131.07880	2.6
131.08589	26.3
133.06477	2.8
133.10127	29.3
135.08052	8.5
135.11696	15.0
135.48573	2.5
136.06204	7.4
137.09605	3.8
141.06937	3.5
143.08585	8.2
145.10167	23.7
147.11703	18.0
149.09644	15.3
149.13249	12.7
151.11217	3.9
155.08589	4.8
157.10123	6.0
159.11705	16.4
161.13228	5.4
162.97806	2.5
163.11176	7.8
165.12697	3.4
169.10136	3.7
173.11794	6.6
173.13130	7.2
175.14828	4.2
177.12820	5.0
179.14325	3.2
183.11700	4.0
184.07295	16.5
187.11194	2.8
189.11218	8.2
195.13853	6.4
217.01872	3.0
227.12801	12.1
229.14326	22.6
233.15263	2.7
239.17896	5.2
251.16396	2.6
255.15976	4.8
257.19092	8.4
269.17450	31.4
275.17316	5.1
275.20102	54.1
293.21085	5.8
310.03809	2.7
349.23816	44.4
367.24777	9.9
409.25772	5.9
423.27335	18.9
425.64603	2.9
449.28766	11.4
463.30612	35.2
503.33411	16.2
525.35638	5.8
529.35571	4.1
543.29053	5.2
543.36798	43.7
544.37305	3.1
561.37695	12.5
623.42749	12.9
641.43781	11.4
662.40588	3.4
874.49164	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	874.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	2.5
65.03925	6.7
67.05511	100.0
69.03439	8.8
69.06734	2.9
69.07075	36.4
70.06569	3.5
70.20194	3.9
70.20584	2.6
71.04979	6.6
71.08636	2.6
72.25370	1.5
79.05498	76.6
80.05830	1.7
81.03439	11.8
81.03840	2.6
81.07063	97.5
82.07407	1.7
83.04980	12.1
83.06191	1.4
83.08621	21.1
85.02906	7.6
85.06519	4.6
86.09686	3.3
91.03947	2.9
91.05489	67.3
93.07052	69.4
94.07375	2.0
95.04976	11.1
95.08612	45.4
97.02882	4.4
97.06550	16.1
97.10172	10.7
99.08093	3.9
103.05479	3.0
105.04523	2.4
105.07040	65.1
107.04935	9.9
107.07880	2.7
107.08602	47.2
108.55186	1.5
109.02844	3.7
109.06522	7.2
109.10159	35.2
111.08077	7.5
115.05466	3.1
117.07025	24.0
119.04970	1.4
119.08588	45.6
121.06522	7.7
121.10146	25.8
123.08067	5.5
123.11707	7.0
125.00032	2.6
125.09621	8.5
128.06230	1.7
129.07010	13.9
130.07790	1.7
131.08580	35.8
133.06473	2.6
133.10132	34.5
134.10460	1.6
135.08054	7.3
135.11728	14.1
137.09593	5.0
141.06999	4.4
142.07761	2.7
143.08571	12.2
145.06494	2.5
145.10138	26.0
147.08008	2.4
147.11703	22.2
149.09616	12.4
149.13264	15.9
151.11160	5.0
155.08571	7.9
157.10130	12.2
159.11717	23.6
161.09642	3.9
161.13292	10.7
163.11183	7.7
165.12793	4.1
167.08571	3.3
169.10155	8.2
171.11726	8.9
173.11723	6.4
173.13280	8.6
175.11156	3.8
175.14873	3.5
177.12737	7.0
179.14256	2.3
181.10136	3.3
183.11716	8.1
184.07399	7.9
185.13208	7.5
187.11198	2.0
187.14735	3.7
189.11205	3.9
189.12794	1.8
191.14317	1.9
195.11806	3.7
195.13823	6.8
197.13274	3.9
199.14857	3.3
209.13281	3.0
211.14886	3.0
213.16441	2.1
215.17958	1.7
225.16528	1.9
227.12791	10.9
229.09708	1.6
229.14316	14.8
229.19464	2.4
239.17863	3.4
241.19466	5.0
247.20479	2.7
253.14409	2.3
257.19061	11.1
259.20572	21.5
267.16092	1.9
269.17490	30.0
273.18643	2.0
275.20087	38.4
283.20575	1.7
291.19702	3.9
293.21222	4.7
329.21298	1.7
333.24338	17.1
349.23782	17.0
350.24124	2.5
350.63046	1.8
367.24734	8.1
423.27448	8.1
449.28790	1.9
463.30594	9.9
471.34567	1.9
487.34506	3.3
503.33478	2.4
505.35001	3.1
513.35779	2.0
525.36334	3.4
527.37323	15.7
543.36859	9.5
545.38928	2.6
551.40857	2.1
560.27386	1.7
561.37390	5.4
596.63635	1.8
607.43237	4.4
623.42957	2.2
625.44427	6.9
630.50299	1.9
641.43420	2.7
874.48157	2.5
875.46747	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	872.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	6.0
64.83659	1.5
65.03946	7.9
67.05509	100.0
69.03443	15.0
69.07072	68.3
69.80009	8.3
71.04996	6.5
73.02917	3.3
77.03946	2.4
79.05499	79.9
81.03417	15.1
81.07063	86.4
83.04999	14.1
83.08626	16.6
85.02916	12.0
85.06554	5.3
91.03947	3.3
91.05485	94.3
92.05831	1.7
93.07050	69.9
95.04978	17.5
95.08611	52.5
95.09244	1.6
96.08957	2.9
97.02888	8.7
97.06532	17.2
97.10167	10.4
98.21062	4.9
99.04452	2.9
99.08144	3.1
103.05473	3.0
105.04502	3.3
105.07038	70.2
107.04980	10.4
107.08593	38.5
109.02888	2.1
109.06502	8.4
109.10165	30.0
111.08092	6.8
113.05970	2.5
113.09676	3.0
114.68715	1.8
115.05492	4.4
117.07022	26.5
119.08587	49.6
119.70834	1.6
121.06525	6.9
121.10147	22.7
121.10951	2.5
123.08051	7.9
123.11729	5.3
125.09618	10.5
127.03930	4.2
128.06244	5.1
129.05481	4.2
129.07014	18.0
130.07834	2.5
131.08574	38.0
133.06535	3.4
133.10138	35.9
135.08043	8.0
135.11696	15.3
137.09621	10.8
139.11143	2.6
141.07018	6.2
143.08588	16.5
145.04964	1.9
145.06500	1.7
145.10133	33.3
147.08078	2.3
147.11687	19.3
149.09634	20.4
149.13249	11.0
151.11203	5.6
153.07190	2.1
153.09200	1.7
155.08569	9.6
156.07422	1.7
156.09282	2.3
157.10152	17.5
159.08073	2.6
159.11699	22.3
161.09665	3.8
161.13258	9.0
163.11195	10.5
169.10162	7.7
171.11676	13.5
173.09837	1.7
173.11865	2.5
173.13280	10.7
175.11200	3.1
175.14839	2.4
177.12788	4.6
179.14342	5.0
181.10120	3.4
183.11707	10.0
185.13237	8.0
187.11197	3.0
187.14867	3.2
189.11261	3.6
189.12816	3.2
191.14371	1.9
193.10150	2.5
195.11717	5.8
195.13690	3.3
197.13329	5.4
199.14844	4.8
201.16409	2.3
209.13284	3.4
211.14784	3.6
213.16478	3.1
223.15039	2.2
225.12880	1.8
227.12842	4.1
229.14397	5.7
229.19591	2.1
239.18095	3.6
241.19525	3.8
245.19078	2.4
247.20615	2.3
257.19083	5.5
259.20572	12.0
269.17502	8.0
270.18036	1.8
273.18539	5.0
275.20102	26.5
291.19650	8.5
293.21091	3.0
301.21667	2.2
315.23145	2.8
333.24368	8.4
349.23804	17.6
364.40295	1.5
365.23172	2.0
383.24411	2.2
421.30853	2.6
495.34872	2.3
513.35760	20.3
514.35980	1.9
527.37323	2.3
534.78125	1.6
543.36194	4.2
607.43634	8.7
625.44409	6.2
641.43689	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	872.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	5.4
67.05508	67.7
69.03434	7.5
69.07072	34.8
70.06602	7.1
70.82272	1.5
70.94947	3.5
71.04409	1.6
71.05017	6.9
77.01598	1.4
79.05499	68.3
80.05857	1.6
81.03420	17.0
81.07062	100.0
83.04987	26.1
83.08623	48.9
84.08143	1.9
85.02901	7.3
85.06538	4.6
86.09698	4.0
91.04903	2.2
91.05486	62.3
93.07050	65.1
95.04975	72.9
95.08614	39.1
95.09134	1.0
96.04442	1.6
97.02905	2.2
97.06525	20.5
97.10171	30.9
99.04453	7.3
99.08083	5.9
103.05502	1.9
105.04520	3.1
105.07037	51.7
107.04967	23.4
107.08607	43.7
108.08920	1.5
109.06514	14.8
109.10159	24.3
111.04447	20.1
111.08085	12.8
113.06008	2.1
115.05473	3.3
116.07112	2.6
117.07025	25.6
119.04922	2.1
119.08592	39.4
121.06522	18.8
121.10155	31.9
123.04442	1.9
123.08083	28.7
123.11699	4.1
125.05990	2.7
125.09641	27.0
127.07591	1.9
128.06233	2.8
129.07013	11.8
130.07771	2.5
131.08577	29.9
132.84833	1.5
133.06485	5.8
133.10149	31.3
135.08078	14.8
135.11700	17.4
137.09633	8.4
139.11188	3.7
141.06978	2.6
142.07794	3.3
143.08536	8.7
145.06476	6.1
145.10127	35.9
145.81198	1.5
147.08046	11.4
147.11696	13.2
149.09624	32.5
149.13237	6.7
151.11208	2.7
153.09105	4.5
153.12761	10.3
155.08525	4.5
157.10158	10.1
159.08031	3.6
159.11696	15.7
161.09634	9.7
161.13301	3.6
163.11191	45.3
164.11591	1.6
165.09177	7.6
165.12737	6.5
167.08585	1.7
167.10699	1.8
169.10072	5.7
171.10327	2.2
171.11659	8.3
173.09610	4.7
173.11841	2.2
173.13260	5.8
175.11238	7.7
177.12762	5.9
181.12251	8.0
183.11711	3.0
183.23701	2.0
185.09708	1.6
185.13216	4.4
187.11172	4.9
187.14749	2.1
189.11244	22.6
189.12752	3.0
191.10620	8.5
191.14357	2.4
193.12236	5.6
195.11797	2.2
199.14954	1.7
205.12265	5.9
207.11589	1.5
213.16435	1.9
223.13271	50.6
227.12788	25.8
227.17868	3.0
229.19571	3.6
239.17967	5.6
239.91656	1.6
245.18993	4.9
247.20605	4.3
249.14833	3.1
255.17439	4.3
257.19031	9.5
263.20187	1.6
269.17419	3.6
273.18518	47.7
275.20078	68.9
283.15417	4.5
291.19562	78.4
292.19925	1.8
293.21109	38.3
309.20551	9.6
329.21054	1.8
331.22824	1.9
347.22205	19.1
349.23740	41.7
365.23224	54.0
366.23505	2.8
367.24829	60.8
367.29453	3.0
368.25281	1.5
383.24319	19.7
441.71741	1.6
519.33167	4.5
529.36823	1.7
537.34222	1.8
541.35052	1.7
543.36462	2.6
547.37372	2.1
557.43188	1.6
559.36169	4.2
566.88373	1.8
621.41742	10.3
639.42590	45.5
640.43134	2.9
657.43665	58.7
658.44232	2.7
675.44733	25.1
731.77423	1.8
773.00922	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	3.0
65.03942	5.2
67.05508	100.0
69.03433	12.9
69.07070	58.7
69.26465	1.2
70.03735	5.6
70.06583	3.9
70.35991	1.3
70.36399	1.5
71.01363	2.4
71.04980	6.0
73.02893	1.8
74.36342	1.3
74.37908	1.3
77.03939	2.0
79.05495	76.3
81.03426	15.4
81.07056	86.2
83.04993	13.8
83.08627	18.5
85.02882	6.6
85.06534	4.4
91.05485	77.1
93.07046	69.6
95.04977	20.8
95.08607	48.8
97.02921	7.2
97.06538	23.8
97.10172	14.2
99.04475	3.3
99.08080	3.2
103.05457	2.8
105.04528	2.4
105.07032	57.2
106.82265	1.4
107.04955	15.5
107.08601	40.0
109.02896	2.7
109.06522	10.5
109.09470	2.4
109.10162	33.8
111.08086	9.1
113.09591	1.7
115.05466	2.9
115.07527	1.6
116.04787	1.4
116.07078	3.6
117.07022	23.7
119.04937	2.5
119.08585	34.6
121.06489	6.1
121.10139	19.3
121.22860	1.2
123.08085	7.1
123.11684	4.4
125.09647	16.8
127.03913	5.1
128.06227	3.8
129.05475	4.4
129.06985	10.3
130.07774	2.2
131.04916	1.7
131.08577	26.4
133.06483	3.2
133.10132	30.9
135.08058	8.5
135.11681	16.9
137.09613	13.8
139.11198	3.2
141.06966	4.7
142.07762	3.2
143.08566	8.5
145.04973	1.5
145.06470	1.9
145.10120	21.3
147.08064	2.9
147.11693	14.7
149.09628	27.2
149.13245	8.4
151.11165	3.8
153.09105	2.7
155.08591	4.8
155.10704	4.0
157.10153	10.0
159.11688	17.0
161.09663	5.0
161.13322	7.9
163.11169	14.1
167.08575	2.5
167.10681	1.6
169.10101	5.0
171.10199	3.0
171.11691	7.1
173.04402	1.5
173.09579	2.3
173.11696	6.5
173.13264	9.1
175.07489	1.5
175.11185	3.8
175.14804	2.1
177.12756	5.9
179.14305	5.5
181.10106	1.9
183.11716	3.6
185.13266	4.7
187.11212	2.3
187.14835	3.1
189.09468	1.7
189.11221	6.3
189.12764	2.3
193.12286	2.5
195.11708	2.6
195.13817	4.8
197.13264	3.8
198.64180	1.2
199.14865	3.2
201.12746	2.1
205.12292	2.4
209.13307	2.0
211.14822	1.8
223.13278	2.2
227.12773	10.1
229.14325	10.5
229.19508	3.4
233.15379	2.1
239.18002	3.8
247.20670	2.4
253.14262	2.2
253.18021	4.9
255.15938	6.0
257.19025	9.5
259.20627	2.8
267.15875	4.9
269.17447	11.8
273.18439	4.8
275.20084	45.3
291.19559	5.6
293.20996	5.7
295.85706	1.5
321.24142	2.1
331.22748	2.5
333.24234	2.7
346.76526	1.4
349.19806	2.5
349.23727	34.9
350.64435	1.7
365.23053	3.6
367.24805	2.6
407.27762	1.6
409.25732	2.6
423.27423	3.1
445.29382	2.1
474.95508	1.4
475.48456	1.3
503.33582	2.7
505.34616	1.8
511.34076	1.8
527.37555	3.3
529.35107	4.6
543.36835	10.4
623.43225	9.1
641.44391	2.9
647.77332	1.4
648.89417	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.1
65.03930	4.3
65.52585	1.3
67.05511	87.4
67.62437	1.1
69.03435	8.8
69.07075	39.5
69.72651	5.3
69.73060	2.7
69.74429	1.1
71.01343	1.4
71.05000	16.3
71.08621	1.4
73.02907	1.4
73.06554	2.1
77.03934	1.9
79.05499	70.4
80.05839	1.6
81.03420	14.7
81.07063	100.0
83.04987	15.2
83.08620	22.1
84.08167	1.6
85.02900	8.0
85.06539	4.6
91.04909	2.1
91.05491	66.0
93.07051	66.5
95.04982	22.1
95.08613	41.9
97.02899	4.5
97.06535	19.9
97.10185	8.5
99.04476	2.7
99.08108	8.3
101.06052	1.3
103.05448	3.1
105.04533	4.0
105.07035	53.8
107.04974	15.0
107.08603	43.6
108.08946	1.4
109.06527	14.1
109.10167	23.8
111.04413	2.7
111.08076	8.2
112.83385	1.4
113.09621	2.7
115.05404	2.7
117.07032	21.2
119.08594	37.7
120.08941	1.7
121.06534	11.9
121.10154	20.3
123.04439	1.9
123.08064	9.5
123.11729	8.5
125.09621	7.2
127.03959	2.8
127.07552	1.6
128.06224	2.4
129.05519	1.9
129.07036	9.9
130.07784	1.8
130.08618	3.2
131.08583	29.8
132.18678	1.3
133.06477	3.1
133.10141	36.1
135.08066	7.8
135.11700	16.1
137.06015	1.8
137.09616	5.3
139.11133	3.2
141.06964	1.7
142.07684	1.5
143.08578	8.6
145.06462	1.9
145.10130	26.1
147.08118	3.4
147.11697	15.4
149.09636	21.3
149.13252	12.0
151.11154	7.5
155.08578	5.1
157.10133	10.0
159.11690	16.8
161.09604	3.9
161.13269	6.3
163.11195	16.7
163.14844	1.6
164.47554	1.4
165.12817	3.6
168.32285	1.5
169.10147	4.3
171.11702	7.8
173.04544	2.0
173.09604	2.1
173.13281	8.3
175.11250	3.3
177.12782	6.8
179.14343	2.8
181.10152	3.3
181.12195	1.9
183.11743	5.8
185.13307	4.2
187.11249	2.3
187.14859	2.0
189.11250	3.2
189.12846	1.9
191.14349	1.9
193.12366	1.7
195.13791	5.1
197.13287	3.6
199.14822	2.6
205.12221	1.8
209.13290	3.1
209.48167	1.4
211.14847	3.2
213.16475	1.8
215.14337	1.6
227.12846	3.8
229.14372	1.6
229.19533	4.1
239.17979	3.4
247.20590	3.0
253.14268	8.7
253.17912	1.9
255.15988	5.1
257.19077	13.5
267.15836	4.3
269.17502	18.6
273.18573	4.4
275.20087	60.5
285.16992	1.8
291.19647	3.3
293.21143	8.0
307.22693	2.6
331.22568	3.9
335.25867	3.4
349.23779	52.0
350.24155	2.6
360.96304	1.5
367.24860	13.1
381.26675	6.7
425.55646	1.6
431.27969	2.0
445.29373	2.7
449.29102	7.6
463.30719	12.1
508.13342	1.5
510.56747	1.6
515.37073	2.9
525.35522	3.9
529.35919	4.9
543.36853	26.3
544.36798	1.8
561.37848	5.0
567.40692	2.0
575.39105	2.7
623.43097	16.9
641.44025	14.6
655.45447	5.1
673.46747	11.4
870.57104	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	870.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	6.1
65.03933	5.7
65.53167	1.6
67.05507	90.9
67.36893	1.8
69.03436	15.6
69.07072	50.4
71.05002	26.2
71.08631	1.6
71.51313	2.6
73.02895	4.2
73.06568	2.8
74.94930	1.7
79.05495	86.4
81.03432	14.5
81.07061	100.0
82.07394	2.5
83.04980	15.2
83.08623	19.0
84.08158	3.5
85.02903	10.5
85.06544	5.8
87.04511	1.8
88.79134	1.8
91.05487	91.0
92.05828	1.9
93.07048	78.0
95.04976	17.1
95.08608	54.3
95.31228	1.9
97.02907	11.0
97.06523	17.4
97.10172	6.5
99.08083	12.3
103.05460	4.0
105.04499	2.3
105.07037	72.2
107.04976	9.6
107.08600	51.7
109.02897	1.8
109.06535	11.6
109.10162	18.8
111.04485	4.0
111.08065	9.4
113.09650	5.5
115.05454	7.3
117.07021	34.6
119.08585	51.1
119.60806	1.8
121.06503	7.5
121.10145	22.5
123.08048	4.8
123.11681	6.8
125.09614	6.8
127.03918	6.0
128.06200	5.5
129.05516	3.4
129.07022	18.8
130.07771	2.7
130.08665	2.4
131.08563	40.4
133.06485	6.4
133.10135	41.6
135.08034	8.9
135.11716	14.6
137.09653	5.3
139.11198	3.5
141.06963	7.5
142.07707	2.3
143.08583	14.9
145.04958	2.9
145.06491	3.9
145.10107	29.5
147.08044	3.7
147.11717	21.1
149.09639	16.3
149.13254	12.1
151.11200	6.2
155.08554	6.7
157.10153	14.4
159.07977	2.6
159.11697	22.1
161.09654	2.7
161.13237	10.6
163.11148	9.3
165.12836	2.4
167.08568	3.0
169.10123	8.0
171.07985	2.2
171.11668	12.7
173.04402	2.9
173.09589	2.1
173.13261	9.8
175.11215	5.1
175.14876	3.6
177.12755	6.9
179.14355	4.7
181.10072	5.7
183.11688	9.1
185.13274	6.1
187.11243	2.8
187.14809	2.6
189.12698	3.6
189.16383	2.2
195.11769	3.6
195.13799	3.3
197.13283	6.4
199.14812	4.8
201.16513	1.9
205.12346	2.1
209.13309	4.2
211.14825	2.8
217.10141	1.8
221.13258	2.6
223.14963	2.9
229.19492	3.6
239.17917	3.1
241.19533	3.8
247.20561	3.1
249.16376	2.0
253.14296	3.5
254.14696	3.2
257.19034	4.7
258.97433	1.9
259.20587	11.0
267.15927	2.2
269.17365	9.7
273.18518	2.9
275.20102	25.5
291.19696	2.5
307.22922	2.9
331.22467	2.7
333.24323	15.2
335.26077	4.8
338.58368	2.3
349.23694	11.0
431.28122	2.3
433.31085	2.3
435.32614	3.0
449.29352	2.3
463.31226	3.8
513.35876	8.6
527.37317	16.4
529.38995	3.1
543.36615	7.7
607.43823	10.4
625.44373	6.6
639.46313	2.4
846.14532	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	1.4
65.03931	5.3
66.58248	1.3
67.05509	66.2
69.03437	14.2
69.07072	47.7
69.57660	2.7
69.58067	5.8
71.01343	2.0
71.04996	4.1
72.56429	1.4
73.02897	1.5
79.05495	60.6
81.03413	10.9
81.07060	54.2
83.04981	12.0
83.08618	12.5
85.02895	2.9
85.06542	3.5
91.05480	50.8
93.07046	48.8
95.01331	1.7
95.04976	19.8
95.08612	37.3
97.02915	10.1
97.06533	18.9
97.10182	12.9
98.20812	3.0
99.08122	1.5
103.05438	2.3
105.04528	2.3
105.07038	39.0
107.04217	2.2
107.04947	23.7
107.08600	28.4
109.02855	2.3
109.06524	9.8
109.10148	26.0
111.04456	2.8
111.08086	5.5
115.05439	3.7
117.07013	19.1
119.04934	3.7
119.08582	30.9
121.06513	12.7
121.10149	14.2
122.07305	2.5
123.04435	2.5
123.08093	5.0
123.11697	2.1
125.09653	10.7
128.06189	3.1
129.05502	3.0
129.07019	7.2
130.07794	1.9
131.08580	20.7
133.06477	6.9
133.10136	20.6
135.08038	8.6
135.11691	9.5
137.09622	9.8
141.06989	2.2
142.07846	2.4
143.08609	7.7
145.06482	3.7
145.10135	17.7
147.08087	8.3
147.11691	10.5
149.09592	13.9
149.13249	5.6
151.11221	3.2
155.08580	1.6
157.08920	1.4
157.10109	6.4
159.08054	2.8
159.11688	12.8
161.09624	8.8
161.13264	4.7
162.10481	1.6
163.11153	8.3
165.09119	3.6
169.10172	3.7
171.10281	1.8
171.11684	5.8
173.11809	2.7
173.13280	2.9
175.11215	3.5
177.09024	1.5
177.12778	4.8
179.14241	2.3
183.11752	3.2
185.13257	2.5
187.14862	1.8
189.11227	4.2
189.12735	2.4
189.36446	1.4
195.13910	1.8
197.13295	1.7
203.10583	1.9
205.12262	2.2
215.17975	1.5
223.13272	17.1
227.12660	6.8
229.14366	4.0
229.19496	1.7
233.15405	3.0
239.17982	2.8
245.19054	2.6
247.20605	2.4
249.14909	5.2
257.18997	7.1
263.20016	2.3
269.17511	3.0
273.18478	14.2
275.20065	22.4
290.18610	1.7
291.19550	100.0
331.22583	2.3
333.24335	1.7
347.22269	2.6
349.23734	22.2
365.23267	22.7
366.23566	1.8
381.22830	4.3
461.28696	3.7
519.33569	7.0
543.36682	5.8
575.36145	1.7
639.42645	22.6
657.01337	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.9
67.05508	5.2
69.03426	3.1
69.07069	3.6
71.04991	0.7
71.51515	0.9
73.02901	2.6
79.05489	4.7
79.05856	0.5
81.03411	0.6
81.07052	5.4
83.08640	1.2
85.02909	3.7
86.09716	0.6
91.03979	1.9
91.05492	3.4
93.07041	5.1
95.04980	0.9
95.08616	3.3
96.08955	0.5
97.02888	3.4
97.06524	0.5
97.10172	1.1
99.04447	0.8
101.02399	1.2
105.07012	2.5
107.08599	2.8
109.02920	0.9
109.06518	0.7
109.10190	1.2
117.07016	1.3
119.08602	2.8
121.06522	2.1
121.07289	0.4
121.10183	1.8
123.08081	0.6
125.09661	0.6
127.03944	0.8
131.08574	1.1
133.10161	1.8
135.11714	1.1
143.08641	0.6
145.10139	0.5
147.11696	1.3
149.13258	0.8
159.11700	1.0
161.05946	0.5
161.13251	0.8
164.07051	1.1
177.07906	0.7
184.07358	0.6
185.04245	0.7
215.16699	0.4
243.08475	2.7
246.99127	0.6
268.19296	0.5
301.09134	0.9
313.08926	0.6
315.10623	0.8
316.31659	0.4
351.21481	2.0
385.18802	0.6
443.19016	0.5
525.46680	0.5
535.28809	4.5
569.29199	5.5
641.31842	1.4
655.34009	0.4
657.45270	1.7
683.47266	1.5
701.47375	1.3
765.35547	0.6
819.50232	1.0
845.51941	1.1
863.51300	100.0
864.51532	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	861.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	4.6
67.05513	4.8
69.03435	2.7
69.07081	1.8
70.16336	1.6
71.04996	1.6
73.02921	3.6
74.85883	0.3
79.05495	3.8
81.03416	1.7
81.07056	5.4
83.08616	0.6
85.02911	4.7
87.04462	0.4
91.03962	2.9
91.05482	3.1
93.07043	3.9
95.05001	0.9
95.08614	3.1
97.02885	4.7
97.06548	0.7
97.10176	1.0
97.90211	0.4
99.04476	0.6
101.02387	1.5
103.03928	0.4
105.07056	1.3
107.08598	2.5
109.02892	0.8
109.06557	0.5
109.10183	1.7
115.03930	0.6
117.07049	0.7
119.08608	1.1
121.06525	0.3
121.10188	1.6
125.09653	0.5
127.03922	1.6
131.08568	0.9
133.10158	1.0
134.86113	0.4
135.11725	0.8
145.04942	0.4
145.10150	0.4
147.11668	0.4
159.11714	0.8
167.14246	0.3
168.92003	0.4
174.61275	0.3
184.07346	0.7
185.04314	0.9
190.08823	0.4
243.08351	2.0
248.74799	0.4
324.02975	0.4
335.25925	0.5
365.22998	3.5
485.23590	0.5
513.23413	0.5
519.29370	4.7
583.30890	5.1
861.53375	100.0
862.53772	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	861.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02811	5.1
61.03164	1.8
67.05377	5.3
67.05778	1.6
69.03305	4.0
69.06943	3.1
69.45274	3.0
69.45686	1.2
71.04910	0.8
73.02787	4.2
77.03767	0.5
79.05361	7.3
79.05860	1.2
81.03291	2.6
81.06917	7.8
83.04854	1.8
83.08508	1.9
83.08924	0.7
85.02769	5.9
85.03323	0.8
86.09576	0.6
87.04355	0.7
91.03820	3.2
91.05340	6.3
91.05941	1.2
93.06894	6.3
95.04816	2.8
95.08460	4.3
95.09095	1.4
97.02744	5.5
97.06428	1.2
97.10066	0.8
97.86610	0.7
98.20770	1.3
99.04342	1.2
101.02230	1.9
105.06870	5.1
107.08438	3.9
107.99890	0.6
109.02773	1.2
109.06409	1.2
109.09999	2.1
109.10649	0.6
117.06848	1.8
117.07612	0.7
119.08409	3.4
121.06401	1.3
121.09985	2.0
127.03738	1.9
129.05385	0.9
129.06935	1.2
131.08453	1.7
133.09952	2.6
135.11545	1.3
136.06013	0.7
137.05856	1.3
139.03769	0.8
140.71544	0.6
143.08446	1.4
145.10008	1.5
147.11502	2.0
149.09508	0.8
151.11061	0.9
157.10051	0.7
159.11554	0.7
161.13141	1.3
163.11055	1.1
171.11563	1.3
184.07230	1.8
185.04001	1.8
203.05153	0.9
243.08470	4.6
247.12920	1.1
252.49812	0.6
263.12701	0.8
301.08798	2.4
301.23749	0.7
303.15619	1.1
313.08969	0.8
315.10464	1.3
333.20346	6.5
373.10696	0.8
385.18253	1.0
389.23004	1.3
453.20935	1.1
463.23273	0.7
465.20993	14.5
466.20840	1.0
481.20392	0.8
495.21881	0.9
525.22980	1.7
533.26971	1.4
535.29443	0.9
551.28387	19.3
552.28595	1.0
613.36603	0.8
623.30121	0.9
677.36011	1.2
689.35315	1.5
699.46246	2.0
705.34100	1.1
745.40472	2.2
763.42639	3.8
774.41284	0.9
775.42401	86.6
776.42529	5.0
843.48645	10.0
861.49402	100.0
862.49695	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.5178
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	3.0
63.67861	0.4
67.05511	4.9
69.03437	3.0
69.07070	2.8
69.75240	1.9
69.75653	0.9
71.01404	0.5
71.05012	1.1
73.02920	2.9
79.05503	5.6
81.03439	1.7
81.07065	5.3
82.07446	0.5
83.05008	0.9
83.08637	1.0
84.14668	0.5
85.02917	4.2
91.03983	1.7
91.05494	5.1
93.07059	5.3
95.04977	1.2
95.08634	2.9
97.02907	3.5
97.06589	1.0
99.04478	1.1
101.02419	1.2
105.07028	4.1
107.08604	2.5
109.02869	0.5
109.06508	0.7
109.10146	0.9
117.07029	1.3
119.08623	2.1
121.10211	1.8
127.03967	0.8
129.07016	0.6
131.08620	1.3
133.10185	2.1
135.11711	1.3
139.03908	0.5
143.08630	0.7
145.10172	0.9
147.11746	1.7
159.11740	0.9
161.13348	0.5
185.04332	0.9
243.08313	2.6
255.23302	1.2
277.16559	0.5
289.55099	0.5
301.09018	1.3
308.58322	0.5
312.58994	0.5
317.21283	0.5
335.25525	0.5
336.26215	0.6
341.12302	0.6
347.22202	2.0
373.11841	0.5
385.18390	0.6
388.27695	0.5
465.21158	1.1
525.22827	0.5
535.28790	7.4
565.29932	4.3
627.43982	0.6
637.32269	0.7
707.39832	0.6
773.39496	3.5
859.51849	100.0
860.52087	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	859.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.6
65.03923	0.7
65.38948	0.5
67.05508	10.6
68.05814	0.6
69.03371	4.6
69.07072	5.2
69.79869	0.5
70.07341	0.5
71.01305	0.6
71.04940	1.3
71.51455	0.7
73.02926	2.9
79.05494	8.4
80.05759	0.8
81.03422	3.4
81.07060	8.9
82.07359	0.7
83.04903	1.5
83.08620	2.5
85.02909	3.9
91.03965	3.2
91.05491	7.3
92.05757	0.6
93.07047	8.2
94.07343	0.6
95.04901	2.0
95.08610	5.6
97.02295	0.6
97.02880	5.7
97.06496	1.0
97.10103	2.0
99.04409	0.7
101.02373	2.4
105.07038	5.5
107.04916	0.8
107.08595	3.7
108.05218	0.5
108.08903	0.6
109.02814	0.8
109.06476	1.1
109.10161	2.8
111.08025	0.9
115.05382	0.6
117.06952	1.5
117.81765	0.5
119.08588	3.7
120.08880	0.5
121.06475	0.8
121.10138	2.2
123.08044	0.8
125.09565	1.8
127.03852	1.9
129.06975	0.9
131.08466	1.9
133.10080	2.1
135.07996	1.6
135.11678	1.0
143.08549	0.5
145.10075	1.3
147.11679	2.4
149.09624	0.8
149.13254	1.1
157.10121	0.6
159.11642	0.9
161.13203	1.4
163.11122	0.7
165.12605	0.5
169.10243	0.5
171.11624	1.0
173.13249	0.7
185.04160	1.2
189.11089	0.5
223.13307	1.6
229.14178	1.0
243.08409	4.3
247.13004	1.5
261.22101	0.5
262.22537	0.9
269.17422	0.6
276.20459	0.6
287.16098	0.6
291.19461	1.9
301.08737	0.6
319.21774	0.5
331.18872	3.0
335.22058	0.5
335.25677	2.5
336.26108	1.6
347.02182	0.5
387.21436	1.0
453.21048	0.6
465.21017	12.6
466.21432	0.8
481.20633	0.6
490.36139	0.9
522.92432	0.6
530.39294	0.6
533.27588	1.2
549.26740	12.3
551.28625	2.9
565.25983	0.6
588.19281	0.6
610.45209	1.3
611.36127	1.0
621.28894	0.7
639.35229	0.9
703.32172	2.4
721.33698	1.0
743.39661	2.9
761.41217	4.1
773.40839	100.0
774.41125	5.9
813.46002	0.7
841.46912	12.4
859.47839	29.3
860.48230	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95427	0.6
61.02927	4.1
67.05511	9.9
68.05872	0.7
69.03432	4.3
69.07069	3.5
71.05034	1.3
73.02968	2.6
79.05499	8.6
80.05860	0.6
81.03477	2.5
81.07061	10.2
83.05023	1.4
83.08670	2.3
85.02908	4.5
91.04012	2.3
91.05486	8.9
93.07043	7.6
94.07439	0.8
95.05005	1.9
95.08621	5.0
96.09011	0.8
97.02901	3.5
97.06596	1.6
97.10226	1.4
99.04510	1.3
101.02428	1.6
105.07034	6.5
107.05009	1.0
107.08620	4.4
108.08977	0.8
109.02917	0.7
109.06599	0.8
109.10163	4.3
110.10528	0.7
111.08160	0.7
117.07140	1.8
119.08596	2.7
121.06612	2.3
121.10226	1.8
123.08199	0.7
127.03999	1.9
129.05518	0.7
129.07071	1.2
131.08658	1.5
133.10138	4.7
135.08192	0.6
135.11778	1.2
143.08646	0.9
145.10202	1.3
147.11786	2.2
149.09712	1.0
149.13370	0.7
151.11282	1.5
159.11775	0.6
161.09697	0.9
161.13324	1.4
171.11823	1.2
177.12875	0.7
184.07393	0.8
185.04349	1.1
203.05415	1.0
243.08409	4.0
247.13216	1.3
247.20593	0.7
256.72812	0.5
273.14920	0.6
275.20255	0.6
276.20444	0.7
281.17654	0.8
331.18829	4.0
333.20816	0.7
334.39978	0.6
335.25851	2.8
336.26483	1.5
349.23911	0.8
387.21243	1.1
402.30310	0.6
453.21204	0.8
465.20996	12.8
489.35855	0.7
490.36389	1.6
530.39362	1.2
533.27148	1.3
537.23456	1.0
549.26752	9.9
551.28369	2.0
610.45862	1.9
611.35675	1.2
628.46753	0.8
639.34991	0.9
691.36340	0.8
703.33081	0.9
721.33936	1.8
743.39734	2.0
761.40961	4.2
772.39545	0.7
773.40839	100.0
774.41058	5.6
841.46771	7.3
842.46912	0.7
859.47906	27.7
860.48199	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	858.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08169	4.8
61.02928	4.7
65.03953	6.3
67.05506	74.1
69.03422	4.0
69.07067	29.2
71.25025	6.2
79.05497	60.8
81.03414	6.8
81.07058	74.7
83.08619	14.4
85.02938	3.3
85.06533	4.0
86.09703	29.1
91.05486	60.1
93.07050	59.5
95.04973	13.6
95.08610	48.8
97.06558	4.6
97.10151	8.5
98.98491	3.7
103.05471	3.4
104.10754	3.8
105.04498	4.0
105.07034	65.2
107.04952	8.4
107.08612	38.3
109.06515	8.0
109.10168	30.1
111.08102	4.4
117.07001	23.0
119.08587	42.8
121.06524	7.5
121.10172	23.1
123.08092	7.2
123.11685	6.8
125.00031	19.8
125.09655	4.5
129.07022	13.6
131.08572	30.0
133.10153	30.7
135.08058	6.9
135.11691	13.7
141.07045	3.4
143.08557	11.6
145.10114	19.0
147.11700	29.2
149.09654	7.5
149.13272	9.4
149.92470	3.0
150.07742	23.5
155.08559	8.1
157.10164	13.2
159.11720	19.1
161.13258	12.7
163.11150	4.9
169.10172	7.3
171.11719	12.6
173.11871	4.2
173.13240	8.1
175.14769	3.7
181.10168	4.1
183.11734	6.6
184.07350	100.0
184.79614	3.5
185.13196	8.4
197.13278	5.2
199.14819	6.1
201.07886	4.9
206.04227	3.6
210.68018	3.4
229.14392	10.2
231.21170	6.1
241.19460	9.9
257.19080	5.6
259.20599	33.5
269.17432	12.9
275.20190	26.6
293.20993	3.9
333.24246	51.3
335.26202	5.1
349.23874	10.8
367.24829	10.9
468.57257	3.8
487.34464	4.1
505.35049	6.9
509.36484	4.8
513.35547	6.9
515.38007	7.9
527.37311	39.5
545.38434	6.2
607.44073	17.2
625.44751	26.2
696.44519	9.2
858.51178	20.9
859.48163	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	858.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93972	0.3
65.03958	1.8
67.05502	0.6
68.01517	0.3
68.99809	1.6
70.06597	100.0
71.06928	0.6
71.50902	0.5
79.05481	0.7
81.03423	1.2
81.07079	0.4
91.05502	1.0
93.03444	1.2
95.04971	1.5
103.05498	0.4
105.03415	0.4
105.07034	0.6
109.06532	0.6
111.04473	0.5
115.05460	0.5
119.04966	1.3
121.02873	0.9
121.06535	1.4
123.04441	5.6
127.03915	0.3
133.02898	1.1
133.06494	0.5
135.04422	0.7
137.05989	5.2
138.09213	0.4
139.03917	17.5
141.07031	0.3
147.04448	1.6
149.02357	0.9
149.05998	0.7
151.03915	14.8
153.01831	3.1
153.05508	1.0
153.06902	0.3
155.08626	0.4
159.04478	1.0
161.05995	1.8
163.03906	5.3
165.05498	14.0
165.06891	0.5
167.08473	0.3
169.06546	0.8
171.04375	0.4
171.08160	0.5
173.05983	0.7
175.03926	2.2
177.05495	2.0
179.03409	17.4
180.03831	0.5
181.06540	1.0
185.05994	0.8
187.03969	1.5
187.07655	0.5
189.05492	2.3
191.03456	0.7
191.07013	0.5
193.05013	0.5
195.08148	0.6
197.06143	0.8
199.07681	0.9
200.11665	0.3
201.05521	1.7
203.03419	1.6
205.04979	2.2
209.06010	0.9
211.03925	0.5
211.07655	0.8
213.05583	1.8
215.03474	0.4
215.07053	1.5
217.04993	1.6
223.07549	0.4
225.05609	0.6
226.06195	0.4
227.06985	1.5
229.04930	2.5
231.06680	0.9
237.05530	1.5
239.07146	1.4
241.04984	1.5
243.06638	1.2
245.04639	0.7
251.07117	1.3
253.05124	0.7
255.06483	2.9
257.04547	0.9
257.08252	1.2
259.06116	0.7
261.04065	0.9
262.34247	0.4
265.05011	0.7
267.06479	1.5
269.04684	0.5
269.08157	1.1
271.06018	6.4
279.06586	1.5
283.06039	7.2
285.07675	1.2
287.05707	0.7
289.07205	1.2
295.06046	3.0
297.07608	2.1
299.05524	2.5
301.07089	14.1
307.06021	0.9
311.05649	0.6
313.07117	5.7
317.06531	3.6
323.05685	1.2
325.07071	9.9
331.08224	0.7
343.08054	2.3
371.09439	0.4
389.10352	0.5
400.13815	1.7
417.10297	0.6
425.08868	0.3
427.08267	1.0
445.09219	7.1
445.15085	0.6
459.09180	0.4
463.10278	5.5
467.09988	0.6
481.11218	1.8
521.34192	0.4
595.10675	0.3
631.15173	0.7
633.12616	3.8
789.16467	0.5
801.03180	0.5
801.16840	3.4
803.22809	0.3
820.33447	0.4
858.22430	18.9
859.22748	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.4
68.99803	1.9
70.06594	100.0
70.98055	0.7
70.98417	0.4
71.06920	1.0
77.63428	0.3
79.05482	0.5
81.03421	1.3
81.07053	0.5
86.76856	0.3
91.05494	1.3
92.51623	0.3
93.03429	0.5
93.07080	0.5
95.04972	1.5
96.08138	0.6
97.02910	0.4
103.05488	0.5
105.03407	0.5
105.07036	0.4
109.02874	0.7
109.06546	0.8
109.75027	0.3
111.04440	0.7
119.04990	1.2
121.02907	1.3
121.06503	3.4
123.04436	5.6
133.02873	1.4
133.06528	0.8
135.04427	0.8
137.05981	5.8
137.06944	0.4
139.03905	17.5
145.06503	0.6
147.04425	1.6
149.02315	0.4
149.05989	0.6
151.03909	15.0
153.01857	2.8
153.05521	0.8
153.07082	0.4
153.19592	0.3
155.08667	0.4
157.06572	0.4
159.04453	0.8
161.05966	2.1
163.03903	5.2
165.05490	12.5
165.06697	0.5
167.03529	0.3
171.04427	0.4
173.05995	0.9
175.03918	2.8
177.01921	0.5
177.05493	2.3
179.03398	15.3
181.05116	0.4
181.06548	1.4
185.06061	1.0
187.03949	1.5
187.07547	0.6
189.05499	1.8
191.03497	1.3
191.07187	0.5
193.05037	0.4
197.06084	0.6
199.03989	0.5
199.07628	1.2
201.05478	2.1
203.03397	1.9
203.07146	1.0
205.05006	3.4
209.06062	1.2
211.07579	0.5
213.05426	1.6
215.03479	0.4
215.07124	1.3
217.04990	2.4
221.06120	0.5
223.07594	0.7
225.05621	0.5
226.06114	0.5
227.03429	0.6
227.07088	2.9
229.04961	3.6
229.06668	0.3
231.02943	0.5
231.06633	0.7
237.05586	1.3
239.07161	1.7
241.04996	1.6
243.06613	1.4
245.04521	0.8
251.07170	1.8
253.05028	0.8
255.06584	3.2
257.04553	1.1
257.08133	0.7
259.06097	0.8
265.05148	0.5
267.06573	1.4
269.04544	0.5
269.08112	0.8
271.05994	6.5
273.07605	0.4
279.06525	2.3
283.06055	6.0
284.06592	0.4
285.07730	1.0
287.05716	0.3
289.07007	1.6
290.10333	0.8
295.06119	2.4
297.07584	1.8
299.05426	2.3
301.07080	15.8
302.07388	0.5
307.06061	0.8
313.07059	6.0
317.06601	3.2
323.05716	1.4
325.07095	8.2
331.08191	0.5
337.07108	0.4
343.08035	2.7
389.10190	0.6
400.13901	1.8
433.09348	0.6
445.09247	6.2
451.10370	1.0
463.10208	5.9
467.09732	0.5
469.11841	0.4
481.11505	2.3
613.13031	0.4
631.14343	0.8
633.12445	3.3
740.32843	0.4
789.16150	0.6
801.16675	2.8
826.10638	0.4
858.22449	19.6
859.22711	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.578
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	2.5
65.03930	5.4
67.05508	100.0
69.03412	5.1
69.07071	26.3
69.21812	2.9
69.22156	17.8
71.04977	10.5
75.32276	1.7
79.05496	63.7
81.03423	10.3
81.07060	81.0
83.04969	7.4
83.08617	15.0
85.02901	3.8
85.06542	4.5
91.05489	44.5
93.07049	74.0
95.04951	8.0
95.08611	56.8
96.08955	1.9
97.02879	3.8
97.06532	10.6
97.10162	7.0
98.21490	3.2
99.04392	1.9
99.08105	3.2
105.03397	1.7
105.04491	3.1
105.07035	30.8
107.04957	5.2
107.08598	42.5
109.06522	3.7
109.09469	3.1
109.10157	38.8
111.08095	6.2
112.62616	1.5
115.05389	1.9
117.07005	15.7
119.08600	22.2
121.06469	2.4
121.10142	30.3
123.08070	4.1
123.11683	6.0
125.09612	3.9
127.03912	2.2
129.06979	5.2
131.08562	18.7
133.10135	18.8
135.07974	1.7
135.11679	13.9
137.09561	2.8
137.13254	1.8
143.08604	4.1
145.10132	16.8
147.11708	11.4
149.09604	7.5
149.13312	10.8
151.11098	2.2
155.10628	2.6
157.10162	3.1
159.11682	12.2
161.13248	7.7
163.11188	4.0
163.14798	1.9
165.12778	1.9
171.11655	4.5
171.55319	1.7
173.11809	3.3
173.13226	5.7
175.11261	2.6
177.12744	4.3
179.14337	2.7
183.11697	2.2
185.13289	1.7
195.13805	3.8
213.16434	1.9
227.12785	3.7
229.14301	19.7
243.20941	2.5
257.19006	3.9
261.22083	8.8
269.17398	11.0
269.59644	1.8
275.20129	17.6
293.17499	2.8
317.24832	1.9
323.69412	1.8
333.24200	3.1
335.25806	91.9
339.18079	3.8
349.23795	14.8
369.23862	3.0
381.26419	3.9
387.25406	1.9
413.21597	7.8
416.44327	1.9
433.66492	1.9
489.35767	24.2
507.36673	2.2
529.38947	87.4
530.39301	5.8
609.45233	31.9
610.45197	2.3
627.45404	3.4
641.47943	10.4
655.41956	2.1
673.42859	12.8
691.45166	3.0
693.48755	1.8
840.18201	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.1
65.03947	5.1
67.05513	90.2
67.51604	2.4
69.03416	13.9
69.07073	38.5
70.83405	2.0
71.04986	6.5
71.15705	4.6
73.02927	3.6
77.03937	2.7
78.30096	1.8
79.05500	85.8
81.03426	17.9
81.07063	100.0
83.04989	17.8
83.08621	16.3
85.02899	5.9
85.06541	4.9
86.79244	1.8
91.05489	83.3
93.07055	84.5
95.04978	18.6
95.08616	46.9
97.02896	7.0
97.06543	14.3
97.10181	7.7
99.04443	2.2
99.08089	3.5
103.05455	2.4
105.04501	2.3
105.07038	74.8
107.04958	9.2
107.08601	46.4
107.93372	1.7
109.02902	3.9
109.06520	9.7
109.10162	20.5
111.08103	8.7
113.09684	1.9
115.05471	2.1
117.07034	31.1
119.08591	52.1
121.06521	7.4
121.10162	28.5
123.08070	7.1
123.11723	5.9
125.09650	3.5
127.03938	4.3
128.06274	2.8
129.05495	2.3
129.07016	14.4
131.08575	35.1
133.09143	2.9
133.10138	42.2
135.08093	6.7
135.11688	24.4
137.09662	5.0
141.00832	2.7
141.07054	4.3
142.07755	3.0
143.08565	14.6
145.06514	2.5
145.10127	26.9
147.08005	3.3
147.11691	30.3
149.09615	10.9
149.13272	15.6
151.11180	6.7
155.08572	4.6
157.10133	12.0
159.07956	2.1
159.11688	21.7
161.09644	4.2
161.13284	12.2
163.11195	9.6
163.14943	2.2
167.08612	2.2
169.10126	8.4
171.11646	12.9
172.23727	2.1
173.09581	1.9
173.13258	10.0
175.11180	3.2
175.14868	5.9
177.12724	7.4
179.14343	2.6
181.10106	2.7
183.11714	6.2
185.13255	6.6
187.11185	2.8
187.14937	3.9
195.11745	4.0
195.13818	7.0
197.13281	5.6
199.14972	3.9
207.13850	2.2
211.14990	2.5
227.12790	3.2
229.19630	2.0
231.20984	2.4
241.19595	5.4
247.20375	2.1
253.14404	4.6
254.14697	2.0
255.15935	6.2
257.19052	7.6
259.20569	16.0
261.22241	2.2
267.15952	2.8
269.17447	22.7
273.18420	2.9
275.20108	21.0
276.20566	2.0
292.19824	2.4
315.23395	2.6
333.24377	17.2
349.23813	11.3
367.24405	3.3
409.30475	2.3
449.29135	3.5
453.33752	3.0
463.30133	6.1
513.35870	7.0
527.37396	10.4
543.36652	5.5
545.38257	2.5
607.43555	4.1
625.44647	5.4
684.36548	2.1
857.46332	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	6.8
65.03944	7.1
67.05511	89.1
69.03432	13.5
69.07072	40.0
69.07463	1.4
71.04993	7.1
71.08597	1.3
73.02911	4.0
77.03924	2.5
79.05499	89.1
81.03422	15.4
81.07063	100.0
83.03847	1.0
83.04996	15.3
83.08624	14.2
85.02906	11.2
85.06524	4.2
87.04427	1.3
91.03979	2.5
91.05489	93.5
93.07053	84.9
95.04985	14.8
95.08614	60.1
97.02898	12.0
97.06541	15.8
97.10162	7.3
98.09701	3.6
99.04446	2.0
99.08099	6.0
101.02361	1.6
103.04003	1.0
103.05468	3.3
105.04517	3.1
105.07037	78.3
107.04966	6.8
107.08603	42.6
109.02893	2.2
109.06529	8.4
109.10165	19.3
111.04481	2.9
111.08086	7.3
111.11755	1.2
113.09652	1.7
115.05466	5.1
116.06218	2.0
117.06233	2.2
117.07027	36.5
119.08591	60.9
120.08899	1.3
121.06490	4.7
121.10158	29.0
123.08056	6.8
123.11720	6.2
125.09625	3.7
127.03914	4.6
128.06239	6.2
129.05554	6.2
129.07016	24.4
130.07765	3.2
131.07587	2.2
131.08577	44.5
133.06477	3.2
133.10144	44.1
135.08086	6.8
135.11694	21.6
137.09601	4.3
137.13269	1.2
139.11186	1.8
141.06996	6.8
142.07803	5.5
143.08585	20.9
144.09380	2.0
145.05003	1.9
145.06552	2.3
145.10133	33.8
147.08081	3.1
147.11703	31.4
149.09627	10.6
149.13269	14.8
151.11206	2.7
153.09099	1.3
155.08589	10.0
156.09297	1.5
157.10149	18.9
158.10867	1.5
159.08102	1.8
159.11696	23.7
161.09613	2.3
161.13281	15.1
163.11241	5.5
163.14804	1.7
165.07007	2.0
165.12750	1.3
165.63847	1.0
167.08557	3.7
168.09286	1.3
169.10139	11.8
171.10278	1.9
171.11694	17.8
173.04465	1.5
173.09631	2.0
173.11865	1.1
173.13263	12.0
175.11157	3.1
175.14789	5.0
177.12785	3.4
179.10728	1.1
179.14333	3.2
181.10168	5.0
183.11667	9.5
185.09616	1.0
185.13280	12.8
187.11136	2.1
187.14883	4.9
189.12796	2.1
189.16408	2.6
193.10126	2.1
195.11755	5.2
195.13844	3.6
197.13313	8.3
199.14798	6.7
201.16394	1.8
202.74783	1.0
203.18094	1.1
205.15892	1.3
207.11736	2.0
207.13766	1.5
209.13274	5.1
211.14809	4.5
213.16418	3.4
215.14389	1.2
215.17891	1.1
219.17618	1.2
221.13269	1.3
223.14832	3.4
225.16373	3.1
227.12811	2.3
227.18037	1.8
229.14267	1.8
229.19534	1.5
231.21042	2.1
233.15401	1.3
235.14940	1.2
237.16412	2.9
239.17973	3.6
241.19537	5.1
247.20721	1.3
249.16411	1.5
257.19086	5.3
258.76840	1.0
259.20596	17.6
261.22147	1.4
265.19507	1.2
269.17487	11.2
271.20691	1.5
275.20154	10.9
277.21661	1.5
281.17380	1.9
283.20496	1.3
287.20029	1.1
287.47803	1.0
293.21439	1.3
297.21838	1.3
299.23825	1.1
303.15860	1.2
311.23703	1.4
315.23206	4.0
323.23639	1.2
327.23264	1.6
333.24219	14.5
335.25928	3.3
339.26971	1.4
349.23764	6.1
385.65649	1.2
395.29422	1.1
417.31296	1.3
421.30923	1.2
435.32773	1.6
513.35809	3.0
515.37054	1.7
517.39990	2.6
527.37512	10.6
528.37671	1.3
539.37433	1.7
543.36609	1.3
591.43787	1.8
607.43488	3.7
609.36298	1.5
609.45306	18.2
625.44965	2.8
633.00421	1.0
706.56805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.9
65.03931	7.2
67.05512	93.5
69.03440	11.9
69.06731	3.7
69.07075	50.8
69.85110	4.6
69.85515	8.5
71.04997	6.1
73.02934	3.0
79.05502	86.9
81.03431	16.6
81.07065	100.0
83.04985	16.7
83.08623	19.3
83.92886	2.3
85.02887	8.6
85.06544	5.3
91.05486	89.3
93.07055	87.0
95.04987	17.9
95.08613	56.8
96.05240	2.0
97.02884	6.6
97.06536	16.9
97.10180	9.1
99.08082	5.6
103.05485	5.2
105.07037	80.7
107.04965	15.2
107.08604	43.9
109.06547	10.6
109.10168	25.7
111.04485	2.7
111.08078	6.4
113.09678	3.1
115.05459	8.5
116.06234	2.7
117.07021	29.7
119.08586	50.8
121.06535	6.5
121.10155	29.0
123.08084	7.4
123.11713	6.2
125.09625	7.8
127.03913	5.7
128.06216	6.1
129.05521	2.8
129.07021	17.1
130.07759	2.8
131.08586	43.7
133.10139	39.7
135.08051	6.5
135.11722	20.5
137.09598	5.3
139.11227	2.6
141.07025	4.8
143.08554	18.0
145.10123	36.4
147.08035	2.9
147.11694	25.7
149.09651	17.0
149.13263	12.2
150.73251	2.3
151.11157	3.9
153.23711	2.4
155.08565	12.8
157.10120	13.3
159.07991	2.8
159.11716	24.5
161.13248	13.9
163.11215	14.0
167.08598	3.8
169.10159	9.5
171.11696	17.4
173.11919	2.2
173.13304	10.7
175.11276	2.6
175.14882	6.0
177.12776	3.0
179.08623	2.7
179.14326	6.0
181.10085	4.4
183.11668	9.9
185.13295	10.3
187.11130	2.3
187.14784	5.4
189.11201	4.4
189.12732	3.2
189.16467	2.5
195.11723	5.0
195.13730	5.7
197.13254	6.8
199.11165	3.3
199.14824	5.5
201.12740	2.4
204.80365	2.2
209.13118	3.2
211.14845	3.5
213.16469	3.9
223.14786	2.8
227.12703	4.4
229.14349	2.6
229.19769	2.9
237.16425	2.5
241.19563	4.8
243.15953	2.5
255.16026	3.3
257.19064	10.9
259.20535	16.4
269.17484	14.1
275.20090	25.4
291.19669	2.9
293.21231	3.1
313.21826	2.9
315.23267	4.7
331.22794	4.0
333.24249	16.5
334.02237	2.2
349.23743	15.4
367.24899	2.1
449.28912	3.0
453.34012	2.7
463.30573	6.3
475.30188	3.2
513.35779	15.3
527.37378	12.4
543.36633	6.6
607.43494	13.0
625.44885	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	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49829	1.5
61.02919	5.3
64.48495	1.7
65.03919	6.3
67.05510	92.6
67.63201	2.0
69.03436	11.6
69.07072	50.6
69.21057	3.3
69.21455	15.2
71.04989	8.0
73.02920	2.7
77.03909	1.9
79.05500	75.6
80.05806	2.2
81.03424	14.2
81.07064	92.7
82.07372	2.0
83.04981	15.5
83.08222	2.1
83.08630	24.9
85.02905	9.9
85.06544	3.8
91.03970	3.9
91.05488	100.0
92.05772	2.4
93.07048	81.0
93.07639	4.0
94.07369	2.4
95.04980	24.4
95.08615	57.9
96.08973	1.9
97.02894	7.1
97.06535	18.8
97.10175	11.7
98.21142	8.5
99.04440	2.4
99.08075	4.5
103.05417	4.3
105.04512	2.9
105.07037	77.7
106.07343	2.2
107.04959	12.7
107.08600	49.4
107.74371	1.6
109.02892	2.6
109.06514	8.1
109.10163	26.1
111.04408	4.1
111.08066	7.7
113.78000	1.8
115.05458	5.3
117.06232	2.5
117.07022	33.1
117.07796	1.2
119.08590	55.7
120.08889	2.0
121.06491	8.2
121.10155	26.9
123.08057	5.4
123.11710	6.9
125.09612	8.2
127.03944	4.1
128.06213	4.2
129.05469	3.1
129.07011	21.1
130.07777	2.9
131.08575	40.8
133.06493	3.0
133.10147	44.4
134.10501	2.4
135.08055	5.8
135.11714	24.9
137.09575	5.0
139.07584	1.7
139.77798	2.4
140.16602	1.7
141.07021	4.4
142.07756	3.3
143.08585	16.0
144.09322	1.8
145.10141	36.3
146.10468	2.0
147.08044	3.4
147.11687	27.3
149.09669	15.8
149.13266	10.0
151.11172	4.5
155.08575	9.9
157.10146	16.2
159.07999	2.4
159.11703	25.7
161.09627	2.8
161.13272	16.5
163.11208	14.1
167.08556	3.9
169.10138	11.5
171.11700	16.3
173.09702	2.7
173.13243	13.6
175.11174	5.0
177.12750	7.0
179.14261	2.2
181.10114	7.5
181.12146	2.1
183.11705	7.0
185.13297	10.4
187.11224	4.2
187.14804	6.4
187.74326	1.9
189.11243	5.4
189.12787	2.9
192.74815	1.8
193.12140	2.2
195.11807	3.6
195.13792	5.4
197.13243	7.6
199.14853	5.4
201.16396	2.0
203.14174	2.6
209.13283	5.5
211.14772	2.6
213.16385	2.2
215.17929	2.1
223.13263	5.4
227.12814	6.0
229.14273	3.3
229.19556	4.1
239.17915	6.5
241.19473	5.7
247.20639	2.6
254.14796	2.5
257.19040	10.8
259.20636	16.7
267.15884	2.8
269.17413	14.1
273.18579	4.1
275.17334	3.0
275.20105	37.9
276.20450	2.7
291.19653	5.4
293.21109	7.5
299.19986	2.1
310.40106	2.0
315.23209	4.2
333.24286	15.7
349.23718	24.9
365.23367	2.4
367.24475	6.7
463.30600	2.6
513.35791	10.8
527.37170	5.3
543.36646	4.0
551.41016	2.2
561.37598	4.3
607.43524	10.7
623.42682	2.7
625.44604	9.9
641.43475	3.2
659.44330	3.0
689.17523	2.3
763.38928	2.2
857.45880	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	4.3
65.03931	8.0
67.05505	98.0
69.03429	12.8
69.07070	51.1
70.10313	8.5
71.01350	3.1
71.04991	10.0
73.02897	2.6
73.06550	2.1
79.05494	89.3
81.03427	11.0
81.07058	100.0
82.07379	2.9
83.04977	17.7
83.08624	28.8
85.02885	8.4
85.06538	6.5
88.67740	1.8
90.12241	1.7
91.03953	3.7
91.05482	98.2
92.05800	2.7
93.07043	90.1
94.07341	2.2
95.04974	24.6
95.08609	50.4
97.02880	8.3
97.06526	20.3
97.10165	13.5
99.04419	2.8
99.08084	5.2
102.60268	2.0
103.05450	5.5
105.04510	3.8
105.07034	86.7
107.04958	11.5
107.08596	49.6
108.08932	2.7
109.06532	11.8
109.10158	25.7
111.04430	2.1
111.08092	8.8
113.09604	2.0
115.05436	6.1
116.06248	2.5
117.00797	1.7
117.07022	34.5
119.08585	64.6
121.06483	9.2
121.10147	33.4
123.08108	10.5
123.11704	7.6
125.09637	10.0
127.03870	5.8
128.06198	4.8
129.05487	4.6
129.07019	21.9
130.07794	2.1
131.08572	43.5
133.06473	3.2
133.10129	49.4
134.10439	2.5
135.08043	7.8
135.11693	23.0
135.38152	1.9
137.09613	7.9
139.11131	2.2
139.76398	2.0
141.06950	4.4
142.07759	2.7
143.08556	19.9
144.09305	1.8
145.04953	2.0
145.10138	32.1
147.08009	4.6
147.11707	30.3
149.09641	17.0
149.13280	12.8
150.33748	1.8
151.11154	6.1
154.07790	2.3
155.08569	10.2
157.10168	17.5
159.07930	2.3
159.11711	30.6
161.09645	4.0
161.13231	14.9
163.11208	14.5
165.12811	2.3
167.08533	2.8
169.10187	11.9
171.10355	3.1
171.11678	15.7
172.76077	2.2
173.09613	3.7
173.13261	15.4
175.11192	2.4
175.14754	4.7
177.12674	6.5
179.14287	4.7
181.10132	5.4
181.12303	2.3
182.10837	2.2
183.11740	13.0
185.13255	12.2
187.11249	3.1
187.14851	3.1
189.11171	6.2
189.12679	2.9
195.11693	3.9
195.13750	4.5
197.13237	8.4
199.11096	2.1
199.14807	5.5
201.12701	4.4
201.16400	2.2
205.12328	3.0
207.11806	2.0
207.13759	2.3
209.13274	3.3
211.14862	4.6
213.16406	2.6
223.13210	4.8
227.12834	8.7
227.17990	2.3
229.14308	3.8
229.19458	4.5
231.20982	1.9
237.16443	2.9
239.17929	5.4
241.19461	7.1
247.20584	2.1
253.14310	3.3
255.15773	4.2
257.19077	12.1
259.20599	20.3
269.17355	16.6
273.18649	3.3
275.17291	3.7
275.20065	42.8
276.20456	2.5
291.19531	4.3
293.17825	2.6
293.20969	7.9
299.20023	2.2
315.23236	2.0
320.49316	2.0
320.80887	1.9
331.22852	1.9
333.24280	17.4
349.23779	20.1
365.23322	2.6
366.23642	2.7
367.24847	11.3
368.47958	1.9
463.30499	2.3
513.35681	8.3
527.37079	5.6
543.37225	3.7
561.37231	2.1
607.43512	10.9
623.42596	3.1
625.44470	12.6
641.44208	3.7
659.45038	5.4
783.33008	2.0
856.58740	2.4
857.45483	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	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	3.3
67.05507	51.0
68.05847	1.2
69.03429	3.6
69.07069	27.1
70.90925	2.7
71.04987	3.4
79.05496	48.1
81.03407	5.3
81.07059	100.0
82.07381	1.2
83.04989	8.7
83.08620	15.7
85.02892	2.4
85.06536	4.0
91.05483	41.2
92.05824	1.1
93.07050	36.5
95.04977	10.2
95.08608	31.3
97.02888	1.9
97.06538	10.2
97.10172	10.4
99.08097	4.0
105.07033	38.6
107.04951	9.6
107.08594	27.3
109.06522	24.8
109.10169	13.1
111.08069	4.2
111.74281	1.1
115.05474	2.0
117.07021	14.3
119.08586	34.9
121.06498	5.8
121.10146	18.3
121.10934	1.7
123.08067	10.3
123.11717	8.3
125.08367	1.1
125.09618	6.1
128.06212	1.6
129.07019	4.7
131.08589	16.0
133.06500	1.8
133.10132	20.6
135.08055	4.9
135.11693	8.0
137.09622	4.2
137.53951	1.1
141.06973	2.2
143.08585	4.6
145.06438	1.2
145.10123	14.3
147.11694	24.5
149.09625	8.8
149.13269	8.3
149.36943	1.2
151.07414	1.5
151.11205	2.6
153.09100	1.4
155.08635	2.6
157.10135	6.7
159.11707	12.1
161.09656	1.7
161.13286	5.8
163.11209	7.8
163.14801	3.2
165.12840	5.1
169.10118	2.6
171.10283	1.3
171.11687	4.4
173.13306	4.2
175.11232	3.7
177.12761	3.4
179.14284	2.0
183.11717	3.6
185.09808	1.4
185.13272	2.2
187.11229	1.5
187.14795	1.7
189.11209	4.8
189.12772	1.4
193.12256	1.4
197.13306	2.1
199.14804	2.8
207.13887	1.2
209.02841	1.0
215.18097	1.5
219.17563	1.3
227.12746	6.9
229.19514	2.9
239.17934	3.8
247.20552	5.2
257.19034	7.5
259.20593	2.3
269.17453	1.4
275.20074	73.0
276.20422	3.2
291.19571	4.4
291.44711	1.1
292.19781	2.0
293.21124	18.0
331.22443	1.5
349.23737	54.7
350.24115	2.8
365.23428	1.8
367.24808	68.4
368.24948	2.2
380.96054	1.4
513.35828	1.4
543.37231	2.0
561.36243	1.7
585.42432	1.4
607.42786	2.3
623.43036	26.8
624.43005	1.7
625.44531	3.9
641.44116	35.8
642.44617	2.7
659.45245	34.7
660.45056	2.6
871.29620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.1
63.70470	2.6
65.03936	6.7
67.05508	99.7
69.03428	13.6
69.06730	3.5
69.07076	47.8
70.06588	3.0
70.10004	4.8
70.10364	8.6
71.04995	28.5
73.02930	3.1
73.06552	3.5
79.05496	93.3
81.03429	19.4
81.07061	100.0
83.04967	14.6
83.08609	19.0
85.02913	13.8
85.06566	3.3
91.05485	89.5
93.07050	88.0
95.04963	17.3
95.08610	57.8
95.09164	1.4
97.02894	7.0
97.06522	16.1
97.10156	5.9
99.08095	10.9
103.05489	2.9
105.04505	5.1
105.07037	94.3
107.04974	13.6
107.08601	53.1
109.02898	2.9
109.06525	10.8
109.10155	28.8
111.04472	4.9
111.08083	8.7
113.09701	2.8
115.05450	5.9
117.07025	40.9
119.08585	58.8
121.06511	7.5
121.10157	33.3
123.08119	4.9
123.11689	5.9
125.09626	7.3
127.03918	4.3
128.06224	11.3
129.05513	3.2
129.06998	21.6
130.08626	3.4
131.08575	45.5
133.06509	2.8
133.10147	46.0
135.08101	7.4
135.11702	18.1
137.09598	5.3
141.07004	8.8
142.07771	5.8
143.08562	26.3
145.06537	2.7
145.10149	34.9
147.08122	2.7
147.11687	32.8
149.09612	15.2
149.13300	9.7
151.11206	7.0
155.08588	15.2
157.10152	22.8
159.11705	28.8
161.09660	3.0
161.13290	17.6
163.11171	10.6
165.07008	3.0
165.12776	4.2
167.08508	6.1
168.09352	3.2
169.10124	19.5
171.11674	21.6
173.13297	15.6
175.11244	6.6
175.14873	4.8
179.14227	2.8
181.10130	7.0
183.11671	16.0
185.09589	3.3
185.13301	10.5
187.14833	8.5
193.10164	3.3
195.11699	10.3
195.13658	3.3
197.13361	11.7
199.14864	8.2
201.12929	2.8
201.16389	4.1
209.13263	7.0
211.14845	4.4
213.16396	5.9
221.13168	6.9
223.14720	4.2
225.16473	4.0
241.19510	10.9
245.19330	3.0
253.14447	4.1
257.18988	9.9
259.20621	23.0
269.17508	7.9
269.40015	2.7
273.18616	5.2
275.20120	23.6
289.21570	2.9
306.68423	2.4
315.23199	5.8
333.24295	29.6
335.26035	3.5
339.23035	3.2
349.23761	17.7
381.26517	4.4
417.31534	3.6
421.31155	4.9
435.32690	7.1
487.34375	4.3
509.36203	3.9
513.35815	28.4
515.38318	5.4
522.86237	3.2
527.37280	38.2
528.37836	3.0
543.36365	2.6
556.70850	3.1
607.43640	30.3
625.44958	23.9
626.69495	3.0
639.45947	7.1
671.41443	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	854.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	1.6
64.06583	0.9
65.03937	2.2
66.29477	0.9
67.05508	42.0
69.03429	11.3
69.07072	27.9
69.86768	0.9
70.90762	2.3
70.94869	1.0
71.04994	2.3
74.61141	1.2
79.05496	40.9
80.05807	2.1
81.03429	7.7
81.07059	40.5
83.04996	6.8
83.08622	12.4
85.02909	3.0
85.06535	2.3
91.05482	37.8
93.07050	36.6
93.07639	1.8
95.04971	10.1
95.08612	21.1
97.02895	9.4
97.06524	6.0
97.10185	13.5
99.04465	1.6
99.08080	1.3
103.05481	1.3
104.91918	1.0
105.03364	1.3
105.04502	1.6
105.07034	33.6
107.04961	8.8
107.08599	21.7
109.02865	1.5
109.06510	4.3
109.10159	10.9
110.10450	1.2
111.04429	1.2
111.08057	3.5
115.05509	1.5
117.07024	15.7
119.04929	2.1
119.08585	25.6
121.06499	5.7
121.10139	10.2
123.08121	4.9
123.11715	1.8
125.09638	11.2
126.09504	0.9
127.03922	2.2
128.06227	1.6
129.05507	1.9
129.07013	9.8
131.08565	19.1
133.06528	4.9
133.10135	18.1
134.07246	1.6
135.08061	5.5
135.11687	7.3
136.06155	1.1
137.09647	2.2
139.11206	1.4
141.06985	1.7
142.07777	1.6
143.08566	6.4
145.06491	1.5
145.10138	14.4
147.08031	4.8
147.11690	12.2
147.65634	1.0
149.09628	4.9
149.13257	5.9
151.11195	3.2
153.09077	1.2
155.08514	1.5
156.09395	1.2
157.10129	5.5
159.08081	1.6
159.11707	10.4
161.09636	3.2
161.13272	5.8
163.11183	3.6
165.09148	1.9
169.10120	2.8
170.10951	1.3
171.11647	5.5
173.04613	1.2
173.11913	1.3
173.13260	5.1
175.11203	3.1
175.14836	3.5
177.12772	2.9
181.07036	0.9
183.11734	1.9
185.13272	4.0
189.11237	4.7
189.12781	2.1
193.12148	1.7
195.13821	1.8
197.13275	1.9
199.14848	1.1
201.16414	1.2
205.12241	2.2
209.13229	1.4
215.17918	1.1
223.13284	18.2
227.12762	8.0
227.17798	1.4
239.17924	2.1
241.19540	4.7
245.19125	1.5
249.14886	3.2
253.14439	4.5
254.14844	1.7
255.17311	1.5
257.19046	4.1
259.20648	12.0
269.17471	5.3
273.18457	10.2
274.18942	1.2
275.20123	7.7
291.19556	100.0
292.19861	4.6
315.23145	2.7
331.22534	1.5
333.24283	16.4
349.23712	5.5
365.23248	27.8
366.23566	2.3
400.25955	1.1
476.73480	1.2
525.35718	2.2
543.36761	2.6
549.39087	1.2
559.36316	13.3
623.43207	11.6
639.42517	2.8
657.42853	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.5
65.03935	7.4
67.05507	87.0
68.05875	1.6
69.03442	9.1
69.07072	31.1
70.11460	5.0
71.05003	9.2
73.02919	1.5
77.03928	2.1
79.05497	72.3
81.03423	10.8
81.07056	99.0
83.04988	13.9
83.08620	12.6
85.02903	4.6
85.06555	7.7
91.05486	100.0
93.07047	78.2
95.04982	17.5
95.08614	43.5
97.02889	3.8
97.06533	13.8
97.10141	3.1
99.04449	3.5
99.08099	4.4
103.05479	4.0
105.04524	2.1
105.07035	94.8
107.04964	14.8
107.08600	50.2
109.06524	12.4
109.10163	54.3
111.04497	2.6
111.08085	6.0
113.05991	2.5
115.05447	4.4
116.06271	1.7
117.07016	26.4
119.08586	46.0
121.06506	11.8
121.10156	23.0
123.08083	7.0
123.11706	12.8
125.06022	2.0
125.09616	4.5
127.03883	3.5
127.07542	3.3
128.06226	5.2
129.05510	2.9
129.06999	17.4
130.08649	2.4
131.08562	31.5
133.06496	5.8
133.10136	94.3
135.08084	8.0
135.11702	16.2
137.09598	5.9
137.13248	1.9
141.07001	3.2
142.07803	3.9
143.08563	13.3
144.09302	1.6
145.06526	1.5
145.10112	22.0
147.08055	5.3
147.11694	24.5
149.09633	12.9
149.13283	9.8
151.11182	39.3
155.08525	5.4
156.09393	1.6
157.10165	12.7
159.08067	3.6
159.11693	20.1
161.09612	10.1
161.13263	11.8
163.11182	7.5
163.14786	1.5
167.08551	1.6
169.10097	4.9
169.12265	7.0
171.11691	13.7
173.04449	1.6
173.09570	1.5
173.13286	8.9
175.11270	3.7
175.14818	4.6
177.09222	1.6
177.12766	3.5
179.10638	3.7
181.10046	1.5
183.11761	3.3
185.09543	2.0
185.13278	8.5
185.14697	1.3
185.62088	1.4
187.11279	3.3
187.14746	3.6
189.12762	2.4
193.12207	1.6
195.11893	3.0
195.13840	5.0
197.11633	1.8
197.13330	3.0
199.14861	3.7
201.12848	2.1
201.16393	1.8
207.13734	2.3
209.13347	2.3
213.16418	2.4
215.12689	2.1
227.18013	2.7
231.21048	3.2
239.17952	2.6
241.19496	11.6
245.19083	4.3
253.14349	82.4
254.14920	2.2
257.18991	5.4
259.20581	29.0
263.20050	3.6
269.17490	6.7
271.15421	3.4
273.18500	20.4
275.20081	14.5
291.19504	13.7
313.21646	2.3
315.23181	3.0
325.21417	1.8
328.72650	1.6
331.22205	1.8
333.24265	26.1
334.24399	1.6
335.26184	2.0
347.22134	4.8
349.23669	5.0
365.23251	20.2
419.29236	1.8
437.30408	1.8
447.27182	4.3
465.28558	2.5
501.35873	2.3
511.34109	6.8
529.35242	12.8
531.38470	2.2
545.35010	1.9
559.36475	9.6
605.41327	2.7
607.43445	2.2
623.42969	17.1
625.44696	1.9
836.54242	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	2.3
65.03942	3.5
67.05510	52.3
69.03435	10.5
69.07076	33.7
70.89221	0.9
71.05005	3.4
71.15748	2.1
77.03924	1.1
77.73426	0.9
79.05499	46.6
81.03426	9.3
81.07062	48.2
83.04984	8.9
83.08618	12.9
85.02910	4.1
85.06548	3.5
91.05490	38.6
93.07050	37.5
95.01336	1.2
95.04981	11.4
95.08610	21.5
97.02884	9.0
97.06540	10.4
97.10181	13.9
99.04453	1.3
103.05496	1.8
105.04519	1.7
105.07039	30.8
107.04967	12.1
107.08604	27.8
109.02898	2.2
109.06548	7.0
109.10168	11.3
111.08054	5.0
115.05502	2.2
117.07036	15.9
119.05006	1.4
119.08591	22.1
119.09367	1.7
121.06509	6.4
121.10156	11.7
123.04465	1.1
123.08088	6.0
123.11749	2.0
125.09645	10.5
127.03896	2.4
128.06224	2.6
129.07022	5.3
131.08563	16.6
133.06508	4.5
133.10130	20.4
134.07321	1.3
135.08092	6.2
135.11723	8.9
137.09637	3.5
141.07053	1.6
143.08630	5.1
145.10164	12.2
147.08038	6.1
147.11720	7.6
149.09625	8.9
149.13274	8.2
151.11208	2.3
153.09058	2.0
155.08545	1.5
157.10155	4.8
159.08113	1.8
159.09682	1.1
159.11710	11.0
161.09666	3.0
161.13229	3.2
163.11234	6.2
165.12712	1.7
169.10089	1.4
171.10309	2.4
171.11734	4.1
173.13303	3.6
175.11237	2.8
177.12770	4.2
179.14388	2.5
183.11719	1.2
187.11226	1.2
189.11230	5.2
193.12178	1.2
195.11964	1.1
195.13860	3.0
199.11104	1.6
205.12234	2.4
222.52771	1.1
223.13306	16.7
223.15407	1.3
227.12802	11.2
239.17937	2.7
245.19049	1.8
249.14954	3.3
253.14304	6.4
255.15948	3.7
257.19003	3.5
263.20099	1.5
265.90378	1.1
267.16013	3.5
269.17529	17.7
273.18497	15.9
275.20093	21.6
291.19559	100.0
292.19919	3.1
293.21030	3.0
297.16721	1.2
309.20660	1.7
347.22171	3.1
349.23773	15.0
365.23248	41.9
367.24805	3.3
423.23471	1.2
461.28809	1.6
541.34943	2.0
545.34753	12.1
559.36346	41.0
560.36560	2.3
577.37091	1.2
621.41199	2.5
639.42584	19.7
657.43463	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	6.5
67.05511	85.7
69.03431	14.9
69.07075	38.5
69.81886	6.9
71.04996	8.8
71.40640	2.4
73.02921	4.6
77.03925	2.3
79.05499	71.8
81.03434	17.6
81.07062	100.0
83.04993	18.3
83.08626	19.0
85.02911	6.5
85.06546	7.2
91.05491	80.2
92.05849	3.1
93.07054	75.4
95.04968	17.3
95.08608	35.7
97.02900	9.1
97.06540	16.8
97.10194	11.4
98.21538	2.8
99.04504	2.2
103.05486	2.6
104.33839	1.9
105.07039	58.2
107.04961	16.1
107.08595	49.4
109.06510	12.4
109.09467	3.6
109.10168	43.3
111.04465	2.0
111.08076	5.2
117.07020	21.7
119.08596	32.9
121.06528	10.9
121.10165	18.2
123.08087	9.3
123.11712	5.9
125.09642	9.7
127.03935	3.5
129.07024	11.3
130.08652	2.0
131.08582	26.0
133.06505	6.9
133.10139	54.8
135.08104	10.3
135.11664	13.8
137.09688	4.7
142.07747	3.0
143.08580	7.1
144.09285	2.0
145.06473	3.5
145.10127	20.9
147.08064	5.9
147.11665	12.8
149.09630	17.2
149.13284	8.1
151.11200	18.1
155.08571	5.6
157.10091	10.8
159.11714	14.3
161.09637	8.4
161.13245	4.4
163.11189	12.6
165.12642	2.3
169.10107	5.5
169.12279	4.4
171.10420	2.6
171.11652	10.4
173.04533	2.3
173.09666	3.2
173.13242	5.4
175.11299	3.7
177.12819	4.1
179.10600	2.2
179.14301	4.4
183.11699	2.8
185.13298	3.1
187.14758	2.4
189.11218	3.8
189.12793	3.3
193.12267	4.4
195.13765	5.7
195.67580	2.2
197.13332	2.5
205.12247	4.0
215.12717	4.8
223.13284	11.7
227.12802	6.3
237.16316	2.5
239.17909	3.5
245.19038	6.5
247.20628	2.2
249.14854	3.0
251.16391	2.2
253.14357	41.5
255.15898	6.2
257.18976	8.1
267.15875	2.8
269.17499	24.0
273.18524	32.7
275.20093	30.0
289.18204	2.3
291.19553	79.8
292.19925	3.7
309.20502	3.7
333.24240	2.5
339.06348	2.2
347.22198	10.6
349.23718	14.6
365.23257	41.4
367.24722	5.0
447.27457	3.0
447.77972	2.2
465.28357	7.0
475.79065	2.2
527.33795	4.8
541.35529	4.0
545.34869	17.6
559.36407	57.7
560.36847	2.8
621.40973	3.6
639.42297	16.5
657.42963	5.1
707.42328	3.3
854.45807	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	852.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97185	0.7
63.16653	0.6
65.03939	1.9
67.05510	23.9
69.03100	0.7
69.03436	9.0
69.07071	26.3
71.04994	1.6
71.52040	0.9
77.03899	0.8
79.05495	21.5
81.03425	5.2
81.06588	1.1
81.07065	20.8
83.04986	6.0
83.08621	8.0
85.02899	1.5
85.06541	1.5
91.05485	19.0
93.07050	18.0
95.01314	1.3
95.04974	8.8
95.08617	11.2
97.02896	8.6
97.06525	4.4
97.10174	11.3
105.04507	1.1
105.07037	14.7
107.04970	9.1
107.08604	12.3
108.05732	0.7
109.02856	0.7
109.06518	4.0
109.09466	0.8
109.10153	5.9
111.04437	1.5
111.08081	2.3
115.05433	1.1
116.06254	0.8
117.07023	8.0
119.04951	1.8
119.08585	12.7
120.05708	1.0
121.06502	5.3
121.10137	5.5
123.04492	0.6
123.08078	4.0
125.05986	0.7
125.09630	7.5
128.06247	1.1
129.07005	4.9
131.08565	7.8
133.06490	4.4
133.10143	6.8
133.20773	0.6
134.07295	0.9
135.04366	0.7
135.08054	4.9
135.11700	2.6
137.09605	1.9
141.06973	1.6
142.07756	1.3
143.08586	4.5
145.06535	1.6
145.10123	6.5
147.08069	7.0
147.11633	3.4
149.05983	0.6
149.09639	2.3
149.13232	2.8
151.11124	0.9
153.09178	1.2
155.08574	1.0
157.10162	3.0
159.08093	2.2
159.11690	4.6
159.22757	0.6
161.09630	2.4
161.13243	1.4
162.10362	0.8
163.11171	2.5
165.09071	1.0
169.10159	1.1
171.10313	0.8
171.11710	2.2
173.09599	1.5
173.11836	0.8
173.13239	1.2
175.11153	3.2
175.14716	0.8
177.12732	1.8
181.10115	0.7
187.11218	0.8
187.14822	0.6
189.11253	4.1
189.12703	0.8
195.13824	1.5
197.13255	1.1
199.11084	0.6
201.12912	0.7
205.12209	1.7
205.15904	0.8
209.13432	0.6
223.13310	16.6
227.12749	5.3
233.15302	1.6
245.19092	1.0
249.14940	4.9
255.17416	1.3
261.18527	1.3
267.15869	1.0
269.17374	1.5
271.17004	1.2
273.18536	15.1
275.20160	2.2
289.17999	4.5
291.19556	100.0
292.19821	3.1
293.01318	0.7
333.24249	0.8
347.22122	3.1
349.23599	1.6
363.21689	2.1
365.23239	48.0
366.23679	1.4
517.31311	0.7
535.32556	1.3
557.34613	4.8
575.35828	1.5
587.35352	1.0
621.40900	2.8
623.43024	1.0
637.40887	2.6
639.42090	0.7
655.42090	46.2
656.42102	2.4
673.42700	0.7
758.61017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97185	0.7
63.16653	0.6
65.03939	1.9
67.05510	23.9
69.03100	0.7
69.03436	9.0
69.07071	26.3
71.04994	1.6
71.52040	0.9
77.03899	0.8
79.05495	21.5
81.03425	5.2
81.06588	1.1
81.07065	20.8
83.04986	6.0
83.08621	8.0
85.02899	1.5
85.06541	1.5
91.05485	19.0
93.07050	18.0
95.01314	1.3
95.04974	8.8
95.08617	11.2
97.02896	8.6
97.06525	4.4
97.10174	11.3
105.04507	1.1
105.07037	14.7
107.04970	9.1
107.08604	12.3
108.05732	0.7
109.02856	0.7
109.06518	4.0
109.09466	0.8
109.10153	5.9
111.04437	1.5
111.08081	2.3
115.05433	1.1
116.06254	0.8
117.07023	8.0
119.04951	1.8
119.08585	12.7
120.05708	1.0
121.06502	5.3
121.10137	5.5
123.04492	0.6
123.08078	4.0
125.05986	0.7
125.09630	7.5
128.06247	1.1
129.07005	4.9
131.08565	7.8
133.06490	4.4
133.10143	6.8
133.20773	0.6
134.07295	0.9
135.04366	0.7
135.08054	4.9
135.11700	2.6
137.09605	1.9
141.06973	1.6
142.07756	1.3
143.08586	4.5
145.06535	1.6
145.10123	6.5
147.08069	7.0
147.11633	3.4
149.05983	0.6
149.09639	2.3
149.13232	2.8
151.11124	0.9
153.09178	1.2
155.08574	1.0
157.10162	3.0
159.08093	2.2
159.11690	4.6
159.22757	0.6
161.09630	2.4
161.13243	1.4
162.10362	0.8
163.11171	2.5
165.09071	1.0
169.10159	1.1
171.10313	0.8
171.11710	2.2
173.09599	1.5
173.11836	0.8
173.13239	1.2
175.11153	3.2
175.14716	0.8
177.12732	1.8
181.10115	0.7
187.11218	0.8
187.14822	0.6
189.11253	4.1
189.12703	0.8
195.13824	1.5
197.13255	1.1
199.11084	0.6
201.12912	0.7
205.12209	1.7
205.15904	0.8
209.13432	0.6
223.13310	16.6
227.12749	5.3
233.15302	1.6
245.19092	1.0
249.14940	4.9
255.17416	1.3
261.18527	1.3
267.15869	1.0
269.17374	1.5
271.17004	1.2
273.18536	15.1
275.20160	2.2
289.17999	4.5
291.19556	100.0
292.19821	3.1
293.01318	0.7
333.24249	0.8
347.22122	3.1
349.23599	1.6
363.21689	2.1
365.23239	48.0
366.23679	1.4
517.31311	0.7
535.32556	1.3
557.34613	4.8
575.35828	1.5
587.35352	1.0
621.40900	2.8
623.43024	1.0
637.40887	2.6
639.42090	0.7
655.42090	46.2
656.42102	2.4
673.42700	0.7
758.61017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	0.9
65.03928	1.8
67.05507	25.8
69.03436	7.5
69.07074	25.8
71.04985	2.1
71.51610	0.7
79.05499	22.6
81.03420	6.5
81.07061	20.7
83.04994	4.5
83.08629	7.9
85.02914	1.2
85.06568	1.2
91.05489	19.0
91.06027	1.7
93.07054	16.1
95.04962	8.4
95.08605	9.2
97.02896	8.0
97.06522	4.5
97.10180	9.6
100.97381	0.7
103.05459	1.2
105.07039	14.2
107.04954	6.7
107.08607	12.4
108.50293	0.9
109.02853	1.9
109.06519	2.5
109.10169	8.8
109.10854	1.2
111.04449	1.1
111.08079	2.4
115.05454	1.0
117.07030	7.6
119.04950	1.9
119.08589	12.2
121.06522	3.6
121.10120	4.5
123.04433	1.5
123.08081	3.8
123.11690	1.2
125.09650	7.4
128.06215	1.3
129.07014	2.9
131.08551	7.1
133.06500	3.5
133.10133	6.1
134.07249	1.0
135.08075	4.0
135.11708	2.3
137.05992	1.0
137.09671	1.2
143.08574	2.7
145.06517	1.4
145.10120	5.5
147.04356	0.9
147.08086	5.0
147.11665	4.1
149.09650	3.3
149.13275	1.5
151.11218	1.8
153.09114	1.0
156.13786	0.7
157.10126	3.6
159.08096	1.2
159.11728	3.5
161.09644	3.3
162.10370	1.1
163.11249	1.7
165.09125	2.6
169.10159	1.6
169.12288	1.3
171.11688	1.8
173.09601	1.4
173.11850	1.0
173.13284	1.5
175.11218	2.7
177.12756	1.5
179.10739	1.1
185.13280	1.3
189.11267	4.4
193.12334	1.1
195.13828	0.9
205.12283	2.2
223.13315	14.2
227.12830	5.1
227.17982	0.8
245.19057	1.5
249.14864	3.9
253.14281	3.9
255.17383	1.4
267.16058	1.4
273.18484	18.1
273.21271	1.4
275.20102	1.9
291.19559	100.0
292.19952	1.8
293.45325	0.7
309.20609	1.1
320.36633	0.8
347.22073	3.5
349.23694	2.4
363.21286	1.0
365.23242	42.1
557.34668	1.9
575.35333	1.0
637.41223	3.6
655.42108	39.3
656.42255	1.5
852.49347	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.7
67.05509	46.8
69.03416	8.9
69.07068	27.5
71.04994	4.2
71.51223	1.6
79.05495	37.4
81.03423	8.8
81.07063	47.0
83.04988	8.9
83.08627	8.3
84.08141	24.8
85.02905	1.9
85.06540	4.2
91.05484	48.2
92.81726	1.1
93.07050	35.7
95.04988	10.0
95.08616	20.2
97.02896	7.9
97.06524	5.3
97.10181	9.8
99.04458	1.8
101.06028	1.3
105.07038	41.1
107.04967	8.7
107.08603	31.5
109.02897	1.8
109.06516	4.9
109.10159	33.2
111.04446	1.3
111.08089	3.1
112.18305	1.1
113.05969	1.4
114.81184	1.0
115.05404	2.5
117.07008	8.6
119.08580	18.2
121.06520	9.8
121.10171	7.9
123.08064	6.1
123.11694	5.0
125.09647	7.4
128.06230	1.9
129.06985	5.5
130.07718	2.6
130.08649	34.8
131.08556	14.4
132.05684	1.5
133.06502	5.0
133.10133	38.8
135.08099	7.4
135.11687	4.3
136.06218	1.3
137.09651	3.4
143.08530	6.0
145.06482	2.0
145.10149	8.5
147.08037	6.6
147.11696	5.4
149.09654	5.5
149.13277	3.3
151.11191	19.5
154.07858	1.3
155.08626	1.7
157.10126	4.8
159.08035	2.6
159.11726	4.8
161.09601	5.1
161.13229	2.2
162.10313	1.2
163.07608	1.9
163.11195	1.2
165.09087	2.0
169.12285	3.7
171.11635	2.4
173.13243	1.6
175.11201	3.3
177.09123	1.1
177.12817	1.5
181.12199	1.1
181.59053	1.4
183.11707	1.6
185.13297	2.8
189.11174	2.8
195.13760	1.6
203.14314	1.1
215.12880	2.7
223.13301	12.7
227.12770	3.2
227.18037	1.5
229.14427	1.2
245.19019	5.1
249.14885	3.7
251.12854	2.5
253.14362	74.8
255.17491	1.7
259.20557	3.2
263.20108	3.6
273.18494	32.4
291.19562	100.0
292.19843	3.1
333.24075	2.3
347.22159	9.0
365.23239	45.3
366.23712	2.6
423.23651	1.6
543.33136	4.9
559.32159	1.5
561.34229	19.2
623.42413	2.0
637.41272	7.7
655.42145	24.4
656.42328	2.6
673.44562	1.2
775.48950	1.3
852.51178	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.7
67.05509	46.8
69.03416	8.9
69.07068	27.5
71.04994	4.2
71.51223	1.6
79.05495	37.4
81.03423	8.8
81.07063	47.0
83.04988	8.9
83.08627	8.3
84.08141	24.8
85.02905	1.9
85.06540	4.2
91.05484	48.2
92.81726	1.1
93.07050	35.7
95.04988	10.0
95.08616	20.2
97.02896	7.9
97.06524	5.3
97.10181	9.8
99.04458	1.8
101.06028	1.3
105.07038	41.1
107.04967	8.7
107.08603	31.5
109.02897	1.8
109.06516	4.9
109.10159	33.2
111.04446	1.3
111.08089	3.1
112.18305	1.1
113.05969	1.4
114.81184	1.0
115.05404	2.5
117.07008	8.6
119.08580	18.2
121.06520	9.8
121.10171	7.9
123.08064	6.1
123.11694	5.0
125.09647	7.4
128.06230	1.9
129.06985	5.5
130.07718	2.6
130.08649	34.8
131.08556	14.4
132.05684	1.5
133.06502	5.0
133.10133	38.8
135.08099	7.4
135.11687	4.3
136.06218	1.3
137.09651	3.4
143.08530	6.0
145.06482	2.0
145.10149	8.5
147.08037	6.6
147.11696	5.4
149.09654	5.5
149.13277	3.3
151.11191	19.5
154.07858	1.3
155.08626	1.7
157.10126	4.8
159.08035	2.6
159.11726	4.8
161.09601	5.1
161.13229	2.2
162.10313	1.2
163.07608	1.9
163.11195	1.2
165.09087	2.0
169.12285	3.7
171.11635	2.4
173.13243	1.6
175.11201	3.3
177.09123	1.1
177.12817	1.5
181.12199	1.1
181.59053	1.4
183.11707	1.6
185.13297	2.8
189.11174	2.8
195.13760	1.6
203.14314	1.1
215.12880	2.7
223.13301	12.7
227.12770	3.2
227.18037	1.5
229.14427	1.2
245.19019	5.1
249.14885	3.7
251.12854	2.5
253.14362	74.8
255.17491	1.7
259.20557	3.2
263.20108	3.6
273.18494	32.4
291.19562	100.0
292.19843	3.1
333.24075	2.3
347.22159	9.0
365.23239	45.3
366.23712	2.6
423.23651	1.6
543.33136	4.9
559.32159	1.5
561.34229	19.2
623.42413	2.0
637.41272	7.7
655.42145	24.4
656.42328	2.6
673.44562	1.2
775.48950	1.3
852.51178	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	15.2
65.03909	3.2
67.05183	2.7
67.05511	43.3
69.03435	36.0
69.07081	16.8
71.04981	5.8
71.49552	2.3
71.51342	3.3
71.51711	2.5
73.02924	10.0
79.05498	32.0
81.03425	48.6
81.07059	40.3
83.04996	11.0
83.08616	10.3
85.02906	32.3
91.03942	7.7
91.05492	33.2
93.06488	2.4
93.07046	30.3
95.04984	9.3
95.08609	36.7
97.02904	36.3
97.06517	5.7
97.10183	4.4
98.21069	2.1
99.04471	10.1
101.02353	2.7
105.04519	2.5
105.07030	35.8
107.04968	3.2
107.08605	20.7
109.02876	8.7
109.06496	2.7
109.10155	11.0
111.04367	3.2
111.08057	3.5
117.07030	14.9
119.08601	20.7
121.06496	3.5
121.10143	10.3
123.04430	2.5
123.08021	3.3
123.11662	4.3
127.03928	14.6
127.99484	2.0
128.06232	2.9
128.76706	2.3
129.05484	4.1
129.07001	15.9
131.08591	20.5
133.06421	3.6
133.10167	13.9
135.11687	8.0
139.03877	2.5
141.07040	3.5
142.07776	4.1
143.08562	16.3
145.04945	4.4
145.10146	16.6
147.11728	12.4
149.13261	5.8
150.32410	2.4
151.11195	2.2
155.08612	12.3
157.10144	17.2
159.11705	15.7
161.13239	2.9
165.12675	2.7
167.08530	5.2
169.10150	13.7
171.11690	9.6
173.04488	23.8
173.13264	8.6
181.10143	5.0
183.11678	11.3
185.13304	7.8
187.14850	4.3
193.10049	2.6
195.11734	7.0
197.13284	7.8
199.14835	8.3
209.13260	6.5
211.14912	4.5
213.16486	3.1
221.13281	4.0
225.16408	3.6
259.20660	3.3
263.17862	2.8
267.15900	2.5
269.17508	2.5
275.20062	3.1
301.25220	2.3
335.26038	4.1
407.33292	2.9
425.34253	3.8
435.32477	9.7
453.33643	8.6
471.34579	8.8
499.38095	3.0
501.35367	2.8
509.36179	6.3
517.38995	13.0
525.35455	2.5
527.37390	100.0
528.37561	6.5
529.39215	4.7
539.37769	2.8
545.38281	18.5
569.38269	4.3
635.39264	4.1
653.39966	7.4
671.41113	9.6
689.42725	26.9
690.42200	4.7
851.47961	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	850.6097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	10.6
67.05516	6.7
69.03440	1.6
69.07070	2.9
70.06590	1.4
70.56578	3.5
71.04981	1.2
71.08635	40.5
73.02908	1.8
73.06541	5.8
76.54577	0.9
79.05488	2.5
81.03411	1.2
81.07084	4.7
82.07343	1.2
83.04969	1.3
83.08611	1.5
85.02864	1.2
85.06497	1.1
85.10191	37.4
87.04473	21.3
89.06035	100.0
89.75288	0.9
90.06331	1.2
91.05482	3.4
93.07047	2.2
95.04948	1.3
95.08619	3.6
97.02879	1.3
98.21071	1.7
99.11723	2.8
103.07591	7.3
105.07030	3.4
105.97729	1.0
107.04969	1.5
107.07098	2.5
107.08557	1.7
109.06519	1.4
109.10141	3.4
110.10542	1.3
113.05990	1.8
116.07103	1.7
117.06957	1.4
117.09125	3.9
119.08575	1.9
121.06538	1.0
130.08658	2.4
131.07045	4.6
131.08530	1.3
132.95674	0.9
133.08609	75.2
139.03896	2.0
141.16368	2.9
147.07932	0.9
149.02319	1.4
173.11711	1.8
175.09697	4.9
177.11241	27.9
181.49414	0.9
183.54764	0.9
193.05032	0.9
199.20566	4.3
200.97771	1.0
219.12222	2.0
221.13878	5.5
223.15526	1.2
229.14381	2.9
230.14635	1.7
239.14818	1.3
243.23250	3.2
256.26340	2.6
271.17010	1.0
283.17371	2.2
289.18027	1.7
291.19620	2.1
298.73914	0.9
335.25824	1.6
336.26358	1.7
363.21606	1.8
390.27774	1.1
491.36295	2.7
534.27850	1.1
635.38293	2.4
653.40137	3.8
798.54535	1.3
850.60767	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88985	0.4
60.08160	0.6
61.02929	4.0
65.03957	0.5
67.05501	4.7
69.03436	2.1
69.07065	1.5
71.04990	0.8
73.02934	3.3
79.05498	5.0
81.03419	1.5
81.07068	3.5
83.04993	0.5
83.08619	0.7
85.02915	4.0
85.94008	0.4
86.09705	3.1
91.03973	2.0
91.05482	5.2
93.07045	4.5
95.04980	0.6
95.08619	2.6
97.02895	3.4
98.21522	1.3
98.98483	0.7
99.04495	0.5
101.02390	1.7
103.03928	0.5
104.10743	0.6
105.07021	4.5
107.08578	2.5
109.02896	0.7
109.10194	0.6
117.07017	1.3
119.08595	2.6
121.10184	1.7
125.00042	2.5
127.03918	1.4
129.06984	0.7
131.08601	1.3
133.10139	1.8
135.11731	0.7
136.06198	1.7
136.54918	0.4
143.08545	0.6
145.10181	1.3
147.11711	1.8
147.12817	0.4
159.11729	1.0
161.13211	0.9
184.07339	11.2
185.07732	1.4
203.05281	0.6
221.01753	0.5
232.15565	0.4
243.08371	3.3
254.77835	0.5
301.08984	1.6
315.10748	0.8
333.20419	3.3
465.21286	3.3
495.22415	0.7
497.58395	0.5
525.23303	0.7
535.28864	8.4
551.28326	6.2
623.30457	0.6
683.46100	0.9
704.51404	0.6
759.43188	0.9
845.50208	100.0
846.50726	5.4
865.82947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	0.4
61.02933	4.6
66.92253	0.4
67.05511	6.3
67.05846	0.7
69.03428	3.5
69.07078	2.3
71.01359	0.4
71.04991	0.4
71.08620	0.5
73.02927	4.1
79.05497	4.4
81.03425	1.6
81.07061	5.9
83.04990	0.6
83.08621	0.6
85.02911	5.3
87.04491	0.8
91.03957	3.2
91.05491	2.4
93.07053	4.8
95.04984	0.6
95.08617	3.9
97.02897	4.7
97.06562	0.5
97.10175	1.0
98.20730	0.7
99.04455	0.7
101.02407	2.0
103.03967	0.6
105.04461	0.4
105.07043	1.7
107.08619	2.4
109.02912	0.9
109.06516	0.4
109.10172	2.5
113.47755	0.3
117.07018	0.8
119.08606	1.8
121.10182	1.5
127.03960	1.1
131.08588	1.1
133.10156	0.9
135.11761	1.0
145.10178	0.6
147.11725	0.6
149.13307	0.7
163.11372	0.3
173.13379	0.6
177.39832	0.4
185.04295	0.5
187.52036	0.5
199.24484	0.3
203.05237	0.4
243.08400	2.3
291.10703	0.4
335.25925	0.8
342.57974	0.3
351.21472	2.9
499.21558	0.4
519.29315	6.4
530.63446	0.4
548.67639	0.4
569.29272	3.0
668.48999	0.5
847.51758	100.0
848.52185	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	845.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02941	4.3
61.03205	0.6
61.03318	0.5
67.05503	6.4
69.03436	2.6
69.07074	2.4
71.51542	1.1
73.02925	3.3
73.03272	0.6
79.05497	5.4
80.05856	0.5
81.03424	1.6
81.07070	5.1
83.05001	1.0
83.08624	1.5
85.02914	4.4
86.09708	2.0
91.03945	1.8
91.05492	4.5
93.07053	4.9
95.04993	0.9
95.08609	2.8
97.02892	5.1
97.10179	4.0
99.04485	0.6
101.02408	0.9
105.07036	2.9
106.92213	0.5
107.08591	3.0
109.02895	0.8
109.06601	0.7
109.10152	1.7
112.33003	0.6
113.07587	0.6
117.07013	1.2
119.08598	1.8
121.06529	1.1
121.10165	1.2
123.08115	0.7
125.00033	1.4
125.09658	3.9
127.03915	1.0
131.08623	1.1
133.10165	1.6
136.06190	29.5
137.06667	3.4
139.03899	1.0
149.15404	0.6
150.41985	0.6
153.85933	0.5
163.03944	0.6
171.10355	0.7
184.07344	6.4
185.04295	0.7
189.11261	0.8
201.03821	0.8
219.75500	0.6
227.87521	0.7
243.08371	2.8
301.09088	1.9
313.27579	0.8
315.10535	0.7
330.19281	2.8
331.19650	1.6
333.20404	4.4
357.15228	0.6
389.23026	0.8
397.91324	0.7
465.21191	1.2
481.20685	0.8
525.23108	0.8
535.28503	4.4
551.28430	9.0
623.30255	1.2
682.44989	2.7
683.45685	13.5
774.75037	0.7
845.50244	100.0
846.50806	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	845.502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.9
65.03936	0.7
67.05507	3.8
69.03434	2.7
69.07069	2.3
71.01353	0.4
71.04996	0.3
73.02927	2.7
79.05507	4.8
81.03413	1.1
81.07058	3.6
83.05000	0.6
83.08596	0.5
85.02912	3.8
91.03956	2.0
91.05486	3.8
93.07042	5.0
95.04951	0.9
95.08600	2.4
97.02896	4.2
97.06522	0.5
97.10180	0.6
98.21524	1.1
99.04455	0.8
101.02382	1.6
105.07034	3.6
107.08617	2.5
109.02883	0.7
109.10171	0.9
117.07040	1.3
119.08594	2.1
121.06566	0.4
121.10171	1.3
123.08129	0.6
127.03930	1.2
129.06996	0.6
131.08604	1.4
133.10161	1.8
135.11687	1.6
137.56528	0.4
143.08620	0.5
145.10149	0.9
147.11720	1.2
159.11751	0.6
161.13263	0.6
163.03882	0.4
184.07416	1.0
185.04306	0.9
185.07820	0.4
201.03755	0.4
203.05518	0.5
229.93622	0.5
241.06964	0.7
243.06143	0.7
243.08369	3.6
243.10417	0.4
272.88028	0.3
301.08957	1.9
313.08926	0.4
315.10556	0.9
317.21176	0.5
333.20392	2.8
355.13919	0.4
373.11063	0.9
373.23679	0.5
385.18811	0.4
397.18408	0.4
439.19626	0.4
465.21234	0.9
469.20618	0.6
502.67947	0.5
535.28815	6.6
551.28320	5.0
607.32239	0.3
623.30682	1.1
637.31470	0.3
702.28113	0.4
845.50226	100.0
846.50537	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	845.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07056	5.6
71.51837	5.3
79.05486	4.3
81.07045	5.6
91.05480	4.6
119.08553	4.4
125.06068	3.9
167.63306	3.6
177.02528	3.6
182.65028	3.9
474.65472	5.5
586.46069	4.0
759.40826	100.0
760.39581	4.5
827.45349	6.3
845.46979	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	845.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	1.2
67.05517	3.5
73.02921	1.5
76.75898	0.7
79.05517	1.1
81.07072	1.7
85.02917	1.4
91.03973	1.3
91.05473	0.9
93.07053	1.6
95.08637	1.6
97.02917	1.9
105.07087	0.8
107.08627	1.7
109.10183	0.8
122.55557	0.7
133.08620	0.9
181.55202	0.7
184.07458	1.8
273.03473	0.9
280.84769	0.8
301.08899	1.0
373.11060	1.1
385.18552	1.4
519.29376	4.1
535.27545	1.1
578.30280	1.2
591.31543	1.2
661.40118	1.5
706.61511	1.1
717.41986	2.9
759.43274	4.2
827.48364	1.4
845.48297	100.0
846.48877	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	845.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.9
67.05499	4.4
69.03429	2.6
69.07071	1.9
69.76005	1.0
69.76431	2.0
71.04994	0.5
73.02914	3.8
79.05492	5.4
81.03421	1.7
81.07060	6.3
83.08614	0.8
85.02910	3.3
86.09709	1.2
91.03966	2.2
91.05488	3.7
93.07046	4.1
95.04996	1.1
95.08623	3.4
97.02894	3.7
97.06554	0.8
98.21078	1.7
99.04471	0.7
101.02386	1.6
105.07037	3.2
107.08618	1.9
109.02897	0.7
109.06542	0.5
109.10180	1.9
115.13093	0.5
117.06996	0.8
119.08612	2.1
121.06547	1.6
121.10168	1.0
122.62088	0.5
123.08127	0.6
127.03935	1.0
129.05516	0.9
129.06998	0.5
131.08621	1.6
133.10141	1.4
135.11745	1.4
136.06223	0.7
145.10133	0.6
147.11749	1.4
184.07339	4.4
185.04268	1.5
203.05347	0.6
235.51112	0.6
241.07028	0.7
243.08394	2.6
275.20114	0.9
301.09076	1.4
329.12329	0.5
333.20529	2.4
342.13565	0.6
389.23294	0.5
483.22330	0.8
535.28735	4.8
551.28339	6.4
623.30035	1.1
845.50000	100.0
846.50751	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	843.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02834	3.5
61.03181	1.0
67.05409	6.3
67.05791	0.8
69.03326	2.6
69.06969	4.6
69.07370	1.2
69.28550	4.2
71.01261	0.7
71.04905	0.8
73.02806	3.1
78.54837	0.5
79.05384	7.6
81.03310	2.1
81.06948	8.3
81.07462	0.8
82.07329	0.5
83.04889	1.5
83.08508	1.8
85.02796	4.3
87.04366	0.6
91.03832	1.8
91.05370	5.4
93.06933	6.2
95.04854	2.1
95.08492	5.0
97.02778	3.4
97.06450	1.3
97.10109	0.6
99.04372	1.0
101.02271	1.6
105.06906	6.0
107.04839	1.7
107.08466	3.1
109.02772	0.6
109.06419	1.1
109.10085	1.1
111.07983	1.0
117.06907	1.8
119.08458	3.2
121.06422	0.8
121.10061	1.3
123.07969	0.8
127.03751	1.4
128.28065	0.5
129.06940	1.0
131.08427	2.0
131.09291	0.5
133.10133	3.1
135.07953	0.5
135.11575	1.0
143.08435	1.2
145.10002	2.0
147.11662	3.1
149.09520	1.0
149.13199	1.0
157.41852	0.4
159.11600	1.3
161.13135	1.0
163.11076	1.1
171.11539	1.9
179.14159	1.6
182.72777	0.5
184.07175	1.3
202.93748	0.5
243.08470	4.0
247.12920	1.3
253.21529	0.5
275.19913	1.4
296.41217	0.5
301.08694	0.6
303.15631	0.7
312.08188	0.6
315.19339	7.2
322.28687	0.5
351.25360	0.8
371.17072	0.5
371.21677	2.1
465.21002	16.3
533.19409	1.0
533.27222	17.3
546.38409	0.6
551.28833	2.6
595.35736	1.5
628.46045	1.0
659.34052	0.7
677.35309	0.6
727.39935	1.4
745.41290	3.5
756.40631	0.9
757.41364	100.0
758.41614	7.1
825.47675	9.4
843.47852	48.6
844.47778	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	843.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	2.9
61.93512	0.4
63.37181	0.4
65.03926	0.7
65.17353	0.3
67.05511	13.0
68.05835	1.1
69.03436	2.8
69.07076	2.7
69.23647	2.5
69.24079	1.3
71.05007	0.7
73.02921	2.5
79.05497	8.0
80.05826	0.4
81.03436	1.3
81.07061	11.8
82.07409	1.3
83.04977	1.0
83.08617	1.5
85.02919	3.0
86.09730	0.4
91.03960	1.6
91.05482	7.6
92.05810	0.7
93.07050	9.2
94.07405	0.5
95.04974	1.5
95.08614	5.4
96.08970	1.0
97.02912	3.1
97.06523	0.8
97.10182	0.7
99.08054	0.4
101.02390	1.3
103.03908	0.5
105.07036	4.7
107.08597	4.8
109.02843	0.4
109.06566	0.9
109.10160	4.4
109.98705	0.4
110.10551	0.5
111.04493	0.5
111.08081	0.7
117.07053	1.8
119.08579	3.5
120.08883	0.5
121.06514	0.6
121.10140	2.3
122.10433	0.6
123.11736	0.6
125.00038	0.5
125.09666	0.8
127.03946	0.7
129.07033	0.7
131.08572	2.4
133.10144	3.9
135.11687	1.9
135.79874	0.4
137.09628	0.5
138.09929	0.4
145.10153	1.4
147.11700	1.7
149.09625	0.7
149.13278	1.1
151.11217	0.6
155.10703	0.4
157.10129	0.8
159.11734	1.5
161.09599	0.5
161.13351	0.5
171.11632	0.5
173.11761	1.1
173.13257	0.7
175.14850	0.4
184.07405	1.6
185.04233	0.8
187.14960	0.5
199.14816	0.5
222.16837	0.4
227.12860	0.5
229.14314	3.5
230.14792	1.1
243.08432	4.0
257.19254	0.4
261.22235	0.9
262.22580	0.7
269.17538	1.7
270.17905	0.8
275.20190	1.5
276.20450	0.9
291.19659	0.4
301.08960	0.9
315.10577	0.5
320.32721	0.6
331.18866	1.8
331.22296	0.4
335.25787	4.8
336.26233	4.0
349.23929	1.1
350.24423	0.5
367.25034	0.6
465.20667	0.6
489.35803	1.0
490.36230	1.4
529.39209	1.5
530.39301	3.7
535.28827	5.5
549.26794	4.6
570.43701	0.6
594.25562	0.4
609.44641	0.5
610.45563	2.6
621.28815	1.0
628.46741	1.4
820.20404	0.5
843.48633	100.0
844.48798	6.8
865.89178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45721	0.5
61.02933	4.4
65.03950	0.6
67.05509	5.7
68.73526	0.5
69.03448	2.4
69.07069	1.3
71.05003	1.0
71.50978	0.6
73.02906	2.5
74.42159	0.4
79.05495	5.1
81.03426	1.6
81.07055	5.4
83.04974	1.0
83.08645	0.6
85.02915	3.4
85.06561	1.7
86.09729	3.5
91.03970	1.9
91.05486	5.4
93.07055	4.5
95.04967	2.9
95.08617	3.4
97.02891	3.9
97.10177	0.5
101.02415	1.4
105.07045	3.2
107.08617	2.9
109.02890	0.5
109.06541	2.1
109.10191	1.3
113.06031	2.7
117.06998	1.2
119.08594	2.7
121.06503	0.8
121.10185	1.5
125.00021	2.7
127.03926	1.0
129.07051	1.1
131.08568	1.2
133.10172	2.1
135.08131	0.6
135.11731	1.5
136.06190	8.0
139.03928	0.6
143.08598	0.9
145.10170	1.0
147.11734	1.2
157.10213	0.7
159.11708	0.8
161.13329	0.8
171.11723	0.5
184.07336	9.8
185.04224	1.0
185.07686	1.1
203.05310	0.7
217.15993	0.8
243.08400	2.8
293.41977	0.5
301.09225	1.5
315.10550	0.5
316.36526	0.5
330.19339	0.7
331.18787	4.4
387.21655	1.5
465.21326	1.7
495.22360	0.7
533.27240	0.8
535.28693	6.4
549.26965	7.9
621.28821	1.2
682.45563	3.9
843.48651	100.0
844.49335	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	842.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.0
67.05508	90.7
69.03433	4.0
69.06722	2.4
69.07069	20.8
71.05006	2.4
79.05497	48.2
81.03425	3.1
81.07064	74.7
83.04969	3.7
83.08630	13.4
85.02895	1.9
85.06530	2.6
86.09715	1.8
91.05487	33.4
93.07048	54.6
94.07372	1.6
95.04962	5.5
95.08611	48.0
97.06528	6.6
97.10176	9.7
98.21145	11.9
105.07031	24.4
107.05005	3.4
107.08603	35.9
109.06540	3.8
109.10159	47.5
111.08062	3.6
116.37353	1.5
117.07021	8.3
119.08590	19.2
121.06539	3.4
121.10153	20.7
123.08093	2.6
123.11722	6.5
125.00006	1.6
125.09641	4.0
129.07034	2.8
131.08588	12.5
133.10143	15.2
135.08046	2.6
135.11716	11.7
137.09612	4.7
137.13257	1.6
143.08569	2.4
145.10147	14.2
147.11682	9.0
147.90254	1.6
149.09645	3.4
149.13272	7.7
151.11192	1.9
155.08495	2.1
155.10696	3.6
157.10164	2.8
159.11722	8.9
161.13237	4.4
163.11169	2.8
163.14833	3.1
171.11679	2.7
173.11740	7.6
173.13271	5.8
175.14777	2.0
179.14296	1.6
184.07361	10.7
187.14856	3.0
189.11272	2.4
195.13773	2.1
208.71901	1.7
227.12849	8.1
229.14343	31.6
241.19453	2.1
243.21127	3.9
257.19043	4.5
259.20776	2.0
261.22162	12.9
269.17432	12.8
275.20068	18.2
293.21164	2.4
306.26779	1.7
317.24802	2.3
333.24197	2.3
335.25806	100.0
336.26123	3.5
349.23795	14.2
350.24094	2.2
367.24750	11.1
489.35730	31.6
529.38965	33.4
576.73706	2.1
609.35956	2.5
609.45148	25.2
627.46350	18.6
801.00116	2.2
819.91156	2.0
842.47406	3.5
843.48645	10.7
877.88861	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81713	2.4
61.02934	5.4
65.03934	6.4
67.05510	100.0
69.03416	6.8
69.07075	58.1
71.05003	6.5
71.51288	2.4
73.02965	2.3
79.05499	50.4
81.03400	6.1
81.07060	88.4
83.04976	6.4
83.08631	16.1
85.06541	4.1
91.05480	43.7
93.07048	42.3
95.04982	8.3
95.08614	64.5
95.90007	2.3
97.02901	6.0
97.06549	14.5
97.10171	9.3
99.08088	5.3
105.04572	2.6
105.07044	35.2
107.04955	10.1
107.08585	22.1
109.06495	4.6
109.10162	38.4
111.08086	5.5
117.07011	15.2
119.08588	33.2
121.06527	4.3
121.10168	20.2
123.08073	3.4
123.11702	9.5
125.09605	6.6
128.06178	2.5
131.08591	14.2
133.10138	23.8
135.11719	12.3
137.09604	9.7
137.13226	4.4
145.10138	13.0
147.11665	11.2
149.09621	18.4
149.13287	6.9
157.10234	2.5
159.11700	10.9
161.13263	8.1
163.11192	5.6
169.10175	2.5
171.11674	2.6
173.11768	4.9
173.13252	5.7
175.14809	4.1
179.14330	3.4
184.07436	3.4
185.13268	3.1
227.12717	3.4
229.14391	6.3
257.19113	5.9
263.23621	3.7
275.20105	31.0
291.19455	4.3
293.53891	2.6
335.25702	3.9
337.27393	54.3
349.23752	37.9
350.24228	3.2
433.32693	5.7
491.37259	18.1
505.38843	4.0
515.40857	10.7
517.38580	4.3
531.40375	3.4
571.51831	2.9
572.10358	2.7
611.46661	38.0
612.47064	2.9
629.47546	3.6
800.70728	2.4
843.45447	11.2
868.90472	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	841.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	2.2
63.53660	0.5
65.03963	0.9
67.05506	15.8
68.05823	0.8
69.03427	3.9
69.07082	9.0
69.08248	0.6
70.06596	0.9
70.07423	0.7
71.05000	1.3
71.08635	1.0
73.02927	3.4
79.05497	14.5
80.05845	1.1
81.03418	3.1
81.07059	16.2
82.07374	1.6
83.04996	2.3
83.08622	3.7
85.02910	4.2
91.03975	1.7
91.05487	10.8
91.06018	0.9
92.05817	1.1
93.07050	15.4
94.07379	1.3
95.04993	2.9
95.08610	7.8
95.09171	0.8
96.08968	1.3
97.02908	3.7
97.06553	2.6
97.10183	3.0
99.04475	0.7
99.08124	0.9
101.02391	2.1
105.07032	8.8
107.04993	2.3
107.08602	7.6
108.08967	0.7
109.02865	0.8
109.06520	1.4
109.10168	3.6
111.08093	1.4
116.07058	1.4
117.07030	4.2
119.08582	7.7
120.08928	0.7
121.06499	1.6
121.10155	5.2
123.08092	1.1
124.11977	0.7
125.09689	2.3
127.03954	1.0
128.06239	0.9
129.06989	1.5
131.08572	4.3
133.10129	5.6
135.08081	1.6
135.11725	3.4
136.11986	0.7
136.89420	0.7
137.09601	0.8
143.08603	1.5
145.10153	3.4
147.08083	0.6
147.11728	2.8
149.09659	2.1
149.13312	1.7
155.08569	0.9
157.10181	1.1
159.11768	2.8
160.12080	0.9
161.13286	1.1
163.11197	1.5
169.10147	1.2
171.11720	1.2
172.12299	0.7
173.13274	1.0
175.14856	0.7
177.12848	0.8
179.14403	2.5
185.13319	0.8
187.14742	0.7
223.13365	2.0
227.13023	0.7
243.08467	3.5
255.15941	1.0
257.19345	0.7
259.20682	1.8
260.21054	0.7
269.17624	2.4
270.17874	0.9
275.20175	2.6
277.21780	1.8
278.22025	0.9
291.19684	2.2
315.19467	2.7
331.18872	1.2
334.24533	0.8
335.25931	1.3
349.23856	1.9
351.25363	2.7
352.25760	2.0
387.21707	0.8
421.86819	0.7
511.04681	0.6
532.37207	0.8
533.27325	8.3
545.38666	1.7
546.39026	2.4
549.26874	6.9
626.45239	2.5
669.95947	0.7
841.47052	100.0
842.47644	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	841.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	2.2
63.53660	0.5
65.03963	0.9
67.05506	15.8
68.05823	0.8
69.03427	3.9
69.07082	9.0
69.08248	0.6
70.06596	0.9
70.07423	0.7
71.05000	1.3
71.08635	1.0
73.02927	3.4
79.05497	14.5
80.05845	1.1
81.03418	3.1
81.07059	16.2
82.07374	1.6
83.04996	2.3
83.08622	3.7
85.02910	4.2
91.03975	1.7
91.05487	10.8
91.06018	0.9
92.05817	1.1
93.07050	15.4
94.07379	1.3
95.04993	2.9
95.08610	7.8
95.09171	0.8
96.08968	1.3
97.02908	3.7
97.06553	2.6
97.10183	3.0
99.04475	0.7
99.08124	0.9
101.02391	2.1
105.07032	8.8
107.04993	2.3
107.08602	7.6
108.08967	0.7
109.02865	0.8
109.06520	1.4
109.10168	3.6
111.08093	1.4
116.07058	1.4
117.07030	4.2
119.08582	7.7
120.08928	0.7
121.06499	1.6
121.10155	5.2
123.08092	1.1
124.11977	0.7
125.09689	2.3
127.03954	1.0
128.06239	0.9
129.06989	1.5
131.08572	4.3
133.10129	5.6
135.08081	1.6
135.11725	3.4
136.11986	0.7
136.89420	0.7
137.09601	0.8
143.08603	1.5
145.10153	3.4
147.08083	0.6
147.11728	2.8
149.09659	2.1
149.13312	1.7
155.08569	0.9
157.10181	1.1
159.11768	2.8
160.12080	0.9
161.13286	1.1
163.11197	1.5
169.10147	1.2
171.11720	1.2
172.12299	0.7
173.13274	1.0
175.14856	0.7
177.12848	0.8
179.14403	2.5
185.13319	0.8
187.14742	0.7
223.13365	2.0
227.13023	0.7
243.08467	3.5
255.15941	1.0
257.19345	0.7
259.20682	1.8
260.21054	0.7
269.17624	2.4
270.17874	0.9
275.20175	2.6
277.21780	1.8
278.22025	0.9
291.19684	2.2
315.19467	2.7
331.18872	1.2
334.24533	0.8
335.25931	1.3
349.23856	1.9
351.25363	2.7
352.25760	2.0
387.21707	0.8
421.86819	0.7
511.04681	0.6
532.37207	0.8
533.27325	8.3
545.38666	1.7
546.39026	2.4
549.26874	6.9
626.45239	2.5
669.95947	0.7
841.47052	100.0
842.47644	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	840.5471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67108	2.9
65.03954	5.1
67.05509	63.1
67.05852	2.4
69.03420	9.6
69.07066	25.4
71.04991	7.0
79.05500	72.3
79.05971	3.9
81.03422	5.6
81.07062	76.6
83.04992	9.6
83.08622	29.4
85.02913	4.5
86.09697	7.6
90.50800	3.0
91.05491	74.3
93.07050	72.6
95.04976	11.6
95.08615	38.9
97.06528	5.7
97.10171	35.3
98.20682	4.5
105.04551	4.7
105.07040	80.9
107.04964	7.4
107.08603	71.1
109.06530	8.2
109.10168	28.0
111.08089	5.9
115.05500	2.9
116.07100	6.9
117.07045	27.2
119.08596	50.1
121.06511	7.1
121.10127	23.3
123.08123	3.4
123.11713	11.7
125.00012	4.7
125.09636	31.8
128.06247	3.3
129.07018	20.1
131.08580	37.1
133.10133	35.9
135.08099	6.0
135.11694	12.1
137.09567	2.7
139.03880	4.6
141.06987	6.1
142.07790	7.7
143.08568	23.8
145.06465	3.2
145.10129	28.7
147.11707	28.5
149.09637	8.0
149.13327	7.9
150.06738	2.5
155.08565	15.6
157.10100	22.1
159.11702	25.7
161.13304	10.9
162.19131	2.8
167.08594	3.9
169.10081	16.3
171.10345	5.0
171.11667	19.7
173.11983	3.4
173.13222	15.1
175.14859	5.1
181.10143	9.1
183.11688	16.9
184.07361	24.8
185.13312	12.8
187.13312	7.4
187.14856	6.5
189.11249	14.9
194.10829	3.2
195.11748	7.9
197.13278	11.9
199.14874	8.0
201.16562	3.9
207.11679	3.5
209.13271	4.1
211.14853	7.9
213.16432	4.6
223.14862	7.2
225.16385	6.8
227.12807	26.0
227.17966	4.0
237.16460	3.8
239.18073	6.2
241.19565	8.5
243.15944	10.6
251.17996	4.0
257.19031	10.4
259.20572	15.6
275.20142	23.4
276.20490	4.5
299.20251	4.0
315.22961	3.5
333.24496	18.2
348.90005	3.2
349.23807	21.0
363.26941	4.1
365.28436	10.2
381.31747	5.2
383.29224	6.6
403.29996	3.1
439.32062	7.1
503.34039	3.7
513.35748	8.3
515.38666	9.0
527.38049	3.0
533.39917	9.5
551.40698	4.9
583.21741	9.5
589.42963	3.5
607.43567	54.4
625.34619	6.3
625.44653	100.0
626.44452	4.9
643.24078	3.5
840.52118	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	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	4.4
67.05509	59.3
69.03427	2.4
69.06732	2.5
69.07079	33.3
70.02899	8.2
71.04987	3.8
79.05502	64.9
81.03397	4.5
81.07061	100.0
82.07376	3.1
83.04968	5.6
83.08620	15.8
85.06544	5.4
86.09696	4.8
91.05485	65.5
93.06486	3.1
93.07051	57.1
95.04987	14.6
95.08614	43.4
96.08964	1.9
97.06519	11.0
97.10175	5.3
99.08111	3.7
103.05483	2.5
105.04518	3.8
105.07043	67.1
106.07389	2.9
107.04963	9.9
107.08598	36.4
109.06532	15.8
109.10156	18.3
111.08083	4.4
116.07095	2.4
117.07016	19.4
119.08589	52.5
120.08894	2.3
121.06517	6.2
121.10143	28.1
123.08049	5.9
123.11683	10.2
125.09608	2.5
129.07005	7.8
131.08559	25.8
133.10144	48.8
135.08055	4.5
135.11691	16.4
136.06200	3.1
137.09570	3.9
142.07697	2.4
143.08574	9.8
145.10123	22.6
146.10519	2.2
146.15895	2.1
147.11702	42.4
149.09636	9.2
149.13269	12.5
151.11107	3.8
157.10139	10.8
159.07979	2.2
159.11728	22.0
160.87349	1.9
161.09610	2.2
161.13287	21.7
162.01094	2.0
163.11214	8.1
163.14873	2.2
165.12767	4.4
165.20012	1.9
169.10103	3.3
171.11667	10.0
173.09673	3.0
173.13284	11.8
175.11229	3.6
175.14865	8.0
179.14185	3.3
183.11740	4.1
184.07347	10.8
185.13286	7.1
187.14767	3.7
189.12799	1.9
193.12253	3.2
197.13329	2.2
199.14815	5.3
201.12827	1.9
201.16370	2.0
213.16377	2.6
231.21097	3.3
239.17952	3.3
241.19594	20.1
247.20576	3.2
257.19067	8.8
259.20590	52.5
260.21078	2.1
267.15726	2.5
275.20071	48.7
275.23117	2.3
276.20459	7.0
277.21344	3.1
291.19467	4.1
292.20001	2.9
293.21112	17.4
300.69391	1.9
303.87747	1.8
315.23288	4.5
331.22784	2.8
333.24243	77.1
334.24576	3.2
349.23700	14.7
350.24219	2.5
351.25430	9.6
367.24844	46.9
398.55005	1.8
515.38306	2.7
527.36700	2.1
533.39948	4.4
545.37378	4.5
551.40674	10.3
607.43762	12.9
608.44696	2.5
625.34552	3.0
625.44568	44.6
626.45190	2.6
643.45496	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	840.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	7.5
67.05508	100.0
69.03415	7.1
69.07072	38.2
71.04994	5.6
73.97990	4.1
79.05499	99.5
81.03437	10.9
81.07059	100.0
83.04981	7.3
83.08614	23.0
85.02910	5.6
85.06558	9.1
86.09708	5.1
91.05485	99.8
93.07048	93.1
95.04980	26.2
95.08611	51.5
97.02860	5.7
97.06536	11.9
97.10183	13.5
98.21337	28.9
99.08093	5.6
103.05465	8.2
105.07040	92.9
107.04956	12.3
107.08592	58.5
109.06530	7.8
109.10153	29.8
111.08011	7.5
115.05455	4.6
116.07087	9.0
117.07006	40.5
119.07813	5.9
119.08599	72.8
120.67512	4.7
121.06526	8.6
121.10160	31.6
123.11714	7.0
125.09629	11.0
128.06218	8.4
129.07007	29.1
131.08574	55.0
133.10135	51.9
135.08038	8.4
135.11688	19.1
137.09621	8.1
141.07048	11.2
142.07814	5.7
143.08548	26.0
145.10136	45.2
147.11707	49.5
149.09680	11.8
149.13290	9.8
155.08498	10.9
157.10143	22.9
159.11674	33.4
161.13280	19.0
163.11211	12.6
167.08568	6.0
169.10141	11.5
171.11671	28.4
173.13277	19.3
175.14857	12.0
177.12624	6.2
181.10091	6.0
183.11674	14.6
184.07396	11.5
185.13326	17.5
187.14871	5.2
195.11678	12.7
197.13217	8.5
199.14841	9.0
209.13358	5.1
213.16454	5.0
223.14964	5.3
235.14703	4.9
237.16530	6.0
241.19556	8.7
255.16046	6.5
257.18988	9.6
259.20667	40.1
269.17459	6.9
275.20038	29.6
320.35913	5.2
333.24298	42.8
349.23737	14.1
367.24765	10.5
453.33945	6.1
513.35822	17.1
515.38202	5.3
527.37311	16.3
545.38397	6.1
553.39130	6.9
607.43573	29.1
625.44373	33.9
865.95392	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	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60646	4.1
62.91600	3.8
67.05180	5.6
67.05511	85.9
69.03422	7.6
69.06794	3.4
69.07072	37.7
71.04993	7.5
77.03941	4.4
79.05496	78.9
81.03437	19.5
81.07067	100.0
83.04989	9.8
83.08600	17.8
85.02890	4.9
85.06539	6.2
91.05483	84.8
93.07053	75.7
95.04964	15.2
95.08607	59.7
97.06529	15.3
97.10154	10.6
99.08112	5.4
105.04512	4.6
105.07031	78.9
107.04958	14.7
107.08601	50.1
109.06534	7.6
109.10168	20.0
111.08076	5.3
111.98151	3.7
117.07024	29.7
119.08588	63.8
121.06517	8.1
121.10164	24.3
123.11687	5.8
123.57754	4.1
127.03920	3.9
128.06227	8.8
129.05482	5.2
129.07005	21.2
131.08604	33.9
133.10138	48.1
135.08064	4.9
135.11684	28.6
143.08562	27.1
145.10136	38.9
147.11705	36.2
149.09615	7.5
149.13248	15.5
155.08534	11.9
156.60672	4.3
157.10152	21.5
159.11687	33.6
161.09573	4.2
161.13237	22.2
163.11157	6.3
169.10097	13.9
171.11652	24.1
173.09605	4.6
173.13272	11.9
175.14850	7.8
177.12738	8.4
181.10088	7.6
181.14474	3.9
183.11702	12.8
185.13287	13.1
187.14873	4.2
189.16426	3.9
193.63675	4.2
195.11758	6.6
197.13361	10.0
199.14868	9.3
209.13277	6.4
241.19557	18.3
255.15837	12.8
257.19019	8.6
259.20605	35.3
269.17499	11.3
275.19958	19.6
285.45914	4.1
297.22363	4.4
308.35077	4.4
327.23129	5.4
333.24237	39.1
349.23657	10.7
367.24835	6.3
435.32544	9.6
453.33377	9.1
499.34622	5.4
501.36136	4.6
513.35712	18.3
515.37659	6.4
527.37500	43.0
545.38568	5.1
558.73254	4.1
607.43384	21.6
625.44556	19.6
690.77515	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	840.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	4.9
62.92532	1.7
65.03951	8.3
67.05508	100.0
67.90788	1.6
69.03448	8.7
69.07070	32.2
70.63561	5.1
70.63900	1.9
71.04980	6.3
73.02911	2.5
79.05495	89.7
81.03432	12.0
81.07058	88.8
83.04552	1.7
83.04967	10.5
83.08625	18.4
85.02930	9.3
85.06525	3.6
87.60897	1.9
91.03967	2.7
91.05485	84.9
93.07044	79.4
95.04989	10.1
95.08610	55.0
97.02881	6.9
97.06532	11.3
97.10159	7.4
99.04489	1.6
99.08073	5.1
103.05463	4.1
105.04480	2.5
105.07030	88.8
107.04950	6.6
107.08596	45.3
109.06520	7.3
109.10159	22.1
111.08067	5.9
115.05458	5.1
116.07053	1.8
117.07019	43.8
119.08588	61.0
121.06521	3.0
121.10149	33.9
123.08048	5.5
123.11691	7.9
125.09612	4.1
127.03926	2.1
128.06223	6.8
129.05481	3.1
129.07001	26.3
130.07758	3.5
131.08572	45.8
133.06485	2.7
133.10144	39.8
135.08069	4.1
135.11694	18.8
137.09605	3.4
141.06981	6.8
142.07750	6.5
143.08574	30.9
145.06488	4.4
145.10135	38.8
147.07996	2.2
147.11705	28.7
149.09621	5.6
149.13260	12.1
153.06989	2.2
154.07771	3.0
155.08563	14.6
157.10133	25.8
159.11705	34.1
161.09581	2.0
161.13286	14.5
163.11192	3.9
163.14822	2.9
165.06961	3.7
167.08578	5.0
168.09418	3.1
169.10103	14.5
171.11681	25.4
173.11853	3.3
173.13254	13.8
175.11206	3.8
175.14824	7.0
177.12833	4.3
179.08531	3.2
181.10114	11.9
182.10812	1.9
183.11684	17.3
185.13228	16.2
187.11337	2.9
187.14857	8.5
189.12749	2.3
193.10120	3.7
195.11691	8.8
195.13687	3.1
196.12370	1.8
197.13240	13.3
199.14688	8.8
201.16293	3.6
207.11679	4.0
209.13293	6.9
211.14871	7.5
213.16405	6.0
221.13269	4.7
223.14873	5.0
225.16400	5.6
229.14232	3.2
235.14754	2.6
237.16370	2.4
239.17981	4.0
241.19499	7.9
251.17915	2.6
257.19016	6.6
259.20596	20.5
261.22244	2.4
263.17706	2.0
269.17480	7.1
273.18375	2.2
275.20093	10.6
289.22000	1.8
297.22079	2.1
309.86673	1.7
311.23477	1.8
313.21942	3.0
315.23169	5.4
333.24249	21.6
335.23682	1.8
349.24152	4.2
435.32159	3.2
453.33694	2.7
471.34933	3.0
513.35730	4.7
515.38068	2.5
517.40057	5.3
525.35217	2.2
526.06848	2.1
527.37390	15.2
533.40137	2.5
545.37903	2.7
591.43713	2.8
607.43469	5.5
609.45099	35.3
610.45447	2.2
625.44226	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	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	2.0
61.02920	3.5
65.03931	5.1
67.05507	100.0
69.03413	6.4
69.07072	57.4
69.28310	7.5
69.28735	4.8
71.01405	1.1
71.04980	5.7
73.02900	2.3
79.05499	67.0
81.03439	7.4
81.07060	85.6
83.04995	6.5
83.08625	13.4
85.02905	5.3
85.06546	2.7
91.05484	56.5
93.07046	72.1
95.04981	10.8
95.08611	65.0
97.02886	8.1
97.06536	12.6
97.10168	7.4
99.04425	1.4
99.08090	3.0
103.05475	2.5
105.04472	2.2
105.07042	42.6
107.04976	7.7
107.07887	1.9
107.08595	37.1
109.06488	4.9
109.10166	36.8
111.08055	5.4
115.05433	2.6
117.07028	14.7
119.08586	32.3
121.06488	4.0
121.10155	30.1
123.08054	5.0
123.11729	7.4
123.53693	1.5
125.09610	5.6
127.03893	1.4
128.06189	1.6
128.80174	1.3
129.05460	2.7
129.06989	5.5
131.08577	19.2
133.10135	26.1
135.08061	2.4
135.11685	19.8
137.09615	14.2
137.13263	1.7
141.06952	1.5
143.08540	4.4
145.06573	1.5
145.10121	18.5
147.11688	13.1
149.09633	14.1
149.13261	5.6
151.11186	3.3
155.08563	2.0
155.10661	3.2
157.10097	6.0
159.11720	13.7
161.09648	2.8
161.13258	12.6
163.11203	7.1
163.14816	3.2
165.09093	2.3
169.10161	3.0
171.10269	1.9
171.11671	3.9
173.04524	2.0
173.11778	3.3
173.13271	8.5
175.11200	2.8
175.14839	4.6
177.12753	4.1
179.14322	3.8
183.11751	2.9
185.13266	3.5
187.14771	3.6
197.13271	3.5
199.14876	1.8
201.12750	2.2
227.12770	2.2
229.14246	3.9
239.17955	3.7
243.21109	2.9
247.20541	2.5
257.18933	5.3
259.20563	2.1
261.22134	12.1
270.16434	1.3
273.18539	2.3
275.20074	33.4
287.08130	1.4
291.19617	4.0
293.21072	4.1
317.24796	2.6
321.24286	1.9
335.25815	82.0
336.25900	2.4
349.23746	42.1
351.25009	1.9
365.23358	3.1
431.31622	7.2
489.35727	20.0
503.36954	4.2
513.39532	9.5
515.37122	5.7
529.38495	2.0
609.45099	46.8
610.44928	3.0
627.46301	9.0
840.54852	1.6
848.00812	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	2.1
61.02910	3.4
65.03933	6.0
67.05510	100.0
69.03418	5.8
69.07071	60.8
69.82328	5.8
69.82736	2.2
71.04975	5.0
79.05499	71.1
81.03431	8.6
81.07063	80.3
83.04984	6.6
83.08624	14.4
85.02903	6.6
85.06530	3.6
85.61017	1.3
91.03985	1.4
91.05489	60.5
93.07048	68.8
95.04966	11.5
95.08610	63.4
95.77473	1.7
97.02880	4.6
97.06541	13.5
97.10190	7.7
98.20834	2.6
99.08050	3.5
105.04529	4.1
105.07040	42.7
107.04982	7.8
107.08598	41.3
109.06505	5.3
109.10167	39.6
111.08066	5.2
113.09689	1.8
115.05428	1.8
117.07034	19.1
119.01229	1.4
119.08589	35.7
121.06515	3.3
121.10155	27.5
121.88920	1.4
123.08060	5.6
123.11674	5.1
125.09637	6.4
127.03911	3.0
129.06982	4.7
130.07758	2.4
130.08673	1.4
131.08582	24.0
133.10138	28.9
135.08035	4.1
135.11687	13.7
137.09627	13.2
142.07751	1.7
143.08559	5.2
145.10144	17.3
147.08136	1.9
147.11693	16.3
149.09622	17.2
149.13266	10.2
151.11165	1.9
154.07744	1.6
155.08524	2.6
155.10631	1.6
157.10146	4.7
157.45006	1.4
159.11717	14.9
161.09615	2.6
161.13263	11.9
163.11208	6.4
163.14861	2.9
169.10091	4.2
171.10217	2.3
171.11702	4.0
173.11734	5.2
173.13257	9.1
175.11180	2.3
175.14868	2.7
176.83490	1.4
177.12779	2.1
179.14311	4.6
183.11679	4.8
185.13312	3.9
187.11134	1.9
187.14911	2.4
187.94586	1.6
197.13239	3.1
227.12831	3.0
229.14264	7.2
229.19514	3.1
239.18004	3.4
241.19508	2.2
243.21083	2.8
245.14009	1.9
247.20619	2.8
253.18005	1.6
255.13972	1.5
257.18964	7.8
259.20703	3.4
261.22156	10.7
273.18390	2.2
275.20081	32.9
275.22937	1.4
276.20193	2.0
277.21426	1.4
291.19501	5.7
293.21078	5.6
317.24911	1.9
333.24301	1.7
335.25830	73.5
336.26160	2.5
349.23764	42.5
351.25293	2.0
365.23288	2.5
383.24066	1.9
431.31580	6.6
437.49823	1.8
489.35779	22.8
503.36444	2.0
513.39520	9.2
515.37378	3.6
529.38800	2.6
609.45142	45.6
610.45319	2.4
627.46118	8.6
762.17719	1.8
840.54907	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	4.7
65.03932	4.6
67.05507	89.6
69.03448	7.6
69.07070	35.0
71.04993	19.8
71.24563	3.3
73.02925	2.3
73.06548	3.2
77.85485	1.5
77.96001	1.6
79.05495	73.0
81.03419	12.4
81.07059	100.0
83.04984	10.1
83.08617	17.3
85.02904	7.4
85.06536	3.4
87.04454	3.9
91.03967	2.3
91.04905	3.2
91.05480	55.9
93.07046	85.2
95.04982	11.8
95.08610	60.7
97.02890	5.2
97.06530	14.8
97.10159	5.2
99.08078	5.1
103.05475	2.3
105.04502	2.6
105.07036	40.6
107.04949	7.8
107.08595	44.4
109.02868	2.1
109.06544	6.7
109.10152	20.0
111.04451	2.1
111.08089	6.3
113.09636	5.0
115.19439	1.5
117.07011	17.9
119.07796	2.7
119.08586	29.7
121.06525	4.5
121.10144	32.7
123.08067	5.2
123.11689	6.0
125.09631	3.5
127.03929	4.8
129.05479	3.0
129.06996	4.9
131.08566	22.9
133.10143	23.1
135.08034	3.9
135.11716	17.6
137.09604	3.1
141.06963	1.6
143.08572	6.3
145.04903	1.5
145.06567	1.8
145.10109	15.8
147.11693	12.3
149.09610	10.2
149.13249	11.9
151.11195	2.3
155.08476	2.3
157.10130	2.8
159.11678	16.3
161.13287	5.9
163.11195	7.2
163.14850	3.2
165.12769	1.7
171.11716	4.9
173.04477	2.3
173.13231	7.9
175.14832	1.6
177.12798	2.6
179.14351	2.4
183.11662	3.9
185.13258	3.1
187.14854	3.3
195.13815	3.9
197.13240	2.8
199.14874	1.6
201.12653	1.4
229.19502	2.1
239.17941	4.1
243.21272	1.6
247.20341	1.6
257.19052	4.5
259.20621	2.9
261.22177	5.7
267.16156	1.6
269.17484	10.9
275.17273	3.0
275.20081	25.5
293.20920	1.7
317.24771	2.2
331.22742	3.7
335.25815	72.2
336.26044	1.8
339.18787	1.7
339.23636	1.5
349.23709	22.3
381.26312	3.1
398.86835	1.3
413.21536	5.6
429.31717	1.6
431.31882	1.7
489.35693	1.8
513.39459	1.8
515.37360	13.1
525.55920	1.7
529.38904	93.8
530.39447	3.3
609.45178	25.9
627.45978	5.7
641.48364	8.5
691.43903	1.8
773.57013	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.531
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03963	4.6
66.15482	2.0
67.05511	77.1
69.03429	7.3
69.06731	2.2
69.07072	22.0
70.75860	4.4
70.76196	3.8
71.04992	5.0
79.05502	73.3
81.03416	7.5
81.07061	76.8
81.19191	1.8
83.04998	11.7
83.08636	12.6
85.02888	4.0
85.06548	3.8
90.04276	1.9
91.05488	100.0
93.07051	66.7
95.04990	14.2
95.08615	39.1
97.02876	3.8
97.06546	11.5
97.10138	3.9
99.08106	3.6
103.05456	3.9
105.04510	2.9
105.07039	95.5
107.04947	8.1
107.08601	47.7
109.06545	13.2
109.10165	51.0
109.10914	2.5
111.08057	5.4
113.06004	2.9
115.05426	3.2
116.88645	2.2
117.07014	24.3
118.07796	2.4
119.08591	54.1
121.06492	7.0
121.10160	20.2
123.04379	2.1
123.08083	5.9
123.11740	9.4
125.09608	3.1
128.06215	5.5
129.07001	12.8
131.08582	31.3
133.06523	4.8
133.10147	84.7
135.08034	8.4
135.11700	16.6
137.09599	2.4
141.07033	2.9
142.07727	2.2
143.08557	15.2
145.10127	25.2
147.08055	5.3
147.11694	33.1
149.09657	10.1
149.13268	8.0
151.11215	27.8
155.08594	6.1
157.10127	11.3
159.08046	3.2
159.11734	15.7
161.09616	5.8
161.13268	14.4
163.11107	5.9
169.10091	4.2
169.12273	4.7
171.11693	15.0
173.13315	10.1
175.11122	3.4
175.14844	6.3
177.12857	2.5
179.10693	4.2
181.10129	4.4
183.11670	5.4
185.09665	3.1
185.13290	9.4
187.14758	2.4
189.12787	2.1
195.11830	2.7
197.13277	4.8
199.14900	4.6
200.11905	1.9
201.12726	2.9
201.16373	2.4
213.16347	2.4
215.12704	2.8
227.17932	2.3
231.21159	3.2
241.19560	15.9
245.19037	4.0
253.14360	65.3
256.17276	2.5
257.18964	3.0
259.20587	47.3
263.20056	4.2
273.18573	13.0
275.20065	6.2
289.18277	2.1
291.19507	11.4
313.21625	2.7
315.23184	6.3
333.24249	42.7
335.25900	2.4
347.22021	3.2
349.23682	4.5
360.59189	2.2
365.23132	20.9
419.29459	2.2
428.02722	2.3
437.30704	3.2
443.98074	2.1
455.31638	3.2
501.35593	3.8
511.34451	10.3
513.36639	2.3
525.36121	2.7
529.35175	13.2
531.37866	4.4
605.41943	5.6
623.43079	35.2
633.59351	2.5
637.66376	2.2
641.43787	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	838.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	55.0
69.03415	10.0
69.07074	33.4
69.80614	2.3
71.04984	4.2
79.05498	57.9
79.75626	2.1
81.03399	10.0
81.06586	3.4
81.07062	57.2
83.04974	7.7
83.08630	24.8
85.06527	2.2
87.04466	2.6
89.91454	2.2
91.05480	55.3
93.07044	51.5
94.83291	2.5
95.04965	17.0
95.08607	34.8
97.02891	10.3
97.06522	10.3
97.10165	21.0
97.96492	2.1
99.08117	2.9
105.07032	57.8
107.04988	11.6
107.08603	26.0
109.06519	8.1
109.10146	16.2
111.08102	4.1
115.05463	5.7
116.06171	2.8
117.07023	19.6
119.04967	3.1
119.08589	40.0
121.06525	5.0
121.10159	15.4
123.08012	3.6
125.09637	17.8
128.06250	4.9
129.07037	15.6
131.08563	25.8
133.06480	3.3
133.10155	32.5
135.08031	7.7
135.11661	12.1
136.06198	3.2
137.09625	3.1
142.07779	3.0
143.08594	16.0
145.10141	21.9
147.08040	9.3
147.11685	26.4
149.09639	5.9
149.13237	5.6
151.11221	3.2
155.08560	7.6
157.10130	9.5
159.11694	14.0
161.13240	16.2
163.11197	3.6
163.14827	3.2
169.10135	5.8
171.11722	11.1
173.11852	3.2
173.13292	8.4
175.11195	3.8
175.14822	9.3
177.12793	4.0
183.11668	5.7
185.13245	7.9
189.11253	10.2
197.13229	4.3
199.14813	5.9
203.14059	2.4
205.12270	2.8
209.13225	2.7
213.16426	3.5
223.13232	22.7
227.12758	11.9
238.22563	2.5
241.19580	11.1
245.13838	2.6
257.19144	3.0
259.20593	32.2
263.20245	2.5
273.18576	9.5
275.20132	13.5
291.19547	100.0
291.32547	2.5
299.23587	3.0
315.23126	9.1
333.24271	39.8
340.90735	2.9
349.23730	8.1
365.23334	34.8
367.24783	3.2
379.30029	3.2
479.42148	2.6
525.35510	8.6
529.35303	3.4
531.38605	3.9
543.36694	8.4
605.41650	5.2
623.43085	53.4
641.44147	13.8
698.46960	2.6
837.83356	3.0
847.78192	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	838.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	5.2
66.85118	1.6
67.05508	75.6
69.03435	7.1
69.06725	3.0
69.07073	30.1
69.23123	17.0
70.06596	34.1
71.04986	5.6
77.03898	2.5
79.05496	68.3
81.03422	7.5
81.07058	85.3
83.04967	11.8
83.08620	14.0
85.02901	2.8
85.06556	4.8
87.04476	3.4
89.04928	1.7
91.05484	96.6
92.06292	2.1
93.07047	72.8
94.41781	1.7
95.04955	14.5
95.08611	42.1
95.60066	1.7
97.02867	2.6
97.06537	10.7
97.10175	5.7
98.21127	8.9
99.08100	3.1
103.05448	3.0
105.04559	4.0
105.07037	100.0
107.04947	13.6
107.08596	50.8
109.06516	13.9
109.10162	44.9
111.04448	2.0
111.08105	6.7
115.05471	5.0
116.06353	2.0
116.07095	44.5
117.07018	30.4
119.08588	54.5
121.06492	10.0
121.10146	21.3
123.08069	7.9
123.11716	8.5
125.09617	2.7
128.06248	4.6
129.07002	18.4
130.07784	2.4
130.08656	2.9
131.08568	32.8
133.06500	4.1
133.10139	82.5
135.08051	10.1
135.11690	14.3
136.06161	3.1
137.09631	2.7
141.07002	3.3
142.07794	3.5
143.08575	16.0
144.09427	2.0
145.06471	4.7
145.10115	25.2
147.08055	6.8
147.11690	32.2
149.09608	10.3
149.13264	7.5
151.11192	21.0
155.08578	4.9
157.10135	15.1
159.08080	2.2
159.11678	16.7
161.09644	6.2
161.13264	18.1
163.11192	4.4
163.14864	2.3
165.12764	2.2
167.08537	2.9
169.10138	6.7
169.12238	3.9
171.11688	15.9
173.09592	3.6
173.13266	11.5
175.11168	3.1
175.14841	12.4
177.12735	2.2
181.10208	3.2
183.11707	5.0
185.13280	9.1
187.11288	2.3
187.14827	6.1
189.12732	4.1
193.10217	2.0
193.12143	1.7
195.11713	2.8
197.13292	4.4
199.14850	5.0
203.18195	1.9
209.13290	3.2
211.14861	2.9
213.12840	2.0
213.16414	2.6
215.12741	2.2
227.12897	2.4
229.19420	2.0
231.21062	5.2
235.14748	2.0
237.16270	2.9
239.17923	2.5
241.19576	14.8
245.19054	3.1
253.14339	36.3
257.19101	5.3
259.20575	43.6
263.20203	3.4
271.15424	4.2
273.18518	15.0
275.20126	14.1
283.20508	2.0
289.17932	2.2
291.19571	18.6
312.98999	1.9
315.23312	10.2
333.24268	39.6
347.22253	3.6
349.23828	11.9
353.28467	2.0
365.23233	27.1
367.24875	3.0
409.31049	2.1
419.28934	2.6
437.30438	2.8
455.31424	2.6
501.35855	3.9
511.34213	10.3
513.36469	5.1
525.35480	2.7
529.35291	14.3
531.37860	4.6
543.36597	4.7
549.39313	6.3
595.43286	2.8
605.42316	11.3
623.43042	49.1
624.43274	5.9
632.88318	2.1
641.43994	8.0
647.65820	1.9
660.68689	1.7
838.52380	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73230	1.3
65.03941	6.7
67.05505	62.0
69.03416	4.7
69.07069	39.8
69.92151	6.4
71.04977	4.2
77.03914	1.7
79.05494	62.4
81.03418	13.2
81.07057	79.1
83.04996	11.8
83.08604	12.6
85.06549	3.1
87.04436	2.6
91.05480	80.6
93.07042	53.9
95.01331	10.8
95.04955	13.3
95.08606	48.8
97.02911	2.9
97.06533	27.8
97.10147	6.0
98.21400	2.7
99.08086	3.8
103.05438	2.8
105.04478	3.4
105.07029	100.0
107.04948	20.7
107.08601	29.8
109.02843	1.9
109.06516	5.0
109.10166	13.0
111.08054	4.0
113.05979	1.7
113.09606	1.7
115.05417	1.8
117.07017	23.6
119.08582	52.7
121.06493	5.1
121.10146	15.1
123.04387	1.9
123.08041	3.7
123.11684	2.8
125.09614	3.4
127.03889	1.7
128.06235	2.3
129.06978	7.2
130.07758	1.8
131.08563	36.9
133.06508	2.8
133.10132	51.2
135.08026	5.0
135.11665	11.0
137.09605	3.9
139.07533	2.2
141.06920	2.7
143.08517	7.0
145.06485	3.9
145.10110	25.7
147.08087	2.2
147.11696	23.7
149.09627	8.8
149.13248	9.5
151.11092	2.2
155.08534	2.0
157.10114	6.8
159.11685	19.4
160.02223	1.5
161.09579	3.7
161.13275	10.9
163.11166	6.0
165.09111	2.7
169.10152	4.4
171.11639	4.7
173.13205	8.0
177.12718	6.9
179.14301	13.7
183.11723	2.8
185.13228	3.3
187.11163	2.9
187.14830	2.8
195.13782	2.2
197.13345	3.1
199.14809	1.9
209.15268	1.6
215.14365	1.6
223.13283	2.1
229.19672	2.8
238.31381	1.5
239.17863	3.9
241.19522	6.6
251.16527	1.9
257.19052	11.5
259.20615	9.0
269.17474	9.5
273.18332	1.6
275.20062	81.4
291.19540	4.8
291.22662	1.5
293.21002	4.6
315.23306	3.1
333.24243	17.1
349.23721	36.2
543.36810	21.1
607.43506	27.9
623.42969	6.7
625.44055	4.1
749.44196	1.6
780.61658	1.3
815.34778	1.5
827.91974	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	5.7
67.05512	70.6
69.03411	6.7
69.06729	3.8
69.07072	48.4
71.04990	6.8
71.08615	2.3
76.21651	1.9
79.05499	63.5
81.03420	17.8
81.07063	89.5
81.44495	1.9
83.04989	13.2
83.08630	15.5
85.02911	3.8
85.06511	4.3
87.04468	5.5
91.05487	81.4
93.07053	67.3
95.01319	9.1
95.04971	13.0
95.08612	43.1
97.02885	3.9
97.06545	35.6
97.10159	8.2
99.08099	3.1
103.05461	3.3
105.04494	4.5
105.07036	100.0
107.04974	16.8
107.08604	34.4
109.06525	8.5
109.10152	14.0
111.08077	5.2
115.05413	3.0
117.07037	25.0
119.08588	54.1
121.06499	5.4
121.10159	20.7
123.04449	2.1
123.08053	5.5
123.11670	4.8
125.09641	5.9
127.03881	2.0
128.06219	3.4
129.06999	9.0
130.07849	2.9
131.08580	38.1
133.06505	2.6
133.10149	54.8
135.08040	8.0
135.11694	14.1
136.06166	15.8
137.09645	4.3
141.06932	2.9
143.08551	9.5
145.10130	28.0
147.07997	2.3
147.11705	25.3
147.44769	2.1
149.09631	17.2
149.13286	6.9
151.11197	5.0
155.08543	4.5
157.10120	7.9
159.11703	21.9
160.11928	2.1
161.09625	3.2
161.13237	9.2
163.11241	11.0
165.09125	2.3
169.10152	3.9
171.11711	2.5
173.04472	2.2
173.13301	8.4
175.14876	2.8
177.12776	5.6
179.14317	18.2
183.11749	4.0
185.13164	4.1
187.11267	3.0
187.14822	2.3
189.11188	3.2
191.42570	2.3
195.13879	2.6
197.13289	5.4
199.14832	2.8
205.12262	3.0
213.16467	2.6
219.17464	5.7
227.12794	4.8
229.14212	3.0
229.19498	3.4
229.55530	2.0
239.17937	5.1
241.19574	2.3
247.20558	3.5
251.16472	2.6
255.16034	9.8
257.19067	15.0
259.20581	9.3
269.17484	20.6
273.18411	2.4
275.20084	98.5
276.20346	3.1
287.84885	2.4
291.19519	11.1
293.21094	7.4
331.22668	3.0
333.24237	7.6
349.23779	60.6
350.24097	2.5
365.23260	6.4
367.24777	5.8
445.29971	2.6
525.36169	2.5
529.35242	30.1
543.36884	93.3
544.37006	4.9
623.43030	46.9
624.43030	4.7
641.43683	9.0
687.40894	4.1
801.02350	2.8
838.52417	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73325	1.2
65.03961	1.8
67.05510	37.0
69.03427	7.7
69.07073	36.1
69.45914	1.2
69.96238	5.4
79.05070	2.2
79.05499	31.5
81.03442	9.8
81.07066	46.0
82.49498	1.2
83.04976	5.9
83.08622	8.6
85.02880	1.4
85.06552	2.3
91.04909	1.5
91.05486	43.4
93.07053	30.9
95.01342	5.6
95.04984	8.6
95.08615	24.5
97.02895	7.7
97.06540	32.1
97.10167	10.6
105.07043	56.4
106.07427	1.5
107.04967	18.4
107.08599	17.7
109.06510	5.2
109.10181	11.4
111.08055	2.4
115.05420	1.9
115.59921	1.6
117.07008	14.5
119.08588	33.5
120.51476	1.3
121.06518	5.0
121.10165	9.2
123.04420	2.0
123.08108	3.3
123.11751	1.4
125.09647	6.5
128.06219	2.1
129.07013	3.4
131.08580	20.9
133.06508	3.1
133.10139	30.2
135.08034	5.1
135.11684	5.2
137.09589	2.9
139.07588	1.7
141.07018	1.9
143.08566	3.7
145.06560	1.8
145.10155	10.8
147.08089	6.1
147.11720	11.2
149.09647	6.3
149.13261	3.7
151.11215	2.8
154.77765	1.2
155.08501	2.5
157.10159	4.4
159.08093	2.3
159.11702	9.4
161.09576	3.2
161.13272	3.7
163.11168	4.4
165.09143	1.7
169.10124	2.7
171.11688	3.8
173.13310	3.0
174.15875	1.3
175.11143	2.8
177.12773	5.0
179.10892	1.3
179.14342	9.3
187.11232	1.5
187.14801	1.4
189.11220	2.5
197.13264	2.3
205.12283	1.7
223.13290	12.5
227.12801	3.2
247.20535	1.9
249.14867	2.1
253.14346	1.9
257.18976	5.1
259.69000	1.3
267.15952	2.1
273.18539	11.9
275.20084	65.9
283.94751	1.3
291.19559	59.5
292.19611	1.8
293.21005	4.6
310.18829	1.3
347.22195	3.4
349.19788	2.4
349.23779	27.3
365.23260	42.9
366.23355	1.7
397.54181	1.3
541.35065	3.6
559.36255	1.7
621.41229	3.9
639.42621	100.0
640.42596	5.8
657.43646	2.2
796.31927	1.4
811.45154	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31758	1.2
65.03947	2.8
67.05509	32.6
69.03422	5.1
69.07072	30.1
69.17413	13.2
70.06578	1.1
78.46536	1.1
79.05070	2.1
79.05497	28.9
81.03415	7.9
81.07059	39.0
83.04991	6.0
83.08625	8.8
85.02913	1.5
91.05489	39.0
93.06486	1.7
93.07050	27.5
95.01340	6.0
95.04980	9.2
95.08607	24.8
97.02888	8.4
97.06535	28.1
97.10165	8.3
98.21523	2.9
99.08057	1.2
103.05455	1.1
105.07037	53.9
107.04958	13.9
107.08593	16.5
109.06512	3.6
109.10153	7.8
111.08124	2.8
112.99389	1.2
113.09621	1.4
116.07068	3.3
117.07032	12.9
119.08590	27.8
121.06483	4.8
121.10174	5.6
123.04471	1.5
123.08065	5.0
125.09640	6.4
129.07028	3.2
131.08578	16.2
133.06479	2.6
133.10143	26.9
135.08025	3.8
135.11726	5.6
137.09634	2.5
139.07544	1.5
141.06982	1.8
143.08578	4.6
145.06494	2.4
145.10146	10.8
147.08058	3.4
147.11694	10.5
149.09613	5.1
149.13266	4.4
151.11136	2.8
155.08606	1.9
157.10132	3.7
159.11671	8.1
161.09639	1.8
161.13281	2.6
163.11185	3.9
165.09157	1.4
167.10745	1.2
169.10120	2.2
171.11642	1.5
173.13274	1.3
175.11217	2.8
177.12712	2.9
179.14330	11.2
185.13445	1.2
187.11188	3.0
187.14848	1.2
189.11172	1.8
189.12723	1.6
195.13754	1.4
205.12195	2.7
223.13345	9.3
227.12747	3.7
247.20529	2.1
249.14987	2.1
253.14375	2.4
257.19055	4.4
273.18530	8.7
275.20065	61.5
276.20352	2.5
279.16043	1.7
291.19547	51.3
293.21100	4.5
347.22073	4.4
349.19791	2.3
349.23764	28.1
349.27951	1.1
365.23257	38.1
366.23355	2.5
396.57101	1.2
404.25967	1.3
541.35181	3.4
543.35968	1.4
593.22162	1.4
621.41309	2.2
639.42560	100.0
640.43359	5.9
657.43872	2.2
747.40851	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.6147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	26.0
59.12106	0.9
66.98963	0.9
67.05508	2.1
69.03394	0.9
69.07056	3.4
69.27935	3.9
69.28372	4.3
71.08637	84.0
71.87223	1.0
73.02914	1.3
73.06567	2.1
79.05485	1.9
80.49556	1.0
81.07051	1.3
83.08620	2.6
85.10189	78.2
86.09673	1.1
86.10504	1.4
87.04474	16.9
88.97602	0.9
89.06039	100.0
90.92108	1.0
91.05529	1.6
93.07028	1.3
97.10186	2.8
99.11747	12.7
101.09657	1.4
105.07048	1.3
107.07094	2.0
111.11742	1.3
113.13298	5.3
117.09151	8.5
121.06545	0.9
130.08641	3.7
131.07036	7.6
133.08617	78.3
134.60352	0.9
155.17966	10.5
159.10168	1.2
160.33743	1.0
161.11673	1.1
168.19806	1.0
175.08418	0.9
175.09628	5.7
177.11238	31.8
178.98810	1.0
184.07355	2.6
191.12668	1.0
213.22137	16.8
221.13866	5.3
239.14946	1.0
254.24835	1.1
265.16464	1.3
271.26376	7.0
283.17499	2.1
292.19067	1.1
309.19180	1.2
327.20282	1.3
547.33258	8.1
569.22760	1.2
605.37305	1.2
834.61267	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	834.6144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	23.3
67.05514	2.5
69.07051	2.7
70.19979	1.8
70.20330	3.0
71.08632	84.5
73.02930	1.7
73.06574	2.6
79.05505	1.6
80.03550	1.0
81.07040	1.9
83.04969	1.1
83.08631	2.6
85.10182	79.0
86.09685	1.6
87.04472	17.5
89.06032	100.0
93.07049	3.1
97.10158	2.5
99.11740	13.3
101.09676	1.9
103.07594	1.3
107.07088	1.3
111.11681	1.3
113.13284	4.8
117.09132	9.7
130.08623	2.8
131.07074	5.9
133.08606	75.9
155.17955	9.3
155.61790	1.0
161.11711	1.8
175.09650	7.1
177.11224	28.6
184.07362	3.5
191.12952	1.6
197.98315	0.9
213.22116	16.8
221.13832	5.2
265.16418	1.5
271.26315	6.3
283.17453	2.1
288.06625	1.2
503.30734	2.2
547.33569	6.0
834.60498	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	834.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	4.3
65.03936	2.5
67.05508	15.7
68.05025	5.3
69.03416	2.7
69.07081	3.7
69.75988	4.6
70.06598	22.6
73.02906	3.3
79.05067	1.3
79.05499	16.8
80.05017	2.3
81.03420	1.3
81.07056	12.0
83.05003	1.0
83.08607	1.4
85.02905	3.7
85.06528	0.9
91.03970	1.6
91.05486	18.6
91.76996	0.7
93.03573	0.7
93.05808	1.5
93.07043	14.2
94.06573	2.3
95.04977	2.7
95.08607	8.1
96.08136	4.4
97.02892	2.6
100.07623	5.3
101.02367	1.1
103.05441	0.9
105.07037	12.4
106.06570	4.3
107.07298	0.9
107.08587	6.4
108.08102	3.9
109.10143	2.6
114.05536	8.6
116.07116	1.6
117.07027	5.1
118.06544	2.6
119.07277	1.0
119.08603	7.6
120.08096	8.3
121.06582	1.0
121.10150	3.0
122.09657	2.5
127.54384	0.8
128.07097	5.4
129.07008	2.3
131.08580	5.9
132.08119	2.1
133.08890	1.1
133.10138	3.8
134.09642	12.0
135.10458	1.8
135.11667	0.9
136.07555	1.1
136.11211	2.7
140.07028	0.9
143.08580	2.0
145.10144	2.4
146.09671	2.0
147.11632	1.8
148.11218	6.3
149.13286	1.3
152.10728	1.0
154.08638	3.6
159.11760	1.5
160.11215	1.7
161.13226	0.9
162.12729	1.0
164.07094	9.3
166.08652	2.2
168.06639	1.1
171.11691	1.5
173.13390	1.0
174.12697	1.3
177.07875	1.1
178.08607	5.2
179.09503	1.1
180.10216	20.2
185.13263	1.0
190.08556	0.8
191.14326	1.1
192.10179	1.4
193.10834	0.8
194.08119	3.0
194.11812	1.2
206.11780	3.9
212.37653	0.9
230.19073	1.3
232.20631	2.6
250.18140	0.9
253.90359	0.9
258.18539	4.9
260.20221	3.1
274.17932	0.8
276.19586	18.8
276.22592	1.0
278.21191	4.5
302.17459	3.8
304.19089	40.8
305.19449	1.4
313.27524	0.8
316.22769	0.8
320.18658	1.6
322.20126	15.9
333.24088	1.1
334.23892	7.5
350.23312	1.1
376.90848	1.0
378.22800	5.8
396.23782	12.4
535.72333	0.8
584.35345	0.8
592.43359	2.0
636.42175	3.2
654.43665	77.7
655.44067	4.5
672.45074	3.7
816.48907	100.0
817.49097	6.6
834.50018	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	75.8
59.06098	4.6
60.04509	1.5
61.02910	5.7
65.03925	2.5
65.67027	1.1
67.05505	31.4
68.05001	2.0
69.03429	3.7
69.07061	8.2
70.06603	9.0
71.08609	1.4
73.02893	1.7
79.05492	29.0
80.05009	2.5
81.03397	2.0
81.07061	29.3
82.06588	7.6
83.08609	4.2
84.04490	4.9
84.08141	9.9
84.85156	1.5
85.02879	5.6
91.03957	1.9
91.05479	17.9
93.07041	25.4
94.06570	15.5
95.04946	3.7
95.07355	2.0
95.08612	17.7
96.08109	3.7
97.02884	5.9
97.06538	3.3
98.20800	3.5
105.07024	16.7
106.06564	3.2
107.08592	16.8
108.08089	3.5
109.06549	1.7
109.10170	7.0
110.09673	2.9
112.07586	2.5
114.09187	1.4
116.07099	7.5
117.07012	6.7
119.08586	9.1
120.08123	3.2
121.10156	6.8
122.09642	2.8
123.11724	3.1
124.11233	5.2
129.07021	3.3
131.08519	6.7
132.08075	1.6
133.10085	7.0
134.09631	2.2
135.11671	3.6
136.11238	2.3
139.66547	1.4
143.08519	2.5
145.10110	6.1
147.11664	5.0
148.11230	1.7
149.13248	1.6
152.10666	1.5
153.31458	1.3
157.10153	2.6
159.11679	5.2
161.13278	2.3
162.12798	3.0
164.14325	3.7
168.13802	1.5
171.11699	1.8
175.14894	1.9
179.85078	1.4
180.13860	3.1
185.13177	1.5
208.13405	1.7
220.16884	2.5
300.23166	2.9
318.24417	6.4
330.01965	1.5
335.25876	10.7
375.25522	1.9
392.27957	5.0
532.39667	4.3
652.49365	7.9
670.50391	100.0
671.51129	6.7
814.54968	1.7
832.55426	15.2
833.56818	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58948	0.7
61.02830	5.9
67.05402	9.2
67.05792	1.4
69.03323	4.1
69.06969	2.6
69.80959	1.7
69.81367	2.2
71.00209	0.7
71.04913	1.1
73.02809	4.8
73.52239	0.7
79.05379	6.5
81.03312	2.6
81.06939	9.5
81.07460	1.2
83.04887	1.1
83.08537	1.2
85.02789	7.1
89.72066	0.7
90.47967	0.7
91.03830	4.4
91.05356	5.1
93.06925	8.3
94.07254	0.9
95.04857	2.0
95.08482	6.5
97.02764	6.3
97.10063	0.8
98.21409	0.9
99.04380	1.2
101.02291	1.7
105.06890	3.7
105.23151	0.6
107.08466	4.5
109.02783	1.0
109.06441	1.0
109.10026	2.1
117.06947	1.8
119.08435	2.9
121.10014	3.1
123.07932	0.9
127.03796	2.1
129.06870	0.8
131.08464	1.6
133.09990	1.6
135.11586	1.7
143.08592	0.7
145.10017	1.6
147.11568	1.7
154.49301	0.7
159.11598	0.7
161.13141	0.8
171.11562	1.7
173.13075	0.9
184.07175	2.9
185.04144	1.0
243.08401	3.4
247.12953	2.3
252.00735	0.7
327.51492	0.7
333.20105	1.4
335.25729	1.6
337.27087	0.7
338.28036	1.1
339.27951	0.8
342.13290	0.9
342.17578	0.6
394.02490	0.7
453.20624	0.9
465.20901	8.3
519.29291	17.5
520.29700	1.4
531.39679	1.2
533.27203	1.6
533.41248	0.8
541.45496	0.7
551.28717	1.5
581.37775	1.6
591.31116	1.0
713.42737	3.1
715.43256	1.2
731.43304	3.0
743.43420	100.0
744.43878	7.3
811.49701	9.3
829.50586	29.6
829.63312	0.9
830.50696	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12418	0.4
61.02930	4.8
65.03963	0.5
65.39862	0.4
66.15894	0.4
67.05503	4.2
69.03434	3.1
69.07066	1.6
71.04972	0.5
73.02926	3.8
79.05495	6.2
80.94756	0.4
81.03422	1.9
81.07060	4.5
83.05023	0.5
83.08604	0.5
85.02906	4.5
86.09703	0.5
91.03954	2.3
91.05489	4.6
93.07050	5.8
95.04976	0.7
95.08587	2.5
97.02893	4.2
97.10190	0.6
99.04478	0.8
101.02390	1.9
105.07028	4.6
107.08610	3.0
109.02898	0.8
109.10198	1.2
117.07037	1.1
119.08604	2.6
121.10169	1.8
127.03933	1.2
129.05508	0.6
129.07028	0.5
131.08598	1.3
133.10130	2.5
135.11694	1.2
145.10164	1.4
147.11717	1.6
149.13309	0.8
159.11720	1.1
161.13298	1.0
184.07437	1.6
185.04260	1.6
243.08397	3.5
249.10866	0.4
259.20569	0.6
301.08884	2.4
313.08945	0.5
315.10562	1.3
317.21002	1.7
373.11423	0.5
373.23434	0.5
383.17117	0.7
385.18622	0.7
397.18176	0.4
429.17343	0.5
462.67062	0.4
465.21112	1.9
520.78052	0.4
525.23022	2.2
535.28796	14.0
535.36774	0.8
536.29327	0.7
607.31012	1.7
829.50708	100.0
830.50983	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	829.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.0
67.05510	6.4
68.27502	0.6
69.03444	3.6
69.07074	4.9
69.26497	1.2
69.26907	4.5
71.05003	0.9
71.08640	1.3
73.02921	2.8
79.05497	5.1
81.03419	1.8
81.07059	8.1
83.04993	1.0
83.08620	3.6
85.02895	4.8
86.09681	1.0
87.04465	0.7
91.03963	1.8
91.05481	5.7
93.07048	7.0
95.05004	0.9
95.08617	6.0
97.02893	3.5
97.06524	1.3
97.10184	2.4
98.20715	1.1
99.04453	1.0
99.08142	0.7
101.02406	1.7
105.07017	3.7
107.08606	4.2
109.02879	0.7
109.10178	2.2
111.11710	1.0
117.07046	0.8
119.08574	3.5
120.79270	0.6
121.06554	1.1
121.10140	4.2
123.11665	1.0
125.13300	0.8
127.03983	1.0
131.08607	1.3
133.10112	3.4
135.11725	2.3
137.13306	0.7
143.08467	0.8
145.10144	1.5
147.11740	2.0
149.13181	0.6
159.11671	0.8
161.13170	1.1
163.11232	0.7
178.59874	0.6
179.14349	1.1
184.07404	2.2
217.19618	2.2
235.20627	4.1
241.06882	0.6
243.08443	3.5
253.21666	8.2
263.41379	0.6
271.22672	4.0
301.09070	1.3
312.90866	0.6
315.11041	0.6
317.20908	2.2
335.51587	0.6
475.40097	0.7
497.68567	0.8
535.28876	14.7
536.29669	0.9
607.31293	0.9
829.50702	100.0
830.50812	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	828.5833
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87809	3.7
67.05510	81.3
68.55201	3.7
69.03438	5.3
69.07069	55.1
71.04976	7.5
71.08617	6.8
71.52227	5.3
71.52629	6.6
77.66415	3.4
79.03607	4.2
79.05499	56.4
80.25286	3.7
81.03416	6.7
81.07063	100.0
83.04977	10.3
83.08625	35.0
85.02892	7.2
85.06534	5.9
86.28013	3.7
89.13689	3.5
91.05494	41.9
92.75122	3.8
93.07050	60.3
95.04988	5.4
95.08613	60.9
96.86421	3.8
97.02887	4.7
97.06544	13.2
97.10182	22.7
99.08060	4.0
105.07040	37.0
107.04946	6.7
107.08602	41.2
109.06523	5.3
109.10165	23.7
111.08068	7.2
117.07034	20.3
119.08577	25.0
121.06510	4.9
121.10142	34.2
123.08105	4.5
129.06989	5.8
131.08548	18.1
133.10123	16.8
135.07970	4.7
135.11652	20.5
141.59283	4.2
145.10117	10.6
147.11707	11.5
149.09627	7.1
149.13283	13.7
159.11713	18.6
161.16962	5.2
173.13271	5.1
177.12775	4.3
184.07405	9.8
185.13300	4.8
195.13809	5.6
196.33195	3.7
255.15889	14.4
257.18982	10.4
265.25369	8.6
269.17499	42.9
275.20084	29.3
313.27463	7.3
339.29004	93.3
349.23892	31.3
413.21878	4.7
507.40677	9.3
519.40497	22.3
533.42108	91.1
534.41046	4.0
613.48315	26.9
631.48798	10.1
657.60724	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	829.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	1.4
67.05508	5.2
69.03410	1.8
69.88593	1.2
71.51852	2.4
71.83784	1.3
73.06767	1.1
81.07077	4.5
85.02902	1.8
91.05508	3.1
93.07063	3.0
95.08626	2.6
95.30247	1.2
97.02891	2.1
107.08559	1.5
119.33598	1.2
124.65857	1.4
157.10188	1.4
184.07414	3.2
259.33987	1.4
743.43530	3.7
811.49072	2.7
829.48920	100.0
830.49219	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	827.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	4.6
65.03950	0.6
67.05509	11.8
68.05856	0.8
69.03437	4.1
69.07072	4.7
71.01345	0.6
71.04996	1.3
73.02915	3.8
79.05499	8.4
81.03417	2.3
81.07059	13.2
82.07397	1.1
83.04990	1.4
83.08627	2.3
85.02907	5.3
85.06555	0.5
91.03973	3.1
91.05485	8.3
91.06017	0.6
93.07049	8.4
94.07375	0.7
95.04997	1.7
95.08613	8.1
96.08957	1.1
97.02901	4.2
97.06551	1.7
97.10206	1.3
99.04482	1.0
99.08067	0.6
101.02370	2.1
105.07040	6.0
105.07707	0.6
106.07366	0.6
107.04988	0.8
107.08586	4.9
108.08937	0.5
109.02909	1.1
109.06532	0.9
109.10153	3.8
110.10536	0.4
115.03979	0.6
117.07011	2.1
119.08571	3.5
120.08943	0.7
121.06554	0.7
121.10136	3.5
123.08057	0.6
123.11707	1.1
125.09644	0.5
127.03960	1.7
129.07054	1.1
131.08585	3.0
133.10147	3.6
134.10490	1.0
135.08109	0.6
135.11703	1.7
136.12077	0.5
143.08594	0.7
145.10138	2.6
145.62718	0.4
146.10506	0.6
147.11752	1.2
149.09676	1.2
149.13338	1.2
151.11208	1.0
157.10181	0.6
159.11708	2.2
161.09595	0.7
161.13329	0.8
169.10202	0.6
171.11731	0.5
173.13329	0.6
174.13631	0.5
175.11284	0.5
175.14876	0.4
184.07452	0.7
185.04242	0.5
185.13287	0.8
199.11194	0.5
199.20197	0.4
203.05284	0.5
219.17554	0.5
227.12805	0.9
228.13152	0.6
233.32504	0.4
239.17863	0.5
243.08350	2.1
257.18976	0.9
258.19330	0.5
269.17557	1.4
275.19904	2.0
276.20557	1.3
331.18777	2.7
335.26028	1.1
336.26285	1.4
337.27451	4.3
338.27652	3.0
349.23737	1.9
350.24258	1.5
519.29199	5.6
530.39569	1.4
549.26617	4.1
555.06610	0.5
591.30945	0.4
611.46637	1.0
612.47021	3.8
630.48108	0.6
652.46881	0.4
729.42096	0.7
809.47809	2.7
827.49176	100.0
828.49359	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	0.6
61.02932	7.3
62.38229	0.6
64.90142	0.5
65.03947	1.3
67.05503	16.7
68.05844	1.7
69.03435	4.2
69.07071	6.0
69.29534	4.3
69.29948	1.1
71.01332	1.0
71.04998	1.5
72.34097	0.5
73.02909	4.9
76.62717	0.5
79.05496	10.7
79.05921	1.0
80.05823	1.5
81.03419	3.1
81.07058	17.2
82.07392	2.1
83.05003	2.2
83.08613	2.2
85.02905	6.9
91.03962	3.9
91.05483	9.0
92.05836	2.0
93.07045	11.2
94.07391	2.2
95.04980	2.4
95.08611	10.5
96.08961	1.5
97.02895	5.3
97.06559	1.2
97.10163	1.2
99.04468	1.4
99.08109	0.8
101.02395	1.8
105.07030	6.7
106.07375	1.2
107.04965	1.3
107.08591	5.6
108.08891	0.6
109.02892	0.7
109.06548	1.2
109.10157	4.4
110.10491	1.1
111.08090	0.9
117.07064	2.1
119.08576	5.0
120.08936	0.9
121.06488	0.6
121.10171	3.9
122.10410	0.8
123.08126	0.6
123.11749	1.5
127.03941	2.2
129.05496	0.6
129.07016	1.3
131.08543	3.2
131.28201	0.5
132.08946	1.2
133.06622	0.6
133.10141	4.6
134.10481	0.7
135.11697	3.3
143.08578	0.7
145.05101	0.6
145.10165	1.7
147.11737	2.0
149.13271	1.7
150.13670	0.7
157.10103	1.2
159.11710	1.8
161.09654	0.7
161.13306	1.3
163.11179	0.9
173.13289	0.7
174.13531	0.6
177.12674	0.6
183.11815	0.7
184.07417	0.9
185.13263	1.0
189.12784	0.6
212.52443	0.5
229.44409	0.6
243.08434	2.7
255.16017	1.1
263.23648	0.9
269.17578	2.4
270.17758	1.3
275.20169	2.1
276.20502	1.1
313.17850	2.3
331.18829	5.9
335.26047	1.8
336.26212	1.6
337.27332	5.5
338.27722	4.2
349.23837	0.7
350.24374	1.1
389.48779	0.6
517.39093	0.9
518.39630	1.6
519.29425	10.4
531.26166	1.4
531.40381	3.1
532.40790	5.5
549.26611	1.2
591.31348	0.7
612.47028	1.7
729.41461	2.9
758.42651	0.9
809.48071	14.0
810.48822	0.8
827.49158	100.0
828.49548	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	827.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68102	0.8
61.02927	4.1
67.05514	5.1
69.03433	2.2
69.07063	2.5
70.06300	3.0
71.04998	2.2
71.77815	1.1
73.02916	2.9
79.05488	4.0
81.03436	4.9
81.07060	5.8
83.04971	0.9
83.08634	1.1
85.02906	5.6
91.03951	2.4
91.05499	5.2
93.07030	4.4
95.04990	2.4
95.08617	2.5
95.96458	1.0
97.02908	4.7
97.06539	1.9
98.17737	0.8
99.04458	1.3
101.02406	2.0
105.07050	3.6
107.08629	1.4
109.02888	1.2
109.06538	0.8
109.10170	0.9
111.08138	1.0
113.09763	0.8
115.13718	0.9
117.07084	1.1
119.08539	2.2
121.06521	1.5
121.10169	2.0
123.08101	1.4
125.09685	0.8
127.03936	1.7
129.07054	1.4
131.08644	1.7
133.10124	2.2
139.03874	1.2
145.10210	1.1
147.11690	1.9
148.90422	0.9
149.09654	1.7
149.13399	0.9
153.01886	1.7
157.10236	1.8
175.11230	1.5
193.12251	1.4
202.07719	0.9
214.72490	0.9
243.08495	3.7
283.15228	1.8
297.96729	1.1
339.17825	1.3
349.20099	4.0
368.28491	1.0
474.10178	0.9
501.23251	10.4
567.27808	7.2
573.24719	1.1
635.06018	1.2
827.43933	100.0
828.44147	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	827.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67981	0.8
64.09783	0.9
67.05503	2.0
69.03432	1.7
69.07074	4.7
71.51218	1.1
71.51579	1.5
85.02903	2.0
94.06571	7.7
95.05009	1.2
97.02892	1.9
108.08132	2.9
110.06078	1.4
112.07636	2.4
114.71990	1.1
116.04965	1.1
118.06528	1.3
120.04512	1.0
122.06030	23.6
123.04451	1.0
124.07589	1.1
125.30273	0.9
134.06075	1.2
140.07069	42.5
144.04388	1.9
144.08076	1.0
146.06009	12.6
147.06728	0.9
148.07607	2.9
152.07037	1.7
153.01825	4.1
158.40521	1.0
162.05528	2.2
164.07111	1.3
172.02531	1.6
172.03941	20.3
173.04726	3.2
174.03969	1.1
174.05508	22.4
176.07072	10.5
178.08562	1.0
190.05014	5.6
191.05806	1.3
192.06531	2.4
198.09221	2.0
199.08684	2.9
201.10265	1.4
204.06563	38.0
206.08154	10.4
211.08739	1.6
213.10266	2.6
215.11798	3.9
225.10229	3.6
226.08534	1.6
226.10835	0.9
227.11841	1.4
229.13431	2.1
237.10255	2.3
238.11035	1.1
239.08141	1.6
239.11926	1.9
240.12411	1.3
241.09715	2.1
243.11299	22.2
243.15189	1.0
248.09511	2.0
249.10287	6.2
251.11816	3.7
255.11282	2.3
256.11945	1.3
257.12839	2.5
261.12469	2.6
262.11075	1.6
263.11807	25.4
264.12573	3.2
265.09677	3.9
265.13416	2.8
266.10608	1.4
267.11282	2.6
269.09198	1.9
270.10156	1.2
271.10904	1.4
275.13907	1.4
277.09747	6.6
278.10474	1.0
279.11255	10.5
280.12039	3.0
281.09372	1.1
283.10797	4.8
284.11469	1.7
285.12357	22.2
287.10675	1.7
287.13974	3.1
290.10342	1.6
291.11273	12.0
292.12115	2.6
293.12814	1.4
295.10687	7.3
297.12384	1.8
298.13287	0.9
299.10291	4.6
299.13684	1.7
301.11990	1.2
302.13290	1.0
303.13388	44.3
304.14151	2.2
307.10797	1.6
308.11441	1.9
309.12335	15.5
310.13092	2.0
311.10236	1.7
311.13876	2.2
313.11804	29.5
315.13971	1.0
316.11005	1.2
316.14307	2.0
317.15240	1.1
318.09973	2.3
318.15878	2.3
319.16876	1.6
321.14825	1.5
323.10236	3.0
323.13852	20.2
325.11823	1.3
327.13589	2.1
330.12375	3.0
330.16068	1.1
331.12848	7.6
331.16312	1.5
332.13666	1.2
332.17444	1.3
335.10184	1.2
336.11053	13.5
337.11838	7.3
338.12582	1.8
339.13834	1.6
341.15225	1.7
343.13727	1.8
344.14075	3.6
345.14511	27.8
346.15625	5.6
347.16312	3.2
352.14255	1.0
353.11368	1.4
354.12424	1.3
355.13019	3.6
356.13983	2.3
357.10846	1.1
358.15778	2.2
360.17062	3.4
363.15674	1.4
367.12848	7.9
368.13681	18.3
369.14526	19.2
370.12411	1.0
370.15421	7.7
371.12683	2.8
372.13300	8.1
372.17239	1.1
373.14087	3.9
374.15012	5.8
376.16528	1.2
378.18015	1.2
386.14908	8.4
387.15961	7.1
388.16653	7.1
396.13901	1.0
398.14905	1.6
400.12268	1.2
400.16916	2.0
402.14291	3.0
404.16064	3.9
405.16849	2.0
406.17548	4.7
414.14435	9.1
415.15289	17.0
416.16040	21.9
418.17758	2.1
428.15927	2.9
429.16937	2.3
430.17801	4.6
432.15533	4.0
433.16281	5.4
434.17175	6.0
446.17215	6.5
447.17676	2.6
456.15521	5.4
457.16336	3.3
458.17105	2.1
460.15021	1.6
465.18674	4.3
474.16641	21.5
475.17468	13.7
476.18265	5.3
478.19962	6.1
489.18726	2.2
494.19116	2.6
506.19183	3.2
507.19946	1.1
508.20862	24.9
509.21204	1.5
510.22382	27.8
526.21899	4.1
571.25403	2.1
573.22900	3.3
597.23370	5.8
615.24506	100.0
616.24530	5.0
629.25684	3.9
633.25690	2.7
636.21722	1.3
637.21979	1.1
647.27161	14.0
665.28253	4.5
759.28174	2.2
777.29517	9.2
809.32550	1.6
827.33459	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	1.8
60.08156	1.1
61.02928	9.7
65.03933	1.0
66.57205	0.6
67.05508	54.6
69.03428	1.8
69.07072	5.3
69.95969	1.4
69.96366	1.3
71.04990	2.1
71.07350	0.9
71.08635	13.8
73.02914	2.3
79.05486	2.7
81.07059	13.2
83.08629	8.5
85.02911	11.2
85.06545	2.3
85.10184	8.3
86.09702	5.4
91.03963	7.9
91.05483	4.1
93.07038	4.2
95.08611	11.8
96.88013	0.7
97.02898	5.6
97.03918	0.6
97.06519	0.7
97.10155	1.7
98.20866	0.7
98.98505	0.6
99.04425	0.8
99.11789	0.8
103.07567	1.0
105.07054	0.9
107.08601	2.1
109.10165	54.0
110.10418	0.7
111.08122	1.9
111.11787	0.8
115.03974	0.8
119.08589	3.4
121.10105	1.0
123.11738	1.6
125.00005	3.7
127.03944	3.0
135.11644	0.9
137.09654	2.3
137.13268	1.2
143.81573	0.6
145.04988	3.0
155.10622	5.4
163.06012	5.2
173.11751	14.5
176.20731	0.7
181.90758	0.6
184.07344	17.1
185.07906	0.7
186.55069	0.7
198.85785	0.6
229.14366	100.0
230.14566	1.4
239.23691	1.6
257.24799	1.3
269.16986	0.7
313.27374	75.6
314.27789	1.4
350.62402	0.7
467.37366	66.4
468.37631	2.3
616.79523	0.7
644.99561	0.7
826.47974	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	827.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13097	0.9
67.05495	1.8
69.03426	2.1
69.07055	3.5
69.31452	5.1
69.31869	2.9
70.06583	3.0
76.50979	1.0
79.05454	1.4
84.08128	1.0
85.02892	2.6
86.09708	1.6
91.05451	1.4
94.06554	6.1
95.04990	1.4
97.02879	2.1
98.21607	1.1
108.08093	1.4
109.02884	1.7
112.07599	1.4
114.96832	1.0
116.05022	1.0
120.08070	1.3
121.06504	4.3
122.06033	22.9
123.04393	1.3
124.07664	1.2
124.60279	1.0
134.06009	1.4
140.07065	33.0
144.04420	2.1
144.38039	1.0
146.06004	12.9
148.07579	3.2
151.03911	50.0
151.04985	2.1
152.04233	5.0
152.07039	1.4
153.01804	3.9
162.05495	2.3
172.03946	19.4
173.04665	1.7
174.05511	19.6
176.07063	10.2
190.05070	5.3
191.05696	1.0
192.06575	1.7
198.09235	2.1
199.08742	1.2
204.06557	36.0
205.07173	1.3
206.08104	9.6
213.10265	2.1
213.69547	1.0
215.11774	3.9
225.10217	3.5
226.08742	1.4
227.08125	1.4
227.11879	1.3
229.13560	1.7
238.11024	1.4
239.11787	2.8
241.09683	2.2
243.11290	17.5
249.10178	1.4
251.12079	1.6
255.11272	2.0
257.09311	1.2
257.12811	1.2
259.10718	1.3
261.12469	1.3
263.07950	1.5
264.08740	1.2
265.09735	2.1
267.11221	1.9
269.09329	1.7
271.10703	2.4
279.11209	1.6
283.10754	4.2
284.11417	2.1
285.12360	22.5
287.10300	3.5
287.13904	3.3
297.12466	1.2
299.10144	3.4
300.11966	1.0
301.11948	3.3
302.12982	1.7
303.05038	5.5
303.13400	34.6
304.05099	1.2
304.13910	2.0
311.10141	1.1
313.11807	31.0
313.15472	1.8
316.10800	1.9
318.16110	2.1
319.16595	2.1
323.10358	1.1
329.12015	1.3
330.12347	1.9
331.12946	5.9
332.13922	2.0
332.17651	1.8
343.13586	1.5
344.13931	2.9
345.14468	26.5
346.15320	3.9
347.16220	3.0
356.13968	1.8
358.15488	2.8
359.12592	1.5
360.17157	3.1
363.15720	2.0
368.13910	1.1
370.11566	1.1
372.13254	4.8
373.14172	3.4
374.14923	3.7
386.15036	7.3
387.15863	6.5
388.16537	6.3
397.14407	1.1
400.12494	2.1
401.13443	2.1
402.14142	2.2
403.15482	1.2
404.16064	2.6
405.16858	1.9
406.17746	6.2
414.14392	7.7
415.15332	15.5
416.16013	22.5
418.17896	1.4
419.13547	1.0
423.10648	1.9
428.16052	3.1
429.16797	1.7
430.17676	4.8
431.18457	1.2
432.15363	2.5
433.16330	5.1
434.17175	5.7
438.14139	1.0
440.13330	9.0
441.13699	1.0
446.17041	8.5
447.17697	3.1
456.15738	5.2
457.15894	2.3
460.14969	2.7
465.18375	5.5
474.10248	1.6
474.16632	18.2
474.23349	0.8
475.17294	10.7
476.17981	4.1
506.19052	3.1
507.19910	1.7
573.23279	3.5
597.23590	5.2
615.24487	100.0
616.25000	7.0
629.25433	1.3
647.27130	17.2
648.27179	1.0
722.35486	1.2
759.27588	1.3
777.29767	12.3
809.31787	2.6
839.32538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59616	2.3
59.65668	2.2
65.03944	4.9
67.05507	100.0
69.03416	8.4
69.07072	45.0
69.26543	6.4
69.26960	15.6
70.92222	2.2
71.04974	6.1
79.05493	50.2
81.03403	8.2
81.07058	91.9
83.04956	7.4
83.08629	19.4
85.02909	3.6
85.06540	4.5
85.56109	2.6
88.51277	2.3
91.05485	43.3
93.07047	52.6
94.07387	3.1
95.04961	11.2
95.08609	59.5
96.08890	2.3
97.02885	8.5
97.06533	4.9
97.10167	13.2
98.20808	5.2
98.59399	2.2
99.08067	3.0
105.07031	33.6
107.04965	5.9
107.08597	33.3
109.06536	6.1
109.10164	31.7
111.08087	5.4
115.86813	2.2
117.07040	14.4
119.04929	3.2
119.08576	26.9
121.06516	6.4
121.10148	14.8
123.08063	6.0
123.11716	9.0
125.09631	9.2
129.07014	4.6
130.60316	2.4
131.08575	15.8
133.10150	25.9
134.10437	3.1
135.08057	3.5
135.11694	10.2
137.09653	4.1
139.11143	4.1
142.85617	2.9
143.08592	4.4
145.10126	11.8
147.08055	4.4
147.11703	11.6
149.09619	5.9
149.13268	10.0
151.11133	4.4
159.11700	8.1
161.13283	9.8
163.11179	6.5
171.11674	3.3
173.13255	5.8
175.14851	3.9
185.13188	3.4
187.14902	3.5
189.11171	3.0
199.14856	2.4
223.13281	14.7
227.12698	4.6
231.17595	2.2
231.21092	2.3
241.19560	3.2
253.14354	11.7
254.14758	3.8
259.20624	6.3
261.22049	3.6
269.17450	4.5
273.18481	17.1
275.20016	5.2
291.19559	78.6
292.19916	4.2
333.24188	5.4
335.25775	28.2
336.26242	2.3
337.27359	92.3
338.27765	3.6
347.22208	3.5
349.23651	3.3
365.23199	46.9
397.49692	2.3
524.57495	2.5
529.38843	12.9
594.03278	2.6
609.45026	6.7
611.46564	4.8
627.46191	99.0
628.46674	3.6
661.23346	2.6
724.02380	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	824.552
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	5.0
66.79930	2.9
67.05505	49.3
68.84473	3.0
69.03414	4.3
69.07080	20.6
70.63385	9.3
71.04995	5.1
79.05505	52.7
81.07059	53.2
83.08607	11.5
91.05484	63.6
93.07047	54.7
95.04979	7.9
95.08613	42.0
97.06537	4.0
97.10159	5.3
105.07036	64.9
107.04961	4.6
107.08611	32.3
109.06511	5.2
109.10165	17.5
117.07022	27.9
119.08582	40.4
121.10130	19.8
123.11694	5.0
125.94958	3.7
128.06232	3.1
129.07040	17.5
130.08653	3.6
131.08569	32.8
133.10156	33.3
135.11726	15.8
141.06956	6.2
142.07747	4.6
143.08559	19.4
145.06357	3.2
145.10146	31.4
146.10500	2.8
147.11703	18.8
148.66522	3.0
149.13229	4.8
155.08505	14.8
157.10144	19.1
159.11673	19.8
161.13232	9.4
167.08594	5.7
169.10152	14.2
171.11746	21.8
173.13260	16.6
180.09348	3.5
181.10205	7.2
183.11757	17.5
184.07384	6.8
185.13287	12.0
187.14763	3.8
193.10179	4.8
195.11732	10.3
197.13258	14.4
199.14828	7.1
209.13287	5.9
211.14754	10.2
223.14685	4.9
225.16428	5.3
227.18039	5.3
229.19579	3.3
235.14792	3.1
237.16396	3.9
239.17886	6.9
241.19470	3.8
244.00523	3.4
256.72855	3.3
257.19022	5.7
259.20670	6.8
326.59781	3.9
331.22626	3.5
333.24094	7.4
335.25934	3.7
347.24463	3.6
351.26837	4.6
517.40430	10.0
535.41553	7.5
591.43781	7.8
609.45154	100.0
610.45020	6.2
700.08173	3.6
712.32336	3.1
825.46832	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	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	5.8
66.91812	1.8
67.05507	80.0
69.03419	7.7
69.07071	24.3
71.04984	4.2
79.05496	91.5
81.03417	5.2
81.06592	4.4
81.07059	72.8
83.04984	7.5
83.08629	26.3
85.02932	4.4
85.06539	3.8
87.04477	2.4
91.05486	53.9
93.06487	3.5
93.07051	62.9
95.04980	7.7
95.08617	49.0
97.02918	3.1
97.06538	5.1
97.10172	50.1
105.04472	2.7
105.07037	40.6
105.12872	2.2
107.04956	3.9
107.08601	89.7
109.06512	5.2
109.10158	28.4
111.08122	3.3
115.05468	2.2
117.07024	17.2
119.08591	25.3
121.10153	21.3
123.08036	3.6
123.11712	6.5
125.09634	44.0
125.40232	2.0
126.10004	2.2
127.03926	4.4
129.06992	4.0
131.08588	21.7
133.10141	26.2
135.08051	5.7
135.11696	15.7
137.09708	1.7
141.07040	2.4
143.08540	5.7
143.10707	1.9
145.10144	21.5
147.11691	15.6
149.09657	10.7
149.13261	9.1
155.08620	2.4
157.10132	3.3
159.11687	13.1
161.13240	7.2
163.11200	3.9
163.14833	3.7
169.10069	2.8
171.10146	7.5
171.11664	5.9
173.11772	2.5
173.13257	6.7
175.11256	1.9
175.14761	3.3
179.14029	2.1
183.11707	3.1
185.13225	4.0
187.13237	2.4
187.14796	2.9
189.11197	21.1
197.13356	3.1
217.06108	2.1
227.12793	59.5
229.19518	2.7
243.21098	2.9
245.13837	4.6
257.19128	10.5
259.20624	7.1
261.22122	18.4
275.20081	39.2
293.21313	2.6
299.23929	2.0
317.24823	2.7
331.22620	4.3
333.24380	4.0
335.25815	100.0
336.26129	3.6
349.23764	47.4
389.17960	4.5
425.57190	2.2
487.33838	3.8
494.16577	2.1
505.35202	25.9
535.40997	3.5
609.45148	89.4
610.45410	6.3
627.46478	14.2
628.69171	2.0
649.39087	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	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44702	0.9
61.02926	6.2
65.03946	6.4
66.04744	0.8
67.05508	95.3
68.05836	0.9
69.03429	11.7
69.07075	32.2
69.08061	1.0
69.15252	3.4
69.15678	5.8
71.01331	1.1
71.04999	6.0
71.08630	2.0
73.02921	2.3
77.03936	1.8
79.05496	86.5
80.66052	1.0
81.03420	10.5
81.07061	100.0
82.07390	1.1
83.04985	11.2
83.08629	13.6
85.02909	8.6
85.06540	3.2
91.03972	2.0
91.05486	69.7
93.07048	90.3
95.04979	12.9
95.08612	63.0
97.02890	8.8
97.06548	9.7
97.10172	4.4
98.09677	1.8
99.04455	1.6
99.08104	4.3
99.51553	1.0
101.06071	0.9
103.05511	1.1
105.04520	3.4
105.07036	58.1
107.04951	3.6
107.08602	43.8
109.02876	2.3
109.06516	5.9
109.10161	22.3
111.04434	2.5
111.08121	4.7
113.09637	1.2
115.05446	2.6
116.06255	1.3
117.07024	20.8
119.08591	42.5
119.14919	1.0
121.06503	2.4
121.10150	33.8
122.38967	0.8
123.08053	4.7
123.11671	5.0
125.09632	2.8
127.03922	4.8
128.06224	3.1
129.05489	3.9
129.07010	10.6
130.07713	1.4
130.55167	1.0
131.08577	27.0
133.06444	1.7
133.10143	32.0
135.08054	3.2
135.11696	21.8
137.09596	2.9
137.13235	1.4
139.11240	1.2
141.06905	1.5
142.07732	1.8
143.03714	1.0
143.08559	8.8
145.04973	2.2
145.10124	20.5
147.08009	1.5
147.11693	21.5
149.09647	6.4
149.13269	15.8
151.11160	2.4
155.08580	3.4
156.09338	1.0
157.10124	5.9
159.11702	21.8
161.09703	1.2
161.13255	14.9
163.11163	3.8
163.14795	2.8
165.12743	1.2
169.10132	2.9
171.11671	9.1
173.04500	1.2
173.13261	12.3
175.11110	1.1
175.14818	4.9
177.12764	3.1
177.16335	1.0
179.14311	1.6
183.11656	2.7
185.13330	5.3
187.14812	3.7
189.16502	1.7
195.13820	4.3
197.13237	1.0
199.14847	3.1
201.16330	2.1
211.14821	1.2
213.16420	1.8
227.12749	1.0
229.19566	1.8
231.21172	1.9
239.17915	2.8
241.19534	8.9
243.21054	2.8
257.19052	5.1
258.37332	0.9
259.18030	1.8
259.20587	22.7
261.22104	9.4
269.17459	8.7
275.20102	10.4
277.21808	1.2
281.17511	1.4
293.21167	1.1
309.42703	0.9
315.23120	3.0
331.22720	1.4
333.24277	18.2
335.25821	67.7
336.26157	2.1
337.27243	2.2
349.23990	5.2
420.63495	1.2
437.34558	1.0
476.59680	0.9
489.35522	1.1
515.37402	2.1
519.42114	1.0
529.38885	29.7
530.38818	1.3
537.42798	1.1
541.38898	3.4
593.45428	3.9
609.44824	3.3
611.37726	1.1
611.46735	18.2
623.15717	1.0
627.45734	1.5
775.35059	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	6.6
67.05508	84.5
69.03426	10.6
69.06728	2.4
69.07068	28.4
70.91123	2.2
70.91444	2.3
71.04984	5.9
79.05497	65.1
81.03406	8.5
81.07058	86.6
82.07352	1.9
83.04980	10.2
83.08615	15.6
85.02892	5.7
85.06518	2.2
91.05487	51.3
93.07048	71.1
95.04962	9.1
95.08607	50.7
97.02898	6.7
97.06533	11.2
97.10168	4.6
99.04428	2.0
99.08117	3.2
105.06327	1.9
105.07035	33.3
106.02558	1.7
107.04948	6.8
107.08601	38.5
109.02892	1.9
109.06519	5.9
109.10177	16.6
111.08064	3.4
117.07027	17.4
119.08578	24.1
121.06510	3.5
121.10150	24.6
123.08055	3.8
123.11697	6.8
125.09605	2.9
127.03905	2.9
129.07004	5.7
130.07832	1.9
131.08571	24.0
133.10124	20.1
135.08035	3.8
135.11693	19.8
137.09584	2.6
141.06999	1.9
143.08539	5.6
145.10120	17.2
147.07999	2.4
147.11693	9.6
149.09656	9.7
149.13274	14.7
157.10165	5.0
159.11673	12.9
161.13263	7.0
163.11151	4.6
167.88933	1.8
169.10101	3.1
171.11685	4.5
173.13240	8.1
175.14752	2.9
177.12775	5.0
183.11563	2.9
187.14859	3.3
195.13832	4.0
199.14746	1.7
211.14868	2.5
239.18019	2.6
243.21175	2.2
255.15955	6.8
257.18918	5.6
259.20633	2.1
261.22131	9.9
269.17447	19.5
275.20062	19.7
333.24252	2.5
335.25803	100.0
336.26028	2.5
349.23727	18.1
367.25098	2.3
398.53354	1.5
515.37408	17.6
529.38922	67.4
530.39075	3.3
609.45099	22.1
627.45703	7.1
673.43054	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09503	2.1
65.03927	5.3
67.05508	100.0
69.03411	8.5
69.07078	27.8
69.28442	5.1
69.28850	10.5
70.06579	1.9
70.47399	1.8
71.05005	5.3
79.05502	53.2
81.03399	10.1
81.07063	97.2
83.04985	9.0
83.08626	15.7
85.02907	2.8
85.06512	5.2
91.05488	59.2
93.06482	3.1
93.07048	48.8
94.07387	1.8
95.04964	12.1
95.08614	53.4
96.08946	2.1
97.02838	2.5
97.06506	8.9
97.10165	5.4
99.04413	2.8
99.08068	2.0
103.05450	2.8
105.07039	46.1
106.07319	2.6
107.04954	8.9
107.08602	39.6
109.06535	10.2
109.09472	3.3
109.10175	48.6
111.08080	4.6
113.05997	2.9
117.07020	10.4
119.07938	2.0
119.08598	21.9
121.06503	10.5
121.10147	19.5
122.06950	2.0
123.08092	3.9
123.11728	9.3
125.00028	2.5
125.09630	3.3
126.75835	1.6
127.92724	1.7
129.06989	5.7
131.08583	15.6
133.06525	3.3
133.10136	56.1
135.08075	4.6
135.11691	9.7
137.09627	2.7
143.08527	5.3
143.85059	1.9
145.10164	9.5
147.08054	5.2
147.11665	12.3
149.09608	7.4
149.13254	6.3
151.11183	17.4
157.10107	3.5
157.18092	1.8
159.11693	7.9
161.09595	2.9
161.13263	4.2
163.11234	3.5
163.14798	2.7
166.47617	2.0
169.10138	2.6
169.12227	2.1
171.11647	2.4
173.13271	3.3
175.11223	3.5
175.14854	3.2
177.16290	1.8
179.10675	2.5
184.07329	6.6
187.14841	2.4
189.12787	2.1
199.11348	1.8
199.14882	2.9
245.18921	4.0
251.12840	2.3
253.14360	57.8
254.14517	2.4
255.17551	2.3
259.20633	5.3
261.22345	2.7
262.56342	2.0
263.20114	2.4
271.15338	2.0
273.18506	21.6
275.20001	3.6
291.19565	27.6
292.19827	2.0
309.20435	3.1
333.24271	3.7
335.25803	18.6
336.25873	2.0
337.27429	48.2
338.27899	2.1
347.22107	6.8
349.23697	3.8
365.23169	27.9
381.28656	1.9
529.38672	5.7
533.38501	14.0
609.44849	7.4
618.31250	1.9
627.46167	62.1
628.46204	4.5
738.47864	2.1
782.11011	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	7.7
62.87774	1.7
65.03937	3.0
67.05508	48.9
67.78273	1.6
69.07076	30.4
69.17461	10.7
69.17879	6.3
71.04989	2.9
72.37083	1.5
78.54716	1.5
79.05496	46.1
81.03413	8.2
81.06592	3.4
81.07060	61.9
82.89006	1.6
83.04967	6.8
83.08612	7.4
85.06533	2.8
91.05484	84.0
91.34063	1.7
92.05782	2.2
93.07045	47.2
93.99014	1.6
94.44432	1.8
95.01310	9.0
95.04964	11.2
95.08608	38.5
97.06536	16.4
97.10160	2.0
98.62639	1.6
103.05463	4.0
105.07034	100.0
107.04947	14.9
107.08599	23.6
109.06493	4.7
109.10169	10.0
115.05473	2.8
117.07010	22.7
119.08587	55.6
121.06505	3.0
121.10128	14.3
123.04449	2.5
123.08047	4.6
123.11681	2.9
125.09562	1.9
129.06981	7.3
130.07857	2.0
131.08565	32.7
133.10138	51.5
135.08058	4.4
135.11684	10.6
137.09627	2.6
139.07527	2.2
141.07056	2.6
143.08531	9.9
144.09341	2.5
145.10124	21.5
147.08058	2.5
147.11691	28.0
149.09595	7.5
149.13271	6.6
155.08545	2.7
157.10138	6.2
159.11676	17.3
161.13261	15.6
162.70003	1.6
163.11148	3.7
163.14839	2.1
171.10384	1.9
171.11728	7.5
173.13271	6.0
175.14835	7.1
177.12753	3.6
179.14294	10.7
183.11737	2.1
185.13258	4.0
187.11205	3.9
187.14827	3.0
188.24402	2.0
197.13405	2.6
199.14851	2.1
205.12189	2.1
213.16365	2.5
219.17448	2.2
239.17902	2.5
241.19560	15.9
257.18973	5.3
259.20566	23.3
275.20047	62.0
276.20462	2.0
293.21164	4.8
315.23352	9.2
327.13382	1.8
333.24237	49.5
334.24484	2.9
349.23700	44.0
607.43579	90.3
608.43829	5.2
615.32404	2.0
625.44617	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	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.6
57.07096	1.9
61.02916	2.0
65.03941	4.4
65.72377	1.4
65.83360	1.6
67.05512	80.8
69.03436	5.8
69.07073	19.8
71.04996	4.9
71.28944	2.5
76.35070	1.3
79.05503	56.0
81.03419	5.9
81.07066	73.6
83.05009	8.5
83.08640	8.9
85.02934	2.7
85.06538	6.3
91.05492	55.1
93.07056	62.1
95.04966	10.2
95.08619	41.4
95.09248	1.6
97.02940	1.6
97.06557	6.8
97.10178	3.5
99.08106	2.0
105.04565	1.5
105.07037	46.7
107.04957	5.6
107.08611	45.7
109.06544	9.1
109.10165	52.4
111.04466	2.1
111.08104	3.2
113.06022	3.2
117.07019	8.8
119.08601	19.9
120.69188	1.7
121.06522	5.8
121.10167	16.8
123.08084	4.5
123.11731	11.2
125.09650	2.6
127.07579	2.6
128.06210	2.4
129.06984	3.7
131.08585	17.5
133.06511	3.0
133.10144	64.7
135.08063	5.7
135.11690	13.2
137.09590	2.0
141.07024	2.1
143.08578	5.5
145.10161	10.4
147.08109	2.6
147.11710	6.7
149.09644	6.2
149.13260	4.8
151.11197	27.3
157.10208	1.5
159.08099	3.0
159.11745	7.6
161.09659	5.8
161.13280	4.4
163.11166	2.4
163.14894	2.1
165.12840	1.7
168.39967	1.3
169.12233	6.7
171.11679	5.2
173.13295	2.7
175.11209	2.1
175.14777	2.9
177.09093	2.0
177.12654	2.0
179.10611	1.7
181.10272	2.0
187.14813	2.4
189.12682	1.7
201.16425	2.5
207.13847	1.7
215.12807	2.9
227.18143	2.1
243.21121	3.8
245.19157	3.8
251.12848	3.7
253.14378	100.0
254.14873	1.7
255.17514	1.5
259.20786	2.1
261.22180	12.7
263.20139	3.8
273.18527	19.4
291.19580	23.0
317.24811	2.2
335.25830	95.2
336.26309	1.5
347.22195	7.6
365.23264	34.6
377.92767	1.4
385.47794	1.5
439.31934	2.0
513.35730	7.1
529.35394	3.9
531.36871	32.4
532.36853	1.8
607.43616	5.2
625.44659	63.1
626.44800	4.4
710.67230	1.7
763.74939	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	11.2
57.07066	3.1
61.02948	1.3
65.03942	5.6
67.05510	99.9
69.03439	8.0
69.07077	24.9
70.76315	3.9
71.05011	6.8
71.52696	1.2
71.90193	1.2
76.20024	1.2
76.48492	1.2
77.03947	1.7
79.05501	70.8
81.03426	8.9
81.07062	99.5
83.04982	13.3
83.08626	13.0
85.02884	2.7
85.06542	8.0
91.05487	74.7
93.07051	74.5
95.04986	15.6
95.08616	48.0
97.02917	3.1
97.06535	8.1
97.10175	4.5
97.16991	1.4
99.04449	2.9
103.05448	2.3
105.04584	1.9
105.07038	64.3
107.04972	12.0
107.08604	53.0
109.06541	8.7
109.10167	60.5
109.10927	1.6
111.04450	2.3
111.08074	3.8
113.06037	1.8
115.05495	2.3
117.07043	14.4
119.08584	21.9
121.06524	9.7
121.09313	2.6
121.10147	25.9
123.04448	2.0
123.08073	6.4
123.11736	11.8
125.09646	3.3
127.07577	1.6
128.06210	3.0
129.07024	6.2
131.08568	20.4
133.06531	9.0
133.10141	79.0
135.08057	10.7
135.11696	16.7
137.09631	5.1
143.08531	7.7
145.10129	15.7
147.08060	7.5
147.11702	9.9
149.09637	7.6
149.13258	5.5
151.11186	35.2
153.12723	1.4
155.08546	1.7
157.10129	4.1
159.08055	3.3
159.11714	9.1
161.09625	9.9
161.13287	6.0
163.11247	3.0
163.14847	2.6
165.12779	1.7
169.10083	1.7
169.12279	5.3
171.11720	5.2
173.09724	1.3
173.13188	6.4
175.11218	7.6
175.14821	2.2
177.09134	3.6
177.12766	1.6
179.98244	1.2
185.09782	2.2
185.13225	2.4
187.11156	2.4
187.14789	2.7
189.12738	2.8
193.12151	2.0
197.11646	1.8
203.14388	1.4
205.12216	2.0
213.16386	2.0
215.12822	4.8
221.21979	1.5
223.13268	1.7
227.18011	1.5
237.16455	1.9
243.21072	5.0
245.19055	9.0
251.12825	5.0
253.14381	100.0
255.17520	3.1
259.20523	2.2
261.22198	15.6
263.20074	7.4
271.15408	3.8
273.18530	44.2
274.18808	1.4
275.19968	2.0
289.21487	1.5
291.19571	44.0
291.22913	2.2
292.20038	2.7
309.20615	4.6
317.24658	3.3
335.25827	72.7
336.26245	3.1
347.22235	17.4
349.23758	1.7
357.81097	1.2
365.23257	54.3
367.24997	1.3
421.31595	1.7
457.33521	1.8
492.16562	1.4
513.35809	8.0
529.34973	3.1
531.36823	16.3
607.44098	6.7
625.44678	84.6
626.44751	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	822.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	13.0
60.30195	1.9
61.02924	5.5
65.03947	5.0
67.05508	55.9
68.05821	1.9
69.03436	6.7
69.07073	25.8
69.24340	19.4
70.06601	2.3
71.04981	8.8
71.63225	2.4
73.02917	3.3
75.29057	2.0
77.03900	1.9
79.05495	60.2
81.03425	86.2
81.07062	82.4
83.04989	18.8
83.08618	36.4
84.08131	5.1
85.02881	7.9
85.06525	4.3
91.05488	46.9
93.06497	2.7
93.07053	42.7
95.04970	35.2
95.08618	22.7
97.02889	4.3
97.06532	15.0
97.10180	25.7
99.04457	4.1
99.08084	2.8
103.05447	3.5
105.06396	3.5
105.07037	37.8
107.04964	15.9
107.08600	35.0
109.06524	13.9
109.10151	17.1
111.04453	14.8
111.08072	12.6
115.05479	3.0
117.07031	16.0
119.04884	2.7
119.08588	31.5
121.06496	12.8
121.10161	17.2
123.04439	2.2
123.08072	21.4
123.11688	3.6
125.09639	23.4
126.05552	3.9
128.06227	3.5
129.06990	19.5
130.08643	6.8
131.08572	25.0
133.06479	6.2
133.10150	18.6
135.08052	10.0
135.11690	12.7
137.06012	2.4
137.09631	5.7
139.79665	2.3
141.07014	3.5
142.07719	1.9
143.08557	7.5
145.06444	3.4
145.10136	19.9
147.08073	11.8
147.11681	13.9
149.09589	11.0
149.13251	6.9
151.11336	2.2
153.01816	3.7
153.09152	4.9
153.12720	9.2
155.08530	3.8
157.10135	12.3
159.08098	3.6
159.11685	11.1
161.09650	7.8
161.13234	3.5
163.07654	2.6
163.11206	20.0
165.09105	4.4
167.07022	4.0
169.10248	2.2
171.10262	3.5
171.11751	5.5
173.09593	4.7
173.11766	2.4
175.11217	10.1
177.12981	2.1
181.12186	6.6
185.13306	3.7
187.11133	3.5
187.14795	2.8
189.11220	10.6
189.12703	2.3
191.10664	6.3
193.12263	28.4
195.11850	2.3
195.13815	3.2
199.11185	2.5
204.08665	3.2
205.12234	3.0
213.12779	2.4
219.13814	7.9
223.13234	3.4
227.12827	13.6
229.14381	5.9
245.19104	2.8
249.14792	2.6
255.17422	4.3
267.15924	92.3
269.17639	9.6
273.18484	28.6
283.15311	2.6
291.19516	50.2
309.20581	8.2
313.21494	3.8
313.44931	2.2
324.51331	2.2
347.22235	8.1
365.23193	28.6
369.23947	2.6
383.24332	22.8
403.24673	2.3
407.24240	2.5
433.25754	3.4
445.29462	4.5
447.28287	5.8
461.29077	3.6
463.30640	47.4
465.29745	9.0
483.30838	8.0
539.33557	21.3
557.34760	100.0
558.34814	6.4
575.35803	65.5
589.36743	3.2
607.34613	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	821.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	15.3
57.07077	5.0
61.02923	7.4
65.03946	5.8
66.88864	2.9
67.05182	5.1
67.05513	77.7
68.05833	4.7
69.03426	12.3
69.07076	30.4
71.04985	6.6
71.51314	3.5
74.73137	3.5
79.05499	73.1
81.03433	18.3
81.07063	100.0
83.04992	15.5
83.08635	21.4
85.02907	8.7
85.06542	7.0
91.05488	68.2
93.07049	73.7
94.07396	5.0
95.04974	24.3
95.08617	54.0
97.02887	10.1
97.06541	19.3
97.10181	11.9
99.04427	5.0
99.08146	4.2
103.05473	3.3
105.07040	64.2
107.04977	15.4
107.08607	56.3
109.02907	5.4
109.05891	2.9
109.06557	18.1
109.07189	2.5
109.10168	29.4
111.04453	7.1
111.08085	6.3
115.05463	5.1
117.07031	23.7
119.08588	46.2
121.06490	10.4
121.10159	22.6
123.04432	3.6
123.08067	11.5
123.11707	8.9
125.09630	10.3
127.03952	5.0
129.07008	11.1
131.08577	30.4
133.06528	4.7
133.10123	40.7
135.08069	8.0
135.11682	11.3
137.09610	10.5
143.08577	10.3
145.10121	22.0
147.08066	4.2
147.11693	20.1
149.09651	16.4
149.13283	10.1
151.11194	7.8
155.08543	6.5
157.10107	10.1
159.11697	13.8
161.13245	4.6
163.11198	15.1
169.10162	7.3
171.11597	3.6
173.09616	3.6
173.13298	11.3
173.33324	3.1
175.11319	3.2
177.12846	4.6
183.11716	5.6
185.13309	7.9
187.11194	4.1
187.14865	5.3
189.11342	4.9
190.83575	3.8
191.10666	4.0
195.13821	4.2
203.14261	3.6
223.13374	7.2
227.12778	13.1
229.14372	7.2
229.19478	5.9
239.18008	5.6
247.20619	4.9
253.14384	5.1
257.18997	12.4
269.17468	16.8
273.18457	5.4
275.20081	71.0
276.20410	5.3
277.21463	3.9
292.19592	4.2
293.21014	13.5
331.22565	4.4
349.20450	4.0
349.23877	40.9
351.25037	3.8
367.24738	9.5
430.59592	3.6
445.53738	3.3
463.30219	4.3
520.31750	3.3
543.36829	32.0
561.37787	8.0
595.76453	4.3
623.42920	19.4
641.43652	13.5
659.45099	14.5
821.51349	9.6
822.51471	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	821.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	23.7
65.03947	9.0
67.05180	6.9
67.05508	100.0
69.03442	4.5
69.07069	19.0
71.01335	4.9
71.05002	6.1
79.05067	7.2
79.05497	97.4
81.03421	13.3
81.07060	81.8
83.04985	26.4
83.08620	9.2
85.06538	7.4
86.09716	9.3
91.05486	73.2
93.07049	68.5
95.04967	50.8
95.08610	60.4
96.05769	3.5
96.19167	3.5
97.02885	10.2
97.06539	7.9
98.07281	4.7
99.04393	3.7
103.05463	5.4
105.07037	53.4
107.04951	57.9
107.08610	31.6
109.06541	27.0
109.10157	24.7
111.08065	6.2
112.05220	7.5
113.05979	5.8
115.05442	7.0
117.07011	31.4
119.04961	7.6
119.08585	30.4
121.06520	17.4
121.10151	21.9
122.07304	16.9
123.04468	6.4
123.08053	9.0
123.11709	3.9
124.99954	6.5
128.06233	9.8
129.07021	11.8
131.08575	24.6
133.06500	26.5
133.10146	13.5
135.08064	17.4
135.11700	15.4
137.09610	4.8
141.07014	7.8
143.08598	10.9
145.06520	9.5
145.10153	20.3
147.08054	32.7
147.11694	12.0
149.13239	4.8
155.08531	4.4
157.10207	7.6
159.08078	11.0
159.11705	14.3
161.09625	23.0
161.13200	9.5
163.07692	4.5
163.11249	8.4
169.10124	7.0
171.11740	7.7
173.09682	4.5
177.12732	5.6
182.11003	3.8
184.07355	39.0
187.11244	8.3
187.14836	6.5
197.13269	6.9
215.14442	8.0
229.10043	4.2
233.15390	17.0
249.14680	4.7
261.18597	3.7
271.16946	9.4
273.18475	15.8
289.18161	20.3
290.18781	17.4
291.19623	8.3
294.23795	4.0
307.18945	9.4
335.25778	70.7
363.21542	9.8
381.22623	27.4
402.37155	3.9
567.40094	7.3
595.39813	13.8
623.42773	15.2
641.44220	87.2
642.44397	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	821.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	19.2
57.07072	1.9
64.87659	1.6
64.88016	1.7
65.03935	7.5
67.05507	89.1
68.05846	1.6
69.03403	4.9
69.07067	22.9
71.01368	4.1
71.04991	3.1
73.02914	1.8
77.03920	3.2
79.05495	70.9
80.06277	2.9
81.03401	12.1
81.07063	74.5
83.04996	17.6
83.08621	9.9
85.06526	6.0
89.06049	1.8
91.05485	65.2
93.07047	61.6
94.04211	2.1
95.04971	42.8
95.08614	57.9
97.02885	5.9
97.06529	7.7
97.10174	3.3
98.07344	2.1
99.08069	2.0
103.05456	3.4
105.04502	3.7
105.07034	52.8
107.04961	50.5
107.08595	27.8
108.05740	2.0
109.06518	24.5
109.10151	18.7
111.04442	7.4
111.08064	3.6
112.05227	3.0
113.05979	6.9
115.05505	2.7
116.31548	1.7
117.07011	21.3
119.04932	4.4
119.08584	29.3
120.04585	1.7
120.05648	2.6
121.06497	11.4
121.10130	20.3
122.07290	16.0
123.04453	5.2
123.08063	5.7
123.11681	5.3
125.05984	2.4
125.09624	3.5
128.06197	7.6
129.07018	12.0
131.08569	23.8
133.06511	19.2
133.10144	21.0
135.08084	13.3
135.11696	16.4
137.05943	2.6
137.09607	3.7
141.06969	4.6
142.07809	2.8
143.08546	10.2
145.06471	9.9
145.10114	14.0
147.08044	25.1
147.11700	11.1
149.05975	2.3
149.09599	6.5
149.13268	5.7
151.07477	2.8
155.08554	3.8
156.09398	1.9
157.10069	5.9
159.11668	8.4
161.09612	18.5
161.13235	4.3
162.10414	3.6
163.11171	4.9
165.09085	2.3
169.10124	5.4
171.11659	5.7
173.13251	7.1
175.11182	4.4
175.14876	2.6
177.12723	5.4
185.13229	6.2
187.11366	2.0
187.14888	3.1
189.12773	3.1
190.49449	2.0
197.13297	2.6
203.14345	2.7
205.15822	2.3
207.13754	2.6
215.14308	3.8
217.15858	2.8
229.59879	2.0
233.15320	12.6
243.13519	2.1
261.14813	4.3
261.18546	4.2
261.22083	3.4
262.19550	3.0
267.42688	1.9
273.18573	10.7
275.20074	3.6
289.17993	4.9
290.18811	13.2
291.19489	7.8
307.19064	7.0
326.27051	1.7
335.18869	3.7
335.25815	100.0
336.26117	3.8
347.22067	3.9
363.21555	2.8
381.22650	23.0
567.40387	8.2
583.39728	2.9
595.39868	13.9
607.43134	2.9
624.42822	3.6
641.44141	74.5
642.43976	7.2
648.57269	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	13.6
57.07069	7.1
59.05014	4.8
61.02910	5.9
65.03947	7.2
66.57276	4.4
67.00130	4.1
67.05183	6.4
67.05509	93.6
67.05843	3.5
69.03423	7.0
69.07072	36.3
71.05001	6.5
71.08617	4.2
71.52083	5.8
79.05495	73.7
79.54524	4.4
81.03436	23.0
81.07066	100.0
83.04966	8.8
83.08630	28.1
85.02892	16.9
85.06530	5.2
87.04473	14.1
89.06025	5.5
91.05490	78.6
93.07051	76.6
95.04984	23.4
95.08617	49.5
97.02896	19.6
97.06537	42.2
97.10168	20.1
104.71543	4.1
105.07059	67.9
107.04963	25.6
107.08606	45.3
109.06509	26.6
109.10159	37.9
109.80764	5.1
111.08099	9.4
113.06010	5.6
115.05450	5.8
117.06985	23.4
119.08588	58.7
121.06513	8.2
121.10163	21.9
123.08071	11.9
123.11713	6.9
125.09641	16.0
127.03886	7.7
129.07004	16.4
129.90239	4.0
131.08594	43.3
133.10144	38.3
135.08073	11.5
135.11690	13.3
137.09654	7.1
141.06889	4.6
143.08574	14.9
145.06496	4.7
145.10104	28.1
147.08040	9.4
147.11702	24.9
149.09624	15.3
149.13295	10.7
151.11176	6.5
155.08595	8.9
157.10081	10.3
159.11694	17.2
161.13284	10.2
163.11186	15.3
165.12782	7.0
169.10138	11.1
171.11729	14.8
173.13295	12.0
175.11147	5.5
177.12753	4.8
183.11716	6.9
184.07314	5.7
185.13240	7.2
187.14766	4.7
189.11211	8.5
195.11830	4.8
197.13191	7.0
199.14734	6.3
227.12828	11.8
229.14273	6.5
229.19408	6.0
239.17909	7.7
257.18967	8.3
259.20630	9.7
269.17456	10.2
273.18491	14.5
275.20087	66.0
276.20111	6.0
291.19608	18.8
293.21118	8.3
313.21381	5.4
313.82333	5.1
333.24225	8.3
349.23828	40.0
350.24341	6.9
351.25247	9.2
365.23294	5.9
367.24875	6.4
543.37006	21.4
561.37671	8.4
623.43097	24.2
625.44122	5.0
641.44177	27.8
659.44690	8.4
787.46198	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	821.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	19.2
57.07072	1.9
64.87659	1.6
64.88016	1.7
65.03935	7.5
67.05507	89.1
68.05846	1.6
69.03403	4.9
69.07067	22.9
71.01368	4.1
71.04991	3.1
73.02914	1.8
77.03920	3.2
79.05495	70.9
80.06277	2.9
81.03401	12.1
81.07063	74.5
83.04996	17.6
83.08621	9.9
85.06526	6.0
89.06049	1.8
91.05485	65.2
93.07047	61.6
94.04211	2.1
95.04971	42.8
95.08614	57.9
97.02885	5.9
97.06529	7.7
97.10174	3.3
98.07344	2.1
99.08069	2.0
103.05456	3.4
105.04502	3.7
105.07034	52.8
107.04961	50.5
107.08595	27.8
108.05740	2.0
109.06518	24.5
109.10151	18.7
111.04442	7.4
111.08064	3.6
112.05227	3.0
113.05979	6.9
115.05505	2.7
116.31548	1.7
117.07011	21.3
119.04932	4.4
119.08584	29.3
120.04585	1.7
120.05648	2.6
121.06497	11.4
121.10130	20.3
122.07290	16.0
123.04453	5.2
123.08063	5.7
123.11681	5.3
125.05984	2.4
125.09624	3.5
128.06197	7.6
129.07018	12.0
131.08569	23.8
133.06511	19.2
133.10144	21.0
135.08084	13.3
135.11696	16.4
137.05943	2.6
137.09607	3.7
141.06969	4.6
142.07809	2.8
143.08546	10.2
145.06471	9.9
145.10114	14.0
147.08044	25.1
147.11700	11.1
149.05975	2.3
149.09599	6.5
149.13268	5.7
151.07477	2.8
155.08554	3.8
156.09398	1.9
157.10069	5.9
159.11668	8.4
161.09612	18.5
161.13235	4.3
162.10414	3.6
163.11171	4.9
165.09085	2.3
169.10124	5.4
171.11659	5.7
173.13251	7.1
175.11182	4.4
175.14876	2.6
177.12723	5.4
185.13229	6.2
187.11366	2.0
187.14888	3.1
189.12773	3.1
190.49449	2.0
197.13297	2.6
203.14345	2.7
205.15822	2.3
207.13754	2.6
215.14308	3.8
217.15858	2.8
229.59879	2.0
233.15320	12.6
243.13519	2.1
261.14813	4.3
261.18546	4.2
261.22083	3.4
262.19550	3.0
267.42688	1.9
273.18573	10.7
275.20074	3.6
289.17993	4.9
290.18811	13.2
291.19489	7.8
307.19064	7.0
326.27051	1.7
335.18869	3.7
335.25815	100.0
336.26117	3.8
347.22067	3.9
363.21555	2.8
381.22650	23.0
567.40387	8.2
583.39728	2.9
595.39868	13.9
607.43134	2.9
624.42822	3.6
641.44141	74.5
642.43976	7.2
648.57269	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.5
57.07079	89.7
59.05005	29.4
61.33531	1.3
67.05499	4.5
69.03439	1.9
69.07046	4.2
70.06517	1.1
70.10583	3.1
70.10977	2.1
71.04979	1.4
71.08636	93.3
73.02910	1.9
73.06546	2.7
79.05481	4.3
81.03388	1.7
81.07042	6.0
83.04987	1.8
83.08608	4.2
85.02921	1.3
85.10184	86.0
87.04470	22.4
89.06034	100.0
91.05454	4.0
93.07057	3.3
95.04966	1.6
95.08604	2.7
97.06528	2.3
97.10202	2.6
99.11738	9.8
101.09651	3.0
105.07043	2.4
107.08581	2.7
109.10147	3.2
117.07013	1.6
117.09126	8.3
119.08611	2.1
121.06474	2.3
121.10143	1.8
125.13142	1.2
130.08643	4.2
131.07097	7.6
133.08611	75.1
141.16396	9.2
175.09662	5.2
177.11234	30.2
184.07300	2.5
199.20593	19.5
209.65123	1.4
219.12325	2.1
221.13828	5.3
257.24799	7.9
265.16467	2.3
275.20065	2.8
276.20398	1.8
283.17661	2.0
291.19394	2.1
309.19119	1.9
327.20102	2.1
335.25629	1.7
353.21582	1.2
371.22440	1.2
443.39563	1.2
547.33459	6.5
820.59003	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	820.5995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.9
57.07080	67.5
59.05008	10.9
67.05510	10.2
68.80461	1.0
69.03430	2.1
69.07072	6.2
71.05000	1.4
71.08636	41.3
73.02921	1.7
73.06567	5.0
79.05505	9.0
81.03453	1.1
81.07056	10.0
83.04982	1.5
83.08631	3.0
85.10186	35.9
87.04475	20.8
89.06036	100.0
91.05481	10.3
91.07609	1.5
93.07053	8.8
95.04952	1.7
95.08083	0.9
95.08589	6.3
97.02865	1.6
97.06516	1.6
97.10156	4.9
99.11757	5.3
103.07579	6.9
105.07048	10.5
107.04965	2.6
107.07050	1.3
107.08576	5.0
109.06522	1.1
109.10150	2.6
113.13284	2.0
115.05444	1.1
117.07036	3.6
117.09151	5.6
119.08585	5.6
121.06486	2.0
121.10159	3.7
125.09621	1.8
129.07004	2.3
130.08662	3.0
131.07062	7.4
131.08586	4.4
133.08614	73.1
133.10063	4.4
134.08911	1.2
135.08086	1.5
135.10249	1.4
135.11765	1.3
144.23421	0.9
145.10159	2.9
147.11703	3.9
155.17969	3.4
157.10242	1.3
159.11754	2.5
161.11789	1.5
161.13213	2.5
171.11716	1.8
175.09702	5.2
175.14874	1.4
177.11234	32.8
179.12807	1.5
183.11705	1.4
184.07385	1.9
189.11226	1.6
204.24069	0.9
213.22176	3.1
219.12285	2.6
221.13828	5.7
223.13321	2.0
227.12729	1.9
237.60713	0.9
241.19434	1.6
257.24774	3.6
259.20663	4.0
265.16473	1.4
273.18454	2.2
275.20169	1.8
291.19556	14.2
333.24460	4.8
349.23816	1.1
353.21600	1.2
365.23303	3.3
366.23489	1.1
368.20187	1.1
386.43073	1.0
503.30450	1.2
525.35248	1.2
591.35974	4.9
623.43475	4.6
631.39301	1.2
791.82605	1.2
820.60199	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5926
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29140	12.7
67.05495	46.3
69.07054	16.0
71.52148	21.6
79.05497	44.5
81.07061	44.9
93.07037	33.8
95.08609	51.0
101.11207	15.7
107.08582	24.1
109.10133	19.0
119.08594	20.2
121.10159	22.6
131.08577	18.1
133.10112	23.0
140.19640	13.9
157.52153	14.1
158.60864	15.6
159.86118	15.0
254.25377	13.2
333.82181	14.1
335.25854	100.0
336.26160	23.9
337.27197	19.1
595.46808	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	820.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	16.9
57.07080	18.0
58.07404	4.1
59.04996	10.8
60.08165	3.0
61.44952	2.1
61.92817	2.0
65.03944	2.6
67.05511	38.6
67.37949	2.2
69.07065	11.7
71.04984	2.1
71.08638	14.7
71.51999	3.0
72.08952	3.7
73.42189	2.1
79.05077	2.7
79.05499	31.3
81.07063	36.7
83.04984	18.1
83.08603	6.7
84.08154	2.4
85.10185	17.2
86.09702	5.5
89.06016	8.4
91.05489	25.5
93.07053	32.5
95.04945	5.2
95.08605	24.7
97.06557	3.4
97.10152	2.3
99.04450	3.0
99.11717	2.4
105.07027	12.6
107.04961	23.4
107.08572	16.0
109.06514	5.3
109.10170	10.5
111.04435	10.2
117.07014	9.0
117.09124	3.7
119.08576	11.7
121.06499	4.0
121.10136	9.0
123.08065	3.4
124.99983	6.7
125.05930	2.8
129.07013	7.0
130.08635	5.1
131.08588	12.8
133.06502	3.0
133.08577	3.9
133.10143	6.8
135.08072	5.6
135.11705	6.6
143.08562	4.0
145.06479	3.6
145.10110	9.1
147.11717	3.4
155.08647	2.1
157.10074	3.4
159.08051	5.2
159.11664	5.9
161.09619	2.6
163.11131	3.4
169.10202	3.3
171.11678	3.0
173.13211	4.6
177.11206	3.1
177.12653	2.8
184.07315	26.7
201.09142	2.3
205.15869	3.7
213.22113	3.9
233.15404	7.5
243.17552	3.1
261.18622	4.7
262.98471	2.2
267.13702	2.1
271.16858	5.1
289.17990	26.7
291.19308	3.1
335.22043	4.3
335.25793	57.4
336.26093	3.1
363.21686	18.7
623.43079	100.0
624.42938	8.4
699.94159	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.6
57.07076	2.0
65.03929	1.6
67.05510	27.5
67.43848	1.0
67.46631	0.9
69.03419	1.7
69.07069	21.2
71.04987	1.7
79.05067	1.9
79.05499	25.7
81.03417	5.2
81.07060	40.5
83.04988	6.5
83.08627	6.0
85.06536	2.5
86.09729	1.4
91.05484	36.9
93.07046	23.0
95.01329	7.9
95.04967	6.5
95.08612	18.8
97.06535	39.3
97.10173	3.0
98.21617	2.4
98.61307	1.1
99.08086	1.3
103.05495	1.7
105.04562	1.2
105.07034	48.7
106.07375	1.1
107.04965	13.5
107.08588	10.6
109.06522	4.3
109.10155	4.7
110.12408	0.9
111.08099	2.0
117.07014	10.6
119.08582	25.4
121.06515	3.3
121.10138	8.4
123.04397	2.5
123.08064	3.2
125.09638	2.5
129.07024	3.6
130.08694	1.1
131.08585	18.1
133.06477	1.5
133.10133	28.5
135.08086	3.0
135.11745	5.8
135.67867	1.0
137.09615	2.3
139.07538	2.7
141.06989	1.8
143.08563	3.4
145.06505	1.8
145.10133	12.6
147.11673	10.0
149.09616	7.0
149.13274	3.2
151.11227	1.7
155.08527	1.8
156.80962	1.0
157.10150	2.8
159.07994	1.5
159.11725	8.5
161.09753	1.2
161.13289	4.1
163.11165	5.2
165.09193	2.1
171.11726	1.8
173.13287	2.9
177.12729	2.2
179.14319	13.5
183.11639	1.5
184.07356	3.9
187.11224	2.3
189.12599	1.2
197.13176	1.3
219.17259	1.1
229.19576	1.8
239.17969	1.9
247.20525	2.8
257.18976	4.1
275.20078	76.7
276.20459	2.6
293.21161	5.0
331.22861	1.2
349.23740	51.5
350.23981	3.2
472.79028	1.1
623.43042	100.0
624.43683	8.5
641.43982	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	818.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	10.5
67.05505	60.2
69.07076	14.9
71.12440	11.9
71.59826	4.6
74.09717	5.2
79.05499	48.1
81.07056	65.6
86.09720	7.7
91.05485	21.9
93.07044	57.5
95.08617	48.0
98.00887	4.6
105.07037	19.2
107.07980	4.7
107.08583	31.3
109.10189	23.0
119.08546	24.6
121.10136	25.7
123.11682	7.5
124.99979	6.0
131.08549	8.0
133.10144	15.9
135.11710	14.8
145.10127	12.5
147.11720	10.0
149.13268	11.2
161.13269	7.3
163.14896	7.0
172.14140	5.2
173.13235	5.0
184.07335	28.7
204.26837	4.5
243.21092	7.0
261.22247	14.6
298.74265	5.2
327.70532	5.0
333.60172	5.5
334.91879	5.4
335.25821	100.0
335.29453	9.8
337.27438	9.8
338.66766	4.7
571.37848	6.8
595.47260	14.3
613.48022	7.3
818.55609	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	819.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	19.7
57.07086	3.3
65.03938	6.1
67.05509	100.0
69.03419	9.2
69.07074	28.1
69.27726	17.2
69.28151	10.3
71.01367	3.6
71.05006	8.4
73.53942	2.7
77.03911	3.4
79.05067	5.9
79.05496	78.1
81.03412	22.0
81.07063	88.2
83.04984	15.9
83.08617	14.4
85.02903	6.3
85.06551	4.9
89.10994	3.3
91.05489	92.6
93.07050	69.0
95.04980	46.9
95.08614	39.0
97.02908	7.4
97.06530	15.9
97.10180	5.7
98.20757	5.3
99.04451	3.9
103.05486	3.1
105.07039	62.8
106.53551	3.1
107.04960	42.4
107.08595	36.1
109.06523	33.5
109.10157	20.3
111.04507	5.8
111.08118	7.1
112.05165	3.8
113.06012	13.5
115.05402	6.4
117.07025	37.8
119.04950	3.1
119.08591	50.7
121.06519	13.1
121.10143	17.1
122.07307	9.5
123.04414	5.9
123.08080	12.8
123.11703	3.3
125.09663	8.4
128.06233	8.5
129.05518	4.5
129.07007	24.0
130.07860	5.4
131.08578	41.5
133.06519	15.8
133.10152	34.7
135.04506	3.6
135.08086	22.7
135.11716	17.9
137.09537	4.0
141.06990	8.2
143.08609	17.4
145.06502	11.2
145.10132	28.1
147.08054	18.9
147.10669	3.4
147.11681	18.2
149.09627	10.3
149.13281	9.6
153.07043	3.6
153.70392	3.0
155.08527	8.9
157.10172	14.2
159.08026	5.3
159.11728	21.8
161.09639	19.6
161.13300	9.1
163.11186	12.4
165.09132	4.8
167.08583	5.1
168.46367	2.8
169.10190	10.2
171.11700	14.0
173.13206	7.9
175.11273	3.7
175.14873	4.2
177.12730	6.7
179.08577	3.1
181.10164	5.1
183.11717	9.2
185.13298	10.6
187.11198	8.2
187.14868	4.2
189.12814	3.7
195.11702	4.9
195.13783	3.7
197.13293	6.5
199.14821	6.4
203.14471	5.9
209.13350	4.4
215.14368	5.2
217.15929	6.6
227.12825	5.6
233.13159	3.4
233.15430	8.9
241.19511	10.1
257.19125	5.5
259.20636	16.9
273.18576	26.1
275.20053	26.9
279.16046	5.8
290.18753	8.4
291.19562	43.8
315.23111	3.8
333.24216	24.9
333.27823	4.0
335.19412	3.6
338.58069	3.3
347.22171	4.8
349.23645	12.8
365.23196	8.3
381.22797	17.0
519.32959	3.5
559.36572	4.1
581.38422	4.5
593.38684	7.5
605.41925	4.1
621.41217	5.5
623.43195	6.2
639.42657	33.4
640.42023	4.0
657.43671	6.6
835.64667	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	818.505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03366	1.8
61.02852	1.5
61.03134	0.5
61.72945	0.6
64.48788	0.5
65.03863	1.3
67.05424	15.7
67.05820	1.4
68.04949	5.2
69.03348	2.0
69.03693	0.9
69.06986	4.1
70.06510	18.3
70.06939	1.6
71.04932	1.2
73.02837	1.5
79.05406	14.0
80.04934	2.2
81.03334	1.8
81.06970	14.4
81.07478	0.8
82.06529	0.6
83.04908	1.0
83.08531	1.7
84.08079	1.1
85.02808	1.9
91.03913	0.8
91.05473	11.3
93.05742	1.1
93.07040	11.6
93.07574	0.5
94.06463	2.7
95.04859	1.9
95.08604	10.2
95.96222	0.5
96.04413	0.5
96.08027	1.6
97.02785	2.1
97.03342	0.6
97.06493	0.6
97.10133	0.6
98.06012	0.8
98.20663	0.9
100.07631	4.5
101.02299	0.6
103.05387	0.7
105.07029	8.1
106.05880	0.4
106.06541	3.8
107.04888	1.1
107.07284	0.9
107.08594	5.0
108.08105	4.1
109.06422	1.4
109.10148	2.7
110.09609	1.0
111.07961	0.9
114.05532	9.5
115.03845	0.5
116.07001	1.4
117.07007	4.6
118.06464	1.9
119.07268	0.9
119.08559	3.4
120.08103	9.1
121.06392	0.5
121.08772	1.1
121.10136	3.2
122.09687	2.6
123.07964	0.8
126.08948	0.6
127.03880	0.6
128.07074	4.4
129.06917	1.8
131.08580	4.2
132.07970	2.3
133.08769	1.5
133.09995	2.2
134.09654	15.6
135.07979	0.6
135.10313	2.3
135.11609	1.8
136.07512	0.7
136.11177	2.6
137.04636	0.5
137.09677	0.5
140.07008	1.1
143.08467	0.8
145.10027	2.1
146.09523	2.2
146.10519	0.5
147.10393	0.7
147.11613	1.4
148.07538	0.5
148.11209	7.1
149.13152	0.8
152.06958	1.5
154.08600	3.5
157.10052	0.8
159.11546	0.7
160.11176	1.2
162.12718	1.0
164.07068	9.1
165.07899	0.6
166.08516	1.6
168.06442	0.7
171.11577	0.7
173.13214	1.2
174.12711	0.6
177.07770	1.2
178.08615	5.7
179.09348	1.7
180.10197	20.0
183.11555	0.7
190.08580	0.6
191.09430	0.5
191.14297	0.8
192.10106	1.6
194.08044	2.2
194.11693	1.7
206.11714	1.3
230.18874	1.4
232.16811	0.6
232.20468	1.1
248.20103	0.6
258.18509	6.9
260.20129	2.4
265.17859	0.7
274.18225	0.8
275.19995	0.9
276.19580	17.7
278.21091	4.1
286.17990	1.0
291.19537	1.1
294.20383	0.5
302.17499	2.9
304.19061	51.2
305.19269	1.6
306.20493	0.6
316.22729	1.2
322.20108	17.8
322.23892	0.9
334.23730	8.5
335.25815	1.1
350.23260	1.5
378.22693	6.3
394.22043	0.7
396.23782	14.1
398.00009	0.5
594.45398	2.7
610.44598	1.1
613.93158	0.5
638.43890	3.2
656.33398	1.0
656.45178	93.4
657.45496	5.8
818.50415	100.0
819.51013	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	818.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03378	2.3
58.31046	0.6
61.02865	2.6
65.03888	1.2
67.05441	18.8
67.05828	1.5
68.04967	7.3
69.03423	2.9
69.07005	4.4
69.25898	2.4
69.26328	3.3
70.06527	19.9
71.04959	1.1
73.02845	2.7
79.05493	16.3
80.05018	2.7
81.03349	2.3
81.07059	15.2
82.06511	1.0
83.04938	1.2
83.08575	1.3
84.08080	0.7
85.02839	2.2
85.06497	0.7
91.03880	1.0
91.05486	13.3
93.05705	2.0
93.07047	14.1
94.06565	2.8
94.07071	0.5
95.04903	2.2
95.08610	8.6
96.08047	1.6
97.02827	2.1
97.06493	1.4
100.07620	6.9
101.02304	0.8
103.05389	0.7
105.04517	0.8
105.07031	7.9
106.06561	4.6
107.04870	0.8
107.07282	1.2
107.08578	5.1
108.08118	3.8
109.02837	0.8
109.06494	1.1
109.10184	3.9
110.06050	0.5
114.05529	10.4
115.05422	1.0
116.07049	1.3
117.07020	4.0
118.06474	1.7
119.07279	1.4
119.08570	4.9
120.08109	9.6
121.06423	0.9
121.10132	3.5
122.09583	2.3
123.46196	0.7
124.07527	0.7
126.09102	0.7
127.03892	0.7
128.07083	5.5
129.06929	1.7
131.08568	4.4
132.08124	2.7
133.08794	2.4
133.10110	2.9
134.09653	15.1
135.10329	2.5
135.11606	1.7
136.07520	0.7
136.11127	2.5
140.06975	1.8
143.08440	1.7
145.10155	3.5
146.09660	2.9
147.11609	0.9
148.11218	7.5
149.11949	0.7
149.13124	1.3
152.07066	0.9
152.10605	0.9
154.08630	3.8
159.11644	0.8
160.11145	1.2
161.09592	0.5
161.13197	1.4
161.64442	0.5
162.12808	0.8
163.11089	0.7
164.07082	10.4
166.08562	1.9
168.06555	0.7
169.10124	0.7
171.11594	0.8
173.13130	0.9
174.12631	0.9
177.07765	0.9
178.08644	6.4
179.09364	1.7
180.10204	24.1
190.08646	0.8
191.14270	1.4
192.10159	1.3
194.08083	2.8
194.11729	1.7
206.11713	0.9
230.18858	1.6
232.20567	1.3
258.18570	5.7
260.20068	2.1
260.64139	0.5
274.17972	1.2
276.19565	21.0
278.21100	3.4
286.18082	0.9
302.17450	4.0
304.19070	47.9
305.19397	1.2
306.38983	0.5
316.22678	1.0
322.20135	21.4
334.23688	6.1
335.25769	1.3
350.23135	1.3
352.24945	0.7
378.22714	7.3
394.22070	1.0
396.23810	27.0
465.22751	0.9
487.34106	0.8
558.28973	1.2
594.45215	3.0
610.44952	1.0
638.44196	5.4
656.33533	0.9
656.45203	89.6
657.45331	5.0
818.50427	100.0
819.51080	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	816.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02094	0.8
65.03951	1.7
67.05497	0.9
68.21010	1.0
68.99781	2.6
69.03420	3.1
71.50730	1.2
79.05520	0.8
81.07047	0.8
95.04965	1.5
97.02875	1.2
99.88932	0.8
111.04436	3.0
121.02816	1.1
121.06509	1.4
123.04436	6.0
123.26749	0.8
124.11743	0.7
135.04399	0.8
137.05952	3.2
139.03909	100.0
140.00923	0.8
140.04251	1.6
140.07028	0.8
141.05428	0.8
141.06868	0.8
147.04346	1.1
151.03902	11.4
153.01805	3.4
153.05460	12.6
153.06995	2.5
155.04962	0.9
163.03914	18.9
165.05487	11.0
165.06784	1.5
167.07047	4.9
169.06496	1.6
171.08038	4.0
173.06003	2.2
175.03862	1.0
177.05510	0.8
179.03415	1.3
181.06485	7.7
183.04416	1.9
185.05997	2.6
187.07509	1.4
189.05441	1.6
193.04922	1.0
197.05940	3.5
198.09132	1.4
199.04005	0.8
199.07585	8.2
201.05493	15.2
201.07391	1.2
202.06131	2.5
203.07022	1.0
204.06546	1.1
206.50978	0.7
208.07561	2.5
209.05975	5.2
210.09152	1.7
211.03917	2.7
212.07074	1.5
213.05370	2.2
214.08685	2.3
215.07083	6.5
217.04941	3.3
217.06956	1.3
224.07063	5.0
225.05502	2.1
225.07861	6.4
226.08525	5.3
227.07065	8.8
227.09106	1.2
229.05017	9.5
229.07167	1.1
230.05717	3.3
230.08206	2.5
231.06557	6.1
237.05475	3.5
238.08571	6.1
239.07077	1.6
239.09305	1.1
242.08107	5.4
243.06609	7.6
243.08783	1.7
244.09775	2.0
245.08098	3.5
246.07599	1.6
253.07375	2.1
254.08119	8.6
255.06493	7.4
255.08618	0.9
256.09708	0.9
259.05988	1.4
260.09167	1.3
266.08066	0.9
267.06635	1.8
270.07608	10.8
271.08282	3.9
272.09137	13.6
273.07556	23.6
282.07581	2.2
284.09158	3.1
290.10239	59.2
291.10489	2.3
319.09586	1.1
329.07974	1.9
347.09076	4.5
364.11703	2.8
365.10147	1.9
375.08636	5.3
382.12863	1.1
383.11328	1.1
392.11508	1.5
393.04791	1.2
393.09692	15.2
410.12360	56.3
411.10632	14.5
412.11331	0.9
428.13440	80.4
429.14035	5.8
449.05066	0.9
484.88498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
62.80151	2.4
64.57742	2.3
67.05517	4.4
68.05017	3.0
69.07068	5.9
71.51119	3.5
79.05477	3.9
85.02889	3.3
91.05457	2.9
93.07070	2.0
94.06573	19.8
95.04964	2.3
106.06532	4.1
108.08120	6.5
112.07624	3.2
116.04978	3.1
118.06528	3.4
120.08076	4.8
121.06475	4.0
122.06040	54.2
123.04438	5.7
124.07590	2.5
134.06021	16.6
136.07544	4.8
138.05548	3.8
139.03917	6.0
140.07080	100.0
144.04439	4.8
146.06013	29.8
147.06796	5.1
148.07584	31.9
153.01831	8.0
162.05516	6.3
164.07045	11.4
166.08699	7.9
172.03954	35.3
172.07578	2.4
173.04698	5.7
174.05531	42.2
175.93266	1.9
176.07077	78.6
176.08549	4.6
178.08646	3.0
179.03441	2.7
188.07123	5.4
190.05035	13.2
190.08684	2.8
191.05769	6.8
192.06581	11.0
193.07346	5.6
194.08116	14.5
204.06570	69.7
206.08112	19.2
208.05989	2.2
208.09683	19.9
210.07625	2.6
212.09222	3.4
218.08072	5.6
222.07674	9.2
224.09186	3.0
225.10188	3.2
230.07999	2.9
232.09700	3.6
235.12274	2.5
236.09207	4.7
237.10110	3.7
238.10971	4.9
239.11864	6.3
243.11299	4.7
248.09409	2.5
249.10130	3.9
250.10986	5.5
250.45595	2.9
251.11824	12.2
253.13644	2.6
254.10307	3.9
261.10031	3.1
261.12506	3.4
262.11066	3.3
263.08057	2.5
263.11780	14.5
264.08771	2.3
264.12692	3.7
265.09830	14.8
265.13403	9.7
266.10529	10.1
267.11307	16.9
277.09802	11.7
277.13138	3.3
278.10388	12.1
279.11273	46.2
280.09070	2.6
280.11890	14.1
281.12936	6.2
283.10962	3.0
284.11548	3.4
285.12097	11.2
287.13922	30.9
291.11270	10.1
292.12137	3.1
293.09351	5.5
293.12869	8.5
294.09918	5.6
294.13406	2.7
295.10663	8.9
295.14249	2.9
296.11340	28.5
297.12341	29.2
298.13083	6.4
303.13440	7.9
305.09198	7.2
305.12531	3.5
306.09940	5.4
307.10754	15.3
308.11591	6.1
309.12299	26.9
310.13028	5.4
311.10446	4.8
311.14032	6.4
312.10706	2.3
313.11862	33.4
313.15344	3.5
314.12463	14.6
315.13425	10.1
317.09158	2.7
317.12708	3.3
318.09885	2.8
319.10764	22.2
321.12375	22.6
322.13196	8.7
323.10364	6.2
323.13916	6.1
324.11029	11.8
324.83432	2.4
325.11807	9.5
329.13013	2.7
331.12869	8.4
335.10367	3.3
337.11835	30.0
338.12473	9.7
339.13345	21.5
340.14185	4.1
345.14755	23.0
347.16217	11.1
349.11810	8.1
351.13382	2.7
357.14447	2.7
361.11966	7.2
363.13538	3.8
365.11328	7.6
366.11942	8.3
367.12912	10.0
368.13809	4.3
369.14499	8.7
371.16000	5.8
372.13290	5.5
373.11926	3.0
374.15463	2.9
377.11227	5.3
379.12811	10.9
383.12387	7.1
385.13925	3.1
386.15036	2.7
388.16333	3.5
389.11420	4.0
391.12866	8.3
393.14478	2.6
395.12186	4.5
397.13934	5.5
400.16589	4.5
403.12631	4.8
405.14056	3.6
407.12201	7.4
408.13058	2.9
409.14069	12.3
410.14896	3.9
416.16302	20.5
419.12369	4.4
421.13901	3.7
423.15591	4.8
425.13437	4.1
426.14520	2.7
427.14929	6.7
433.14038	4.4
439.15128	3.7
441.16751	4.7
449.13373	4.8
451.15015	5.3
458.17252	5.0
459.17978	3.1
467.14478	10.4
468.15302	9.3
469.16150	15.6
470.16547	8.5
476.17856	11.7
478.19940	3.4
480.21384	5.5
485.15433	16.7
486.16141	3.0
487.17090	20.3
508.20590	4.5
519.19464	3.8
524.20129	4.0
549.17145	3.4
560.20288	6.0
574.21838	10.5
582.24512	16.6
583.24634	3.0
590.21326	9.8
592.22797	10.1
599.24829	4.5
608.22388	99.4
609.22565	7.8
610.24036	30.3
617.25690	8.8
622.23706	5.4
624.25012	3.9
626.23480	44.8
628.25024	46.3
635.26324	2.9
640.24982	57.2
641.25513	10.0
642.26758	16.3
649.28369	4.2
658.25830	8.6
660.27545	15.5
765.28882	7.0
783.31085	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	815.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99791	2.4
69.36276	9.7
69.36704	2.9
76.11078	1.4
79.74674	1.5
82.74223	1.4
87.80036	1.4
91.05475	2.6
94.78578	1.3
95.43200	1.3
109.02863	3.0
111.00829	2.0
114.64919	1.3
115.05437	1.8
118.06545	25.9
123.04438	4.4
127.02986	2.0
127.03927	41.5
130.06566	2.3
132.08109	6.8
139.03912	69.3
142.06544	1.8
143.07309	4.3
144.08083	16.9
146.04852	3.8
146.06017	78.2
147.04445	3.1
149.02367	1.5
151.03909	19.8
155.03416	3.4
159.04350	1.5
159.09187	6.0
163.03938	9.5
167.03429	2.1
170.06000	4.5
175.03929	6.8
177.05479	2.2
179.03398	22.3
181.04958	4.3
188.07082	100.0
189.05518	2.0
189.07323	2.2
191.03401	5.8
193.04967	3.1
199.03960	1.7
201.05449	1.8
203.03403	12.4
205.09740	26.4
213.05501	2.9
217.05080	3.1
224.80809	1.4
229.05017	4.3
231.06490	3.0
233.04379	2.5
245.04509	10.2
245.84926	1.4
257.04465	11.2
259.05972	2.5
263.05533	11.2
269.04520	2.9
271.06186	2.4
275.05511	12.0
277.06903	1.6
287.05524	33.0
289.07162	3.6
299.05490	11.1
301.07019	1.6
305.06561	14.7
307.08130	12.6
317.06564	11.4
329.07065	1.7
349.09088	1.7
425.08694	21.7
426.86194	1.5
443.09726	18.8
467.09888	4.3
485.10724	5.8
545.46924	1.8
611.14020	8.2
644.02148	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74538	1.6
74.23329	1.7
78.06998	1.5
81.07059	2.7
147.11636	1.7
158.48596	1.5
184.07462	4.6
202.06853	1.5
203.16241	1.7
229.15541	1.7
238.91833	1.5
242.57196	1.8
297.53027	2.0
453.42654	1.7
467.37137	1.6
468.14575	1.6
675.39264	1.8
718.20129	1.8
813.49170	100.0
814.49652	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	813.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.1
57.07080	0.4
60.08196	0.5
61.02935	5.5
65.03954	0.5
67.05506	5.1
69.03423	2.9
69.07069	1.7
69.36858	0.4
71.01369	0.5
71.05001	0.6
71.16085	0.7
73.02931	3.2
79.05494	5.6
81.03426	2.1
81.07060	5.7
83.08659	0.8
85.02908	4.8
85.35769	0.4
86.09726	1.9
87.04459	0.5
91.03978	4.0
91.05495	4.1
93.07055	5.4
95.04949	0.8
95.08600	3.6
97.02894	4.5
98.98438	0.5
99.04463	1.1
101.02411	1.1
103.04025	0.5
105.07042	2.9
107.08582	2.8
109.02891	1.1
109.06544	0.4
109.10162	1.3
117.07040	0.8
119.08585	2.6
121.10178	1.8
123.11775	0.5
125.00014	1.2
127.03936	1.2
129.06998	0.6
131.08603	1.5
133.10158	1.7
135.11722	1.3
145.10152	0.8
147.11736	0.9
149.13316	0.5
159.11713	0.6
161.13293	0.9
173.13271	0.7
184.07358	7.6
184.08795	0.6
185.04279	1.2
185.07756	0.5
221.00972	0.5
243.08430	3.7
301.09024	1.3
315.10687	0.7
335.25952	0.5
336.29111	0.5
338.53885	0.4
371.16403	0.5
373.49899	0.5
465.21017	0.6
519.29309	6.6
530.52478	0.5
535.28851	6.0
591.31555	0.9
813.51276	100.0
814.51611	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	808.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	15.3
67.05177	8.3
67.05505	100.0
69.07062	20.9
71.06673	5.2
71.07007	13.1
78.51946	5.3
79.05495	89.9
81.07056	85.9
83.04983	4.6
83.08618	12.4
91.05485	77.3
93.07042	78.2
95.04951	8.6
95.08607	74.2
105.07034	71.7
107.08597	48.1
109.10168	30.8
117.07013	22.2
119.08571	55.3
121.10141	40.1
123.11720	5.3
129.07005	12.8
131.08563	36.4
133.10153	50.0
135.11697	32.5
139.72678	4.9
143.08554	9.8
145.10143	31.4
147.11679	41.3
149.13242	13.7
153.92139	5.0
155.08504	6.8
157.10141	17.9
159.11684	26.5
161.13235	25.0
163.14871	7.2
169.10141	5.6
171.11674	14.3
173.13332	13.5
175.14771	9.6
185.13309	9.0
187.14839	6.7
199.14783	11.0
201.16396	5.7
241.19499	21.7
247.10796	5.0
257.19055	8.2
259.20566	67.6
261.22250	12.5
315.23132	7.8
333.24246	44.7
335.25818	70.9
367.82547	6.0
494.22928	4.9
519.42029	6.6
611.46686	51.0
808.34363	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	806.5833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	48.8
59.05005	13.2
64.27744	0.7
66.86570	0.9
67.05508	4.6
69.03419	0.8
69.07080	4.1
69.71266	1.3
69.71677	3.1
71.04987	1.3
71.08636	39.3
73.02928	1.4
73.06560	5.5
79.05476	3.5
81.07065	4.4
83.08617	2.7
85.02887	0.8
85.10185	38.1
87.04475	18.1
89.06036	100.0
90.06380	1.1
91.05478	3.4
93.07051	2.8
94.07393	0.7
95.04958	1.2
95.08603	3.0
97.06512	0.9
99.11729	3.4
103.07588	6.7
105.07030	2.2
107.07050	2.1
107.08607	1.8
109.10140	1.6
113.06016	0.9
117.06967	1.2
117.09124	5.8
119.08560	1.8
120.08920	0.9
121.10098	1.8
129.06989	1.0
130.08627	2.2
131.07063	5.7
131.08563	2.1
132.08911	0.8
133.08612	68.6
135.11732	1.3
141.16354	3.3
145.10143	1.7
168.18425	0.8
171.11736	0.7
175.09636	4.4
177.11238	26.5
179.29266	0.7
184.07335	1.6
199.20578	3.1
211.72520	0.8
219.12373	2.2
221.13832	6.0
243.23244	3.3
260.20920	0.9
265.16422	1.3
267.51923	0.8
309.19275	1.4
333.24039	1.4
353.21567	1.5
389.83649	0.8
397.24203	1.3
510.20706	0.9
522.28070	0.8
591.35657	3.1
608.43866	1.2
626.44952	3.6
627.39069	0.9
790.50867	0.9
806.58582	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.9
61.02928	3.6
66.91970	1.9
67.05511	28.2
69.07056	7.1
69.32469	12.0
69.32893	6.6
74.09729	2.6
79.05495	20.3
81.06641	3.2
81.07060	27.9
87.92651	2.4
88.39937	2.0
91.05487	13.6
93.07046	23.3
95.08612	25.5
97.10158	3.8
103.14504	2.0
105.07016	8.9
107.08609	12.5
108.39862	2.1
109.10153	10.4
117.06976	4.4
119.08569	6.9
121.10148	12.5
123.03831	2.2
123.11695	5.7
131.08516	2.5
133.10127	5.9
135.11691	9.1
145.10129	6.0
147.11697	5.0
149.13240	4.6
149.43498	1.9
159.11707	4.1
160.35020	1.9
161.13261	4.4
163.14844	3.7
173.13217	5.0
175.14839	3.9
175.83170	2.1
177.34904	2.0
187.14879	2.2
197.08047	2.1
243.21091	3.6
259.20667	4.2
261.22189	14.4
263.23660	3.6
317.24701	2.5
335.25827	100.0
337.27469	2.9
521.44708	2.6
583.86029	2.3
595.47211	9.8
613.47614	2.6
714.79913	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	19.1
65.03934	4.1
67.05510	67.0
69.03416	7.8
69.07078	27.3
70.03992	10.8
71.04993	9.9
77.31659	2.8
79.05499	62.1
81.03424	100.0
81.07063	69.9
83.04984	13.3
83.08627	32.7
85.02892	6.3
85.06546	4.4
90.44312	2.4
91.05489	62.6
93.07054	51.1
93.18140	2.1
95.04971	40.6
95.08607	36.1
97.02888	6.6
97.06525	15.7
97.10179	19.0
98.20769	2.4
99.08079	2.7
103.05455	2.4
105.07038	46.6
107.04949	14.9
107.08600	40.4
109.06528	12.0
109.10176	20.8
111.04456	3.8
111.08080	7.7
115.05486	3.8
117.07022	15.7
119.08592	41.2
121.06516	10.8
121.10139	21.8
123.08074	7.5
123.11687	4.5
125.09621	15.0
127.03869	2.7
128.06233	3.3
129.07014	14.8
130.07776	2.9
131.08572	26.3
133.06479	5.4
133.10129	26.1
135.08018	5.4
135.11713	15.3
137.09610	5.7
141.06972	4.1
142.07777	4.9
143.08582	8.7
145.06523	4.0
145.10146	17.7
147.08096	4.6
147.11731	17.3
149.09657	18.8
149.13235	7.9
151.11189	3.3
155.08540	3.2
157.06525	2.6
157.10147	15.0
159.10481	2.7
159.11694	10.0
160.03729	2.2
161.09596	3.9
161.13235	3.2
163.11182	8.2
169.10141	5.0
171.11671	5.9
173.09404	2.3
173.11813	2.8
173.13261	6.1
175.11232	11.5
177.12726	2.4
181.10069	2.4
183.11700	3.5
185.13289	3.4
187.11343	2.2
189.11246	7.5
193.12221	19.6
195.11705	2.3
195.13820	4.3
211.13258	4.6
213.12747	2.6
227.12804	13.1
229.14304	2.8
245.13736	2.3
249.14908	4.0
253.14316	2.6
255.15912	11.3
257.19034	5.0
267.15952	66.9
269.17438	17.0
273.18524	3.2
275.20135	20.1
291.19580	5.9
293.21133	3.9
349.23743	19.0
367.24759	3.4
369.24100	4.2
387.25314	2.7
421.25854	5.2
431.29047	3.4
443.27954	8.1
447.27417	21.2
449.30530	4.9
459.27335	4.1
461.22513	3.9
461.28995	68.0
462.29077	3.7
467.30997	2.8
477.27771	2.5
485.32761	3.1
493.31592	7.9
523.34076	5.9
541.35291	48.7
542.35626	4.2
559.36469	17.6
591.38257	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	806.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	22.6
57.07075	2.6
59.04984	7.9
61.02911	5.4
65.03937	4.5
67.05508	100.0
68.05829	5.5
69.03434	13.1
69.07073	33.0
71.04996	19.6
73.02897	4.2
79.05499	81.9
81.03421	83.3
81.06589	4.6
81.07063	85.2
82.07381	3.0
83.04982	13.1
83.08635	26.6
85.02887	9.1
85.06532	6.4
85.32009	2.3
87.04449	8.2
89.28241	2.4
91.05488	83.4
93.07053	71.7
95.04974	34.8
95.08614	46.6
97.02890	7.9
97.06509	13.8
97.10152	15.7
98.20738	6.2
99.04429	3.4
105.04518	2.4
105.07034	70.1
106.07350	2.6
107.04971	11.5
107.07893	2.6
107.08604	46.8
109.06529	13.0
109.10175	36.2
109.36145	2.6
111.08083	14.1
115.05461	4.2
117.07008	30.2
119.07818	4.1
119.08590	56.2
121.06533	11.8
121.10151	30.8
123.08064	7.5
123.11701	8.1
125.09636	10.2
127.03942	3.1
128.06268	3.2
129.06999	22.6
130.07764	3.0
131.08562	38.0
133.10149	39.3
135.08064	11.6
135.11700	13.4
137.09650	7.4
139.11232	3.5
141.06975	7.7
142.07808	4.7
143.08562	18.8
145.10139	26.8
147.08008	4.1
147.11685	26.9
149.09647	15.8
149.13261	8.7
151.11159	4.0
155.08556	6.2
157.10141	25.9
159.08041	4.2
159.11688	20.1
161.09619	4.0
161.13234	3.3
163.11154	8.9
165.12814	3.4
167.08557	3.1
167.10645	2.8
169.10123	7.7
171.11673	14.4
173.11765	5.5
173.13246	10.0
175.11160	9.5
175.14769	4.4
177.12732	4.1
181.10225	5.0
183.11713	7.8
185.13254	10.3
187.11111	2.9
187.14787	4.8
189.11214	8.1
193.10281	3.0
193.12230	16.6
195.11720	4.0
197.13242	7.9
199.11116	2.9
199.14833	5.7
203.14183	3.5
207.13724	3.7
209.13297	3.4
211.13271	6.0
213.16367	3.8
217.15805	4.1
227.12794	9.4
229.14249	13.3
241.19536	6.2
249.14749	4.3
257.19250	2.8
259.20651	15.4
267.15903	51.7
268.16220	2.8
269.17477	11.1
273.18420	6.4
275.20108	16.3
287.20160	2.8
292.19812	3.2
293.21082	5.5
297.22153	3.9
315.22977	3.3
331.22632	2.8
333.24234	7.8
349.23792	9.8
367.24820	4.2
369.24258	5.6
387.25250	4.2
421.25635	6.5
429.26178	3.2
433.30884	4.1
437.28787	2.8
443.28015	4.5
451.31781	6.0
455.30142	3.0
461.28876	19.7
469.33145	3.0
493.31659	4.4
517.35449	4.7
525.35797	23.9
541.35028	10.4
543.36774	45.5
557.38458	4.2
559.35626	3.8
575.39233	7.1
608.43744	6.0
626.44788	6.9
644.45081	5.4
806.49719	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	805.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	21.1
59.04989	1.7
61.47079	1.7
65.03951	8.1
67.05509	81.9
69.03431	4.5
69.07069	17.5
71.04993	6.0
75.00767	1.6
79.05501	53.6
80.95229	1.5
81.03418	5.2
81.07063	66.3
82.07419	2.4
83.04983	4.4
83.08617	8.8
85.02908	2.2
85.06552	13.1
91.05489	44.9
93.07051	51.9
94.07391	1.4
95.04977	63.7
95.08611	39.7
97.02880	2.2
97.06535	9.5
97.10163	4.5
98.20820	4.5
105.04491	2.6
105.07030	31.2
107.04959	12.2
107.08599	27.2
109.02850	1.6
109.06527	60.6
109.10153	17.0
111.04462	1.5
111.08096	3.4
113.06016	28.0
117.07014	15.0
119.08583	19.3
121.06503	5.4
121.10159	17.5
123.08054	4.2
123.11759	2.0
125.09610	2.7
126.35773	1.6
128.06241	3.1
129.07030	8.3
131.08571	20.3
133.06540	2.6
133.10155	13.8
135.08069	42.2
135.11700	11.9
137.09619	2.2
143.08563	8.7
145.10121	13.3
147.08055	4.8
147.11656	6.4
149.09656	5.5
149.13278	5.4
157.10091	8.4
159.08066	3.4
159.11745	8.5
161.09618	7.1
161.13301	3.2
163.11197	5.8
169.10101	1.8
171.11665	6.3
173.13264	4.3
175.11237	2.0
177.12758	3.6
179.14311	2.5
183.05325	1.7
183.11694	2.6
184.07390	3.1
187.14877	1.9
188.46124	1.4
195.13762	1.6
199.14815	3.8
201.12689	2.0
203.14386	1.8
213.12923	2.1
217.15898	13.4
245.19026	1.9
255.17448	2.3
261.22049	2.2
273.18509	37.9
275.20093	4.5
291.19562	100.0
292.19882	1.9
309.20554	2.2
333.24188	3.5
335.25815	93.7
336.26279	3.1
347.22104	12.9
349.23761	2.8
351.25577	3.0
365.23233	16.6
567.40167	1.9
596.16644	1.9
607.43243	14.2
608.44214	2.3
625.44653	61.4
626.44690	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	805.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	27.5
57.07066	8.6
59.60900	2.1
65.03934	6.2
67.05508	81.4
69.03445	2.7
69.07076	12.5
69.07372	2.3
69.14902	4.8
69.15309	19.7
71.05005	2.6
71.08617	8.7
74.41569	2.2
79.05498	54.9
81.03417	3.5
81.07066	55.9
83.08638	6.4
85.06551	12.6
85.10175	3.8
89.06030	6.6
91.05491	37.4
93.07047	44.0
95.04974	60.3
95.08611	34.8
97.02883	2.7
97.06538	3.9
97.10172	4.5
98.21641	4.3
105.04462	2.6
105.07038	22.2
107.04945	9.2
107.08604	25.5
109.05804	4.1
109.06522	67.6
109.10143	9.7
111.08070	4.4
113.06020	32.0
115.05468	3.1
117.07010	16.9
119.08606	15.9
121.06544	6.9
121.10156	15.9
123.08082	4.9
125.09644	2.6
129.06998	7.9
131.08586	20.5
133.06441	4.0
133.08658	3.0
133.10121	11.1
135.08069	39.2
135.11710	7.8
143.08572	7.2
145.10136	13.5
147.08041	8.4
147.11726	4.8
149.09637	4.0
149.13258	4.8
152.65045	2.7
157.10143	6.3
159.11682	7.7
161.09653	9.6
163.11218	5.6
171.11598	4.0
172.34294	2.7
175.11237	3.3
177.12756	3.5
184.07381	4.7
199.14787	4.7
217.15892	9.4
227.17912	2.7
233.15308	2.7
254.83914	2.0
255.17490	2.8
273.18500	39.6
284.94852	2.3
291.19568	100.0
292.20004	4.9
309.20657	2.7
335.25800	82.2
336.26141	3.2
347.22174	9.8
365.23193	14.4
449.24164	2.2
460.74329	2.8
607.43378	14.2
625.44562	59.3
626.44543	4.1
652.99463	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.5
57.07077	1.5
61.02915	2.1
66.26808	1.6
67.05513	38.4
67.60646	1.2
67.64017	1.2
68.05849	1.5
69.03434	9.7
69.06724	2.2
69.07072	23.7
69.41784	9.4
69.42197	2.8
71.04990	4.8
72.64410	1.3
73.02923	1.4
79.05497	36.9
81.03423	64.4
81.07065	38.0
83.04994	10.2
83.08620	19.2
84.08143	4.4
85.02917	2.5
85.06561	2.3
91.05487	39.2
93.07045	26.7
95.04975	23.7
95.08609	15.9
97.02914	8.9
97.06534	4.8
97.10169	13.4
98.21584	2.1
99.08170	1.3
103.05513	2.0
105.04506	1.8
105.07042	28.5
107.04987	11.0
107.08605	20.0
109.06535	6.1
109.10152	16.3
111.04444	6.4
111.08116	6.7
115.05462	2.0
117.07036	9.9
119.04964	2.2
119.08579	21.7
121.06507	7.8
121.10165	10.4
123.04459	1.3
123.08083	5.9
123.11717	1.8
125.09638	10.6
128.07115	2.5
129.06989	8.9
130.08655	5.5
131.04930	2.0
131.08586	17.3
133.06526	7.1
133.10133	16.6
135.08076	7.2
135.11714	5.5
137.09625	3.2
141.25169	1.3
142.07797	1.9
143.08586	4.5
145.06464	2.8
145.10130	12.8
147.08034	7.3
147.11707	11.8
149.02359	2.4
149.06004	2.6
149.09642	7.1
149.13303	2.2
151.11186	4.7
153.09143	2.0
155.08585	1.8
157.10181	9.9
159.08153	1.8
159.11737	4.4
161.09669	5.4
163.11180	4.6
164.07115	2.3
165.12794	1.2
169.10168	3.0
169.12204	1.4
171.11743	2.8
173.09653	2.3
173.13327	1.7
175.11217	8.2
179.10674	2.0
181.10066	1.7
185.13300	2.8
189.11224	3.2
193.05002	2.1
193.12277	17.6
195.11778	2.0
195.13759	1.4
199.14853	1.6
205.12331	2.0
219.13817	1.8
221.32050	1.2
223.13251	13.1
227.12849	8.5
229.14423	2.5
249.14868	3.7
253.14273	10.6
267.15936	73.2
273.18594	10.9
275.20172	4.0
276.20630	1.4
291.19574	63.6
292.19928	3.3
313.21854	2.1
335.25833	1.7
347.22241	3.6
349.23825	2.7
365.23254	44.0
392.95074	1.3
445.25735	4.8
459.27457	5.5
463.26950	2.5
465.29639	1.7
475.30643	1.5
477.28522	3.2
539.33752	7.3
557.34760	100.0
558.35388	6.3
575.35602	3.1
624.43207	1.8
642.43549	5.3
804.48694	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	803.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	22.2
61.02920	8.8
65.03930	7.9
66.15424	2.7
67.05510	100.0
69.03429	8.6
69.07063	25.1
70.76738	9.3
71.04988	9.0
73.02914	3.4
79.05072	4.9
79.05502	78.8
81.03427	21.6
81.07065	95.3
83.04967	10.0
83.08616	12.8
85.02895	7.8
85.06557	14.9
86.28338	2.7
91.03944	5.7
91.05487	87.9
93.06480	5.3
93.07048	70.5
95.01308	3.9
95.04974	62.0
95.08611	49.7
97.02879	11.6
97.06534	14.6
97.10165	9.0
103.05486	3.4
105.04527	4.2
105.07039	75.7
107.04959	26.1
107.08602	46.0
109.06522	66.0
109.10166	16.4
111.08096	7.0
113.06006	39.7
115.05418	6.0
116.06223	3.8
117.07028	40.2
119.08592	52.8
121.06519	15.7
121.10164	15.7
123.04475	3.3
123.08055	12.6
123.11754	3.7
125.09634	6.7
127.03947	3.8
128.06209	5.9
129.07042	15.9
130.07796	3.2
131.08571	53.6
133.06433	6.0
133.10155	36.0
135.08072	40.3
135.11684	25.0
141.06999	7.1
142.07808	4.4
143.08589	21.7
145.06483	6.6
145.10117	38.8
147.08038	10.0
147.11723	24.1
149.09641	6.2
149.13278	9.4
155.08562	8.8
157.10185	14.3
159.08020	4.1
159.11684	27.6
161.09634	12.7
161.13261	17.4
163.11130	7.1
167.08600	3.6
169.10107	11.9
171.11703	18.5
173.09544	5.2
173.13300	13.2
175.11198	3.6
175.14807	7.0
177.12726	5.5
179.08456	3.0
181.10155	5.0
183.11717	11.9
185.09622	4.4
185.13232	11.9
187.11230	7.5
187.14828	4.7
189.12819	3.5
195.11722	3.7
199.14888	8.1
201.12697	3.1
201.16267	4.6
203.14272	3.7
205.12215	3.3
207.13664	3.6
209.13239	5.0
213.16438	4.2
217.15884	10.5
225.16469	4.0
241.19519	11.1
257.19089	7.1
259.20468	13.9
264.23373	2.8
273.18558	25.3
275.20053	13.1
279.15915	24.9
283.09158	2.9
291.19550	67.6
315.23373	4.3
323.20291	4.0
327.26675	7.9
333.24301	35.4
347.22302	4.9
349.23996	5.3
365.23181	15.4
513.36737	4.5
539.73279	3.0
543.36823	6.7
549.39417	7.0
605.42078	19.3
623.43079	91.6
624.42993	4.4
641.44104	39.4
641.95313	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	37.7
57.07074	2.1
58.61441	2.3
61.02922	12.4
64.90878	2.1
65.03940	6.8
67.05507	89.5
69.03432	20.9
69.07076	35.4
71.01360	2.3
71.04987	17.0
71.08676	2.3
73.02920	7.1
77.03920	2.8
79.05499	86.0
81.03427	26.4
81.07060	100.0
83.04977	9.4
83.08636	20.3
85.02917	19.5
85.06551	13.0
91.03949	4.4
91.05482	92.9
93.07047	75.9
94.07362	2.5
95.04977	22.9
95.08607	65.4
97.02893	22.1
97.06541	23.3
97.10162	9.3
98.20714	4.9
98.21385	11.1
99.04475	4.7
99.08096	8.1
103.05452	4.9
105.04520	5.6
105.07037	66.6
107.04951	15.7
107.08600	50.4
109.02869	5.4
109.06521	64.4
109.10164	23.3
111.04457	4.3
111.08076	11.9
113.06004	13.2
113.09608	3.3
115.05447	8.9
117.07017	37.1
119.04924	2.5
119.08585	50.4
121.06506	8.7
121.10148	24.9
123.08105	13.0
123.08836	2.4
123.11726	5.7
125.09636	8.3
127.03900	6.7
128.06224	10.5
129.05510	3.4
129.07022	27.9
130.07764	2.9
131.08580	43.3
133.06517	6.4
133.10132	38.2
135.08075	27.8
135.11708	18.1
137.05933	2.3
137.09615	9.7
141.07013	8.7
142.07759	5.1
143.08574	37.5
145.06485	4.3
145.10129	47.5
147.08032	12.6
147.11694	24.9
149.09593	11.4
149.13210	11.8
151.11221	4.3
152.42393	2.4
153.06935	3.2
154.07767	2.9
155.08545	20.5
157.10126	26.1
159.08092	8.9
159.11716	31.1
161.09639	16.0
161.13266	7.1
163.11192	8.4
163.14925	3.1
165.06873	4.0
165.12720	4.1
166.07755	4.7
167.08568	12.6
168.09369	3.1
169.10124	25.2
171.08073	3.7
171.11681	24.9
173.09657	9.3
173.13248	13.2
175.11192	7.5
175.14909	3.8
177.12764	5.8
179.08575	6.6
181.10153	12.8
183.11688	21.1
185.09579	3.6
185.13307	16.0
187.11179	4.8
187.14874	5.2
189.12738	5.0
191.14197	2.5
193.10144	11.9
195.11707	20.7
197.09579	2.8
197.13309	10.9
199.11217	5.3
199.14833	8.3
201.12793	4.3
201.16376	3.8
203.14334	4.4
205.15979	2.8
207.11682	6.9
209.13263	13.4
211.14807	9.0
213.12750	3.7
213.16425	2.4
215.08977	3.8
215.14307	3.1
217.15895	6.6
219.17511	4.4
221.13303	6.8
221.15408	4.9
223.14832	6.7
225.16566	4.0
227.12817	3.6
229.30460	2.5
233.13104	4.1
233.15269	3.5
235.14850	4.3
237.16440	4.5
239.18063	3.8
241.19644	4.8
241.21989	2.9
245.18967	2.8
247.14880	4.4
249.16469	3.4
251.14145	2.6
251.18024	3.6
255.17557	4.9
257.19086	10.9
259.20517	10.3
263.17859	2.7
271.16910	2.7
273.18494	30.3
275.20166	24.8
277.21591	7.4
279.15909	2.5
291.19467	12.5
299.20154	2.9
307.20605	3.1
329.21185	3.2
331.22458	3.1
333.24277	6.4
339.23044	2.7
347.22092	16.0
349.23892	16.1
351.25491	6.4
352.57593	2.5
353.24933	3.5
365.23450	5.6
459.31918	3.2
485.32800	2.6
513.37476	5.0
520.63220	2.8
525.36578	2.8
527.37097	9.2
531.38531	5.8
537.35760	3.8
539.37329	3.6
543.36737	2.7
549.39185	5.5
551.37140	6.5
553.38525	4.7
555.36804	4.8
565.38904	3.6
569.38330	6.8
571.39984	3.5
583.40173	3.1
605.41785	9.3
613.74945	2.5
623.43091	57.8
624.43091	4.2
641.44043	30.4
642.43567	4.3
785.47888	10.1
803.48242	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	803.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	10.3
57.07063	6.6
61.02916	3.4
65.03928	5.6
67.05180	4.6
67.05509	61.2
67.27972	3.7
69.03412	14.2
69.07079	33.2
69.84948	15.0
71.04989	6.0
74.07493	3.3
79.05498	52.9
81.03424	27.9
81.07059	78.3
83.04977	12.9
83.08621	12.2
85.02914	6.6
85.06508	3.6
91.05488	68.3
93.07048	53.7
95.01334	4.0
95.04995	15.6
95.08617	46.7
97.02888	8.7
97.06538	64.0
97.10168	5.1
98.21497	4.0
99.04445	4.6
104.93009	3.2
105.04565	3.4
105.07035	78.4
107.04957	18.6
107.08595	34.1
109.02879	4.5
109.06499	20.0
109.10142	14.3
111.08090	6.7
117.07044	21.8
119.08589	43.0
121.06503	9.5
121.10120	17.5
123.08012	6.1
123.11668	4.8
124.86901	3.7
125.09599	5.1
127.03923	4.9
128.31796	2.9
129.07005	7.0
131.08588	33.6
133.06467	3.6
133.10135	40.2
135.08057	7.1
135.11664	9.1
137.09615	6.3
141.06917	7.7
143.08543	7.0
145.10091	24.3
147.07982	3.8
147.11708	12.0
149.09625	18.3
149.13245	4.8
155.08568	5.6
157.10095	7.9
159.08072	3.7
159.11716	18.5
161.13232	8.8
163.11172	13.0
165.09206	4.2
169.10136	7.3
171.11665	6.7
173.13249	10.0
177.12721	6.1
179.14331	11.0
183.11658	6.1
187.11087	5.0
195.11658	3.6
226.30804	3.2
227.12776	6.6
229.19414	4.0
257.19083	10.1
275.20084	100.0
276.20486	3.9
291.19629	5.6
293.21045	6.1
306.36487	3.6
335.25702	8.6
349.23810	52.0
354.43469	3.6
527.37146	4.7
543.36945	19.6
623.43011	31.0
641.43555	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	803.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	16.0
57.07067	4.4
58.62926	2.3
61.02925	7.1
61.96106	2.3
62.95767	2.9
65.03938	6.2
66.37167	2.5
66.72427	2.3
67.05508	98.4
68.79005	2.3
69.03432	23.0
69.07072	39.2
70.65533	2.9
71.04990	8.0
71.51295	4.2
77.11652	2.5
79.05498	88.1
81.03428	29.7
81.06589	5.2
81.07064	100.0
83.04986	18.2
83.08633	21.6
84.08137	3.6
85.02908	13.8
85.06539	7.7
91.03953	3.2
91.05487	82.7
93.07047	77.4
95.04956	25.7
95.08607	58.9
97.02907	13.7
97.06519	21.5
97.10191	9.3
99.08077	5.1
103.05450	5.5
105.04525	3.7
105.07036	69.0
107.04966	26.3
107.08604	42.2
109.02903	8.4
109.06507	24.1
109.10157	32.0
111.04480	5.0
111.08086	8.9
113.05992	6.2
115.05469	7.9
117.07031	35.1
118.49297	3.1
119.08588	49.4
121.06518	11.7
121.10152	25.3
123.08072	10.4
123.11696	7.0
125.00002	3.0
125.09634	7.4
127.03926	10.9
128.06233	6.8
129.05539	3.1
129.07014	17.9
131.08580	44.4
133.06485	10.4
133.10143	43.4
135.08049	13.5
135.11702	15.3
137.09615	7.7
141.07001	8.9
142.07751	5.9
143.08569	24.4
145.06497	9.4
145.10138	36.2
147.08069	7.5
147.11710	25.6
149.09634	16.4
149.13269	8.5
151.11218	8.1
153.06926	3.3
153.09105	2.9
155.08546	13.9
157.10123	23.9
159.08133	6.6
159.11736	23.6
161.09613	11.1
161.13269	13.1
163.11180	9.3
167.08583	5.9
168.09213	4.2
169.10155	11.1
171.08057	2.7
171.11711	20.1
173.04449	5.4
173.09587	6.5
173.11909	4.2
173.13313	15.3
175.11172	4.9
175.14790	6.2
179.14442	2.7
181.10123	8.2
183.11731	12.5
184.07391	2.8
185.09573	3.6
185.13245	10.7
187.11125	6.0
187.14841	7.2
189.12805	4.4
190.39702	2.8
191.10594	3.3
195.11778	8.1
197.13319	9.7
199.14865	7.6
205.10320	3.0
205.12331	2.6
205.15916	3.8
209.13388	5.8
211.14851	3.4
213.16385	3.0
217.15878	4.0
223.14893	4.2
225.12851	2.7
225.16455	4.0
227.12642	3.9
229.19505	3.1
237.16417	5.8
239.18062	2.9
245.18846	2.8
253.14505	9.3
257.19122	7.4
259.20566	10.5
263.20148	3.4
269.17496	7.5
273.18506	13.2
275.20050	38.9
289.18088	4.6
291.19699	16.7
293.21094	4.5
333.24411	6.4
335.25766	6.8
349.23859	23.6
365.23117	6.4
383.21964	3.6
469.33112	3.4
487.34073	17.0
501.35593	4.6
513.36084	5.3
525.35632	5.4
529.35010	6.0
531.38165	5.8
543.36713	14.6
549.39410	5.5
567.40887	4.0
595.39728	19.7
605.41669	7.4
623.43134	39.6
641.44122	24.1
767.47272	3.3
785.48212	7.6
803.47778	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	803.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	16.0
57.07064	13.5
59.05007	7.9
60.68707	3.0
61.02914	12.4
65.03945	7.5
67.05510	97.9
69.03440	19.9
69.06734	4.4
69.07073	45.4
71.04984	11.4
71.08626	7.3
73.02927	8.1
79.05499	84.8
80.61879	3.4
81.03426	38.7
81.07066	100.0
83.04974	14.7
83.08220	3.7
83.08632	35.3
85.02905	22.0
85.06567	4.8
87.04441	4.1
89.06034	18.0
91.04905	5.0
91.05484	95.6
93.07052	80.4
95.04996	17.1
95.08620	66.7
97.02941	17.9
97.06509	19.1
97.10174	32.1
98.20793	8.4
99.04450	3.7
103.05435	6.1
105.04533	3.1
105.07044	85.5
107.04949	15.2
107.08613	48.1
109.02863	4.9
109.06548	14.9
109.10166	39.2
111.04440	6.1
111.08081	10.7
115.05458	8.0
116.06306	3.2
117.07034	37.9
119.08601	60.6
121.06516	7.5
121.10152	29.5
123.04441	3.7
123.08065	13.3
123.11687	8.7
125.09625	22.2
127.03958	5.3
128.06267	8.1
129.05484	4.8
129.07036	24.5
131.08598	45.0
133.06473	7.2
133.08638	7.4
133.10143	44.3
135.08052	11.6
135.11656	18.2
137.09593	6.6
138.69046	3.2
141.07013	11.4
143.08559	29.8
145.06407	6.2
145.10136	44.7
147.08055	10.2
147.11685	24.4
149.09612	14.6
149.13263	7.0
153.09177	3.6
155.08571	19.4
156.09364	3.2
157.10144	24.1
159.08107	7.0
159.11719	33.2
161.09561	6.3
161.13257	17.9
163.11208	9.8
163.14804	3.4
166.07748	3.2
167.08598	5.6
168.09348	5.2
169.10100	17.3
171.10217	4.3
171.11627	15.5
173.09666	4.3
173.11850	4.6
173.13194	18.1
175.11182	6.1
175.14813	8.4
177.12724	4.4
179.08565	5.1
181.10123	13.9
183.11617	15.1
184.07260	3.6
185.09564	4.0
185.13272	16.5
187.11119	5.3
187.13388	3.3
187.14864	5.1
189.11253	16.2
189.12721	4.7
193.10196	5.8
193.12274	5.7
195.11722	10.9
197.13211	13.1
199.14821	9.0
201.12656	4.3
209.13335	6.1
211.13103	6.2
211.14954	7.3
213.12825	3.2
213.16356	5.0
215.05580	3.2
215.14345	3.2
215.17981	3.4
219.11772	3.9
223.13129	5.3
224.15569	5.0
225.16420	6.1
227.12746	22.4
229.19669	3.5
235.14793	3.8
237.16376	3.6
239.17943	9.0
241.19464	8.4
247.20436	4.7
257.18979	12.3
259.20526	14.8
267.15973	8.7
273.18634	16.4
275.20145	38.1
283.20624	4.0
285.22263	4.5
291.19562	35.5
293.21405	5.1
301.21808	4.3
311.20035	3.3
313.21231	4.6
315.23062	4.8
333.24265	19.9
335.25882	12.4
349.23740	10.1
363.26364	3.5
365.23315	12.4
375.25195	3.8
381.27982	5.2
513.36511	7.0
525.35522	11.5
529.35077	8.8
531.37842	8.0
543.36786	22.2
605.42151	22.4
609.45050	7.4
623.33472	4.5
623.43152	77.3
624.42938	5.7
641.44122	38.2
749.46088	4.0
785.48120	13.3
803.50269	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75655	0.5
65.03955	0.9
67.05511	0.7
68.99777	1.4
71.50745	0.5
71.51122	1.2
79.05508	0.8
83.05006	0.9
93.03389	1.2
95.04958	1.6
107.04977	0.8
107.87935	0.5
111.04436	1.4
121.02864	0.9
123.04469	1.2
127.03954	0.9
131.04915	0.9
133.02856	2.2
135.04433	2.1
136.24962	0.5
137.05969	1.5
139.03911	100.0
140.04274	1.2
143.03369	0.6
149.05948	0.6
151.03911	6.7
153.01820	9.9
153.02986	0.9
153.05490	1.1
159.04485	1.4
163.03920	7.8
169.04967	3.5
177.05505	1.5
181.04950	5.3
184.49146	0.5
195.06534	2.2
205.04959	0.8
223.06006	1.3
289.07089	3.3
307.08130	11.6
382.46002	0.6
479.08002	0.7
786.19116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	18.8
57.07059	4.1
59.05013	3.4
61.02915	9.7
65.03938	6.4
67.05508	100.0
69.03431	27.8
69.06727	3.7
69.07074	37.0
69.20383	22.3
69.20786	4.7
71.04999	13.1
73.02908	4.7
79.05499	85.0
81.03427	40.9
81.07060	98.6
83.05000	19.7
83.08620	20.0
85.02916	15.3
85.06527	6.2
88.49738	2.8
91.03964	2.6
91.05486	79.8
93.07051	71.4
95.04977	20.2
95.08618	50.4
97.02914	20.4
97.06540	42.8
97.10184	13.6
99.04450	10.0
99.08090	4.1
105.07037	72.8
107.04968	23.3
107.08595	49.6
109.02869	6.6
109.06506	15.0
109.10169	41.8
111.04465	6.2
111.08070	6.0
115.05461	5.0
117.07027	34.3
119.08585	49.4
121.06494	9.4
121.10148	22.3
123.08066	11.7
123.11673	8.0
125.09624	10.8
127.03929	10.3
128.06194	3.4
129.05475	4.4
129.06990	16.2
131.08572	35.7
133.06445	4.5
133.10127	45.1
135.08066	12.3
135.11696	20.0
137.09608	8.6
141.06998	10.1
143.08589	20.1
145.06488	5.3
145.10130	36.5
147.08018	4.8
147.11690	25.8
149.09627	20.4
149.13277	6.2
151.11203	4.4
155.08594	8.2
155.10707	3.2
157.10147	17.2
159.08022	6.1
159.11725	21.4
161.09636	5.8
161.13260	9.6
163.11191	11.9
164.09650	2.6
165.12820	3.1
167.08572	4.9
169.10127	13.1
171.08144	4.2
171.11674	13.8
173.04460	9.0
173.09679	7.8
173.11864	5.1
173.13272	13.9
175.11197	6.2
177.12723	6.8
179.10867	2.6
181.10104	6.4
183.11681	9.6
185.13287	8.3
187.11090	3.1
187.14845	4.3
189.11229	3.1
195.11694	7.2
195.13898	4.3
197.09608	4.2
197.13257	8.9
199.14842	5.6
201.16512	3.3
209.09631	2.9
209.13190	3.2
211.14833	5.5
213.12849	3.7
213.16411	4.8
217.15866	3.3
219.17690	3.6
225.16396	2.9
227.12715	11.2
229.14372	11.1
229.19586	4.8
239.18005	5.2
241.19563	4.1
247.20647	6.5
257.19064	13.3
259.20651	5.3
269.17484	8.0
273.18481	6.5
275.20102	83.7
291.19601	8.8
293.21124	7.2
301.21341	3.5
313.21484	4.1
347.22513	3.4
349.23743	44.8
366.90176	2.8
367.24826	2.9
393.28192	2.9
413.21609	3.7
413.30527	3.1
525.35468	5.4
527.36365	3.0
529.34558	5.2
531.37891	3.4
543.37018	13.6
605.42120	5.2
623.42963	30.5
641.44110	30.8
687.40094	3.1
785.47388	7.2
803.48657	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	802.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03191	1.7
57.03439	16.0
57.07079	48.9
61.02924	3.5
65.03931	3.2
67.05507	60.0
68.22703	1.7
69.03441	7.7
69.06724	2.7
69.07070	28.1
69.32433	8.1
69.32849	3.6
71.04981	5.4
71.08631	32.4
72.08945	1.5
73.02910	2.8
79.05496	41.7
81.03426	13.7
81.07060	79.6
83.04979	9.1
83.08622	19.1
85.02911	7.1
85.06532	3.5
85.10181	16.9
86.09695	3.1
91.03942	1.7
91.05486	36.3
93.07053	42.7
95.04978	8.7
95.08609	43.1
95.24574	1.6
97.02885	5.7
97.06543	11.0
97.10159	6.2
99.04469	1.8
99.08087	4.6
103.05463	1.7
105.04518	3.3
105.07036	26.6
107.04924	6.8
107.08599	25.5
109.02886	1.9
109.06501	5.7
109.10151	17.3
111.08048	4.9
111.11679	1.6
117.07030	14.5
119.08585	18.9
121.06512	5.3
121.10159	15.7
123.08063	3.2
123.11713	10.1
125.09615	3.6
127.03909	3.6
128.24217	1.4
129.07002	4.3
131.08572	18.6
133.06488	1.6
133.10130	20.0
135.08064	3.2
135.11716	13.4
137.09581	4.4
141.07014	2.0
143.05020	1.7
143.08598	2.8
145.10112	13.2
147.08083	2.0
147.11665	8.0
149.09590	12.5
149.13254	10.8
154.49101	1.5
155.08592	2.2
157.10132	3.3
159.08073	1.8
159.11716	9.7
161.13225	3.5
163.11205	8.0
171.11668	2.7
173.04285	2.6
173.13266	4.2
175.11203	2.1
177.12730	4.1
184.07315	6.3
187.11137	2.3
195.13846	5.4
197.13342	2.6
199.14903	2.0
217.15930	2.1
227.12817	4.2
229.19453	3.2
230.25941	1.7
239.17955	2.3
239.23634	4.0
247.20641	1.6
255.15993	15.8
257.19046	9.0
257.24808	2.4
267.15933	3.0
269.17493	42.1
275.20093	27.0
291.19629	2.3
293.17633	2.7
293.21106	5.0
313.27368	100.0
314.27853	2.2
331.22684	3.0
339.17969	2.4
341.96518	1.6
349.23758	23.7
367.24796	4.4
411.05624	1.6
413.21478	3.9
423.98059	2.0
493.38849	24.7
507.40482	91.1
508.40683	2.6
547.43604	3.1
580.20953	1.5
587.46704	29.5
605.47650	7.8
703.81873	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	22.6
57.06837	3.7
57.07079	44.7
59.05005	3.9
67.05505	50.7
69.03416	3.8
69.07069	30.6
71.08634	30.2
71.21368	8.4
78.86572	3.1
79.05497	38.2
80.34668	3.3
81.03418	5.7
81.06603	3.4
81.07056	52.5
83.04985	4.5
83.08637	22.8
85.02893	4.0
85.06503	4.4
85.10182	16.0
86.09705	7.5
88.94077	3.1
91.05485	39.7
93.07040	42.9
95.04967	6.8
95.08603	49.6
95.47826	3.0
97.02867	5.9
97.06532	5.6
97.10197	17.1
99.08107	6.0
103.07529	3.7
105.07032	46.4
107.08622	31.9
107.29292	3.5
109.06503	4.3
109.10162	19.1
111.08037	3.4
117.07016	22.6
119.08577	36.5
121.06528	3.6
121.10136	14.3
124.99914	3.7
125.09637	12.9
128.06171	3.8
129.06996	7.4
130.07779	3.9
131.08582	30.0
131.41031	3.5
133.10139	15.4
135.08040	3.8
135.11699	6.3
137.36397	3.3
143.08560	8.1
145.10130	23.9
147.08029	3.8
147.11655	16.0
149.09578	10.2
157.10133	12.2
158.72990	3.5
159.11719	27.5
161.13235	6.7
163.11226	5.0
169.10150	3.8
171.11607	5.6
173.13255	10.3
175.14796	5.7
183.11655	3.3
184.07349	25.5
185.13300	19.1
189.11263	7.1
189.79108	3.5
191.14357	3.6
203.14296	8.8
205.15872	5.0
219.17386	10.6
227.12750	26.1
239.17899	12.7
239.23654	5.7
257.18997	30.4
267.78479	3.2
275.17300	5.2
275.20053	50.8
313.27356	100.0
331.22662	12.1
349.23773	56.5
367.24734	5.6
483.36780	4.7
587.46802	67.3
588.47131	4.3
605.47699	8.9
718.36389	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	802.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	7.7
57.07079	33.7
59.04994	4.5
65.03918	3.6
67.05508	39.1
69.03429	3.9
69.07080	16.2
70.06606	4.9
71.04983	2.5
71.08627	20.2
71.52145	3.6
74.48388	2.4
79.05494	36.9
81.03393	3.7
81.07062	30.2
83.04986	4.3
83.08625	21.3
85.02931	3.1
85.10168	9.6
86.09703	6.7
91.05486	19.9
93.07040	16.5
95.08614	22.3
97.10174	39.6
105.07042	20.0
107.08608	49.8
109.10156	12.3
109.99805	2.4
111.08092	3.4
115.47613	2.4
116.07078	5.3
117.07010	4.7
119.08561	11.3
121.10148	4.9
123.11696	4.6
125.09647	38.9
127.03938	4.5
131.08534	8.5
133.10110	10.5
135.08040	5.2
135.11653	4.7
143.08614	3.0
145.10098	14.0
147.11685	7.0
149.09653	4.6
159.11725	4.9
169.10159	2.9
180.92728	2.4
184.07372	14.3
189.11256	20.4
214.13220	2.4
227.12787	100.0
229.19664	2.6
248.62819	2.5
257.18982	11.0
275.20059	42.7
313.27386	74.2
331.22632	10.3
349.23755	39.7
389.18005	5.5
483.37082	11.8
563.20404	2.5
587.38116	4.9
587.46790	60.4
588.46545	3.9
666.50269	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	802.567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	10.7
57.07085	51.7
57.47932	4.8
59.05000	7.2
67.05502	38.6
68.16755	5.5
69.07062	23.0
69.16289	55.0
71.08630	33.2
79.05505	37.7
81.03411	6.3
81.07058	48.4
83.04964	13.1
83.08624	29.8
85.02887	8.9
85.10177	27.3
86.09711	10.2
89.06074	7.2
91.05493	26.2
93.07058	25.0
95.04977	45.1
95.08604	39.2
97.02927	4.8
97.06490	8.0
97.10178	19.6
105.07056	30.1
106.90947	5.8
107.04942	10.3
107.08612	26.4
109.10126	16.9
111.04453	8.2
117.07016	9.5
119.08595	21.8
121.06503	7.8
121.10162	15.2
124.99985	8.9
125.09612	10.3
131.08540	7.3
133.10133	18.1
135.11703	9.8
140.17682	4.9
145.10150	11.7
147.11688	8.3
149.09610	15.9
159.11748	10.4
163.11179	12.9
184.07353	33.1
189.11237	13.3
217.65791	5.4
223.13338	23.8
227.12709	13.9
239.23741	6.3
256.66156	5.1
257.18964	5.6
269.17615	7.7
275.20078	53.8
293.21072	33.7
313.27386	100.0
349.23764	29.9
367.24762	42.4
375.41217	5.0
563.72620	5.7
587.46655	22.6
605.47900	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	800.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	17.5
57.07086	13.0
59.04995	1.8
61.02935	2.7
65.03943	3.2
67.05508	74.8
69.03438	9.2
69.07074	57.2
70.04917	1.3
71.04997	5.3
71.08638	4.2
71.42908	2.2
73.02965	1.7
79.05498	52.2
80.05877	1.6
81.03426	11.9
81.07063	84.8
83.04987	9.8
83.08624	35.4
83.09112	1.9
85.02902	6.4
85.06561	5.9
85.10183	1.5
86.09707	2.9
87.04457	1.5
89.06030	3.9
91.03925	1.6
91.05491	33.7
93.07050	57.3
95.04985	9.9
95.08609	47.1
97.02899	6.1
97.06538	14.7
97.10174	15.5
99.08110	4.1
105.04505	1.5
105.07038	25.5
105.07692	2.1
107.04968	5.0
107.08598	37.0
109.02877	3.0
109.06565	6.8
109.10164	17.4
111.08089	6.2
111.11729	3.7
112.99409	1.6
113.09658	2.6
117.07013	14.7
117.09074	1.3
119.06168	1.5
119.08594	21.9
121.06526	4.8
121.10157	27.3
123.08080	3.3
123.11710	7.6
123.85764	1.4
125.00115	1.5
125.09654	5.3
129.07030	4.7
131.08575	14.8
132.79967	1.6
133.08626	2.2
133.10133	14.8
135.08086	4.1
135.11687	23.0
137.09628	2.6
137.13263	3.6
139.11186	2.5
141.07040	1.5
143.08553	3.4
145.10109	12.1
147.11705	10.3
149.09663	9.8
149.13242	11.2
151.11177	2.2
157.10159	5.1
159.11696	13.8
161.13210	2.6
163.11226	6.7
165.12775	1.7
169.10136	3.4
171.11761	2.5
173.04362	2.4
173.09592	1.7
173.13275	3.9
177.12788	3.5
179.14384	2.7
181.04054	1.3
183.11687	2.2
184.07410	6.7
195.13843	6.3
217.15942	2.1
219.21095	2.7
227.12811	3.8
231.82402	1.4
237.22115	6.9
247.20534	2.5
255.15869	16.7
257.18976	6.7
267.16098	2.8
269.17511	34.5
275.20084	26.4
291.19565	2.2
293.21185	3.0
311.25821	100.0
312.26245	3.9
325.33899	1.4
349.23743	25.6
367.24789	4.7
413.21848	4.7
421.72675	1.5
491.37378	23.0
502.04071	1.6
505.38889	84.0
506.39063	4.0
545.41791	2.0
585.45258	27.1
586.45404	2.3
603.46216	7.7
613.42151	1.8
684.65393	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	11.2
57.07078	34.0
57.13439	2.5
60.32057	2.2
66.75997	2.3
67.05186	5.5
67.05508	26.7
69.03419	7.8
69.07070	29.8
69.52777	17.4
70.06586	8.7
71.04996	4.7
71.08630	21.4
79.05489	24.3
80.43574	2.5
81.03413	6.4
81.07060	31.1
83.04966	3.1
83.08626	13.7
85.10192	11.7
86.09696	5.5
89.06036	3.0
91.05470	15.0
93.07060	15.3
95.04981	7.6
95.08616	24.9
97.02885	8.8
97.10193	15.0
98.20790	5.9
105.07031	14.3
107.04978	5.0
107.08582	13.3
109.10171	13.1
111.04427	3.0
116.07108	10.3
117.07028	7.2
119.08576	10.8
121.06487	2.7
121.10164	4.7
123.08098	3.6
124.99969	3.1
125.09634	7.9
129.06999	4.6
131.08546	7.0
133.06482	4.1
133.10178	4.2
135.08078	2.9
135.11687	3.2
137.09566	2.7
145.10120	6.0
147.08067	6.9
147.11674	5.1
149.13202	2.8
161.09583	2.7
177.12807	2.6
184.07320	15.8
189.11261	3.6
193.80165	3.3
205.12149	2.9
223.13275	18.8
227.12766	5.0
239.23656	2.7
249.14932	4.6
267.15842	3.6
273.18430	17.3
291.19571	100.0
292.19861	4.1
313.27371	87.5
339.91147	2.5
365.23254	62.1
366.23581	2.6
523.39819	5.1
572.28046	3.0
603.46185	92.5
604.46436	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	800.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	7.4
57.07084	18.1
58.06584	1.7
60.08160	4.1
65.03919	4.0
67.05513	40.4
68.58796	1.6
69.03433	1.9
69.07079	13.5
70.06589	1.7
71.07365	2.9
71.08648	14.3
71.51595	1.5
71.52007	2.2
79.05506	21.5
81.03418	5.7
81.07069	43.3
83.04992	7.6
83.08630	8.5
85.02912	2.4
85.06537	4.8
85.10180	7.3
86.09721	20.2
91.05494	39.3
93.07060	26.3
95.04977	9.0
95.08616	19.3
97.06558	4.4
97.10163	4.1
99.04476	1.9
99.08144	1.8
105.07043	31.1
106.47392	1.8
107.04950	5.5
107.08616	22.4
109.06513	5.7
109.09486	2.4
109.10175	38.0
111.11823	2.2
117.07021	3.1
119.08589	7.3
121.06503	7.6
121.10088	4.0
123.08075	3.8
123.11703	8.6
125.00000	16.6
129.06996	1.7
131.08580	9.2
133.06496	3.5
133.10135	47.4
135.08043	4.6
135.11678	2.9
143.08594	3.5
145.10132	5.0
147.08098	2.6
147.11668	2.2
149.09573	4.7
151.11191	23.2
157.10143	2.0
161.09601	6.3
169.12245	2.8
171.11665	2.5
173.13271	1.9
184.07356	64.0
250.37703	1.7
251.12793	4.6
253.14388	100.0
254.14658	2.0
263.19946	3.0
273.18515	19.6
291.19516	18.0
313.27408	42.0
314.28012	2.4
347.22296	5.1
365.23294	22.5
385.85849	1.9
509.38580	14.1
585.45117	2.9
603.46320	44.5
604.46906	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35783	0.3
65.03941	2.1
67.05503	2.6
68.99801	3.0
69.03392	0.5
69.07053	0.8
70.06586	0.4
70.74885	0.8
70.75210	0.5
72.00444	0.4
77.03934	0.7
78.45015	0.4
79.01858	2.1
79.05509	2.1
81.03422	1.2
81.07041	1.2
83.01337	0.6
83.04983	0.4
85.02915	0.5
91.05465	1.6
93.03409	1.6
93.07034	0.5
94.04177	0.5
94.87009	0.4
95.04980	5.0
95.08624	0.7
97.02888	1.0
100.26748	0.4
100.37918	0.5
103.05477	3.6
105.03387	1.7
105.04540	0.4
105.07024	0.9
107.04966	1.9
107.08615	0.5
109.02865	1.1
109.06512	1.0
109.10126	0.5
109.71968	0.4
111.04472	2.0
115.05400	0.5
117.07019	1.6
119.04976	0.9
119.08565	0.5
121.02893	1.5
121.06502	0.9
121.10168	0.5
122.03646	1.2
123.04446	7.6
125.02351	1.0
125.05997	1.7
127.03893	1.0
131.04930	7.7
133.02846	5.0
135.04396	3.8
137.04909	0.5
137.05984	19.5
139.03909	37.4
140.04280	0.5
141.05545	0.5
143.03406	1.9
145.06502	3.8
146.94383	0.4
147.04431	1.9
149.05978	1.2
151.03909	100.0
152.04242	1.3
153.01840	32.3
153.02927	2.2
153.05443	6.4
157.06479	0.5
159.04434	1.0
161.05971	1.1
163.03914	62.6
163.07568	2.3
164.04221	1.0
165.05516	1.1
167.07063	0.5
169.04984	6.1
169.06358	0.9
173.05969	1.5
175.03918	7.7
175.07430	0.7
177.05476	2.0
177.09145	2.1
179.03358	1.0
181.05028	2.9
185.06017	1.7
187.07541	2.0
189.05441	2.8
191.07045	5.2
191.08626	1.7
193.04985	1.7
195.06517	0.7
197.06038	0.8
203.07106	1.1
205.04991	8.1
205.08578	6.0
213.05490	2.2
217.05008	0.4
218.07231	0.5
219.08078	4.4
227.07185	1.1
229.05090	1.0
231.06564	1.3
233.08047	1.1
236.08388	0.6
237.05426	0.6
241.04939	0.7
247.07629	3.6
251.10716	1.8
255.06508	2.4
259.05984	7.8
264.07849	0.5
273.07587	1.7
279.10150	4.6
280.10745	0.7
283.06021	4.7
301.07077	55.7
302.07349	1.7
311.12820	4.3
319.08124	37.8
320.08112	0.7
321.06091	4.3
329.13837	70.5
330.14105	1.5
332.24875	0.4
453.08490	0.5
471.09256	13.7
479.17020	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.5
58.53540	1.0
61.02934	8.7
67.05502	7.0
69.03435	5.1
69.07074	2.0
71.05022	1.1
73.02925	6.0
76.25314	0.9
79.05502	4.5
81.03431	2.0
81.07061	7.9
85.02917	7.1
91.03990	4.2
91.05520	2.7
93.07060	5.2
95.08576	5.9
97.02899	6.2
97.10178	1.0
100.69270	0.9
101.02390	2.4
105.07072	2.5
107.08621	4.0
109.02905	1.4
109.10201	2.0
116.07153	1.4
116.81971	0.9
119.08568	1.6
121.10166	2.5
127.03871	1.0
127.21182	0.9
133.10153	1.8
139.40086	1.0
184.07378	2.1
191.09084	1.0
243.08481	1.9
248.35327	1.0
270.67905	1.0
519.29462	7.3
521.30725	5.5
529.81238	1.0
550.96301	1.0
799.53320	100.0
800.53784	7.1
829.33887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.7
58.06605	0.5
60.08162	5.7
67.05507	0.6
69.07075	0.4
70.81857	0.6
71.07375	3.9
74.74795	0.2
77.98389	0.2
79.05502	0.3
81.07045	0.4
81.77885	0.3
86.09706	30.9
87.10030	0.3
91.05467	0.3
93.07050	0.5
95.08601	0.3
98.98474	3.8
104.10736	2.3
105.07045	0.3
125.00003	21.2
126.11263	0.2
184.07341	100.0
185.07709	0.7
206.67303	0.2
586.52612	0.2
778.53802	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	797.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
57.72724	0.3
61.02641	0.6
61.02929	5.9
63.68274	0.4
65.89279	0.4
67.05508	5.3
68.43085	0.3
69.03439	4.0
69.07075	1.7
69.31094	2.4
69.31496	0.9
71.01386	0.5
71.05003	0.6
73.02918	4.3
79.05499	4.6
81.03424	1.3
81.07061	6.0
83.08662	0.5
85.02907	5.8
85.03384	0.6
86.52577	0.4
87.04478	0.5
91.03955	3.9
91.05489	2.9
91.79285	0.4
93.07043	4.3
95.08607	4.7
97.02896	5.7
99.04469	0.5
101.02399	1.7
103.03986	0.4
105.07049	1.9
107.08598	2.1
109.02878	0.8
109.10165	1.3
117.07056	0.4
119.08637	1.0
121.10174	1.7
127.03911	1.8
131.08601	0.8
133.10182	0.9
135.11681	0.8
145.10168	0.6
147.11783	0.6
159.11693	0.6
243.08490	1.5
280.98511	0.4
300.45459	0.4
335.25946	0.7
407.56909	0.4
505.90826	0.4
519.29327	13.7
520.29553	0.4
797.51776	100.0
798.52026	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	795.45
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.5
57.62823	0.4
61.02931	5.4
61.26853	0.4
65.87199	0.4
67.05183	0.6
67.05509	6.6
69.03439	3.5
69.07055	0.8
70.49603	0.4
71.51398	0.5
71.51833	0.5
73.02917	3.7
79.05514	2.1
81.03419	1.4
81.07062	4.2
83.08619	0.6
85.02910	5.3
86.41466	0.5
87.04487	0.9
91.03960	2.8
91.05499	1.9
93.07048	2.6
95.08604	3.5
97.02886	4.4
97.06551	0.5
99.04458	0.7
101.02390	1.8
105.07043	1.0
107.08627	1.9
109.02856	0.5
109.10155	4.4
117.07082	0.5
119.08622	0.9
121.10188	1.1
121.65982	0.4
123.11762	0.5
127.03925	1.5
145.04840	0.7
152.61548	0.4
155.10672	0.5
173.11754	1.2
173.13174	0.6
176.99162	0.4
185.04298	0.9
195.09871	1.0
220.36459	0.4
229.14438	0.8
243.08501	1.9
328.91455	0.5
335.25888	1.0
413.17850	6.2
519.29303	7.5
520.29852	0.5
691.40302	100.0
692.40564	6.9
749.44263	0.9
777.43567	1.0
795.43933	6.5
796.45459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
58.22655	0.6
61.02930	5.8
63.38700	0.7
67.05509	6.3
69.03434	4.4
69.07069	1.8
71.05010	3.4
71.51767	0.8
73.02934	3.8
79.05489	3.4
81.03414	2.4
81.07059	7.5
83.08620	1.5
85.02911	5.4
91.03951	2.8
91.05488	5.2
93.07039	3.4
95.08612	2.2
97.02915	4.3
97.06522	1.7
99.04443	0.9
101.02397	2.0
105.07048	3.2
107.08598	2.9
109.02873	0.8
115.52596	0.7
117.07035	1.0
119.08568	0.9
121.10189	1.5
123.11736	0.9
127.03908	1.7
131.08566	1.1
133.10149	2.2
135.11743	1.4
145.10196	0.7
151.11269	0.9
159.11676	1.1
235.33752	0.8
235.49295	0.8
243.08530	2.9
250.45932	0.8
267.15793	1.1
333.20419	1.7
414.82111	0.8
439.19470	1.2
453.21387	1.1
463.19879	0.8
485.23520	8.2
551.28290	6.4
795.44989	100.0
796.45184	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37114	0.4
57.03431	1.7
61.02932	4.2
63.09089	0.4
65.03933	0.5
67.05511	4.1
69.03434	3.3
69.06279	0.5
69.07073	1.9
71.04996	2.2
71.05358	0.6
71.23865	0.8
73.02529	0.6
73.02910	3.2
79.05499	4.7
81.03419	3.9
81.07059	4.9
83.08625	1.3
85.02922	4.5
85.06530	0.7
86.09724	0.7
87.04458	0.4
91.03954	2.6
91.05486	4.4
93.07060	5.0
94.09753	0.5
95.04978	0.9
95.08624	2.0
97.02895	4.3
97.06525	0.8
99.04485	0.9
101.02403	2.0
105.07042	3.0
105.58578	0.5
107.08583	2.9
109.02848	0.7
109.10198	1.6
109.14616	0.5
117.07065	0.9
119.08604	3.2
121.06506	0.6
121.10183	2.6
127.03944	1.5
129.07036	1.1
131.08577	1.6
133.10149	2.1
135.11708	1.0
143.08583	0.6
145.04944	0.6
145.10175	0.9
147.11743	1.4
149.09650	1.4
157.10187	0.8
159.11790	0.5
161.13252	0.5
175.11285	0.9
184.07439	1.5
185.04337	0.9
193.12289	1.0
203.05211	0.6
228.87331	0.5
241.06821	0.5
243.08475	2.7
267.16013	0.9
271.07974	0.6
283.15173	4.5
283.17722	0.5
301.09143	1.3
315.10617	0.8
336.48703	0.5
339.17792	1.1
373.11261	0.5
383.17215	0.6
419.46155	0.6
465.21414	0.8
485.23682	2.2
501.23102	8.7
535.28790	5.7
551.28735	1.4
555.58118	0.6
573.25110	1.2
583.30011	0.6
601.28571	0.6
705.38245	0.8
795.45087	100.0
796.45367	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	794.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	15.4
57.07066	21.8
60.08141	8.5
67.05241	6.6
67.05504	84.2
69.07053	28.1
69.41131	58.0
79.05491	90.7
81.07055	100.0
83.04961	8.4
83.08611	20.0
86.09698	29.8
87.04455	41.6
91.05481	69.9
93.07048	86.7
93.68050	7.2
95.04960	13.8
95.08606	60.7
97.06530	9.8
105.07043	69.9
107.08587	44.7
109.10162	31.5
114.52362	8.6
117.07024	19.0
119.08590	58.3
121.10149	34.6
125.00024	8.4
129.07019	16.8
130.08627	15.7
131.08568	22.8
133.10146	41.1
133.50075	7.7
135.11690	21.7
143.08560	17.2
145.10107	29.5
146.53008	8.3
147.11681	37.5
149.13229	19.9
159.11671	28.8
161.13255	23.5
171.11633	10.0
173.13275	9.0
184.07347	92.4
185.13239	13.2
199.14897	8.5
241.19507	9.8
259.20572	53.9
315.23193	9.3
319.22656	18.5
321.24191	43.4
333.24344	36.1
335.25964	17.8
597.44904	32.5
655.66168	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	794.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	14.0
57.07080	7.3
57.94712	1.6
61.02917	4.4
65.03941	3.8
65.48180	1.5
67.05507	100.0
69.06731	2.9
69.07072	35.1
70.82077	4.4
71.04977	2.8
71.08640	3.1
79.05495	50.8
81.07058	97.7
83.04996	3.6
83.08617	19.7
85.02916	4.6
85.06538	3.1
85.10282	1.7
87.04476	4.1
91.03938	2.0
91.05485	28.5
93.07040	53.5
95.04986	3.4
95.08611	73.3
97.02959	1.8
97.06527	4.1
97.10153	8.3
105.04495	2.0
105.07033	26.0
107.08598	32.7
109.10159	31.1
111.08086	3.5
117.07022	6.6
117.65913	1.7
119.08583	20.3
121.06506	1.5
121.10144	26.0
122.24342	1.4
123.11703	14.1
131.08594	10.4
133.10124	18.2
135.11688	16.1
137.09612	1.8
137.13252	4.2
145.10101	9.4
147.11691	11.6
149.13234	9.4
159.11664	7.5
161.13245	7.4
163.14844	5.5
165.12794	1.7
171.11742	1.6
173.13293	6.6
175.14819	5.4
177.16335	2.1
185.13266	1.8
187.14862	2.5
189.16461	2.2
201.16374	2.2
241.19733	1.9
243.21014	8.0
259.20578	6.7
261.22125	17.1
263.23706	3.0
317.24600	4.0
333.24359	3.1
335.25787	76.7
337.27347	78.4
338.27466	1.9
339.28934	6.7
392.49915	1.9
393.31268	2.0
523.44769	2.1
597.48645	25.7
615.49817	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	794.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	1.1
58.06354	0.2
58.06604	0.3
60.08168	6.4
60.08479	0.3
64.91977	0.2
66.52061	0.2
67.05504	0.5
70.06599	0.2
71.07378	4.3
71.26630	0.3
79.05489	0.4
81.03401	0.2
81.07063	0.3
84.08155	0.3
86.09711	34.4
87.04469	0.9
90.34677	0.2
91.05498	0.2
93.07059	0.3
94.81554	0.2
94.93234	0.2
95.08561	0.2
98.97865	0.3
98.98479	4.1
99.55831	0.2
102.30815	0.2
104.10745	2.5
105.07019	0.3
107.08603	0.2
121.10133	0.2
125.00014	25.4
130.08643	0.3
137.86978	0.3
143.01048	0.3
155.79649	0.2
184.07353	100.0
185.07707	0.5
291.22403	0.2
776.52356	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	792.562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
55.05274	1.5
55.05517	19.7
57.03440	11.7
57.07070	3.7
61.02900	2.7
65.03939	3.8
67.05510	76.5
69.03436	1.2
69.06730	1.5
69.07073	18.1
70.75720	0.9
70.76055	2.2
71.05007	2.1
77.03923	1.4
79.05499	48.1
81.07063	69.2
83.04994	2.0
83.08638	8.2
85.02905	3.6
85.06530	2.7
91.04913	1.2
91.05487	25.1
93.07048	56.2
95.04956	3.1
95.08614	57.3
97.02882	1.1
97.06529	2.8
97.10156	3.7
99.08101	1.4
105.04482	2.0
105.07040	20.5
107.08607	28.4
109.06531	2.4
109.10164	25.9
110.42621	1.2
111.08060	1.1
117.07034	8.7
119.08588	15.9
121.10154	25.1
123.08083	2.0
123.11722	8.9
129.07031	1.6
131.08578	14.0
133.10135	15.8
135.11700	17.4
137.13264	2.5
139.11133	1.8
145.10136	10.5
147.11705	11.9
149.13251	10.3
157.10141	2.7
159.11729	9.9
161.13237	10.0
163.14810	6.0
165.12727	1.2
171.11688	2.6
173.13287	9.2
175.14816	4.3
177.12773	1.0
177.16412	2.2
181.10071	1.0
185.13365	2.1
187.14803	4.5
189.16348	1.7
191.14375	1.1
199.14825	1.3
201.16345	1.7
203.18140	1.1
217.19656	1.1
241.19501	3.2
243.21114	6.6
259.20593	5.9
261.22153	18.0
263.23676	2.1
268.73767	0.9
275.31180	1.0
317.24854	4.6
317.27966	1.0
333.24277	6.6
335.25818	100.0
336.26273	3.3
337.27441	10.8
521.43427	2.9
539.44885	1.2
595.47272	15.6
596.47552	1.2
613.48358	11.4
666.29932	1.3
703.99445	1.0
788.11322	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.9
55.05517	36.3
57.03435	16.6
61.02911	4.6
65.03940	8.2
67.05509	95.9
69.03433	10.2
69.07069	31.7
71.04994	16.7
73.13037	4.0
79.05496	72.6
81.03427	14.7
81.07059	100.0
82.45311	4.2
83.04996	7.9
83.08616	9.9
85.02909	6.3
85.06557	5.8
86.09712	18.8
88.21865	4.5
91.05486	71.8
92.78690	4.6
93.07044	96.5
95.04971	11.4
95.08615	68.6
97.02888	35.5
97.06522	8.6
97.10224	4.7
98.49219	4.9
98.98441	5.7
105.07043	52.9
107.08598	49.1
109.06507	6.5
109.10181	28.6
117.07044	16.6
119.08578	34.3
121.06504	5.1
121.10159	33.3
123.08026	5.6
123.11728	7.8
124.99971	11.9
127.03906	6.0
128.40771	4.3
129.07018	10.9
131.08575	30.7
133.10127	30.8
135.11690	31.3
143.08580	13.0
145.10159	23.6
147.11742	17.0
149.09547	5.0
149.13281	8.8
157.10161	11.2
159.11729	16.1
161.13280	18.3
171.11664	9.6
172.91132	4.9
173.13252	15.3
179.14302	5.8
184.07323	62.2
185.07690	5.3
185.13327	8.0
187.14824	11.8
213.16397	4.7
239.27989	5.0
241.19624	7.6
259.20566	23.1
261.22253	5.2
277.21664	23.1
335.25781	64.2
336.93491	5.1
351.25317	18.6
377.46201	4.6
479.14240	4.8
611.46466	20.1
642.85791	4.6
701.94171	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	790.5885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.7
55.05516	8.3
56.05839	0.9
57.03437	2.1
57.07079	100.0
59.05005	20.2
60.11898	0.7
61.02927	1.4
67.05508	13.8
68.05843	1.8
69.03422	1.2
69.07077	7.1
70.06575	0.8
70.07415	0.8
71.04977	1.3
71.08634	66.3
73.02929	2.3
73.06551	2.8
77.63950	0.8
79.05497	10.6
80.05829	1.5
81.03423	2.9
81.07062	13.2
82.07383	1.4
83.04968	1.4
83.08617	3.6
85.02908	2.9
85.10185	57.0
85.88880	0.8
86.09721	0.8
87.04469	11.9
89.06036	71.7
91.05483	9.2
92.05814	1.1
93.07050	10.8
94.07362	1.2
95.04982	1.9
95.08609	8.9
97.02895	1.5
97.06536	5.4
97.10175	4.2
98.06909	1.0
98.10488	0.8
99.11749	11.1
101.09638	1.3
103.07581	0.8
105.07027	9.1
106.07359	1.7
107.04960	2.0
107.07079	0.9
107.08599	7.9
108.08932	1.3
109.06530	1.7
109.10197	4.1
110.10506	1.1
111.08053	1.0
111.11713	1.2
113.06023	1.1
113.13300	3.1
116.07108	1.2
117.07018	3.1
117.09138	5.1
119.08596	5.7
121.06506	1.6
121.10146	4.2
122.10480	1.5
125.09666	2.1
127.03900	0.8
129.07065	1.3
130.08681	2.5
131.07068	4.1
131.08553	4.3
133.08611	51.1
133.10059	4.8
135.11720	2.3
137.09628	0.9
139.07544	0.9
141.06938	1.0
145.10147	3.6
147.11690	2.8
148.12047	1.0
149.09641	2.1
149.13348	1.0
150.09956	0.9
152.11572	0.8
155.17938	8.7
157.10197	1.3
159.11743	2.4
161.11809	0.9
161.13245	1.3
163.11214	1.1
169.10110	1.0
171.11690	1.0
173.13242	1.4
175.09685	3.2
177.11244	18.9
177.12686	1.0
184.07353	2.2
189.11212	1.3
197.13458	0.9
207.55504	0.8
213.22136	12.1
219.12299	1.2
221.13870	2.7
221.25249	0.9
227.12811	3.4
258.19406	0.9
265.16504	1.5
271.26324	3.4
275.20090	6.2
276.20374	3.6
283.17557	1.4
335.25812	6.4
336.26199	6.9
340.42990	0.7
349.23782	3.1
350.24115	3.3
371.22873	1.0
503.30627	5.7
505.35342	1.2
609.44812	1.3
610.45544	6.3
628.46637	2.4
673.92792	0.9
790.58032	2.5
791.44702	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	790.5884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.7
55.05514	9.1
57.03441	3.4
57.07080	100.0
59.04708	2.7
59.05003	49.1
61.02930	1.9
67.05511	17.8
68.05848	2.9
69.03427	3.2
69.07069	9.3
69.66153	1.1
69.84549	4.4
70.06594	4.0
71.04993	2.3
71.08636	98.5
73.02913	2.3
73.06550	2.0
79.05495	14.5
80.05807	1.8
81.03421	3.9
81.07063	16.3
82.07407	2.5
83.04964	2.2
83.08640	7.2
85.02917	2.6
85.10188	96.2
87.04485	15.1
89.06036	71.8
91.05480	11.5
92.05798	1.3
93.07043	15.1
94.07394	3.5
95.04977	3.8
95.08604	10.5
96.08945	2.0
97.02872	3.1
97.06532	5.9
97.10179	5.2
99.08107	2.2
99.11742	12.3
101.09666	4.5
103.07607	1.5
105.07044	8.1
106.07341	1.8
107.04974	4.2
107.08600	7.1
109.10152	7.1
111.08044	1.6
116.06355	1.3
116.07074	6.5
117.07027	4.8
117.09148	18.6
119.08575	7.9
120.08933	1.7
121.10168	6.0
122.10535	1.3
125.09686	1.9
130.08688	2.4
131.07034	2.6
131.08597	3.8
133.08609	57.0
133.10184	3.4
134.10483	2.1
135.11737	2.0
141.16385	11.4
143.08562	1.4
145.10141	4.6
147.11711	3.6
149.09628	3.6
149.13278	1.8
151.11168	1.3
159.11691	3.6
161.13266	2.0
163.11266	2.0
165.30296	1.1
173.13333	1.4
175.09686	3.7
177.11220	19.9
177.12714	2.0
183.11705	1.4
184.07356	4.1
199.20567	22.2
221.13800	3.9
227.12825	2.3
243.79623	1.1
257.24786	23.8
262.22614	1.3
265.16495	1.5
275.20135	7.7
276.20404	5.3
279.10144	1.3
335.25867	7.2
336.26105	6.6
349.23773	2.7
350.23978	3.0
459.28055	7.1
609.44867	2.0
610.45343	8.9
628.46344	3.3
668.74664	1.2
762.83405	1.2
790.58160	3.6
791.45221	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	790.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05526	0.7
55.11110	0.1
56.05040	1.1
57.03426	0.1
57.24604	0.1
58.06621	0.6
59.07389	0.2
60.08170	7.1
67.05512	1.3
68.05834	0.1
69.07073	0.4
69.29411	0.1
70.06591	0.2
71.07382	3.6
71.08616	0.2
71.22435	0.2
79.05504	1.0
79.68408	0.1
81.07057	1.1
82.07360	0.2
83.05004	0.2
83.08624	0.3
86.09712	32.7
87.10022	0.2
89.06050	0.2
91.05490	0.8
93.06631	0.1
93.07062	0.9
95.08621	0.8
96.08944	0.1
97.06529	0.4
98.98473	3.9
103.94836	0.1
104.10753	2.9
105.07057	1.0
107.04965	0.2
107.08602	0.5
109.06521	0.2
109.10156	0.3
117.07013	0.3
119.08591	0.5
121.06586	0.2
121.10139	0.4
125.00016	22.9
131.08594	0.3
133.08643	0.1
133.10135	0.4
135.11720	0.2
136.06172	0.3
137.20094	0.1
143.00990	0.2
145.10147	0.3
146.08145	0.1
147.11726	0.2
149.09615	0.2
151.11115	0.2
159.11800	0.3
166.02786	0.2
184.07355	100.0
185.07707	1.0
186.07733	0.1
222.15688	0.1
268.31680	0.1
275.19986	0.5
276.20419	0.4
286.23068	0.1
335.25809	0.5
336.25977	0.4
349.23721	0.2
362.07840	0.1
496.34109	0.2
610.45325	0.7
690.47083	1.4
772.54553	0.6
790.56036	2.1
791.55280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.3
55.05264	1.6
55.05509	16.9
55.94093	0.8
57.03440	8.0
57.07074	2.0
58.62044	0.9
59.05003	5.8
61.02917	2.7
61.47319	0.8
65.03925	2.4
67.05504	55.8
69.03429	2.2
69.07066	17.2
69.91908	3.1
71.04993	20.6
77.60905	0.8
79.05015	1.0
79.05489	29.8
81.03416	9.2
81.07056	100.0
83.04976	5.9
83.08620	12.0
85.02892	1.6
85.06520	6.6
91.05483	36.9
93.07043	30.6
95.04978	8.4
95.08608	22.1
97.02886	1.7
97.06530	8.4
97.10165	3.3
99.04446	1.2
99.08070	1.7
103.05504	1.0
105.07033	28.3
107.04948	5.7
107.08591	21.3
107.09303	1.2
109.06522	18.0
109.10162	12.0
111.08065	4.4
113.05995	1.4
115.05459	1.7
116.81940	1.0
117.07007	9.0
117.09127	1.4
119.08578	19.1
121.06499	4.1
121.10150	13.9
122.31005	0.8
123.08076	4.1
123.11711	12.4
125.09624	2.2
127.07529	1.3
129.06990	3.7
131.08572	10.9
133.06459	1.2
133.10136	21.3
135.08046	3.9
135.11690	8.2
137.09627	2.4
137.13228	1.2
139.11156	1.6
141.06949	1.1
143.08565	2.3
145.10130	10.4
147.08044	2.2
147.11670	14.7
149.09605	4.1
149.13266	10.9
151.11182	5.9
155.08528	1.9
157.10097	4.0
159.11700	9.6
161.09688	1.2
161.13254	3.8
163.11156	3.8
163.14804	1.2
165.12727	3.9
171.11699	2.4
173.09544	1.0
173.13274	4.7
175.11127	1.9
177.12747	3.5
183.11592	1.1
183.13815	1.8
184.07350	2.1
185.13298	1.0
187.11430	1.2
187.13292	3.5
187.14751	1.4
191.14247	1.4
193.12245	2.0
195.13809	2.4
201.12625	1.1
225.14836	3.2
229.19441	1.9
241.14433	0.9
243.15916	9.0
247.20561	2.4
257.17300	2.5
259.20670	1.8
267.16000	6.2
269.17453	11.0
275.20087	34.1
276.20541	1.6
277.21567	2.4
287.89026	0.9
293.21091	6.1
301.19989	21.8
349.23700	15.9
351.25345	3.0
359.58145	0.9
367.24789	10.2
375.25314	2.2
433.31030	1.3
469.32986	1.1
517.35272	45.6
518.35474	2.2
525.35559	2.7
531.36591	4.3
535.36188	10.1
543.36841	50.1
544.36847	2.0
549.37830	1.2
561.37830	34.0
561.46692	1.7
562.38080	1.8
575.39386	20.9
593.40527	15.0
594.40485	1.0
739.89960	1.0
791.39227	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.9
55.05278	1.2
55.05518	22.4
57.03443	9.1
57.07072	2.3
61.02921	2.5
65.03920	3.5
67.05508	69.9
69.03435	6.3
69.07079	23.1
69.27628	3.7
69.28048	7.9
71.05000	27.8
73.02942	1.2
76.56080	1.6
77.03880	1.4
79.05497	41.9
81.03408	11.7
81.07063	100.0
83.04984	10.5
83.08622	13.2
85.02895	6.0
85.06545	7.6
91.05486	40.7
93.06480	2.2
93.07051	39.0
95.04978	8.1
95.08613	23.2
97.02879	4.5
97.06533	13.4
97.10175	5.1
98.21460	2.3
98.29498	1.1
99.04466	1.3
99.08083	2.1
101.05972	1.2
105.04557	2.3
105.07040	26.6
107.04951	6.1
107.08598	27.1
109.02891	1.9
109.06521	7.2
109.10152	12.7
111.08099	5.9
113.05977	1.4
116.06216	1.3
117.07024	12.0
119.08581	15.6
121.06505	3.2
121.10155	12.4
123.08040	3.2
123.11681	13.6
125.09579	3.5
127.03941	2.7
129.07028	3.5
131.08562	16.2
133.10143	28.5
134.10522	1.5
135.08038	2.3
135.11690	10.2
137.09669	1.6
141.07065	1.6
143.08533	2.9
145.10143	9.4
147.11742	6.2
149.09636	6.5
149.13243	10.8
151.11200	4.6
157.10138	2.8
159.08087	1.7
159.11703	11.2
161.09578	1.6
161.13274	3.5
163.11180	5.1
165.12849	1.9
169.10115	2.1
169.12236	1.5
171.11617	2.4
173.04514	2.3
173.13255	2.4
175.11153	1.5
177.12733	4.4
181.10226	1.4
183.11678	2.0
183.13797	3.7
184.07353	1.6
185.13330	1.6
185.55403	1.3
187.13339	2.9
195.13805	4.7
201.14822	1.2
213.12769	1.4
225.14928	2.1
227.12793	4.8
239.17882	1.6
243.15912	3.6
253.14354	1.4
253.17621	1.3
255.16048	1.9
257.19244	2.4
267.15845	3.3
269.17484	11.6
275.20062	15.7
293.21118	1.6
301.20099	17.8
322.42209	1.2
331.22739	2.2
342.21268	1.3
349.23788	12.8
419.27972	2.3
423.27267	5.8
423.73520	1.6
435.31152	1.8
437.29025	19.2
445.29535	2.7
449.29077	15.5
451.30716	7.2
463.30545	15.8
464.31021	1.2
481.24976	1.2
481.31372	5.9
495.33182	33.2
496.33887	2.3
499.34076	3.5
517.35278	30.7
531.37109	2.5
535.35944	2.0
542.35400	1.4
543.36676	15.7
544.37225	1.2
549.37793	1.6
561.37909	3.2
575.39417	11.3
593.40906	2.7
607.34625	3.4
732.67200	1.4
744.36511	1.6
790.39984	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.4
55.05517	21.7
57.03443	11.4
57.07063	4.3
61.02914	2.6
65.03938	3.4
65.90711	1.5
67.05507	68.5
69.03438	7.9
69.07073	19.2
71.04997	37.7
73.02901	1.8
73.06541	1.6
79.05497	43.2
81.03412	9.2
81.07059	100.0
82.07373	1.9
83.04979	8.9
83.08626	11.1
85.02900	6.3
85.06544	6.5
91.05483	51.2
93.07048	46.1
94.07364	1.6
95.04993	9.9
95.08611	23.9
97.02884	5.6
97.06541	10.4
97.10188	2.9
99.04438	1.7
99.08080	4.8
103.05353	1.6
105.04513	1.8
105.07039	41.7
107.04978	3.1
107.08600	25.8
108.67638	1.4
109.06528	5.5
109.10153	13.4
111.08065	5.1
115.05402	1.7
117.07007	12.6
119.08588	25.0
121.06526	2.0
121.10153	11.7
122.06802	1.4
123.08072	4.1
123.11710	11.2
125.09625	3.7
127.03889	2.4
127.37082	1.3
128.06204	1.5
129.06999	6.1
131.08563	19.2
133.10138	34.7
135.08057	2.6
135.11697	11.4
137.09616	2.0
139.07471	1.5
141.07030	2.0
143.08571	7.5
145.10103	13.1
147.11693	15.2
149.09627	5.1
149.13274	10.1
151.11171	6.6
155.08592	1.8
157.10204	6.6
159.11725	15.1
161.13264	7.0
163.11182	2.3
171.11694	6.8
173.13257	5.6
175.11226	2.5
177.12798	3.2
179.14238	2.1
183.11797	1.9
183.13792	4.3
184.07356	3.6
185.13287	3.4
187.13272	6.4
187.14818	2.4
195.11699	2.0
195.13824	5.8
197.13280	1.7
199.14827	2.7
201.14807	2.8
207.13857	1.4
211.14859	2.6
213.16544	2.0
216.06381	3.2
227.16441	2.2
241.19534	4.4
243.15913	3.1
253.14352	1.7
257.17255	2.0
259.20663	10.2
267.15952	3.1
269.17450	9.8
275.20093	9.8
293.21109	2.1
299.18552	2.0
301.20120	17.5
315.23218	2.2
331.22791	1.9
333.24255	10.4
335.25854	1.8
341.25430	1.3
349.23819	4.9
373.68567	1.7
409.30844	2.4
435.32104	2.1
437.28964	16.0
449.28818	2.0
451.30725	7.2
463.30597	3.5
483.34351	2.4
495.33481	13.7
499.34070	1.7
501.35764	30.0
517.35297	10.3
527.37537	12.8
535.35437	1.9
543.37213	1.6
545.38153	3.2
559.40381	7.2
593.39203	2.8
706.58521	1.8
760.58289	1.7
790.51105	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.5
55.05516	26.0
57.03439	18.4
59.05004	2.4
61.02938	3.4
65.03950	3.2
67.05514	80.9
67.32730	2.4
69.03411	6.1
69.07080	21.3
70.65621	5.1
70.65972	2.3
71.05003	27.1
79.05074	4.6
79.05502	62.0
81.03434	35.9
81.07066	100.0
83.04981	11.6
83.08635	21.1
85.02910	5.6
85.06538	7.2
87.04462	2.3
88.49460	2.5
91.05489	73.4
93.06489	3.3
93.07056	61.6
95.04976	19.3
95.08615	36.7
96.08980	2.2
97.02886	2.9
97.06531	8.6
97.10164	9.2
98.20869	3.0
99.08141	3.4
105.07038	63.9
107.04968	8.4
107.08607	35.4
109.06506	8.3
109.10169	15.8
111.08086	8.3
115.05482	4.5
117.07037	24.9
119.08589	42.7
121.06501	5.3
121.10155	26.5
123.08092	5.4
123.11691	8.5
123.47072	2.5
125.09613	6.8
129.07030	21.1
131.08595	45.4
133.06483	2.3
133.10141	33.9
135.08073	5.0
135.11710	12.7
135.40375	2.3
137.09628	4.2
141.06982	4.6
142.07806	3.4
143.08578	12.6
145.06572	2.7
145.10133	30.1
147.08113	3.2
147.11685	23.0
149.09621	8.5
149.13297	7.3
151.11201	6.4
155.08562	8.1
156.09508	2.2
157.10156	16.8
159.08067	3.3
159.11737	24.0
161.09668	2.4
161.13295	8.4
163.11156	6.6
167.08615	3.4
169.10127	8.7
171.11714	13.8
173.13316	13.9
175.11168	5.7
175.14868	4.4
181.10103	5.6
183.11711	8.1
184.07314	4.5
185.13286	16.1
187.13348	3.4
187.14873	5.5
189.11243	4.1
193.12241	5.4
195.11714	5.7
197.13303	5.1
199.14799	5.9
201.16475	2.6
203.14267	4.0
209.13326	3.0
211.14915	3.1
225.14702	2.8
227.12773	7.9
239.17952	6.5
241.19582	2.9
243.15843	4.8
257.19122	11.8
259.20615	11.7
267.15933	16.6
269.17453	6.9
275.20102	10.7
291.19769	4.3
299.23685	4.8
301.20129	15.4
329.21161	3.1
331.22800	2.8
333.24219	7.9
349.23816	13.6
421.25983	5.9
433.31000	10.6
435.27725	3.0
437.29703	3.3
445.30139	2.8
451.31973	9.9
469.33185	4.5
471.30984	4.7
495.33112	3.9
499.34171	13.8
507.34573	3.2
517.35175	19.9
525.35712	38.2
531.36554	4.2
543.36853	71.5
544.37549	4.2
557.37891	9.2
561.37762	4.1
575.39563	23.9
762.13220	2.3
791.41406	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	790.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.3
55.05515	39.0
57.03199	1.7
57.03444	19.8
57.07075	7.0
59.05006	38.7
60.30865	1.1
61.02917	3.5
62.30015	1.1
65.03928	3.9
67.05509	100.0
68.05828	1.4
69.03437	6.3
69.07075	18.1
69.28774	3.5
69.29206	6.3
70.06582	2.6
71.04995	10.7
71.08641	5.9
73.02900	2.4
73.06571	1.3
79.05500	53.2
79.05968	2.5
80.05799	1.7
81.03418	7.4
81.07064	54.9
83.04989	6.3
83.08624	17.4
85.02902	6.9
85.06536	3.3
85.10183	2.9
87.04477	44.9
89.06033	4.2
91.03945	1.9
91.05483	31.7
92.05791	1.8
93.07050	45.4
93.07639	2.3
95.04983	7.0
95.08617	38.4
97.02893	3.4
97.05997	1.0
97.06525	6.1
97.09557	1.7
97.10173	21.3
98.20850	1.9
98.21478	2.0
99.04465	18.5
99.08058	2.1
99.11752	1.3
101.06005	2.0
105.04510	1.7
105.07042	17.6
107.04948	2.5
107.08602	27.8
109.06507	4.3
109.10162	48.7
110.10487	1.3
111.04423	4.1
111.08090	5.5
112.00321	1.1
115.03937	1.0
116.07075	3.1
117.07027	7.0
119.08589	14.4
121.06501	1.5
121.10153	18.5
123.11684	4.5
123.12473	1.1
125.06074	1.3
125.09645	18.9
127.03938	2.5
129.07030	1.7
131.08574	11.6
133.08575	2.1
133.10150	9.9
133.76443	1.1
135.08109	1.1
135.11700	12.5
137.09593	2.4
143.08554	2.2
143.10664	2.2
145.10135	10.5
146.10382	1.6
147.11707	8.1
149.09624	2.9
149.13293	6.7
153.12697	1.9
155.08586	1.6
155.10666	5.2
157.10107	3.6
159.11676	6.6
161.13260	4.7
163.11166	3.9
163.14825	2.9
171.11662	2.3
173.04497	1.2
173.09636	1.3
173.11739	16.4
173.13275	6.7
175.11105	1.2
175.14746	1.3
177.11259	1.8
177.12767	2.5
181.12189	1.4
184.07379	4.6
187.14737	1.4
189.11168	2.9
189.12712	1.5
191.10768	1.4
193.12363	2.4
199.13306	11.4
199.14851	1.9
209.11646	1.6
210.76486	1.1
217.14316	1.7
223.13248	1.7
225.14749	2.0
227.12762	6.7
228.13107	1.2
229.14346	42.1
241.14343	4.3
241.19499	1.4
243.21066	4.1
244.45461	1.2
257.13782	2.3
257.18970	1.3
259.20581	2.1
261.22162	13.2
267.15903	5.8
275.20020	3.3
276.20352	1.8
283.15442	2.4
289.21655	1.6
315.17944	8.3
317.24762	1.8
333.19006	1.9
333.23953	1.6
335.25821	65.5
336.26114	4.7
349.23441	1.7
351.25418	2.7
363.25235	3.3
463.30646	1.1
477.35733	20.5
489.35791	42.4
490.36023	2.9
505.35211	1.2
506.35999	1.9
507.36072	1.6
543.36572	2.7
575.39581	3.2
593.40662	2.6
610.45239	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	22.3
55.05275	2.4
55.05517	36.9
55.74436	2.3
57.03450	17.5
57.07070	4.9
59.04989	3.6
61.02925	11.8
65.03938	7.3
67.05508	100.0
68.05813	2.9
69.03446	15.4
69.07079	29.6
69.14848	18.2
69.15257	5.2
71.04998	11.6
71.08614	5.0
73.02916	4.8
77.03936	2.7
78.22076	2.1
79.05499	76.7
80.05796	2.7
81.02974	3.1
81.03425	20.7
81.06590	4.8
81.07061	93.7
82.07365	2.3
83.04985	11.8
83.08640	17.3
85.02912	14.5
85.06535	4.8
85.10181	2.6
87.04475	3.0
91.03954	2.8
91.05489	68.7
93.07049	77.2
93.07639	4.0
95.04996	15.6
95.08611	61.6
97.02885	12.3
97.06541	28.4
97.10189	11.9
97.82886	1.9
98.21548	5.1
99.04465	3.0
99.08090	3.0
103.05466	2.1
105.07030	61.2
107.04959	14.6
107.08610	50.8
109.02874	4.2
109.06511	9.5
109.10154	38.4
110.34185	2.3
111.08067	3.4
113.09657	2.0
117.07025	21.3
119.08584	40.1
121.06506	7.5
121.10155	27.6
123.04443	2.5
123.08068	5.6
123.11700	8.9
125.09608	11.6
127.03925	6.3
129.05458	3.0
129.06998	7.9
131.08583	28.2
133.10126	32.0
135.08038	6.9
135.11734	19.8
137.09595	4.8
139.07463	4.0
139.11238	3.5
141.06917	3.8
143.08595	11.4
145.04863	3.3
145.06516	2.7
145.10139	28.8
147.08041	3.7
147.11697	19.2
149.09625	18.1
149.13258	10.4
151.11185	6.0
155.08577	6.0
157.10132	7.8
159.08086	2.4
159.11722	19.1
161.09546	3.2
161.13255	9.7
163.11162	9.5
163.14832	3.2
167.08533	2.4
169.10106	6.4
171.11684	8.7
173.11885	4.4
173.13240	10.7
175.11215	4.1
175.14789	3.0
177.12686	3.4
179.14220	2.4
181.10120	2.4
183.11728	7.0
184.07346	4.5
185.13243	4.1
187.11165	3.8
187.14833	5.4
189.11220	7.6
189.16298	2.5
195.11676	2.4
197.13271	5.1
205.12128	3.1
211.14803	2.2
213.16409	2.5
225.16440	2.9
227.12743	11.8
229.14359	7.3
229.19493	4.9
239.18027	3.9
243.21095	3.8
247.20520	3.2
257.18945	10.8
259.20422	3.7
261.22186	12.0
267.15817	6.2
275.20084	61.7
276.20480	3.6
277.21497	2.9
293.21158	3.0
304.67102	2.5
317.20987	2.4
320.77713	2.8
331.22891	3.6
333.24347	3.4
335.25824	73.5
336.26175	5.9
349.23813	31.0
367.25128	3.4
431.31787	3.5
489.36011	5.8
505.35059	5.0
513.39191	4.6
515.37097	4.5
528.37732	2.5
529.38934	3.2
535.41418	3.2
609.45197	46.1
627.46259	21.0
768.91705	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	789.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.8
55.05522	9.0
57.03436	2.4
60.08144	6.3
61.02935	2.3
66.12165	1.7
67.05505	20.2
69.03433	3.6
69.07059	7.2
70.16792	6.5
71.07363	4.0
79.05502	16.0
81.03407	5.2
81.07063	18.8
83.04964	2.7
83.08614	4.9
85.01849	1.9
85.02908	2.1
86.09711	33.8
87.10019	5.3
91.05499	12.6
93.07061	16.7
95.04983	3.7
95.08605	13.1
97.02901	3.3
97.06522	5.4
97.10133	1.8
98.98455	5.5
104.10751	2.9
105.07022	14.2
107.04945	3.3
107.08571	8.7
109.06499	4.0
109.10144	5.3
117.07020	6.2
119.08570	9.0
121.06474	2.1
121.10117	5.0
123.11730	1.6
125.00013	25.0
125.09590	2.6
129.05353	1.8
129.07030	2.0
131.08548	6.0
133.10117	7.5
134.46762	1.7
135.11720	3.8
137.09695	1.8
143.41400	2.2
145.10123	5.5
147.11713	4.5
149.09645	3.6
149.13245	2.3
155.08492	1.8
157.10147	2.8
159.11708	5.5
161.13208	2.0
163.11182	2.6
169.10103	2.1
171.11705	3.0
173.13257	2.6
184.07346	100.0
185.07722	12.6
198.67422	1.7
202.10994	1.9
203.25986	1.8
227.12714	2.9
275.20032	11.5
327.15271	1.8
335.25946	9.9
349.23801	9.8
411.29166	2.0
515.37878	1.7
609.44897	8.4
627.45850	4.3
781.90515	1.9
789.53595	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	789.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	14.7
55.05268	1.6
55.05513	20.4
57.03437	5.9
57.07071	1.4
60.08162	1.4
65.03938	2.7
67.05508	50.6
69.03418	1.2
69.07072	25.4
71.04996	2.6
71.07370	1.4
71.51825	1.2
72.21303	1.2
79.05498	39.6
81.03440	5.4
81.07058	59.9
83.04978	5.5
83.08611	7.5
86.09722	6.1
91.05484	46.1
93.07047	43.5
93.07638	1.9
94.07416	1.2
95.01326	5.5
95.04973	9.8
95.08613	39.6
97.06535	22.7
97.10153	2.3
103.05460	2.6
103.43159	1.1
105.04474	1.9
105.07035	59.1
107.04960	10.1
107.08595	18.2
109.06511	4.0
109.10149	11.8
111.08076	3.2
115.05428	1.2
117.07019	10.0
119.08584	28.5
121.06516	2.4
121.10152	12.6
122.03704	1.2
123.04439	2.0
123.08071	2.9
123.11716	3.4
124.99999	4.1
125.00928	1.0
129.07016	2.0
130.07753	1.6
131.08562	18.1
133.10139	26.7
135.08072	2.9
135.11671	5.7
136.18668	1.0
137.09579	1.9
137.13184	1.0
143.08533	2.9
145.10115	11.3
146.61636	1.2
147.11685	12.0
149.09631	3.8
149.13242	4.5
151.11113	2.0
157.10162	2.7
159.11716	8.6
161.13298	2.6
163.11163	3.2
165.09192	1.7
171.11755	2.1
173.13258	4.2
174.95216	1.0
177.12717	3.3
179.14317	9.6
183.11685	1.4
184.07349	18.9
185.07686	2.4
197.13235	1.7
220.97694	1.0
239.18105	1.8
247.20741	1.9
257.18930	4.1
261.22223	1.1
275.20071	60.1
276.20599	1.6
293.21066	3.5
335.25815	83.3
336.26114	2.9
349.23779	18.2
493.34460	1.1
598.32922	1.1
609.45160	100.0
610.45563	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	788.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.3
56.05048	0.8
57.03437	0.2
57.07080	3.3
58.06364	0.2
58.06639	0.5
59.05000	1.3
59.07401	0.2
60.08170	6.3
60.08478	0.3
67.05510	0.7
69.03447	0.2
69.91924	0.1
69.92236	0.8
71.07381	3.5
71.08637	1.8
79.05499	0.4
81.03456	0.2
81.07057	0.4
83.08650	0.2
85.10188	1.9
86.09711	29.3
87.10077	0.2
89.06041	0.6
91.05509	0.4
93.07092	0.3
94.78996	0.1
95.04993	0.2
95.08596	0.2
98.98466	3.6
99.11740	0.3
104.10748	3.2
105.07026	0.2
105.94341	0.1
107.08614	0.2
107.29234	0.2
109.59632	0.2
113.13358	0.2
117.09160	0.4
119.08594	0.3
125.00013	20.2
126.00380	0.1
131.08600	0.2
133.08623	0.5
133.10080	0.2
135.08034	0.2
136.06198	0.2
177.11299	0.2
184.07350	100.0
185.07681	0.7
213.22168	0.4
236.90811	0.2
246.48856	0.2
271.26312	0.5
321.31085	0.1
379.45139	0.1
475.92023	0.2
496.33603	0.4
520.18372	0.2
690.47076	1.0
770.52283	0.5
788.42084	0.2
788.54364	2.4
789.53851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	22.2
55.05513	41.4
57.03440	13.7
57.07058	5.7
61.02930	17.7
65.03938	4.2
67.05509	84.3
69.03439	15.3
69.07076	49.4
71.01305	3.8
71.04987	8.4
71.08652	3.2
71.51638	3.6
73.02901	7.7
77.14532	3.7
77.80829	2.7
78.86704	2.5
79.05073	5.3
79.05501	65.3
81.03419	28.2
81.04691	2.8
81.06593	6.0
81.07058	98.9
83.04980	10.1
83.08604	24.2
85.02913	21.8
85.06543	4.4
91.03948	6.9
91.05486	83.1
93.07048	66.9
94.07368	3.3
95.04964	16.7
95.08614	56.3
97.02894	18.3
97.06546	23.7
97.10168	13.9
99.04453	5.1
99.08060	4.0
103.05499	4.8
105.04488	3.3
105.07037	73.8
107.04942	11.0
107.08606	46.4
109.02875	5.7
109.06503	11.3
109.10154	35.3
110.01150	2.8
111.04451	2.9
111.08063	8.6
115.05447	6.0
117.07018	29.5
117.74767	2.7
119.07816	3.9
119.08597	53.3
121.06490	6.8
121.10146	23.6
123.08057	5.1
123.11731	6.8
125.09622	8.2
127.03909	9.6
128.06232	7.9
129.07025	30.7
130.07780	3.1
131.08566	42.2
133.06432	5.5
133.10133	45.1
134.32263	2.8
135.08063	8.9
135.11684	14.5
137.09622	3.8
141.06998	9.9
142.07802	6.5
143.08560	32.1
145.06511	4.5
145.09221	3.6
145.10156	40.4
147.08044	6.0
147.11676	28.3
149.09624	12.6
149.13246	8.7
153.01849	3.4
153.07043	3.0
154.07776	3.9
155.08571	20.8
156.09357	7.0
157.10138	34.6
159.11703	29.0
161.09570	7.0
161.13246	10.3
163.11176	8.6
165.12743	3.8
167.08539	9.5
169.10133	30.2
170.10898	4.9
171.11745	24.5
173.09676	5.3
173.11887	4.4
173.13261	15.9
175.11063	3.9
175.14758	5.5
179.08632	5.2
181.10083	13.4
182.10970	3.8
183.11758	21.7
184.07256	3.1
185.13278	21.6
187.11246	3.5
187.14828	8.6
189.16472	3.9
193.10107	6.2
195.11688	12.9
197.09552	4.6
197.13300	17.3
199.11162	5.1
199.14795	10.9
201.16406	3.7
205.10237	5.4
207.11729	4.7
209.13243	10.5
211.14838	7.4
213.16338	7.6
223.14883	5.3
225.16393	8.6
229.14381	4.5
229.19542	3.5
233.13228	3.5
235.14879	4.1
237.16328	4.9
239.17944	8.9
249.16412	4.6
257.18942	6.6
259.20609	12.9
267.15942	10.1
275.20062	27.9
287.20160	3.2
292.19284	4.8
295.20560	4.2
301.21436	3.9
333.24197	5.9
347.22412	4.1
349.23840	11.1
421.30914	7.7
451.99066	3.1
495.34763	3.5
513.35840	46.5
515.38812	6.0
527.36780	4.7
533.39880	6.0
538.37219	3.9
541.35425	18.1
551.40582	6.9
607.43756	45.7
608.43964	5.0
625.34674	6.1
625.44702	100.0
626.44611	5.8
733.46124	4.2
769.48059	6.2
787.50018	21.5
788.48816	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	787.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	19.6
55.05520	39.0
57.03439	14.8
57.07082	7.6
61.02932	7.7
65.03959	4.2
67.05511	94.3
69.03440	23.3
69.06717	5.0
69.07072	45.1
70.75799	7.6
71.04990	13.4
73.02906	6.1
79.05069	5.4
79.05501	76.8
81.03424	53.4
81.07063	100.0
83.04996	18.1
83.08618	16.7
85.02898	18.5
85.06544	5.4
85.92332	2.8
91.03948	4.2
91.05485	77.5
93.07051	74.9
95.04974	17.4
95.08609	55.7
97.02909	22.0
97.06535	22.9
97.10179	6.7
99.04478	8.6
103.05469	3.5
105.04539	3.5
105.07040	83.6
107.04955	12.6
107.08607	37.1
109.02907	12.3
109.06523	11.1
109.10168	29.7
111.04437	4.8
111.08077	9.1
115.05433	7.4
117.07018	33.6
119.08590	59.5
120.08926	3.6
121.06511	5.4
121.10145	28.9
123.08106	7.7
123.11726	8.7
125.09615	4.4
127.03927	9.9
128.06253	5.3
129.05513	4.1
129.07031	22.5
130.07797	2.7
131.08585	44.0
133.06512	3.9
133.10143	47.1
135.08078	9.2
135.11720	18.3
137.09642	9.2
137.99663	2.7
141.07021	13.0
142.07837	3.4
143.08557	22.4
144.05725	3.1
145.06508	6.6
145.10132	39.4
147.08075	4.1
147.11693	37.8
149.09604	8.2
149.13251	11.9
149.14951	2.7
155.08536	14.5
156.94601	2.9
157.10133	24.4
159.08061	4.2
159.11710	23.8
161.09644	3.9
161.13263	15.6
163.11198	6.3
163.14835	3.6
167.08594	6.3
169.10077	15.9
171.08073	3.0
171.11705	20.0
173.04454	19.6
173.09663	4.0
173.13289	18.1
175.11218	4.7
175.14807	7.5
177.12721	3.5
181.10139	9.3
183.11700	16.1
185.13284	12.8
187.14893	7.6
195.11742	9.5
197.13304	11.5
199.14833	11.2
201.12814	3.6
201.16388	4.6
203.14331	3.7
205.10066	3.1
207.11809	2.9
209.13290	7.3
211.14789	6.9
213.16309	5.2
219.11604	3.7
223.14893	4.1
239.18159	3.7
241.19508	7.9
257.19022	5.4
259.20563	16.4
261.18921	3.2
261.22205	5.5
263.20108	3.2
267.15796	7.1
273.18600	6.6
275.20056	29.0
276.20407	3.7
291.19547	6.1
301.21600	4.4
333.24231	16.9
335.25806	11.5
339.23099	3.0
349.24060	15.2
368.64755	2.8
380.97101	3.2
459.27386	3.0
513.35577	9.0
515.38324	7.7
527.37354	15.4
531.37378	3.3
533.39850	5.7
607.43524	43.4
608.43506	3.5
625.44586	52.1
626.44708	3.7
649.44458	3.1
653.40234	3.3
671.41132	5.5
689.42133	11.3
751.46887	5.0
769.48505	7.8
787.48871	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	787.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	18.7
55.05265	3.4
55.05513	45.4
57.03442	17.7
57.07058	5.0
59.04991	3.5
60.11437	2.1
61.02928	14.2
65.03935	4.3
67.05508	98.8
69.03148	2.2
69.03438	26.7
69.07069	37.0
71.04984	10.2
73.02907	8.8
79.05495	74.9
81.03423	43.0
81.06590	4.6
81.07059	87.8
81.07533	5.3
82.07371	2.4
83.04980	12.8
83.08617	21.7
85.02911	19.0
85.06540	5.8
91.03966	5.3
91.05482	70.6
93.06490	3.2
93.07051	64.8
95.04975	17.4
95.08611	56.2
95.70156	2.1
96.08944	3.1
97.02902	24.0
97.06532	23.0
97.10181	12.4
98.20755	6.6
99.04449	4.8
99.08067	3.2
99.25847	2.2
103.03908	2.1
103.05425	4.2
105.04496	3.2
105.07038	65.6
107.04968	12.6
107.08604	43.3
109.02872	8.4
109.06517	9.4
109.10159	30.0
111.04441	3.4
111.08080	9.5
113.42582	2.2
114.70365	2.3
115.05447	3.6
117.07017	34.1
119.06111	2.1
119.08587	54.7
121.06535	6.8
121.10148	27.5
123.04411	2.8
123.08083	8.3
123.11663	10.7
125.09637	8.6
127.03916	9.1
128.06181	7.2
129.07019	21.9
130.64275	2.0
131.08572	38.8
133.06490	3.0
133.10124	41.8
134.10493	3.1
135.08029	6.6
135.11647	14.6
137.09618	5.3
141.07002	12.2
142.07758	6.6
143.08562	32.6
144.09242	2.5
145.06473	5.7
145.10126	43.1
147.08044	8.6
147.11679	27.6
149.09616	7.7
149.13248	10.1
151.11288	3.1
152.06262	2.3
153.06999	4.5
153.09013	2.4
154.07813	2.5
155.08571	12.9
157.10126	29.8
159.08102	2.4
159.11720	29.6
161.09607	4.6
161.13280	10.7
163.11159	5.9
165.07018	3.3
165.12811	4.0
167.08557	7.7
168.09296	4.3
169.10130	20.2
171.08040	2.4
171.11702	26.7
173.04459	12.7
173.11853	4.8
173.13269	15.0
175.11163	3.3
175.14822	7.7
177.12775	5.1
179.08563	5.6
180.09384	2.5
181.10094	11.4
182.10847	2.8
183.11674	17.0
185.09578	3.5
185.13277	20.4
187.11218	3.1
187.14812	8.1
189.11241	2.8
193.10133	6.8
195.11694	10.7
197.09619	3.6
197.13280	15.7
199.11250	2.4
199.14810	9.7
201.16399	5.1
203.18118	2.9
207.11743	5.4
209.13258	11.0
211.11244	3.8
211.14848	6.8
213.16400	5.9
215.14455	3.1
221.13232	4.4
223.14896	6.4
225.16377	7.1
227.12537	4.3
227.18088	3.6
229.14264	5.5
229.19431	3.3
231.20947	2.8
233.13319	4.0
237.16344	5.5
239.17947	4.6
241.19453	8.8
249.16426	4.0
253.19649	2.5
254.14073	2.8
257.18982	10.0
259.20648	10.8
267.15967	5.1
273.18579	5.2
274.22598	2.6
275.20047	17.5
276.20425	3.1
283.20358	3.4
291.19638	5.5
299.23557	2.4
307.20422	2.3
313.21591	4.3
333.24231	9.3
349.23709	9.7
421.30884	5.8
495.34512	3.3
501.35196	3.6
513.35895	32.4
515.38098	7.1
527.36993	8.5
533.39789	6.8
551.40527	4.6
560.98572	2.8
607.43683	39.2
608.43726	2.8
623.42468	3.2
625.44623	100.0
626.44788	9.0
649.44781	3.6
689.42157	6.6
715.44440	4.0
733.46600	4.6
751.46478	4.4
759.50983	2.5
769.47815	11.2
787.50238	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	787.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	19.8
55.05515	44.5
57.03440	20.5
57.07078	4.3
61.02911	13.6
64.65868	3.4
65.03934	6.3
67.05509	98.6
69.03428	22.6
69.07068	35.3
69.93355	13.1
71.04981	11.3
73.02922	6.2
79.05020	3.4
79.05495	75.3
81.03420	47.4
81.07059	100.0
82.07396	3.6
83.04976	14.0
83.08634	16.9
85.02913	19.9
85.06541	5.3
91.03964	6.1
91.05486	70.7
93.07050	74.6
95.04972	17.3
95.08606	55.9
97.02889	21.6
97.06532	20.7
97.10174	10.8
99.04443	6.3
99.08143	4.1
105.07035	63.7
107.04951	12.1
107.08598	40.4
109.02883	8.0
109.06553	8.2
109.10168	28.5
111.08075	12.2
113.06016	3.7
115.05460	4.1
117.07016	36.4
119.08581	53.5
121.06522	9.0
121.10152	29.2
123.08051	9.1
123.11683	8.8
125.09624	9.0
127.03925	11.2
128.06206	5.7
129.05502	4.6
129.07002	28.7
131.08574	54.1
133.06483	5.7
133.10130	41.3
135.08083	8.7
135.11687	19.0
137.09616	4.4
139.11169	3.4
140.01717	3.5
141.07010	12.5
142.07771	3.8
143.08578	32.9
145.10143	38.4
147.08003	4.5
147.11699	31.8
149.09630	12.6
149.13310	12.6
151.11241	4.1
155.08559	15.7
157.10100	31.8
159.11696	26.3
161.09589	5.4
161.13269	13.3
163.11189	6.2
165.12823	5.2
167.08531	7.9
168.09253	4.3
169.10149	26.0
171.11673	26.2
173.04478	16.7
173.11951	3.4
173.13293	13.2
175.11160	6.1
175.14804	6.9
177.12756	4.6
179.08498	4.4
181.10085	17.3
183.11710	21.4
185.09573	5.0
185.13234	19.3
187.14771	5.4
189.11247	5.2
189.12790	4.8
193.04926	4.5
193.10184	4.2
195.11705	12.9
197.13261	15.2
199.11151	4.2
199.14825	14.1
201.12660	3.3
207.11737	7.9
209.13281	8.6
211.14864	9.6
213.12694	4.3
213.16267	5.0
219.11642	4.9
221.13196	4.8
223.14801	10.3
225.16293	3.9
229.14436	5.3
235.14702	5.7
237.16412	5.7
239.17958	5.0
241.16058	3.8
241.19516	9.3
257.18979	7.8
259.20633	14.2
267.15927	5.5
273.18491	6.5
275.20160	18.2
315.23212	3.9
333.24213	9.2
335.25900	3.9
349.23721	9.8
387.81293	4.0
413.21286	4.2
446.31302	3.9
460.97049	3.2
471.97818	3.7
495.34418	6.2
509.36145	4.8
513.35944	26.7
515.37885	11.1
527.37646	19.0
533.39917	7.3
551.40491	6.2
589.42761	4.4
597.45233	4.7
607.43542	55.5
625.44659	90.1
626.44855	8.0
635.38672	4.1
671.41138	7.7
689.41986	10.7
733.46484	4.9
751.48224	6.1
769.48474	9.8
772.76288	4.4
787.50110	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	787.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	12.4
55.05261	4.7
55.05512	45.2
57.03449	15.8
57.07078	5.7
59.05001	2.8
60.26386	2.7
61.02930	19.0
63.46118	2.6
65.03934	6.7
67.05509	87.9
69.03419	21.2
69.07069	33.7
71.04991	10.8
73.02917	11.8
77.03886	2.9
79.05067	5.0
79.05499	64.4
81.03419	22.1
81.06587	4.7
81.07063	75.4
83.04984	10.6
83.08627	22.5
85.02902	21.4
85.06535	6.1
91.03965	8.9
91.05487	68.5
93.07047	60.1
95.04969	12.4
95.06291	2.8
95.08607	55.0
97.02903	19.1
97.06517	14.7
97.10172	12.4
99.04470	6.7
99.08073	4.9
101.02374	4.1
105.07034	60.8
105.07692	4.5
107.04965	11.5
107.08598	41.8
109.02879	4.4
109.06482	14.3
109.10152	22.4
111.08088	6.8
113.09576	3.4
115.05453	3.3
117.07023	27.6
118.27843	2.6
119.08584	42.0
121.06493	5.7
121.10145	27.0
123.08083	8.6
123.11747	8.1
125.09632	6.7
127.03926	3.7
128.06226	8.4
129.07021	21.9
130.07819	3.3
131.08574	44.4
133.06490	2.8
133.10121	30.4
135.08054	10.5
135.11678	15.0
137.09633	5.0
141.06970	13.0
142.07800	7.2
143.08580	30.1
145.06451	3.3
145.10118	35.2
145.11192	4.3
147.08044	5.1
147.11685	21.1
149.09619	8.8
149.13281	8.6
151.11119	4.0
153.06952	2.7
154.07741	2.9
155.08578	18.2
157.10126	28.4
159.08052	5.2
159.11694	29.8
161.09579	6.0
161.13289	11.7
163.11220	6.3
165.07037	3.0
167.08583	10.5
168.09351	3.0
169.10136	27.2
171.11687	25.6
173.09656	3.5
173.13252	13.9
175.11180	3.4
175.14851	7.0
175.53154	2.6
177.12875	3.5
179.08577	4.5
181.10138	15.0
181.94873	2.8
183.11728	22.7
185.09651	2.8
185.13217	14.1
187.14868	10.6
189.16423	3.1
193.10091	6.7
195.11780	13.6
197.13304	16.0
199.14862	7.6
200.15358	2.5
207.11720	8.5
208.12541	3.8
209.13254	12.1
211.14841	12.8
213.16521	3.7
217.15892	3.9
219.17459	3.6
221.13298	5.3
223.14862	10.8
225.16394	9.5
227.17969	3.7
229.17990	3.5
233.13306	4.9
235.14861	3.8
237.16422	6.5
241.19720	4.9
251.17953	3.7
257.18857	4.1
259.20541	9.7
273.18472	6.5
275.20099	20.9
285.22165	3.0
295.20654	3.0
297.22156	4.4
310.86734	2.9
315.23291	3.7
325.21704	4.2
333.24188	9.8
349.23911	6.6
365.28857	4.3
369.27869	2.9
403.29041	3.1
421.31018	5.6
495.35516	3.1
499.34320	4.3
513.35651	21.0
515.38342	8.5
527.36920	3.1
533.40137	4.8
541.39172	4.8
551.41071	5.0
553.38678	4.2
567.40271	3.6
589.41919	4.0
597.45013	3.4
605.42218	3.5
607.43579	58.2
608.43964	4.3
623.43488	3.4
625.44537	100.0
626.44891	6.8
733.46527	3.8
769.48303	5.9
787.49939	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01665	1.7
55.01872	18.5
55.05265	3.1
55.05512	38.4
57.03437	17.0
57.07075	4.6
57.26578	1.7
61.02927	11.8
61.41706	1.8
64.35805	1.7
65.03930	7.0
67.05507	100.0
69.03429	20.0
69.07071	33.7
71.01354	2.0
71.04993	10.2
71.51791	1.8
71.52171	2.7
73.02917	11.1
73.06523	1.7
79.05496	69.3
81.03419	27.2
81.07063	79.9
82.07356	2.1
83.04992	13.6
83.08629	18.6
85.02914	22.8
85.06548	3.6
91.03964	8.9
91.05487	70.5
93.07047	68.1
95.04969	13.0
95.08611	60.6
96.08941	2.2
97.02893	22.1
97.06523	19.1
97.10178	11.2
99.04441	4.4
99.08084	4.8
105.04494	2.5
105.07039	61.7
107.04955	7.5
107.08591	38.1
109.02892	7.2
109.06519	7.8
109.10164	40.9
111.04445	2.7
111.08063	7.6
115.05463	4.5
117.07026	36.1
119.08596	46.3
121.06506	8.4
121.10139	22.9
122.94933	2.4
123.04408	2.1
123.08071	9.8
123.11694	6.7
125.09610	8.2
127.03884	8.6
128.06236	8.4
129.05476	3.4
129.07022	26.1
129.42314	2.1
130.07739	2.5
131.08577	49.0
133.06560	2.3
133.10126	35.4
135.08052	8.5
135.11705	15.6
137.09610	5.1
139.11174	2.4
141.06970	9.1
142.07761	7.2
143.08562	28.9
145.04990	3.0
145.06400	4.3
145.10126	32.9
147.08026	4.5
147.11700	23.9
149.09604	7.9
149.13268	10.8
151.11124	3.5
153.06976	2.9
155.08575	21.9
156.09375	2.8
157.10147	26.7
159.08005	2.9
159.11684	21.3
161.05997	2.0
161.09619	6.8
161.13258	11.8
163.11189	6.1
165.07014	2.1
165.12775	2.4
166.07701	2.2
167.08603	9.9
168.09291	3.8
169.10144	20.0
171.10234	3.9
171.11665	22.3
173.04457	7.5
173.09651	2.6
173.11758	5.8
173.13261	17.2
175.11195	4.7
175.14825	5.7
177.09178	2.0
177.12816	3.1
179.08556	5.3
181.10138	13.8
183.11707	19.6
185.13235	13.1
187.11191	2.8
187.14850	8.2
189.11234	4.1
189.12788	3.1
189.16557	2.2
193.10201	5.2
195.11734	13.3
197.13278	16.4
199.11365	2.0
199.14769	12.7
201.16302	3.7
203.14232	2.2
207.11768	5.0
209.13283	9.6
211.14783	7.4
213.12810	2.4
213.16452	4.5
215.14323	3.5
221.13298	6.6
223.14806	6.5
225.16350	6.0
227.12808	5.8
227.18066	2.4
229.14287	8.8
233.13248	3.4
235.14777	3.6
237.16415	4.9
239.17998	4.4
241.19553	6.6
249.16362	4.3
251.17885	4.6
253.19594	4.1
257.19009	5.8
259.20667	9.1
263.17752	2.7
263.20285	2.5
265.15762	2.0
265.19449	2.7
273.18521	8.3
275.20126	19.8
277.21762	2.8
283.20840	2.3
285.18484	2.1
291.19473	3.6
299.20114	3.1
301.21457	3.6
309.22141	3.0
315.23016	2.1
323.23645	3.9
331.22989	2.4
333.24234	11.6
335.25916	3.4
336.26044	3.8
347.22586	2.1
349.23907	10.9
375.25351	2.1
379.30139	4.6
421.30981	2.8
435.32544	2.2
439.32849	2.5
445.31009	2.5
490.35519	3.4
499.34448	2.4
513.35767	20.1
515.38300	7.7
525.34680	2.4
527.37714	12.3
533.39825	10.8
537.35431	2.5
543.36444	2.6
551.40863	5.2
555.37140	2.6
567.40533	3.9
597.44971	3.5
607.43591	53.8
608.43549	2.8
609.45282	5.1
625.44659	94.7
626.44940	6.6
715.44946	2.4
733.46710	4.2
751.47565	3.0
769.48163	6.3
787.49701	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	787.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	27.5
55.05510	35.1
57.03428	13.6
57.07058	3.5
61.02923	5.9
65.03933	5.2
67.05508	97.9
68.05833	5.5
69.03434	8.8
69.07069	48.6
69.35909	2.9
71.04993	7.8
71.15807	6.5
78.21631	3.0
79.05492	68.7
81.03419	21.1
81.07056	100.0
82.07380	7.9
83.04981	11.4
83.08605	16.3
84.16555	3.4
85.02903	12.2
85.06531	4.1
91.05483	96.0
93.07043	69.9
94.07394	3.7
95.01315	6.9
95.04971	13.2
95.08620	49.8
96.08914	3.1
97.06528	29.0
97.10158	7.5
103.05499	4.4
104.51321	3.2
105.07034	89.8
106.07368	4.6
107.04966	17.2
107.08587	38.1
109.06509	10.1
109.10164	36.8
110.10490	5.1
111.08107	6.2
115.05447	3.8
117.07011	30.3
119.04897	3.3
119.08575	58.3
121.06515	8.8
121.10140	23.7
123.04436	4.5
123.08037	5.7
123.11678	5.4
125.09619	5.4
127.03901	5.8
129.07014	12.0
131.08586	34.4
132.08896	2.9
133.06512	3.4
133.10149	53.9
135.08066	6.3
135.11737	16.1
137.09602	6.5
141.06944	3.5
143.08562	11.5
145.06490	5.2
145.10138	26.7
147.11656	27.4
149.09607	4.8
149.13245	9.1
151.11246	5.0
155.08629	3.1
157.10139	14.1
159.11700	21.1
161.09685	5.3
161.13263	10.8
163.11201	6.9
169.10103	9.4
171.11688	10.9
173.11856	3.8
173.13284	10.2
175.11230	3.7
175.14864	5.9
177.12729	4.4
179.14331	8.7
183.11688	6.0
185.13290	9.0
187.11259	5.9
187.14854	5.9
197.13257	6.2
199.14827	4.3
203.26909	3.8
223.13234	6.2
229.14354	17.9
230.14700	8.5
241.19504	7.2
257.18927	7.0
259.20520	16.9
261.22104	7.6
273.18475	10.2
275.20078	61.5
275.22855	5.8
276.20453	6.3
291.19507	5.0
297.16846	7.5
298.17337	4.2
315.23141	8.6
333.24258	31.7
335.25903	23.6
336.26236	15.1
347.22006	4.7
349.23911	22.2
438.34750	3.2
490.36102	8.9
519.32404	3.8
607.43481	38.7
608.43140	4.7
625.44434	20.7
648.97815	3.4
787.49060	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	786.528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.2
56.05022	1.0
57.07063	0.3
58.06389	0.2
58.06632	0.5
59.07389	0.2
60.08164	6.0
69.07063	0.2
69.17656	1.4
69.18085	0.5
71.06985	0.2
71.07375	4.3
73.29305	0.2
77.76474	0.2
79.05525	0.2
81.07048	0.5
86.09707	33.3
93.07023	0.2
95.08617	0.5
98.20699	0.4
98.94846	0.2
98.97858	0.3
98.98463	3.8
104.10751	3.3
107.08563	0.2
115.31642	0.2
125.00008	22.2
166.02588	0.3
173.13402	0.2
184.07343	100.0
185.07706	0.6
195.47452	0.2
228.41158	0.2
308.29364	0.2
428.42236	0.2
470.93625	0.2
551.38708	0.2
786.52802	6.5
787.53619	0.4
815.62872	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	13.4
55.05513	50.8
57.03444	16.5
59.05011	2.7
60.08162	4.6
61.02908	7.5
65.03954	9.5
67.05509	97.6
69.03085	2.7
69.03432	33.8
69.07073	28.5
71.01359	2.6
71.04990	8.2
71.07372	2.4
71.24728	2.8
73.02885	5.6
78.34424	1.8
79.05497	100.0
81.03423	43.6
81.07060	92.8
83.04975	12.3
83.08624	25.2
85.02914	14.7
85.06527	3.9
85.10167	1.9
86.09702	23.5
86.33601	2.0
91.03963	2.3
91.05480	62.5
93.03334	2.0
93.06491	4.5
93.07050	79.5
95.04976	27.6
95.08609	61.0
97.02904	19.1
97.06517	9.1
97.10172	33.1
99.04457	6.9
99.08054	3.5
101.02370	2.9
103.05487	3.2
105.03387	2.4
105.04530	4.1
105.07034	50.5
107.04956	15.4
107.08599	52.4
109.02848	11.4
109.06509	11.6
109.10162	27.8
111.04457	5.8
111.08080	6.0
115.05454	5.2
117.07027	26.1
119.04958	2.7
119.08582	43.1
121.06512	9.6
121.10149	31.0
123.04462	3.1
123.08094	16.0
123.11689	7.4
125.00008	15.1
125.05922	2.4
125.09634	24.4
127.03928	19.8
128.06233	6.6
129.05470	2.1
129.07033	16.5
130.07722	2.6
131.04909	4.4
131.08575	28.6
133.06480	7.3
133.10147	22.0
135.08064	13.3
135.11681	13.0
137.09581	7.9
141.07010	3.6
143.08543	11.0
145.06386	2.7
145.10129	26.1
147.08047	15.5
147.11674	13.1
149.09624	9.0
149.13243	8.4
151.11198	2.3
153.09094	4.4
155.08566	3.2
157.10149	8.4
159.08060	4.5
159.11668	15.2
161.09621	8.7
161.13210	5.9
163.11172	8.6
165.09135	6.4
167.31075	1.9
169.10162	2.2
171.10220	2.0
171.11632	7.6
173.04480	7.7
173.09627	4.7
173.11903	2.5
173.13200	10.7
175.11179	7.3
175.14867	4.2
177.12729	3.4
181.10068	3.0
181.12263	3.2
183.11678	5.0
184.07352	65.1
185.09590	3.3
185.13275	4.4
187.11183	2.8
187.14792	4.4
189.11255	22.1
189.12756	3.7
191.10674	3.3
191.14360	2.4
193.12288	6.2
195.11697	2.7
199.11191	4.6
201.12883	2.8
201.16316	3.0
205.12239	3.6
211.13281	4.7
213.12907	2.5
217.15704	2.4
219.13843	3.0
223.13274	13.0
225.11188	4.5
227.12758	21.4
229.12279	3.8
237.16339	3.1
243.20993	2.5
245.13779	3.4
245.19026	3.1
247.13196	4.3
255.17459	6.5
259.20581	3.6
261.22159	6.5
263.20154	3.4
267.12192	2.7
273.18524	40.1
275.20016	6.4
291.19553	53.9
301.14359	2.2
303.23154	2.3
315.19681	4.0
317.24799	2.2
333.24228	3.6
335.25824	67.1
347.22244	15.8
349.23691	2.9
357.20313	2.7
365.23465	10.6
369.24182	2.5
389.22821	3.4
413.90280	2.0
435.23679	7.1
503.33392	4.8
505.35013	4.3
509.27557	6.2
607.43372	9.8
625.34515	3.1
625.44623	44.6
626.44690	3.5
667.45734	2.2
673.65320	2.6
689.42352	6.9
751.47736	3.5
769.48895	13.0
770.50702	2.8
787.50250	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	786.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.5
55.05512	19.1
57.03440	16.8
57.07071	2.6
58.45704	1.0
59.05011	4.2
61.02922	2.9
65.03946	4.1
67.05506	100.0
68.05829	1.4
69.03431	4.4
69.06726	1.3
69.07075	15.3
71.05004	5.4
71.51394	1.2
79.05013	0.9
79.05494	41.6
81.03417	12.2
81.07059	53.9
82.07403	1.1
83.04984	3.1
83.08620	10.0
83.32631	0.9
85.02914	7.2
85.06559	4.7
87.04483	1.7
91.05485	32.3
92.10331	0.8
93.07043	48.0
95.04976	8.6
95.08610	39.4
97.02892	3.6
97.06528	5.7
97.10181	4.2
99.04414	0.9
105.07034	18.0
107.04975	7.4
107.08598	22.8
109.06526	6.9
109.10160	65.0
111.04459	2.3
111.08096	4.5
115.05453	1.9
117.07018	8.5
119.08578	17.2
121.06493	6.4
121.10143	17.1
123.08064	2.9
123.11701	4.4
125.09632	3.6
129.06998	3.1
131.08571	14.2
133.10130	11.7
135.08086	2.6
135.11713	10.4
137.09634	4.8
137.13237	1.1
139.11198	1.3
141.07013	2.4
143.08565	3.9
145.10129	10.2
147.11670	6.5
149.09641	2.4
149.13283	6.5
155.10715	5.3
157.10101	2.1
159.11681	10.5
161.09665	1.4
161.13263	4.0
163.11185	1.3
163.13541	1.0
163.14796	4.4
169.10162	2.9
171.11615	1.4
173.11745	15.4
173.13269	6.5
175.14870	1.6
177.12743	2.0
183.11687	1.5
185.13298	1.3
187.11186	2.7
187.14888	1.8
189.11243	2.2
201.16251	1.0
205.12303	2.4
211.14769	0.9
219.17461	1.5
223.13274	11.8
227.12746	4.6
229.14359	62.5
230.14919	1.1
237.14827	1.1
241.10625	1.2
243.21101	5.0
259.20639	1.9
261.22192	16.7
263.23535	0.8
275.20105	1.5
278.37308	0.9
279.15970	3.3
297.16992	20.2
299.23782	1.3
311.18625	1.0
317.24780	3.4
333.24078	1.1
335.25809	86.9
336.26053	3.0
447.32678	1.2
489.35788	39.1
490.36111	1.6
507.36588	1.9
539.37170	2.8
557.38318	13.7
575.39288	2.9
607.43640	1.1
694.47394	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	20.4
55.05509	39.5
57.03432	16.8
61.02929	4.4
65.03932	7.6
67.05509	100.0
68.05827	3.7
69.03406	10.2
69.06800	2.6
69.07069	34.4
70.24685	12.2
71.04993	9.7
73.02895	5.3
73.66949	2.9
75.60371	3.2
79.05495	89.6
81.03403	20.3
81.06594	5.7
81.07056	77.8
83.04992	20.6
83.08608	18.4
85.02903	9.6
85.06531	9.7
91.05483	85.5
93.07044	82.5
95.04975	23.1
95.08604	57.2
97.02886	6.1
97.06541	28.5
97.10146	8.3
99.04412	4.0
99.08116	4.0
103.05464	4.3
105.04531	4.2
105.07037	69.3
107.04983	16.9
107.08601	33.1
108.08878	3.5
109.02908	7.5
109.06506	12.5
109.10168	28.5
111.08043	5.1
115.92117	2.9
117.07045	20.0
119.08578	46.9
120.08837	3.3
121.06496	11.6
121.10133	14.7
123.08075	8.0
125.09638	5.5
127.03957	6.1
128.06201	3.6
129.07016	25.1
131.08565	22.3
133.10127	22.8
135.08058	8.5
135.11682	9.9
137.09648	11.5
140.32574	3.8
143.08537	17.0
145.10150	21.5
147.08025	5.4
147.11690	35.1
149.09598	23.6
149.13350	4.5
151.11226	4.6
153.01845	4.2
157.10109	6.9
159.11693	13.2
161.09589	7.2
161.13274	13.3
163.11179	10.1
163.15196	3.1
169.10098	7.8
171.11694	22.7
173.11754	8.5
173.13252	8.6
179.14296	4.6
181.10135	3.9
183.11604	4.0
184.07332	7.7
189.11224	4.2
189.12726	8.9
197.13170	5.1
207.13768	21.8
227.12674	5.0
229.14316	8.4
239.17900	4.9
239.82123	3.1
257.19064	10.8
258.19101	3.7
273.18329	6.0
275.20068	36.0
276.20343	5.5
281.17459	40.7
283.15271	3.9
291.19547	7.1
295.14420	3.4
333.24338	3.7
349.23679	20.5
435.27417	21.8
466.63400	3.8
555.36676	27.5
557.34454	5.1
624.42865	9.7
625.44525	5.5
641.54968	3.4
650.76355	3.7
786.48633	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	785.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	21.8
55.05272	2.5
55.05515	37.6
57.03447	11.2
57.07075	5.3
61.02923	2.1
63.51718	1.9
65.03931	9.3
67.05511	95.5
68.34562	2.0
69.03437	29.9
69.06735	3.3
69.07072	48.7
71.05012	12.1
73.02890	3.4
79.05499	81.6
81.02936	2.6
81.03421	62.2
81.07061	95.4
83.04992	19.8
83.08630	20.9
85.02896	10.1
85.06518	4.5
87.13147	2.0
91.05488	100.0
92.05811	1.9
93.07055	74.3
95.01325	3.8
95.04978	28.8
95.08614	61.3
97.02888	19.6
97.06535	30.9
97.10184	10.9
98.21143	12.5
99.04465	10.5
99.08082	3.5
103.05427	5.4
105.04506	3.7
105.07040	92.4
107.04962	21.5
107.08598	45.1
107.89898	2.0
109.02879	14.2
109.06499	13.6
109.10156	29.2
111.04431	8.6
111.08103	10.4
113.09654	2.2
115.05441	5.0
117.07033	35.1
119.08594	64.7
121.06493	9.2
121.10146	25.0
123.04416	3.2
123.08065	12.6
123.11689	6.9
125.09594	8.1
127.03934	14.4
127.50020	1.9
128.06218	8.9
129.05484	3.9
129.07031	18.9
130.07762	3.2
131.04968	3.1
131.08580	42.5
133.06493	6.5
133.10143	51.0
135.04445	1.8
135.08060	10.9
135.11694	15.3
137.06012	2.7
137.09601	7.1
139.03908	2.2
139.07481	4.3
141.07008	6.4
142.07767	2.7
143.08560	17.3
145.06557	9.3
145.10133	37.2
147.08032	7.6
147.11696	24.5
149.05907	2.2
149.09630	16.4
149.13278	6.7
151.11234	3.1
153.01817	7.5
153.07021	3.9
154.07851	4.1
155.08571	12.2
156.09378	2.3
157.06497	3.3
157.10120	17.0
159.08040	6.1
159.11707	25.8
161.09622	7.3
161.13260	9.4
163.11172	11.7
163.14847	2.6
165.06976	2.4
165.12773	5.7
167.08560	5.9
168.09407	2.7
169.10106	14.3
171.07983	2.5
171.11671	12.7
173.04498	17.1
173.09587	4.1
173.11977	2.2
173.13263	13.2
175.11295	3.5
175.14934	2.5
177.12750	6.6
179.08501	3.3
179.14330	9.6
181.10098	7.1
181.12106	2.1
182.25226	2.0
183.06535	2.8
183.08083	2.3
183.11690	12.1
185.09608	3.7
185.13277	8.5
187.11176	4.7
187.14838	3.6
189.11229	5.1
189.12753	3.2
193.10161	2.7
195.11684	5.4
197.13272	6.3
199.11261	4.3
199.14789	4.0
201.12758	2.6
207.11710	4.3
209.13260	7.3
211.14821	5.0
213.12866	3.2
213.16371	3.7
221.13255	2.6
223.14832	3.5
225.16342	2.8
227.12677	2.9
229.14330	4.7
229.19501	5.5
239.17964	3.7
247.20592	6.9
257.19006	13.5
259.20514	5.3
273.18469	6.6
275.20093	92.6
276.20493	3.0
277.21835	2.2
291.19669	3.5
293.21106	6.6
299.20001	2.9
313.21487	2.4
325.21802	2.2
331.22720	5.4
341.20923	2.6
343.22940	2.1
349.23813	27.5
365.21042	2.8
383.21530	2.3
419.24417	4.5
493.27814	5.6
525.35651	4.7
531.38165	5.7
543.36523	7.1
570.31592	2.4
605.41669	8.4
623.42938	33.9
641.43811	2.5
687.40479	6.0
713.46338	2.4
731.45300	3.9
749.45972	4.6
767.46832	6.1
785.48438	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	785.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	15.8
55.05517	35.3
57.03446	42.1
59.04990	2.6
59.66188	2.6
61.02930	16.5
65.03937	7.5
66.41328	2.5
67.05511	93.3
69.03439	32.6
69.07079	30.2
71.01361	4.8
71.05008	16.1
73.02908	9.5
73.84809	3.1
79.05501	88.6
81.02981	4.0
81.03422	32.8
81.07066	100.0
83.04969	11.9
83.08636	16.1
85.02929	28.9
85.06550	8.8
89.06046	3.1
91.03957	9.6
91.05489	91.4
93.07053	83.8
95.04986	20.2
95.08613	65.3
97.02901	32.4
97.06531	23.2
97.10168	8.3
98.21516	7.9
99.04443	7.9
99.08105	13.0
101.02306	3.7
103.05494	6.3
105.04481	4.6
105.07043	78.5
106.38026	2.6
107.04980	14.3
107.08606	43.8
109.02891	10.8
109.06533	49.4
109.10172	25.9
111.04436	3.7
111.08090	12.6
113.09628	4.1
113.25915	3.1
115.05470	11.1
117.07019	46.0
119.08595	57.3
121.06513	9.5
121.10145	29.9
123.04419	4.2
123.08073	12.8
123.11713	7.6
125.09658	10.6
127.03927	15.9
128.06239	11.8
129.05505	4.9
129.07018	36.2
130.07918	3.4
131.08572	44.5
133.06505	5.9
133.10139	38.3
135.08060	23.1
135.11665	16.2
137.09653	8.2
141.06998	19.0
142.07761	8.0
143.08578	37.5
144.09351	3.3
145.06487	7.6
145.10138	48.3
147.08049	11.9
147.11682	24.1
149.09602	10.9
149.13231	5.2
151.11208	3.4
153.01859	5.4
153.07011	5.2
155.08560	30.1
156.09337	6.4
157.06552	3.9
157.10143	38.3
157.77809	3.3
159.08087	9.9
159.11697	34.0
161.09621	13.7
161.13271	11.1
163.11232	8.5
165.07040	6.8
166.07758	3.3
167.08563	17.5
168.09308	3.0
169.10115	35.1
171.08133	2.9
171.11710	24.5
173.09636	8.8
173.13312	13.5
175.11176	7.4
175.14851	3.4
177.12718	3.7
178.07840	2.9
179.08574	10.0
180.09271	4.9
181.10130	22.5
182.10924	4.5
183.08096	4.3
183.11697	30.1
185.09610	8.3
185.13303	20.5
187.11140	7.5
187.14806	7.7
189.12741	3.4
190.67413	3.1
191.08537	6.1
191.14499	3.1
192.09360	6.8
193.10158	15.0
195.11736	22.1
195.13353	3.9
197.09631	4.2
197.13310	21.1
199.11194	4.9
199.14825	8.1
201.07573	4.6
201.12741	7.3
201.16444	3.1
203.14352	6.8
205.10217	7.0
207.11760	13.0
209.09737	3.6
209.13283	16.9
211.14861	8.8
213.12808	4.4
213.16412	4.3
215.08997	3.0
217.09975	3.1
219.11729	8.8
219.17439	4.0
221.13301	11.8
221.15297	3.7
223.14857	9.9
225.16469	4.5
227.09178	3.4
227.14398	6.7
231.11673	2.8
233.13232	8.2
235.14879	11.2
235.17177	2.9
237.12759	3.0
237.16376	9.9
239.14313	4.3
239.18004	8.8
243.17696	3.1
245.13354	3.4
247.14856	8.0
249.16373	5.2
251.17998	3.8
255.17404	4.1
257.19028	16.5
259.20602	8.0
261.16376	4.5
263.18085	3.5
273.18597	11.8
275.20135	25.7
277.34180	2.9
283.20581	3.2
285.18494	3.7
291.19653	3.1
295.20941	3.4
307.20456	3.5
311.20056	3.9
323.87488	2.8
331.22818	3.5
333.24423	4.9
347.22403	6.1
349.23978	5.8
375.23148	3.1
379.26379	4.3
403.26022	4.2
419.29745	4.0
428.91010	3.0
459.32901	4.0
513.37085	7.6
531.38336	6.3
537.35297	3.7
549.38910	3.7
551.37262	13.6
553.38782	10.2
555.37103	3.3
565.39227	3.9
605.42114	35.8
607.43481	3.3
621.40771	3.7
623.33386	5.8
623.43134	94.5
624.43457	5.1
713.42450	4.8
749.46106	8.6
767.47369	14.1
785.48535	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	12.9
55.05513	64.1
57.03423	9.8
61.02929	12.5
64.44231	2.2
65.03934	5.4
67.05508	84.7
69.03437	16.8
69.07068	26.4
70.06561	2.5
71.01355	2.3
71.04977	9.2
73.02908	4.9
79.05494	52.2
81.03433	21.9
81.07063	69.5
83.04980	8.3
83.08621	23.8
85.02908	14.6
85.06544	5.4
91.03939	5.6
91.05491	58.3
93.07050	43.5
95.04950	13.6
95.08611	44.7
97.02897	16.0
97.06544	7.5
97.10183	28.8
99.04460	3.6
105.04539	2.3
105.07035	40.5
107.04965	9.8
107.08594	37.4
109.02905	5.0
109.06506	8.1
109.10157	23.9
111.04440	3.2
111.08113	4.8
115.05468	5.6
116.06277	3.6
117.07011	25.1
119.08595	32.7
121.06505	5.8
121.10125	18.1
123.08083	8.5
123.11713	3.7
123.59567	2.4
125.09637	28.2
127.03891	7.4
128.06219	10.3
129.06992	25.2
130.07800	2.6
131.08568	29.5
133.10117	22.4
135.04413	3.1
135.08057	10.0
135.11696	7.6
137.64796	2.1
137.66069	2.1
141.06969	21.3
142.07767	8.2
143.08559	26.1
145.06482	6.4
145.10117	20.8
147.08089	6.1
147.11676	11.8
149.09642	3.9
149.13277	2.9
153.01854	5.5
153.07016	5.7
153.09090	2.4
154.07735	6.1
155.05975	2.6
155.08527	20.8
156.09283	4.2
157.06494	4.6
157.10146	21.3
159.08067	3.5
159.11696	16.3
161.09621	5.5
161.13243	6.8
163.11253	3.7
165.07010	6.5
167.08566	11.8
168.09248	3.4
169.10126	22.2
171.08080	5.9
171.11652	16.7
173.04417	3.2
173.09622	4.7
173.13264	8.5
175.11244	4.1
175.14828	4.7
179.08572	6.7
181.10123	17.3
182.10902	4.1
183.08109	3.6
183.11702	19.1
184.07359	3.1
185.09641	4.7
185.13266	13.8
187.11157	5.8
187.14807	4.2
189.11180	17.0
193.10118	8.8
193.12337	4.0
195.11729	13.4
197.09680	3.6
197.13336	14.9
199.11172	5.7
199.14880	5.4
199.92561	2.6
205.10172	3.3
207.11667	12.1
209.13321	14.1
211.11201	5.3
211.14787	7.4
213.12862	3.0
213.16312	7.2
215.17961	2.9
219.11717	4.9
221.13321	6.4
223.11246	3.7
223.14880	7.7
225.12854	3.6
225.16469	4.0
227.12730	22.1
229.14169	3.1
233.13167	2.9
235.14812	5.2
237.16426	4.6
239.17918	4.2
247.14871	3.1
249.16504	4.0
259.20438	2.8
273.18546	9.3
275.20090	8.0
281.14920	2.4
291.19601	9.9
295.20575	3.0
309.22015	3.2
365.23212	5.4
367.22229	2.8
377.28320	3.3
379.29938	9.7
513.36975	5.8
531.38135	10.6
548.53113	2.8
549.39142	10.1
553.35107	3.9
554.35437	3.5
577.59454	3.0
605.42047	32.2
606.42072	2.8
623.43085	100.0
624.43542	6.4
731.44342	2.8
749.46014	5.9
767.46783	7.4
785.48431	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	785.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.8
55.05516	12.6
57.03431	5.5
57.07070	1.3
61.02928	22.8
65.03930	2.4
67.05171	2.2
67.05506	25.6
69.03439	6.6
69.07072	10.8
70.30293	1.4
70.30637	4.2
71.01360	1.8
71.04987	2.7
73.02914	5.6
79.05498	22.2
81.03417	5.4
81.07066	28.2
83.04995	2.6
83.08614	6.7
85.02905	25.5
85.06530	1.7
88.83827	1.4
91.03973	14.1
91.05482	31.2
93.07050	19.4
95.04959	5.0
95.08609	16.6
97.02901	18.1
97.06535	5.7
97.10186	2.2
99.04461	1.7
103.05454	3.7
105.07050	23.8
107.04945	5.2
107.08599	9.6
109.06523	5.2
109.10172	6.6
115.05465	3.0
117.07019	19.9
119.04984	1.6
119.08592	14.6
121.06530	6.7
121.10146	6.7
123.08018	2.9
123.11694	1.6
127.03945	6.6
128.06219	6.3
129.07008	23.2
131.08582	31.4
133.06535	4.6
133.10135	8.8
135.08066	3.6
135.11714	4.5
136.52948	1.2
137.05981	2.1
137.09595	2.9
139.03894	3.7
141.07008	11.9
142.07784	3.0
143.08577	20.3
145.04976	4.6
145.06488	5.8
145.10124	13.9
147.08066	5.4
147.11714	4.9
149.09612	5.0
149.13255	1.7
151.07527	1.6
151.11189	2.4
153.01842	17.4
153.06969	2.1
155.08533	16.7
157.06480	1.6
157.10164	11.8
159.04395	1.6
159.08070	3.7
159.11700	10.2
161.09615	3.0
161.13336	1.3
163.06018	3.6
165.06976	1.3
167.08589	6.8
169.10141	12.1
171.08173	2.0
171.11728	7.7
173.09636	2.6
173.13196	1.3
175.11133	1.4
177.12737	3.6
179.08601	2.4
181.10146	7.1
183.08121	1.2
183.11705	7.8
185.09654	1.6
185.13272	4.8
187.11188	2.3
187.14844	2.7
189.12775	1.4
191.10614	1.4
193.10153	4.7
193.12239	1.7
195.11755	7.3
197.09567	2.2
197.13242	5.8
199.11180	2.0
199.14876	2.4
201.12744	2.4
203.14275	1.6
207.11700	4.3
207.13605	1.4
209.13246	4.3
211.14900	2.7
213.12807	3.5
213.16479	1.7
215.14447	2.4
217.12231	1.7
221.13342	6.2
223.14844	5.9
225.12709	1.6
227.14349	1.5
233.13336	2.2
235.14833	4.2
239.14365	3.6
243.13950	2.7
245.15343	1.9
253.15892	2.9
257.15488	2.1
271.16888	4.9
295.37088	1.3
315.21185	1.6
319.04520	2.1
323.23874	3.1
333.22232	6.5
341.24747	4.4
348.11545	1.3
351.23181	30.4
352.23590	1.8
369.24194	19.6
387.25293	12.3
425.26981	7.6
433.29758	1.7
443.27982	100.0
444.28369	4.9
461.22519	3.0
461.29044	60.5
462.29221	3.6
478.66418	1.3
569.31537	2.7
587.32520	2.0
605.32965	3.1
623.33899	2.0
632.86877	1.4
639.35339	1.7
785.44373	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	785.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
65.35936	0.1
67.30258	0.1
67.62228	0.1
68.99805	0.3
69.03436	0.6
69.17597	1.0
69.17999	0.3
79.01859	5.4
81.03429	1.1
85.21836	0.1
87.00820	0.2
97.02901	1.9
99.04448	0.2
107.01307	1.2
109.02899	1.5
111.00826	0.3
111.26675	0.1
123.00727	0.2
125.02354	2.6
127.03919	1.2
131.04910	0.2
137.02351	0.2
143.03404	5.5
144.03757	0.3
153.01843	100.0
153.02895	5.8
154.02171	1.1
159.04491	0.2
163.03841	0.2
165.01898	0.5
171.02921	1.7
171.04301	0.2
177.05415	0.2
179.03445	0.1
181.01299	0.3
183.02856	0.2
187.03822	0.2
189.05478	0.3
195.02881	0.1
205.04967	0.3
207.03012	0.2
217.05005	0.7
233.04469	0.8
237.03963	0.3
243.02853	0.3
245.04610	0.7
255.02870	0.2
261.03882	0.7
273.03839	0.5
279.04916	0.2
297.06070	3.1
301.03571	0.1
319.04517	13.2
320.04865	0.3
361.05304	0.2
431.93384	0.1
449.07269	0.2
467.08240	1.0
626.78247	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	783.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86676	0.6
55.01870	1.0
55.05506	1.8
57.03438	1.7
60.24419	0.6
61.02921	6.5
67.05507	5.7
69.03437	3.1
69.07059	2.0
71.07376	0.7
71.17985	1.2
72.51192	0.6
72.82780	0.7
73.02912	4.1
79.05499	4.8
81.03452	1.5
81.07059	5.4
85.02918	4.8
86.09715	4.1
91.03967	3.4
91.05507	3.2
93.07065	4.9
95.04943	0.7
95.08628	4.9
97.02914	3.6
99.04442	0.8
101.02368	1.6
104.10763	1.1
105.07044	1.9
107.08613	2.5
109.02873	1.2
109.10182	1.8
117.07059	0.9
119.08613	2.0
121.10151	1.6
125.00031	2.8
127.03899	1.5
131.08562	1.2
133.10130	1.1
158.13049	0.6
161.13264	0.9
184.07361	12.3
185.07741	1.1
203.05249	0.6
243.08475	1.3
382.15771	0.7
488.59314	0.7
505.27795	5.3
519.29291	7.8
683.81824	0.7
783.50177	100.0
784.50482	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	779.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.0
57.03440	2.5
57.07085	2.0
58.07418	0.5
59.05001	0.9
61.02931	5.9
67.05515	4.9
69.03445	2.8
69.07070	1.6
69.20914	3.5
71.01343	0.5
71.04976	1.0
71.08630	1.7
72.08945	0.5
73.02922	3.8
73.67498	0.3
79.05503	4.6
81.03423	3.8
81.07059	6.1
83.04972	0.4
83.08625	1.1
85.02914	5.3
85.10195	1.6
86.09714	0.6
86.10529	0.5
87.04488	0.5
89.06039	1.7
90.06381	0.5
91.03976	3.0
91.05487	3.4
93.07052	4.5
95.04960	0.9
95.08609	3.2
97.02895	4.1
97.06555	0.5
97.10159	0.4
99.04485	1.1
101.02405	2.0
105.07019	1.9
107.04999	0.4
107.08570	1.8
109.02904	0.8
109.10175	1.8
111.08140	0.4
115.03986	0.5
119.08627	1.4
121.10145	2.2
125.00034	0.4
127.03931	1.4
129.06992	0.4
131.08597	1.6
133.08641	0.7
133.10159	1.2
133.74429	0.3
134.08919	0.5
135.11737	0.7
136.42641	0.4
139.03882	0.4
147.11752	0.8
149.09622	1.1
149.13353	0.4
157.10222	0.4
177.11349	0.4
184.07349	3.1
185.04280	0.8
193.12296	0.8
199.20729	0.4
203.05365	0.6
225.15096	0.5
230.33841	0.4
243.08461	1.7
267.16269	0.5
283.15179	3.8
335.26031	1.1
339.18011	0.8
394.37912	0.3
409.19763	0.4
427.21432	0.4
501.23126	7.2
519.29309	6.4
520.29993	0.5
687.70660	0.4
779.45538	100.0
780.45673	6.4
789.94019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93118	0.6
55.01864	1.8
58.48668	0.7
62.03066	0.7
65.03922	1.7
67.05506	3.1
68.99776	2.9
70.68908	1.7
73.13827	0.6
77.03916	0.9
77.18727	0.6
79.01841	1.9
79.05477	1.9
81.03404	1.2
81.07042	1.2
85.02872	0.9
86.09644	0.6
91.05469	1.9
93.03400	1.0
93.07059	1.3
95.04970	4.0
97.02888	0.9
103.05474	3.0
105.03387	2.7
105.07034	0.9
107.04967	1.5
107.08615	0.7
109.02851	1.2
109.06512	1.7
109.10197	0.6
111.04431	1.8
112.73009	0.6
117.07011	1.8
119.04960	1.6
121.02888	1.0
121.06499	0.8
121.10162	0.7
123.04432	35.3
125.02345	1.5
125.05978	2.8
131.04951	7.2
131.08525	0.7
133.10150	0.9
134.38011	0.7
135.04433	3.9
137.05978	20.1
139.03899	9.6
143.03415	1.7
145.02843	0.7
145.06511	3.9
147.04410	7.7
149.06000	0.8
151.03908	100.0
152.04295	2.0
153.01837	30.3
153.02902	1.9
153.05434	5.0
161.05972	1.6
163.03912	99.1
163.07578	2.8
164.04196	1.7
165.05516	4.1
167.06989	1.1
173.06029	2.3
175.03929	2.1
175.07594	1.8
177.05551	0.7
177.09166	2.1
179.03467	0.9
181.04968	2.5
187.07559	2.2
189.05487	2.9
191.08600	0.9
193.04970	2.5
197.05966	0.8
205.08629	4.7
207.06490	1.1
211.07666	1.0
215.07152	1.4
217.08719	0.8
219.08128	3.3
239.07104	0.9
243.06630	2.2
247.07687	2.5
251.10693	1.5
257.08200	0.9
267.06525	2.2
279.10175	5.2
285.07590	29.8
303.08643	34.5
304.09113	1.0
305.06735	2.5
311.12845	4.4
329.13840	58.3
330.14279	1.3
332.22412	0.7
448.77649	1.0
455.09900	8.8
502.71378	0.7
783.35730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.9
56.05022	1.0
56.61039	0.6
57.03439	6.5
57.07059	1.9
58.06587	0.7
60.08169	6.6
60.17378	0.5
61.02913	1.0
63.10837	0.7
65.03918	2.1
67.05505	34.7
69.03411	1.0
69.07069	9.6
69.64390	2.4
69.64792	1.2
70.06594	3.5
71.04975	1.3
71.07364	3.5
73.02908	0.6
79.05494	26.2
81.03410	0.7
81.07059	37.1
82.14774	0.6
83.04983	1.1
83.08624	4.4
84.08134	0.7
85.02886	1.8
85.06553	1.3
86.09708	32.9
91.04913	0.6
91.05484	14.6
93.07044	29.0
95.04943	1.5
95.08611	32.1
97.06516	1.3
97.10146	2.2
98.98479	3.3
99.08099	0.8
104.10726	1.4
105.04511	1.2
105.07030	11.5
107.08600	17.3
108.08877	0.8
109.06500	0.8
109.10157	13.0
113.00016	0.7
116.06329	0.8
116.07098	5.5
117.07013	4.2
119.08585	11.1
121.10146	11.1
123.08027	0.8
123.11745	4.0
125.00003	22.4
125.09638	0.9
129.07016	1.3
131.08586	7.1
133.10130	8.6
135.07944	0.6
135.11691	8.3
137.09653	1.2
137.13249	1.3
143.08597	1.4
145.10136	7.1
147.11696	5.5
149.09608	0.8
149.13261	6.0
150.07722	0.6
151.07523	0.9
157.10095	1.5
159.11696	4.7
161.13220	3.9
161.97420	0.6
163.14818	2.4
171.11679	1.3
173.13249	4.1
175.14819	2.4
177.16478	0.8
184.07343	100.0
185.07677	0.7
185.13351	1.0
187.14798	1.9
199.14815	1.4
201.16429	1.0
227.18001	1.0
229.19545	1.1
241.19543	0.9
243.21046	1.6
245.18900	1.5
247.20543	4.6
249.22002	0.7
259.20563	1.9
261.22113	5.0
303.23401	0.9
317.24878	0.8
319.22644	1.7
321.24249	24.4
323.25824	2.5
327.07635	0.8
333.24261	1.7
335.25803	26.3
337.27350	2.1
387.28098	0.6
507.42044	1.5
581.45679	5.2
599.46741	4.6
666.52985	0.8
778.53534	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
56.05037	1.2
57.03456	0.3
57.07085	0.4
58.06622	0.7
59.07398	0.3
60.01532	0.3
60.08167	6.0
67.05502	1.6
69.07072	0.6
70.06601	3.2
71.07380	4.7
71.07766	0.5
79.05515	1.2
81.07054	1.8
86.09711	34.0
91.05469	1.2
92.05831	0.3
93.07058	1.0
95.08619	1.1
97.67130	0.2
98.98470	4.5
104.10749	2.5
105.07050	0.8
107.08600	1.1
109.10160	0.4
116.07099	5.2
119.08583	0.8
121.06541	0.3
121.10162	0.5
125.00014	23.6
128.51346	0.3
130.08655	0.4
131.08562	0.7
133.10130	0.8
135.11725	0.3
145.10130	0.7
151.07547	0.4
159.11703	0.5
167.07016	0.4
173.13290	0.3
184.07350	100.0
185.07657	0.7
213.98642	0.3
257.39188	0.3
259.20596	0.5
339.28857	0.6
340.29163	0.5
543.96533	0.3
616.49994	0.6
778.53778	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.7
57.03436	1.3
57.07079	70.8
59.05008	13.6
67.05505	7.1
68.05850	1.1
68.68032	0.7
69.03464	1.1
69.07073	2.7
71.04983	0.7
71.08636	41.9
71.13630	0.6
71.51130	0.9
73.02921	1.4
73.06564	5.4
79.05503	4.5
80.05817	0.9
81.03429	8.6
81.07061	6.1
82.03763	1.9
83.08630	1.9
83.35075	0.6
85.10186	38.1
86.09719	1.1
87.04468	17.6
87.04971	1.1
89.06037	100.0
90.06378	1.0
91.05482	4.4
91.07613	1.0
93.07054	4.9
94.07353	1.0
95.04969	2.8
95.08615	3.7
96.08978	0.7
97.10175	1.6
99.08217	0.7
99.11723	5.9
103.07597	6.6
105.07033	1.7
106.07350	0.8
107.04938	1.4
107.07112	1.0
107.08591	2.1
109.10160	0.9
110.10532	0.8
113.13320	2.4
117.07078	0.7
117.09145	5.1
119.08611	1.1
119.89912	0.7
121.10195	1.4
125.09673	0.7
127.03049	0.9
129.06985	0.7
130.08629	1.9
131.07053	5.0
131.08577	1.3
132.08902	0.8
133.08612	73.9
134.10437	0.7
135.11682	0.8
145.10181	1.8
145.45964	0.8
155.17912	3.3
157.10172	1.2
159.11717	0.9
161.11771	0.9
175.09695	3.7
177.11238	24.0
179.13011	0.7
184.07373	2.8
193.12311	1.7
213.22192	3.5
219.12331	1.7
221.13937	4.9
239.14958	1.1
257.24896	3.1
261.22156	0.8
265.16418	1.4
267.15820	4.1
268.16238	4.2
269.16617	2.3
283.17578	1.4
309.19299	1.0
312.57224	0.7
327.20319	1.3
335.25946	2.3
336.26297	3.0
337.26526	1.9
353.21457	1.0
386.75931	0.8
468.99258	0.8
527.37665	0.8
528.37701	1.7
529.38403	2.9
545.38483	0.8
547.32440	4.5
547.40375	1.4
559.79822	0.8
587.36328	0.8
776.57336	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	776.5744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
55.05515	4.2
57.03436	1.6
57.07080	68.9
59.05003	13.9
66.27700	0.6
67.05513	6.5
68.05830	1.4
69.03429	1.1
69.07063	3.3
69.69204	3.1
70.20122	0.7
71.04980	1.0
71.08635	48.1
73.02917	1.5
73.06560	4.7
78.92972	0.6
79.05491	4.4
80.05817	1.0
81.03428	8.6
81.07063	6.3
82.03757	1.6
82.05904	0.6
82.07393	1.6
83.04983	1.0
83.08627	3.0
85.10189	41.9
86.09707	1.0
87.04477	18.6
89.06036	100.0
91.05488	3.1
91.07614	0.7
92.05796	1.0
93.07049	4.2
94.07391	1.2
95.04983	2.6
95.08604	3.8
96.08937	1.5
97.10178	2.1
98.21481	0.8
99.11739	6.1
103.07602	6.8
105.07040	2.5
106.07362	1.0
107.07081	1.6
107.08599	2.0
108.08963	1.2
109.10176	1.7
113.06007	0.7
113.13284	1.5
116.65037	0.7
117.07027	0.8
117.09139	4.4
119.08575	1.6
120.08899	0.7
121.06557	0.8
121.10160	2.3
122.10454	0.9
125.00008	0.8
129.07036	0.8
130.08670	2.1
131.07071	6.1
131.08591	1.5
133.08611	75.2
134.09000	1.1
134.10513	0.7
135.11725	0.9
147.11723	1.3
149.13298	0.9
155.17955	4.9
157.08687	0.7
157.10159	1.6
160.12065	0.9
161.11714	1.5
175.09740	4.3
175.11101	1.1
177.11229	28.2
184.07381	3.2
193.12337	1.5
213.22179	4.3
216.61969	0.6
219.12358	2.0
221.13817	5.6
256.58344	0.7
257.24728	4.3
261.22171	1.1
265.16428	1.3
267.15921	4.1
268.16232	5.4
269.16553	1.4
276.14917	0.6
283.17633	1.7
327.20288	0.8
335.25687	3.0
336.26251	3.1
337.26563	2.5
353.21689	0.9
503.30618	1.3
528.37628	1.0
529.37964	3.5
539.79767	0.8
547.32495	4.4
547.40308	1.5
587.36206	1.3
720.35767	0.7
759.54456	0.7
776.57794	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	776.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.5
55.05516	43.8
57.03439	19.2
57.07065	1.9
59.04987	4.1
61.02943	6.1
61.03204	1.4
65.03938	2.7
67.05507	100.0
68.05824	1.4
69.03432	5.1
69.07070	17.9
70.22904	4.1
71.01348	1.9
71.04974	3.8
73.02946	1.9
79.05497	51.2
80.05800	1.2
81.03439	6.3
81.07058	61.3
82.07380	1.1
83.04999	4.6
83.08624	15.5
85.02904	17.3
85.06532	2.6
87.04486	5.9
91.03940	2.3
91.05485	30.7
93.07047	46.1
93.17721	1.0
95.04979	5.8
95.08614	44.1
97.02901	5.8
97.06526	4.5
97.10171	18.5
98.21293	1.6
99.04456	1.3
103.03941	1.9
105.04515	1.8
105.07034	17.4
107.04960	1.8
107.07887	1.5
107.08600	29.7
109.06535	1.7
109.10162	54.4
110.10502	1.2
111.08054	3.1
117.07021	7.2
119.08575	16.7
121.06550	2.0
121.10149	18.3
123.08087	2.5
123.11716	3.7
125.08797	1.4
125.09637	19.6
129.07002	2.7
130.07823	1.5
131.08578	14.3
133.10149	10.3
135.11694	11.0
137.09583	3.4
139.11206	1.2
143.08545	2.3
143.10640	3.1
145.10135	10.0
147.08049	1.3
147.11713	8.5
149.09631	2.8
149.13264	6.6
153.12753	1.3
155.08632	2.1
155.10651	4.2
157.10143	2.3
159.11699	5.7
161.13252	4.5
163.11166	3.5
163.14784	2.6
171.11670	2.0
173.09497	1.4
173.11739	15.2
173.13278	4.7
175.14806	2.4
177.16339	1.0
181.12115	1.0
183.11717	1.4
184.07329	3.9
187.14803	3.0
189.11232	1.7
191.10591	1.3
193.12265	1.7
199.13300	9.7
199.14880	1.6
201.16515	1.3
209.11726	2.2
211.13280	1.5
217.14360	1.8
227.12798	6.8
229.14355	49.1
243.21153	4.5
245.13831	2.3
246.82123	1.0
259.20612	1.7
261.22183	11.4
267.15793	4.8
283.15143	1.5
289.21616	1.2
301.16437	16.0
315.23325	1.2
317.24753	1.9
335.25818	72.3
336.26141	2.2
363.25281	1.5
465.20935	1.7
466.21265	3.0
477.35779	9.7
489.35818	13.0
543.36664	3.4
561.37939	6.0
678.35010	1.6
689.34485	1.5
690.35413	18.3
758.40820	1.9
776.41986	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	776.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.0
55.05513	41.7
57.03434	16.7
57.07067	3.0
58.75691	1.0
59.04992	2.7
61.02932	3.1
61.15950	1.0
65.03934	3.4
67.05507	100.0
69.03419	5.3
69.07068	18.5
71.01366	2.2
71.04980	5.5
73.02880	1.4
79.05494	51.7
81.03419	6.1
81.07058	57.8
83.04972	4.2
83.08619	18.9
85.02903	16.2
85.06553	2.4
87.04461	8.6
91.03950	1.9
91.05479	26.5
93.07045	46.4
94.07378	1.4
95.04974	6.0
95.08604	42.8
97.02889	3.6
97.06535	4.3
97.10176	20.7
98.20750	3.2
99.04459	1.2
99.08023	1.5
103.03966	1.4
103.05501	1.3
105.04481	1.5
105.07037	17.9
107.04974	1.4
107.08591	29.5
109.06501	2.9
109.10160	54.9
110.10529	1.2
111.08072	4.2
117.07037	7.7
119.08565	17.6
121.10150	21.1
123.08059	2.4
123.11710	7.0
125.09637	24.1
127.93567	1.0
129.07002	2.6
131.08594	10.3
133.10126	10.1
135.07993	2.2
135.11696	14.0
137.09624	3.7
137.13268	1.4
139.11171	2.7
143.08560	2.1
143.10684	4.5
145.10117	9.4
147.11682	7.9
149.09601	1.7
149.13217	6.2
153.12778	2.0
155.10658	5.0
157.10135	3.0
159.11691	6.9
161.13252	4.9
163.11182	4.1
163.14847	2.8
171.11768	1.9
173.11740	16.0
173.13293	4.8
175.11186	1.7
181.12192	1.8
183.11707	1.4
184.07352	1.5
185.13322	2.1
187.14798	2.9
191.10686	1.4
191.14325	1.6
193.12250	2.9
199.13268	10.5
209.11771	2.7
211.13184	2.1
227.12706	5.7
229.14348	43.6
241.14388	1.4
243.21103	4.1
245.13855	3.5
261.22144	16.9
267.15826	4.4
277.21628	1.9
289.21616	1.7
301.16504	14.9
313.55130	1.2
315.23026	1.8
317.24673	3.0
327.22864	1.5
333.24216	1.4
335.25806	85.4
336.26059	3.8
363.25400	2.8
459.34686	2.6
465.21457	1.4
477.35800	9.8
489.35657	16.9
561.37646	6.8
577.00055	1.2
579.38727	2.0
585.83209	1.4
650.92944	1.4
654.83484	1.2
689.33649	1.7
690.35223	9.7
776.41675	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	775.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.2
55.05512	33.2
57.03435	14.4
57.07071	7.1
58.27413	2.9
61.02914	10.0
61.33994	2.7
62.76080	3.0
65.03928	4.6
67.05506	74.5
67.49065	2.6
69.03441	9.4
69.07071	34.8
71.04978	4.4
71.08643	3.5
71.51478	5.8
73.02922	6.4
79.05500	48.9
81.03408	6.3
81.07059	74.0
83.08620	22.6
83.96733	2.7
85.02896	10.1
85.06527	3.8
86.09718	9.1
89.00091	3.3
91.04001	3.2
91.05479	51.4
93.07050	55.5
95.04984	7.6
95.08616	57.5
97.02908	8.4
97.06532	9.5
97.10162	9.0
104.95702	3.3
105.07043	60.8
107.08591	33.0
109.06539	11.4
109.10168	24.5
112.97916	2.9
113.00043	8.9
117.07028	15.6
119.08589	48.7
121.06519	4.2
121.10162	26.7
123.08076	8.2
123.11748	7.8
125.00037	3.9
125.68276	2.9
127.03968	3.7
129.07014	12.3
131.08571	33.2
133.06511	4.3
133.10129	32.1
135.08070	9.8
135.11667	16.7
137.09619	3.4
142.07689	3.2
143.08554	14.0
144.09448	3.3
145.10146	26.7
147.11722	24.0
149.09662	4.0
149.13283	10.1
155.08566	3.8
157.10158	13.3
159.11702	20.8
161.09700	3.9
161.13307	18.6
169.10159	6.7
171.11723	13.0
173.13283	11.9
175.14848	12.1
177.12697	4.4
179.14368	5.0
181.10226	3.4
183.11702	3.4
184.07384	24.0
185.07721	4.0
185.13272	11.5
186.07851	4.5
187.14885	5.0
197.13336	4.4
199.14838	8.1
201.16588	4.5
213.16420	4.9
215.17784	3.5
229.19708	4.0
241.19601	14.5
257.19043	6.9
259.20569	29.8
261.22070	4.1
273.18774	3.3
275.20123	11.4
291.19537	4.2
308.29559	3.3
309.29892	4.9
315.23206	2.9
331.26578	5.7
333.24240	22.2
335.25995	7.3
337.27399	41.9
339.28735	9.1
359.40317	3.0
367.22415	6.4
387.28937	6.2
481.32199	3.7
521.43665	4.9
585.44739	3.7
595.47290	8.0
603.45782	9.6
613.48279	100.0
614.48120	5.9
663.49469	11.2
682.15399	3.7
721.49457	5.2
757.52234	3.4
775.53040	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	774.5943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.5
57.03430	2.7
57.07082	100.0
59.04708	2.4
59.05005	37.5
60.72776	1.1
61.02915	1.4
62.99742	1.2
63.06527	1.1
67.05509	8.4
67.74651	1.3
69.07052	4.3
69.55948	3.4
69.56378	4.5
71.08639	71.9
73.06557	1.3
79.05489	6.6
81.03423	2.7
81.07058	8.4
83.08620	3.4
85.02885	1.6
85.10190	63.5
87.04470	5.0
89.06040	34.7
91.05486	4.6
92.05820	1.2
93.07059	8.7
95.08613	6.6
95.52943	1.2
96.08963	1.3
97.10148	3.9
99.11755	12.7
101.09637	2.0
103.07612	1.4
105.07034	5.0
106.07392	1.4
107.08575	4.4
108.08987	1.4
109.10171	3.1
112.62498	1.1
113.13277	4.1
117.07003	2.1
117.09139	18.3
119.08562	2.8
121.10128	1.9
131.08601	2.9
133.08618	19.8
133.10167	3.6
135.11676	1.5
136.92686	1.1
145.10130	3.0
147.11728	2.2
155.17944	7.2
159.11694	1.6
170.07362	1.4
177.11263	9.1
184.07381	7.0
197.13303	1.3
202.59543	1.2
213.22166	14.0
259.20486	1.8
271.26334	19.2
329.30441	1.8
335.25824	3.7
336.26181	1.8
371.22794	6.3
612.46838	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	775.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.9
57.03443	1.8
61.02927	4.0
65.03917	0.4
67.05508	5.5
69.03440	2.2
69.07072	2.8
71.04996	0.9
71.94013	0.3
73.02923	2.5
79.05499	6.9
81.03427	2.5
81.07060	6.9
83.04977	1.1
83.08620	1.4
85.02913	3.7
87.56293	0.3
91.03956	1.7
91.05486	5.9
92.39246	0.3
93.07054	5.2
94.02303	0.3
95.04949	1.8
95.08606	4.0
95.61278	0.3
97.02890	3.5
97.06522	0.7
97.10204	0.4
98.20795	0.9
99.04449	0.8
100.86221	0.4
101.02409	1.4
103.03954	0.4
105.07030	4.4
106.07320	0.4
107.05008	0.9
107.08582	2.0
108.09028	0.4
109.02914	0.6
109.06523	0.8
109.10173	1.2
111.08090	0.6
111.97487	0.3
113.41225	0.3
117.07036	1.1
119.08565	2.6
121.06504	0.4
121.10142	1.1
123.08070	0.8
125.09667	0.4
127.03936	0.9
129.07047	1.1
131.08577	1.3
133.10109	2.1
135.11737	0.7
143.08588	0.7
145.10143	1.7
147.08038	0.4
147.11699	2.3
149.09578	0.3
157.10057	0.4
161.13278	0.5
171.11729	0.9
185.04260	0.5
193.12292	0.7
207.13922	0.4
211.13289	0.7
241.06975	0.6
243.08447	2.2
247.13210	0.5
275.19833	0.4
281.17685	0.4
285.16977	0.9
333.20306	2.6
389.22955	0.4
439.19507	0.6
453.21152	0.6
465.20963	9.5
544.37244	0.5
551.28333	4.0
676.63739	0.4
695.76563	0.4
775.42395	100.0
776.42633	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.3
55.05518	23.2
57.03437	9.3
57.07082	4.4
61.02928	3.2
65.03957	5.5
67.05508	73.8
69.03416	5.0
69.07057	20.9
69.85723	10.8
71.04991	39.7
71.08614	2.8
73.02938	2.4
76.10555	2.1
79.05495	59.3
79.34069	2.1
81.03425	5.0
81.07056	100.0
82.07363	2.2
83.04974	4.8
83.08631	15.8
85.02877	5.6
85.06551	10.6
87.04461	2.1
91.04900	4.3
91.05479	72.5
93.06480	4.1
93.07047	62.2
93.07639	3.5
95.04971	8.5
95.08607	34.7
97.02872	2.5
97.06532	10.2
97.10177	6.2
97.57175	2.2
98.21536	2.6
105.04554	3.7
105.07037	65.1
107.08595	31.7
109.02863	2.1
109.06497	3.9
109.10149	14.9
110.28512	2.6
111.08068	5.3
115.05460	2.4
116.07116	3.0
117.07014	22.6
118.43958	2.4
119.08584	41.5
121.06475	3.4
121.10143	23.2
123.11698	12.7
125.09624	9.5
129.07018	9.8
131.08580	27.6
133.10135	48.8
135.11708	16.2
142.07733	2.5
143.08569	14.2
145.10112	21.1
147.11694	25.7
149.09673	4.4
149.13257	9.7
151.11192	7.9
155.08530	4.4
157.10138	8.6
159.11688	18.5
161.13229	14.2
163.11194	4.4
169.10132	6.9
171.11682	11.9
173.13286	12.1
175.11208	2.9
175.14885	4.7
176.15184	2.3
177.12778	2.7
181.10210	2.6
183.11731	3.5
184.07336	3.0
185.13263	9.7
187.13326	5.4
187.14862	4.2
195.13928	4.5
197.13269	4.5
199.14908	3.8
211.14853	4.2
224.23105	2.1
241.19518	9.7
243.16013	7.4
257.17233	4.3
259.20584	28.9
269.17459	6.9
285.17078	2.9
289.79422	2.6
299.19125	3.0
301.20117	24.2
315.23206	8.6
333.24237	25.8
335.26132	4.3
409.31116	6.5
435.32767	4.9
483.34592	8.2
501.28723	4.1
501.35788	61.0
502.36038	4.2
509.36295	4.0
527.37408	49.1
533.38202	5.8
545.38226	5.6
559.40015	22.7
560.39624	3.0
667.41919	3.2
774.40778	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	774.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.7
55.05513	21.6
57.03441	22.7
57.07084	2.9
61.18440	1.9
64.28996	1.6
65.03938	2.6
67.05508	68.5
69.03432	5.5
69.07073	15.9
71.00877	3.4
71.04977	4.3
76.42513	1.7
79.05498	50.4
81.03420	87.9
81.06587	4.2
81.07060	65.9
81.70955	1.8
83.04979	4.7
83.08139	2.7
83.08619	24.3
85.06544	3.1
91.05489	40.8
93.06478	3.8
93.07047	52.0
93.97958	1.8
95.04964	29.9
95.08612	43.9
97.02908	4.2
97.06514	5.0
97.10152	8.1
105.07036	31.8
107.04957	5.6
107.08600	32.8
109.06506	5.7
109.10156	24.8
111.08082	6.8
115.05475	3.1
117.07013	9.7
119.08581	26.9
121.06474	2.8
121.10141	23.2
123.04505	2.7
123.08051	3.5
123.11691	7.3
125.09619	3.0
129.07059	13.8
131.07690	3.3
131.08580	21.4
133.06506	2.8
133.10165	13.2
135.08073	2.6
135.11700	13.1
137.09621	3.0
137.13293	2.9
142.07800	3.6
143.08588	3.0
145.10114	9.0
147.08076	4.9
147.11700	13.3
149.09636	7.1
149.13277	6.2
157.10168	12.3
159.11696	8.9
161.13280	7.0
163.11209	3.5
163.14943	4.4
165.12796	3.7
173.13266	7.2
175.11235	8.0
187.13289	2.5
187.14854	3.0
188.00397	1.9
189.11215	2.9
193.12267	25.0
199.14888	2.1
209.66632	1.7
211.13354	2.9
227.12808	7.7
240.40497	2.1
243.21115	9.4
261.22180	22.3
267.15924	100.0
301.25308	8.1
303.23306	2.4
307.27066	1.8
309.17026	2.8
312.22757	1.8
317.24835	3.0
322.99799	2.0
333.44522	1.7
335.25803	97.5
336.26312	4.0
383.58081	1.9
417.31815	3.1
435.32724	7.3
453.33707	7.4
471.34616	5.1
527.37360	58.7
528.37360	5.8
545.38348	44.4
546.38678	2.8
569.38141	4.9
577.40094	2.7
742.97168	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.0
55.05513	28.5
57.03443	13.5
61.02921	4.4
65.03930	3.8
67.05506	60.1
69.03427	7.4
69.07067	25.0
71.04996	6.7
71.50415	3.6
73.59523	2.0
79.05066	4.3
79.05499	53.8
81.03419	21.9
81.07060	100.0
83.04982	16.9
83.08615	19.1
85.02905	8.7
85.06542	5.2
91.05476	56.9
93.07048	48.4
95.04984	19.1
95.08608	31.7
97.02902	5.1
97.06545	12.1
97.10182	5.6
99.04479	2.7
99.08104	6.9
105.07037	57.9
107.04951	9.8
107.08593	36.8
109.06542	14.4
109.10163	15.0
111.04435	5.3
111.08069	7.2
117.07014	12.2
119.04984	2.2
119.08592	39.7
119.26434	2.3
121.06509	8.7
121.10159	24.3
123.08078	8.4
123.11710	16.1
125.09666	5.9
129.06993	8.0
131.08582	20.6
133.06499	2.3
133.10135	25.5
135.08037	5.6
135.11708	13.8
137.09692	2.4
143.08528	4.3
145.10150	15.0
147.08003	2.9
147.11694	47.9
149.09631	10.7
149.13280	7.1
151.11172	4.0
157.10159	11.1
159.11722	10.9
161.13321	5.7
163.11159	11.7
165.12747	16.5
169.10159	2.4
171.11656	3.9
173.13194	5.4
175.11166	7.5
177.12770	3.9
181.12183	2.8
183.13983	3.0
184.07312	4.3
185.13161	2.9
193.12282	10.2
195.13763	4.3
209.11665	4.2
211.13278	8.0
227.12726	8.9
229.14406	5.6
233.32095	2.2
236.37881	2.2
239.17995	3.6
241.19614	2.7
255.15872	6.6
257.19012	6.1
259.20596	4.1
267.15915	48.6
269.17346	12.7
269.68503	2.1
275.20081	33.3
277.21802	2.7
283.15381	4.9
285.16965	48.0
286.17294	2.7
291.19653	3.0
301.16318	3.3
333.24182	6.0
339.28333	2.4
349.23749	20.7
367.24750	8.7
465.28256	9.9
470.77298	2.6
479.30121	36.6
541.35205	17.5
559.36279	49.2
577.36963	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	773.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.0
55.05511	31.8
57.03445	13.9
57.07075	3.8
61.02934	13.9
65.03938	7.0
67.05509	94.0
69.03418	12.1
69.07074	25.5
69.47360	10.8
69.47787	10.0
71.04993	5.5
73.02915	11.7
79.05067	5.1
79.05500	69.7
81.03402	6.7
81.07063	88.9
81.38840	3.3
83.04967	3.4
83.08601	12.9
85.02908	16.6
85.06541	5.2
91.03965	5.0
91.05485	71.2
93.07048	90.3
95.04970	9.9
95.07989	3.4
95.08611	69.9
97.02888	11.0
97.06544	4.4
97.10179	6.2
105.04565	3.1
105.07037	63.7
107.08606	45.6
109.06501	4.2
109.10165	26.2
115.05424	3.4
116.06225	2.7
117.07038	25.3
119.08590	56.2
121.10149	36.6
123.11702	8.0
129.06999	20.6
131.08594	44.0
133.10136	46.3
135.08058	3.4
135.11707	25.2
137.09615	3.9
141.07001	3.0
142.07761	6.5
143.08556	19.8
144.09309	4.7
145.10121	30.2
147.11687	35.7
149.13243	17.0
155.08536	6.6
157.10143	16.9
159.11688	20.8
161.13266	23.6
161.72432	2.5
163.14824	5.2
165.58147	2.6
169.10144	9.2
171.11720	22.6
173.13280	21.6
175.14809	14.1
181.10104	3.6
183.11702	11.4
185.13292	17.0
187.14758	6.0
195.11702	6.2
197.13281	8.0
199.14880	8.5
201.16331	4.5
209.13405	6.4
211.14853	4.5
213.16429	5.7
215.18013	4.6
223.14786	4.0
225.16370	2.7
227.17775	4.4
231.21089	4.6
239.18044	5.0
241.19511	29.5
243.21072	4.6
257.19052	9.3
259.20605	43.0
261.22186	7.3
262.46674	2.5
275.19998	3.2
301.21545	5.8
315.23068	5.5
331.22583	3.4
333.24277	33.5
335.22031	5.0
335.25842	70.9
337.27524	4.1
367.23001	3.5
403.24908	3.3
519.41748	7.2
537.42810	4.0
566.71576	2.9
593.45551	8.2
609.45203	4.8
611.46674	100.0
612.46771	4.4
701.47565	4.7
737.49554	3.3
755.49652	4.5
773.51349	12.1
794.08539	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	773.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.0
55.05512	33.8
57.03444	14.6
57.07064	10.2
61.02931	15.1
61.72934	2.9
64.35183	3.7
65.03927	5.9
67.05511	100.0
68.87613	2.9
69.03418	12.6
69.07079	30.3
71.01093	5.1
71.04990	7.0
73.02889	7.0
79.05495	76.5
81.03407	11.1
81.06593	4.8
81.07059	95.8
82.07402	3.2
83.04986	5.6
83.08620	13.6
85.02911	14.8
85.47061	2.5
91.03949	7.1
91.05485	79.7
93.06488	4.3
93.07050	82.8
95.04985	9.9
95.08615	68.9
97.02886	17.1
97.06534	6.7
97.10155	10.0
101.02391	2.7
105.04510	4.0
105.06397	5.2
105.07042	60.8
105.54230	2.7
107.04962	3.9
107.08598	52.8
109.02843	3.0
109.06528	5.9
109.10157	29.7
109.10860	3.9
115.05447	4.8
117.07049	24.7
119.07806	5.0
119.08588	58.0
121.10153	40.7
121.59719	2.8
123.08109	5.5
123.11687	9.9
127.03858	6.5
128.06247	3.8
129.06998	16.8
130.07768	3.1
131.08578	40.5
132.08925	3.3
133.10143	36.8
135.08055	3.8
135.11723	22.4
141.06990	3.4
142.07813	5.5
143.08594	17.9
145.06503	3.2
145.10135	35.0
146.10649	3.3
147.08015	2.8
147.11687	37.6
149.09587	5.8
149.13255	15.4
155.08546	5.5
157.10136	21.6
159.08170	3.7
159.11736	29.9
161.09584	3.6
161.13260	29.4
161.82216	3.0
163.14793	9.4
163.65602	3.5
167.08563	3.5
169.10139	11.7
171.11693	21.3
173.09547	2.9
173.13268	23.2
175.11208	3.7
175.14783	16.5
181.10097	7.8
183.11702	10.1
185.09726	2.8
185.13312	16.5
187.14793	12.2
195.11612	3.7
197.13220	6.4
199.14813	10.8
211.14664	4.2
213.16415	6.8
215.18076	3.7
217.70125	2.9
231.21155	3.2
239.17921	3.9
241.19582	23.2
243.21094	4.8
257.18973	7.6
259.20612	37.1
261.22110	10.6
273.22012	3.6
275.20102	8.6
285.22269	3.7
315.23141	5.0
333.24329	25.7
335.25827	88.0
336.26569	3.5
367.22690	6.3
385.23904	3.4
399.55222	3.4
519.42249	4.5
537.42871	3.3
593.45300	11.9
609.45374	5.8
611.46735	95.6
612.46997	7.5
623.45721	5.4
635.46472	3.8
701.47516	7.5
719.48584	4.6
737.49530	6.4
755.50763	6.3
773.51013	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.7
55.05516	35.2
57.03434	14.8
57.07078	9.0
61.02930	6.6
65.03939	5.5
66.51833	3.6
67.05508	100.0
68.54266	3.0
69.03421	13.3
69.07075	32.0
71.05000	5.5
71.08627	5.5
71.51088	2.7
71.51575	4.4
73.02905	3.1
79.05067	5.9
79.05495	73.0
79.05917	6.7
80.35065	3.0
81.03439	15.4
81.07063	92.2
83.04998	9.5
83.08617	18.3
84.86544	3.5
85.02903	8.9
85.06539	5.4
86.09731	3.2
91.03967	3.5
91.05483	74.4
93.07050	85.5
95.04952	16.6
95.08612	68.5
97.02905	13.2
97.06547	7.8
97.10188	9.6
99.04436	5.1
103.05475	4.3
103.32615	3.4
105.07034	60.6
107.04946	3.7
107.08602	49.9
109.02870	6.1
109.06516	8.2
109.10166	23.2
111.04475	4.2
111.08080	4.7
113.09695	4.6
115.05505	4.5
117.07018	30.1
119.08592	54.8
121.10157	46.1
123.08064	5.1
123.11730	12.6
125.09630	3.5
127.03941	3.9
128.06219	8.8
129.05482	4.0
129.06993	17.3
130.07832	3.9
130.89677	3.3
131.08578	50.1
133.10143	40.8
135.08046	4.6
135.11696	21.5
137.09554	3.5
140.14919	3.0
141.07018	7.8
142.07805	4.4
143.08621	22.6
145.06586	3.8
145.10130	31.6
147.11699	28.6
149.09639	3.8
149.13246	14.7
155.08563	11.2
157.10114	21.7
159.08011	4.4
159.11700	39.3
161.13252	17.2
163.11192	3.9
163.14861	5.8
167.08566	5.6
169.10132	12.6
171.11728	17.8
173.13251	19.0
175.14896	7.9
181.10179	6.5
183.11723	14.1
184.07317	7.1
185.13193	16.9
187.11115	3.8
187.14883	6.7
189.12738	6.2
191.14304	4.0
193.10060	4.7
195.11806	6.5
197.13292	9.7
199.14798	9.3
209.13240	5.9
211.14748	4.1
213.12756	3.8
213.16238	6.5
239.17924	6.2
241.19542	14.0
257.19055	10.1
259.20590	29.0
260.21347	3.4
261.22037	9.8
271.20630	5.3
275.20160	13.3
277.21707	8.0
325.21399	3.8
333.24237	9.6
335.25992	16.8
337.27264	17.7
349.23776	6.9
351.25372	27.2
367.22537	5.2
385.23547	3.4
387.24966	4.7
441.26508	10.7
609.44312	4.1
611.46771	44.4
719.48859	5.9
737.50000	7.7
755.50397	9.0
773.52209	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	772.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
56.05035	0.7
56.86212	0.2
57.07065	0.5
58.06608	0.5
60.08167	6.6
64.86331	0.2
67.05502	1.2
69.03436	0.2
69.07070	0.8
71.07375	3.8
71.08627	0.3
72.40349	0.2
73.48739	0.2
75.32455	0.2
79.05489	0.8
81.07053	1.1
83.08612	0.4
85.10181	0.3
86.09708	30.8
91.05492	0.6
93.07043	1.0
95.08617	0.7
98.06072	0.4
98.20732	0.5
98.98464	3.5
104.10743	2.2
105.07053	0.7
107.08620	0.6
109.10192	0.3
119.08581	0.3
125.00010	21.8
145.10146	0.3
155.79602	0.2
177.97896	0.3
184.07346	100.0
185.07674	1.0
200.95181	0.2
229.11249	0.2
259.28928	0.2
275.20026	0.3
308.29504	5.7
309.29849	0.4
336.25403	0.2
339.28986	0.4
754.53961	3.2
755.53711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.1
57.07082	1.5
58.19842	1.3
58.57963	1.3
61.02929	6.3
67.05521	6.9
69.03428	2.8
69.07065	4.0
69.37437	10.9
72.08160	1.8
73.02933	3.7
76.24918	1.6
79.05508	3.3
80.40807	1.2
81.03442	2.4
81.07050	6.7
83.08608	1.7
85.02892	7.1
86.09713	1.8
91.03972	4.3
91.05491	2.9
93.07053	4.0
95.08631	4.3
97.02914	5.7
101.02410	3.0
105.07046	1.8
107.08598	1.8
109.10213	3.0
110.89963	1.2
119.08562	1.5
120.17797	1.4
121.10152	3.0
121.34875	1.2
133.10159	1.7
143.66695	1.3
170.01233	1.2
184.07422	3.7
186.63844	1.6
207.61665	1.4
210.12401	1.5
232.06606	1.3
286.91156	1.4
316.39731	1.4
420.08875	1.3
461.58093	1.4
495.29401	4.8
519.29321	8.5
773.51758	100.0
774.52386	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	772.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	10.0
55.05510	37.5
57.03440	25.0
59.05005	28.7
61.25621	2.4
65.03936	2.9
67.05509	90.8
69.03426	9.4
69.07057	11.7
70.90916	2.8
70.91261	6.9
71.05003	14.9
71.30775	2.7
72.08131	2.9
79.05078	3.2
79.05497	50.1
81.03421	100.0
81.07065	51.8
83.04980	18.8
83.08245	2.6
83.08628	35.8
85.02892	8.6
85.06517	8.0
87.04479	28.4
91.05487	55.8
93.06507	3.0
93.07050	40.1
95.04972	41.0
95.08156	2.4
95.08624	23.0
97.02900	6.8
97.06531	9.5
97.10178	21.6
99.04459	8.2
102.03362	3.5
105.07027	34.4
107.04940	21.6
107.08605	27.2
109.02875	3.3
109.06510	9.6
109.09480	3.6
109.10168	54.4
111.04430	10.6
111.08132	13.4
115.05422	4.8
116.24863	2.6
117.07001	11.1
119.04960	3.2
119.08575	26.3
121.02824	6.4
121.06501	15.0
121.10159	22.8
123.04433	9.2
123.08092	8.0
125.09627	13.7
129.07022	19.0
130.32790	3.4
131.08542	27.5
133.06458	6.1
133.10143	19.7
135.04408	6.6
135.08046	7.6
135.11736	7.2
135.51289	2.7
137.06018	4.8
137.09586	6.0
142.07750	3.6
145.06499	3.6
145.10139	10.8
147.04417	6.9
147.08087	8.7
147.11697	15.9
149.09633	23.7
151.07625	2.7
153.01814	7.6
153.09102	3.2
153.12740	7.3
155.08505	4.4
155.10603	3.2
157.10191	18.8
159.08043	4.4
161.05946	4.7
161.09572	3.3
163.11195	12.9
165.09023	3.8
167.10657	3.6
173.09598	4.5
173.11728	9.6
175.11174	17.5
181.12221	9.0
185.09750	2.9
185.13206	3.7
187.11169	4.1
189.11246	10.9
191.10670	9.3
193.12267	53.0
197.15265	3.5
199.13332	6.1
209.11726	11.7
211.13300	37.0
217.12305	2.9
223.13185	4.2
225.14851	10.0
227.12778	23.1
229.14311	37.9
231.13806	6.1
237.97264	2.8
247.13295	6.9
249.14920	15.8
267.15942	59.6
270.73468	3.0
283.15356	12.8
309.17059	3.8
355.22574	7.9
365.21118	10.8
371.45538	3.3
373.23792	5.3
383.22263	24.9
401.23456	14.6
409.25772	3.3
415.24893	4.7
421.25897	24.7
433.25870	7.4
447.27029	4.2
457.26062	4.7
468.08020	2.8
475.26834	20.3
493.27631	7.0
507.29553	14.8
525.30359	9.2
574.75537	3.5
657.54236	3.0
694.52722	3.1
792.48419	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	772.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	11.3
55.05511	41.0
57.03435	21.8
57.07070	3.8
59.05011	28.7
65.03965	6.0
67.05508	92.0
69.03434	14.2
69.07079	19.8
70.06583	3.8
71.04985	21.7
71.51884	4.8
74.01962	3.6
79.05496	59.2
81.03427	100.0
81.07059	50.5
83.04981	20.0
83.08620	27.7
85.02916	13.1
85.06554	7.0
87.04463	32.1
91.05485	54.3
93.07046	42.0
95.04984	40.5
95.08610	28.8
97.02907	13.7
97.06550	9.4
97.10189	19.3
99.04465	13.6
105.07028	32.5
107.04953	22.5
107.08619	28.7
109.02869	3.6
109.06529	8.5
109.10166	54.0
111.04478	17.9
111.08075	13.2
117.07052	11.6
119.04977	4.3
119.08582	33.8
121.02836	4.3
121.06512	14.7
121.10146	24.6
123.04463	6.9
123.08109	11.9
123.11777	4.5
125.09635	21.4
129.07030	16.6
131.08580	22.9
133.06537	10.1
133.10123	17.0
135.04367	7.1
135.08086	6.1
135.11728	8.8
137.05981	9.6
137.09662	5.1
139.03938	4.5
139.11157	4.5
143.08595	4.7
145.06499	5.3
145.10144	12.1
147.04416	6.0
147.08037	6.8
147.11743	18.9
149.09622	29.3
153.01868	13.5
153.09042	5.4
153.12798	10.0
155.08528	4.5
157.10112	21.5
161.05983	6.4
161.13220	4.7
163.11191	22.2
167.10724	5.3
173.09686	6.4
173.11749	12.6
175.11183	26.1
181.12234	10.8
185.13232	5.0
187.11235	4.8
189.11229	11.6
191.10741	6.3
193.12268	58.8
199.13297	9.8
209.11743	19.4
211.13298	46.7
223.13306	7.7
225.14943	13.5
227.12794	17.1
229.12326	6.2
229.14384	34.5
235.13341	5.1
247.13272	10.0
249.14958	13.3
263.16483	4.4
267.15967	69.8
283.15424	12.7
315.17920	5.2
337.21875	6.5
355.22705	10.6
365.21164	7.9
373.23743	6.3
383.22028	30.4
401.23062	21.3
415.24805	5.7
421.25970	20.5
422.59918	4.6
433.26144	4.9
457.25684	5.6
475.26788	17.2
487.36594	4.5
493.27838	5.3
507.29468	16.0
525.22736	3.8
525.30463	8.7
610.36237	4.9
772.42694	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	771.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
55.05274	0.7
55.05519	11.2
57.03445	4.6
57.07072	2.3
59.05004	0.7
61.02930	16.8
65.03941	1.4
67.05508	21.1
69.03436	8.2
69.07072	10.6
71.01364	1.0
71.04999	2.4
73.02923	8.3
79.05502	17.4
80.69588	0.6
81.03412	4.3
81.07066	18.1
83.01353	0.8
83.04986	1.8
83.08628	4.5
85.02423	1.2
85.02912	12.8
85.03426	0.8
85.06561	1.2
91.03954	8.0
91.05487	14.5
91.51199	0.5
93.07053	16.7
95.04971	2.0
95.08614	15.5
97.02896	12.0
97.06548	2.2
97.10179	2.1
98.21526	1.4
99.04449	1.3
99.08115	0.7
101.02393	1.8
103.05488	0.7
105.07042	13.3
107.04975	1.1
107.08607	9.3
109.02898	1.5
109.06532	0.6
109.10159	6.3
111.08099	1.5
115.05471	1.5
117.07030	9.7
119.08602	11.7
121.10151	5.3
121.43817	0.7
123.08068	0.7
123.11742	1.8
125.09638	0.7
127.03931	2.3
128.06239	3.3
129.07016	7.8
130.07793	0.8
131.08589	12.3
133.10156	9.0
135.11713	3.4
137.13258	0.7
141.06993	5.5
142.07808	3.2
143.08583	12.7
145.05006	0.7
145.10124	12.5
147.11691	5.4
149.13300	1.1
153.07019	1.3
154.07780	2.1
154.12396	0.5
155.08563	10.1
156.09422	1.4
157.10141	13.6
158.10959	0.7
159.08017	0.7
159.11711	9.0
161.09529	0.8
161.13292	3.0
165.07071	2.1
166.07826	1.4
167.08542	6.0
168.09412	2.0
169.10115	12.8
170.10863	1.2
171.11688	10.0
173.13237	4.8
175.14891	2.9
179.08636	2.2
180.09201	0.7
181.10152	6.4
182.10901	1.4
183.11699	12.1
184.12283	0.9
185.13272	7.2
187.14880	3.5
189.16319	1.5
193.10170	2.8
194.10898	1.3
195.11729	7.2
196.12392	0.6
197.13284	8.3
199.13185	1.0
199.14841	6.3
201.16475	1.3
205.10210	0.8
207.11691	3.1
209.13278	7.0
210.13921	1.1
211.14799	5.3
213.16425	3.2
219.11693	1.3
221.13322	2.7
223.14822	3.9
224.15611	0.8
225.16418	4.4
227.18008	2.2
233.13338	1.0
235.14873	2.4
237.16432	2.0
239.17998	0.9
241.19722	1.7
245.13310	1.1
247.14864	0.8
249.16444	1.4
251.18019	1.8
253.19830	1.2
263.18015	1.2
265.19519	1.1
271.20474	1.0
275.20282	0.7
277.19522	0.9
279.21185	0.9
281.19061	0.7
283.24173	0.7
285.22247	0.6
295.20709	0.9
295.24301	0.7
297.22131	1.3
323.20187	0.8
323.23709	0.9
325.25195	1.0
327.23514	0.9
337.25455	0.8
339.26794	0.8
349.25266	0.8
351.26941	1.5
365.24637	0.9
365.28629	1.0
379.30206	1.1
393.32111	0.8
407.29282	0.7
447.32532	1.2
449.34662	1.1
465.33542	0.7
473.33075	0.7
475.35425	0.7
486.75897	0.8
501.35873	0.8
515.37885	0.9
517.40546	6.2
520.12415	0.8
525.36060	1.2
535.41766	3.2
539.37244	1.6
540.38733	0.8
541.39185	0.8
553.39844	1.0
573.43317	1.1
589.43536	0.8
591.44122	5.3
607.43250	1.9
608.43066	0.8
609.45172	100.0
610.45441	9.4
611.47205	0.8
621.44531	1.1
633.44952	1.1
643.44812	0.6
651.45685	0.8
661.44720	0.7
675.45459	0.9
717.47290	1.4
753.49164	1.8
771.50439	19.0
772.51031	2.0
800.46649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01796	2.0
55.05436	10.5
55.05733	1.9
57.03360	4.3
57.03668	1.1
57.07019	1.2
57.80756	0.5
61.02845	12.6
61.03179	1.7
65.03874	1.3
67.05418	21.2
67.05815	2.4
69.03341	8.2
69.06981	9.6
71.01276	2.0
71.04903	2.3
72.00255	0.6
73.02829	8.5
73.03263	0.8
78.25340	0.5
79.05400	16.1
81.03326	4.9
81.06964	21.8
81.07494	1.7
82.07302	0.5
83.04891	1.5
83.08521	4.9
83.09061	1.0
85.02808	13.3
85.06452	1.4
87.04384	0.8
91.03953	6.1
91.05482	16.2
93.07043	16.8
93.07560	1.0
95.04865	2.2
95.08611	21.2
96.08867	0.6
96.65588	0.6
97.02895	11.0
97.06431	1.8
97.10161	2.7
98.21506	1.8
99.04395	1.3
99.08032	1.2
99.65024	0.5
101.02385	2.7
103.05412	0.9
105.07033	13.7
107.04842	1.8
107.08598	11.3
109.02789	0.9
109.06442	1.5
109.10165	7.4
111.04357	1.0
111.08019	1.2
115.03863	0.8
115.05334	1.9
116.06200	0.6
117.07013	9.3
119.08590	14.7
119.09366	0.7
120.08871	0.8
121.10153	7.5
123.07968	1.4
123.11602	1.7
125.09525	0.9
127.03912	2.9
128.06230	3.4
129.07007	10.0
130.07683	0.9
131.08572	13.0
133.10143	11.5
135.07954	1.5
135.11685	5.6
137.09525	1.0
137.13162	0.7
139.11113	0.7
141.06990	5.8
142.07790	2.8
143.08571	11.9
145.04878	1.1
145.10133	14.0
147.11687	5.8
149.09525	1.1
149.13138	2.1
151.11133	0.8
153.06906	1.3
154.07661	2.3
155.08549	12.4
156.09207	2.3
157.06380	0.7
157.10133	10.9
158.10672	0.6
159.11696	8.9
161.09543	0.9
161.13290	3.1
163.11086	0.7
163.14677	1.0
165.06898	1.6
166.07657	1.4
167.08545	6.1
168.09221	2.0
169.10121	12.3
170.10818	1.1
171.11697	11.9
173.09424	0.7
173.13277	5.4
175.14735	2.3
177.12593	0.6
179.08583	2.5
181.10133	7.9
182.10689	1.3
183.10071	0.7
183.11699	13.4
184.12230	1.1
185.13246	7.4
187.14793	3.7
189.16280	1.1
191.08426	0.8
193.10146	3.4
194.10808	1.3
195.10240	0.7
195.11705	8.4
196.12279	1.1
197.13272	9.2
199.14821	4.5
201.12627	0.7
201.16266	1.7
205.10023	0.9
207.11678	3.6
209.11545	0.5
209.13293	6.9
211.11095	0.6
211.13138	0.5
211.14810	6.5
213.16347	2.9
215.17792	1.0
217.10088	0.7
219.11626	1.6
220.12317	0.7
221.13223	2.5
223.14835	4.4
225.16374	4.5
227.17828	2.3
229.19485	0.6
229.34370	0.6
231.11681	0.6
233.13245	1.3
235.14801	2.9
237.16420	3.2
239.18005	2.9
241.19453	1.6
247.14668	0.8
249.16267	2.2
251.18015	2.5
253.19624	1.1
261.16211	1.1
263.17896	1.3
267.21136	1.3
269.19049	0.6
277.19412	0.9
281.18927	0.9
283.20288	0.7
288.18625	0.5
291.20935	0.9
295.20514	0.7
305.22437	0.6
309.22031	1.3
311.23645	1.2
317.22464	0.7
323.23511	0.8
325.25128	0.8
327.22919	0.6
333.25467	0.5
335.23355	0.8
337.25189	1.5
341.24667	0.8
349.25174	0.8
351.26694	1.6
353.24463	0.7
365.24396	0.8
365.28384	1.4
375.26727	0.6
377.28372	0.9
379.30060	1.1
407.29218	0.6
411.28928	0.6
425.03915	0.6
433.30484	0.9
435.32455	0.8
447.32672	1.0
449.34482	0.8
461.34018	1.1
475.34286	1.3
499.39935	0.9
501.35999	1.3
513.35754	0.9
515.37408	0.8
517.40442	7.6
521.36670	0.7
525.35565	0.6
527.37402	0.9
529.39972	0.7
535.41656	3.1
539.37439	2.2
541.38934	1.6
553.39459	0.9
563.41022	0.7
573.43384	1.1
589.42297	0.6
591.44080	6.8
607.43469	2.5
609.45135	100.0
610.45447	5.6
621.45264	2.6
634.46643	0.8
651.45795	1.2
717.47217	1.7
735.48376	1.5
753.49689	2.3
771.50385	20.6
772.50812	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	12.2
55.05511	24.4
57.03443	11.6
61.02924	2.5
65.03941	3.6
67.05509	64.1
69.03426	7.4
69.07069	22.0
69.21551	10.1
69.21969	5.0
71.04990	7.3
74.57663	1.6
77.03932	2.3
79.05498	81.3
81.03076	1.4
81.03426	17.4
81.07063	75.4
83.04977	18.5
83.08620	16.2
85.02882	3.9
85.06538	4.2
86.24504	1.7
91.05488	72.4
92.72791	1.8
93.07050	78.8
95.04974	20.5
95.08613	36.0
97.02888	4.0
97.06533	20.6
97.10171	9.9
98.21626	2.5
99.08109	3.0
101.28912	1.6
103.05428	2.1
105.04501	3.6
105.07037	55.1
107.04959	14.2
107.08595	33.3
109.02906	2.7
109.06552	10.1
109.10149	12.8
111.04456	1.8
111.08086	3.8
115.05427	3.4
117.07027	17.0
119.08587	32.8
121.06520	5.8
121.10143	14.0
123.08064	6.7
123.11750	3.0
124.42325	1.6
125.09606	4.8
127.03910	3.6
128.06227	2.8
129.07008	19.4
131.08583	13.7
133.06424	2.9
133.10141	22.3
135.08087	3.5
135.11697	12.9
143.08580	10.5
145.10126	19.9
147.08041	2.9
147.11703	37.4
149.09610	11.5
149.13252	7.0
151.11192	2.3
151.62367	1.5
153.01794	3.7
157.10106	3.6
159.11674	11.6
161.09656	6.0
161.13245	11.2
163.11192	11.9
169.10139	2.0
171.11694	22.8
173.04472	3.1
173.13272	5.2
174.94395	1.5
175.14844	1.9
177.12744	3.3
179.14340	2.6
181.12177	1.8
183.11659	1.9
189.12759	12.4
195.13789	3.8
205.12277	1.9
207.11874	2.5
207.13805	22.4
225.14825	2.7
227.12720	11.4
239.17894	3.5
247.20683	3.1
253.14456	3.9
255.15950	6.8
257.19009	10.4
267.15930	2.2
269.17419	11.8
275.20093	29.9
281.17487	100.0
282.17853	2.8
283.15298	1.9
291.19434	2.2
293.21158	2.3
349.23886	15.9
377.22809	2.2
435.27383	2.5
451.26807	5.7
461.28989	21.6
475.30609	78.4
476.30643	4.2
524.18060	1.7
555.36853	38.8
556.37097	2.6
573.36871	4.7
619.34467	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	770.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.4
55.05520	28.5
57.03433	10.4
61.02904	3.0
65.03935	9.2
67.05507	78.7
69.03418	7.6
69.07072	28.1
69.38750	19.7
71.04977	5.5
79.05495	96.7
81.03416	16.8
81.06590	5.7
81.07056	87.4
83.04985	17.5
83.08624	14.9
85.02907	6.7
85.06528	4.8
91.05485	90.5
92.05811	3.5
93.07047	100.0
94.07355	3.0
95.04984	19.8
95.08060	4.1
95.08614	44.6
97.02902	5.0
97.06554	18.9
97.10191	4.9
99.04463	2.8
99.08105	3.5
105.04510	6.4
105.07030	78.6
106.42074	2.6
107.04940	8.1
107.08599	34.9
109.06512	10.2
109.10167	13.8
111.08067	8.3
115.05437	4.0
115.39744	2.5
117.07022	26.2
119.04971	2.8
119.08584	51.5
121.06506	5.2
121.10139	21.3
123.08102	9.7
127.03891	2.9
128.06230	4.3
129.05504	3.1
129.07011	20.6
131.08588	29.2
133.06479	2.8
133.10150	34.3
135.11691	14.8
141.07011	3.9
143.08597	14.3
144.36731	2.9
145.10115	27.3
147.08147	3.7
147.11691	48.4
149.09633	6.8
149.13260	12.2
155.08533	3.7
157.10178	4.5
159.11670	18.9
161.09612	4.1
161.13248	25.5
163.11180	7.7
167.08568	3.3
171.11682	32.5
173.13258	8.6
175.14885	5.5
177.12729	6.4
179.14275	2.6
183.11688	4.7
185.13335	3.7
187.14807	3.8
189.12738	10.4
195.13855	6.4
197.13339	2.9
199.14801	6.2
205.12054	2.6
207.13805	20.3
213.16443	2.9
225.14691	3.8
241.19547	5.8
257.19092	7.7
259.20566	19.4
269.17441	9.8
275.19934	19.0
279.15829	7.3
281.17484	66.0
293.20950	4.2
333.24359	12.8
349.23810	6.9
465.33746	4.3
475.25082	3.4
475.30707	32.8
539.37531	26.9
555.36670	3.0
557.38031	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	770.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	13.8
55.05508	43.1
57.03438	25.0
61.02940	19.1
65.03939	7.8
65.28488	3.0
67.05139	5.4
67.05506	97.7
69.03439	12.6
69.07065	33.3
69.21443	6.2
69.21777	35.7
71.05000	7.3
72.08116	4.0
72.47931	3.9
73.02910	5.9
77.50725	3.1
79.05495	95.2
81.03423	25.1
81.07056	96.0
81.09641	3.9
82.06579	4.4
82.07407	5.7
82.08035	3.6
83.04986	22.9
83.08630	21.8
83.09052	4.0
83.44373	3.3
85.02929	18.2
85.06545	6.5
91.03958	7.3
91.05488	100.0
91.70726	3.2
92.05807	6.4
93.07047	98.4
94.07348	5.0
95.04988	29.9
95.08611	57.6
97.02902	14.1
97.06531	14.4
97.10170	11.2
99.08092	5.5
103.05499	3.2
105.07037	73.8
106.07335	5.4
107.04974	11.0
107.08601	41.3
109.02902	5.8
109.06535	10.8
109.10171	19.6
111.08134	4.6
113.05976	4.0
115.05533	3.7
117.07040	36.6
119.08584	60.7
120.08871	4.8
121.06571	7.5
121.10139	18.9
122.10412	3.2
123.08070	13.6
125.09638	9.4
127.03932	8.9
128.06223	7.3
129.07030	28.0
131.08586	41.8
133.10143	30.6
135.08003	5.1
135.11722	13.1
137.09619	8.4
141.07004	4.9
143.08557	22.7
145.10129	36.9
146.08176	8.6
147.07938	3.6
147.11681	38.9
149.09639	12.4
149.13274	8.3
153.01878	20.8
155.08524	9.7
156.09128	3.3
157.10146	16.2
159.11671	24.1
161.09624	6.2
161.13239	17.3
163.11203	11.5
167.08551	5.3
169.10115	19.3
170.10622	4.6
171.11673	27.3
173.13258	11.1
176.98019	3.4
177.12831	4.5
179.14360	3.8
181.10074	7.0
182.10507	3.7
183.11737	16.5
184.12045	4.6
185.13310	12.0
189.12784	12.2
195.11716	10.1
197.13255	10.3
199.14784	4.9
201.12569	5.1
207.11859	6.7
207.13737	25.6
208.12073	4.2
209.13242	6.8
210.13608	7.0
219.11725	3.5
223.13217	5.0
227.12782	4.8
237.16479	4.6
238.16786	4.4
239.17986	9.5
254.41153	3.9
257.19009	25.9
269.17453	9.7
275.20099	46.6
281.17471	87.0
304.05243	4.6
331.22693	7.0
349.23785	13.4
367.24841	4.2
451.26010	3.9
461.28894	23.4
475.30539	45.6
494.06937	4.1
516.39233	5.1
537.35498	9.9
541.34729	5.4
555.36719	48.1
573.37701	19.2
607.43378	10.1
608.43842	56.7
770.48840	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	769.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	13.4
55.05273	3.2
55.05517	45.5
57.03438	16.5
57.07074	6.9
61.02919	10.2
65.03942	8.2
65.99397	2.6
67.05511	99.7
69.03097	3.0
69.03438	41.7
69.07079	37.9
69.25619	28.0
71.04981	12.8
73.02924	4.6
79.05499	92.8
80.53410	2.8
81.03423	64.7
81.06592	6.1
81.07063	100.0
83.04999	16.8
83.08638	20.2
85.02901	23.4
85.06574	3.4
87.04506	3.4
91.03978	3.5
91.04921	3.6
91.05488	90.4
93.07053	92.5
95.05002	21.7
95.08613	65.2
97.02912	26.0
97.06558	18.9
97.10153	6.4
98.21535	6.3
99.04440	15.3
101.02337	3.6
103.05467	4.2
105.04507	3.4
105.07041	91.5
107.04977	18.6
107.08599	42.0
109.02892	15.7
109.06499	14.6
109.10162	26.2
111.04460	7.2
115.05462	8.6
117.07026	43.4
119.04913	3.8
119.08586	54.2
121.06520	7.6
121.10164	31.0
123.08076	8.4
123.11716	7.3
124.68143	2.8
125.09613	4.3
127.03909	16.0
128.06200	8.8
129.05525	4.7
129.07019	36.5
130.07828	5.0
131.04910	3.7
131.08582	62.4
133.06516	4.5
133.10153	50.0
135.08032	12.3
135.11713	22.9
137.09602	6.4
141.07024	20.8
142.07765	9.5
143.08580	37.9
145.06482	7.8
145.10132	46.4
147.08034	7.0
147.11699	29.7
149.09634	9.0
149.13266	11.8
153.01825	8.6
153.06985	3.1
155.08578	20.2
156.09341	5.3
157.06444	6.3
157.10144	27.2
159.08061	9.3
159.11716	32.5
161.09576	4.5
161.13292	11.4
163.11197	8.0
163.14882	3.3
165.07056	7.4
165.12732	3.7
166.07809	3.6
167.08594	12.6
169.10109	24.2
171.08018	5.8
171.11708	28.2
173.04503	28.8
173.09729	5.9
173.13281	17.7
175.11221	5.0
175.14903	4.7
177.12791	5.3
179.08594	8.5
181.10126	16.4
183.08118	2.9
183.11705	25.4
185.09607	4.2
185.13254	22.3
187.11125	5.7
187.14804	7.3
187.91507	2.9
189.12886	3.6
192.09377	3.6
193.10133	8.7
195.11742	23.0
197.13275	15.0
199.14880	9.6
201.12720	3.4
201.16344	3.5
205.10129	6.0
207.11630	10.2
209.13304	18.4
211.11192	4.6
211.14856	12.1
213.12740	5.1
213.16364	5.2
217.15979	3.7
219.11737	4.4
221.13277	8.0
223.11176	3.2
223.14923	13.6
225.12785	3.4
225.16394	5.2
227.14301	3.8
229.19604	3.1
235.14748	8.0
237.16376	6.6
239.17987	5.1
241.19508	7.4
249.16310	3.9
257.18991	11.0
259.20697	13.8
261.16315	3.6
267.15952	4.9
273.18515	3.4
275.20068	35.6
287.20081	3.5
295.20587	4.9
299.20273	3.5
301.21780	3.4
303.04797	3.7
315.23184	7.1
333.24533	4.7
339.23300	6.0
343.22784	4.8
349.21216	5.4
349.24286	5.8
363.82153	2.9
367.22687	12.3
378.30740	3.3
385.23648	7.1
403.25040	5.1
445.30267	3.5
515.38684	5.7
533.40161	4.1
547.47559	3.3
589.42279	3.0
605.41479	3.9
607.34113	6.3
607.43549	85.6
608.43732	4.3
625.44434	4.6
635.38721	3.2
653.39471	5.0
671.41388	10.3
715.45398	9.7
733.46545	8.3
751.47577	10.6
769.48865	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	769.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	13.2
55.05515	37.1
57.03437	12.9
57.07087	4.8
61.02927	16.5
65.03940	8.2
67.05508	77.5
69.03079	3.0
69.03429	30.5
69.07069	30.6
69.23326	7.2
69.23755	12.7
71.01339	2.7
71.04988	8.9
73.02914	8.8
79.05497	77.2
81.03422	60.2
81.06590	4.2
81.07056	73.1
81.07532	4.3
82.07382	2.9
83.04986	14.1
83.08623	13.7
85.02909	20.9
85.06526	4.3
91.03945	7.8
91.04900	3.8
91.05482	72.4
91.96809	2.3
92.05789	2.6
92.53053	1.9
93.07043	68.8
95.04982	14.9
95.08614	50.4
97.02894	28.5
97.06520	12.4
97.10178	11.7
99.04462	9.2
101.02368	3.7
103.05469	2.6
105.04513	4.5
105.07040	65.7
107.04947	11.3
107.08600	40.5
109.02879	10.0
109.06527	6.2
109.10165	29.3
110.06068	1.9
111.04459	5.7
111.08075	5.4
115.05458	4.9
117.07022	29.7
119.08590	43.8
119.09454	2.2
121.06517	7.1
121.10162	20.9
123.08105	5.2
123.11691	5.9
125.02342	2.6
125.09612	6.2
127.03909	9.5
128.06218	12.4
129.05481	5.8
129.07007	25.9
130.07787	3.8
131.08572	41.5
132.08965	2.6
133.06493	7.5
133.10138	29.4
135.08076	8.2
135.11697	13.5
137.09628	3.2
141.06993	12.3
142.07803	7.7
143.08563	30.6
145.06493	6.7
145.10138	34.9
147.08061	4.3
147.11711	21.3
149.09621	8.4
149.13243	6.2
151.11189	4.7
153.01843	19.3
153.07005	4.9
154.07811	4.7
155.08557	22.0
156.09355	5.5
157.06508	1.9
157.10132	26.8
159.08035	6.0
159.11696	20.7
161.09589	3.7
161.13271	7.4
163.11206	4.8
163.14818	2.8
165.07005	7.5
165.09093	2.8
166.07732	3.0
167.08551	15.0
168.09303	4.6
169.10132	21.7
171.07971	2.7
171.11702	20.5
172.12036	2.7
173.04460	24.7
173.09671	6.0
173.13277	16.0
175.11255	4.3
175.14871	5.2
177.12799	3.8
179.08563	7.7
180.09332	4.1
181.10120	15.1
182.10922	2.6
183.11691	21.9
185.09653	2.0
185.13301	12.8
187.11168	2.8
187.14871	5.5
192.09309	2.2
193.10141	8.1
194.10925	2.9
195.08125	2.2
195.11699	17.6
196.12437	3.8
197.09698	3.1
197.13223	17.3
199.11198	3.8
199.14821	7.2
201.12721	2.8
201.16377	3.1
205.10127	4.9
206.10942	2.8
207.11763	9.8
207.13564	2.9
209.13300	17.0
211.10956	2.8
211.14807	7.5
213.16415	3.8
215.14259	2.4
219.11671	5.6
221.13173	9.2
223.14888	11.4
225.16452	5.9
227.12648	2.8
231.11699	2.8
233.13261	3.2
235.14758	7.0
237.16396	7.9
239.17966	4.9
241.19389	5.4
245.13510	3.3
247.14827	3.2
249.16492	4.0
251.18019	2.7
257.19022	4.9
259.20593	5.7
263.17902	4.3
271.20425	2.7
273.18625	4.9
275.20120	15.3
281.06467	2.7
281.17484	7.5
282.17856	6.0
291.19617	15.6
292.19937	10.5
297.22098	2.8
303.05057	4.6
307.20462	3.6
309.21994	2.2
313.21671	2.6
317.20963	2.0
321.22018	2.6
323.23691	3.2
325.21594	3.2
339.23306	3.4
347.23343	2.9
349.24094	3.0
351.23151	3.7
361.25009	3.3
365.23514	5.7
366.23291	3.2
367.22659	6.6
385.23868	4.3
403.24725	3.4
474.29752	2.3
515.38684	9.2
525.36084	2.6
533.39471	3.1
537.35260	4.2
571.35907	5.0
572.36578	25.6
589.42285	4.8
607.43567	100.0
609.45325	3.1
625.44727	4.9
671.41394	4.0
715.45703	3.4
733.46179	4.3
751.47449	11.2
769.48804	53.3
770.48798	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	769.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.7
55.05512	34.5
57.03440	16.2
57.07070	6.3
57.43505	1.7
61.02926	13.3
63.26741	1.8
65.03945	12.0
67.05508	79.0
69.03436	33.2
69.06728	2.6
69.07072	31.4
69.27772	7.9
69.28191	7.8
71.01356	3.2
71.04991	9.1
72.82386	2.1
73.02924	14.0
79.05499	71.7
81.03427	53.5
81.06586	3.8
81.07062	76.1
82.07366	1.9
83.04980	15.5
83.08616	15.2
85.02904	21.7
85.06527	4.5
91.03954	6.5
91.05485	76.0
93.06480	4.4
93.07047	61.3
95.04974	14.4
95.08606	55.9
97.02898	28.1
97.06523	8.6
97.10181	10.2
98.21146	9.0
99.04449	9.3
101.02368	4.0
103.05435	3.7
105.04499	4.4
105.07039	66.5
107.04955	10.3
107.08600	41.2
109.02882	10.3
109.06531	6.4
109.10168	23.0
111.04449	5.9
111.08080	6.2
115.05451	7.0
117.07021	33.0
119.05962	1.8
119.08588	48.0
121.02919	3.1
121.06502	7.5
121.10155	24.9
121.12664	2.0
123.08072	6.6
123.11694	5.7
125.09630	5.7
127.03931	13.2
128.06204	11.1
129.05470	4.7
129.07010	27.2
130.07785	3.9
131.05003	2.7
131.08578	43.3
133.06490	6.7
133.10135	32.9
135.08084	6.7
135.11688	12.8
137.05951	2.9
137.09625	5.4
139.03897	2.2
139.11183	1.9
141.06998	15.2
142.07826	9.2
143.08563	33.4
144.09288	2.4
145.06483	5.8
145.10127	34.1
147.08084	7.1
147.11702	23.8
149.02364	43.9
149.03461	5.6
149.09644	5.4
149.13242	7.3
151.07434	1.7
153.01845	2.4
153.06993	6.0
154.07755	4.8
155.08572	22.6
157.10126	27.4
158.10974	2.1
159.08041	3.8
159.11682	28.9
161.09621	4.7
161.13324	10.5
163.11240	4.9
163.14900	2.6
165.07007	4.6
166.07753	3.8
167.08592	16.4
168.09351	6.2
169.10129	32.0
171.08104	4.3
171.11691	20.7
173.04489	16.5
173.09599	4.3
173.13254	18.4
175.11201	4.6
175.14848	3.4
177.12721	2.3
178.07796	4.2
179.08556	10.3
180.09291	2.1
181.10150	18.9
182.10919	3.5
183.07994	3.8
183.11690	25.1
185.09605	3.2
185.13263	12.3
187.11206	4.0
187.14861	7.1
189.11191	2.5
189.12747	4.7
189.16360	2.7
191.08530	3.2
191.14201	2.6
192.09424	2.1
193.04976	45.7
193.10138	10.7
194.10936	2.3
195.11681	20.0
196.12282	2.5
197.13266	15.6
199.11317	2.8
199.14835	8.3
201.12704	2.4
201.16449	3.2
203.08522	2.4
203.14294	2.5
205.10100	4.1
206.10823	2.5
207.11702	9.1
209.13306	16.2
210.13895	2.3
211.11232	3.5
211.14879	11.5
213.12752	2.3
213.16435	5.1
215.17982	2.9
219.11636	4.6
220.21707	2.1
221.13397	9.7
221.15297	2.1
222.14134	2.3
223.14880	11.8
225.12788	2.0
225.16292	4.7
231.11723	2.6
233.13339	4.4
234.14014	2.5
235.14876	6.9
237.16399	7.9
239.18025	4.9
241.15799	2.2
241.19550	5.8
245.13461	2.7
247.14804	4.7
249.16487	4.3
251.18076	3.5
253.19481	4.0
257.19022	5.2
259.20667	7.3
263.17828	4.4
263.20285	2.2
265.15863	2.5
265.19547	3.0
269.17496	3.1
271.20697	3.9
275.20258	18.8
277.19547	3.5
283.20642	2.5
287.19998	2.3
295.20392	2.7
297.18329	2.5
301.21738	3.5
305.19199	2.5
309.22192	1.9
313.21796	2.7
315.23398	4.7
321.21777	2.2
337.21423	2.3
339.23175	4.2
349.24658	3.9
351.23080	3.0
361.24673	3.6
367.22903	4.7
385.23755	3.5
391.30115	2.9
407.29321	2.5
429.30536	2.4
441.25992	2.2
499.34036	2.2
513.35730	6.4
515.39050	10.7
527.36871	4.6
533.39893	6.8
589.42157	4.6
607.43610	100.0
608.43567	8.0
609.45398	3.3
619.43774	2.6
623.42297	3.0
625.44647	5.6
653.41241	3.4
715.45685	2.8
733.46143	7.9
751.48151	8.9
769.17792	3.0
769.35107	3.3
769.48938	58.1
770.48779	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	769.1248
Annotation	Quercetin 3-(2'',6''-digalloylgalactoside)
Peak:m/z	Relative Intensity
55.01879	0.2
55.11733	0.1
55.43538	0.1
62.80260	0.1
68.99778	0.2
69.03423	0.6
70.63828	0.4
71.04996	0.1
72.57085	0.1
79.01859	5.5
81.03432	1.0
85.02890	0.2
91.05466	0.2
97.02882	1.7
102.39649	0.1
107.01332	1.5
109.02903	1.3
121.02890	0.2
123.00821	0.2
125.02347	2.9
127.03935	1.3
131.04875	0.2
137.02351	0.6
143.03398	6.1
153.01840	100.0
153.02885	5.8
154.02182	1.2
159.04410	0.2
162.54012	0.2
163.03928	0.2
165.01872	0.4
171.02910	1.6
177.05482	0.2
181.01355	0.2
183.02942	0.2
187.03914	0.1
201.05501	0.4
205.04982	0.4
228.04158	0.2
229.04988	0.9
233.04448	0.9
237.03931	0.2
243.02963	0.3
257.04425	0.4
261.03973	0.7
279.05127	0.3
285.04034	0.3
297.06061	3.1
303.05011	16.0
304.05203	0.2
312.44159	0.1
315.07547	0.2
327.05545	0.1
345.06357	0.2
467.08145	1.5
499.24747	0.1
518.85956	0.2
590.05902	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	769.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.03419	0.1
67.95986	0.1
68.99770	0.1
69.03438	0.9
70.86381	0.3
78.14912	0.1
79.01861	4.8
81.03428	1.0
85.02905	0.2
95.26856	0.1
97.02896	1.2
99.04451	0.3
107.01333	1.2
107.04916	0.1
109.02885	0.7
123.00750	0.2
125.02357	2.5
127.03928	1.6
137.02397	0.2
137.05977	0.2
138.51729	0.1
139.03926	0.2
143.03412	5.3
153.01842	100.0
153.02876	5.5
154.02151	1.1
159.04433	0.2
163.03857	0.5
171.02904	0.4
177.05502	0.1
179.03407	0.1
191.03412	1.1
195.02960	0.2
201.05408	0.2
205.04987	0.2
209.04520	0.5
213.03969	0.2
219.02968	0.3
229.04855	0.2
233.04500	0.2
233.11772	0.1
237.03964	3.1
257.04517	0.2
261.03952	0.6
279.04965	0.7
287.05618	0.1
297.06104	1.7
303.05008	5.3
305.02878	0.9
449.07196	4.8
449.12137	0.1
455.06168	0.2
467.08221	1.3
773.97882	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	769.1244
Annotation	Myricetin 3-(2'',3''-digalloylrhamnoside)
Peak:m/z	Relative Intensity
55.01861	0.3
55.05501	0.4
67.05503	0.3
68.99796	0.3
69.03423	0.6
69.17552	1.0
69.17976	0.5
72.52866	0.1
78.86887	0.1
79.01855	3.6
83.04980	2.3
85.02901	0.5
97.02888	0.7
103.29305	0.1
107.01316	0.9
111.04442	3.9
123.00871	0.2
125.02362	2.3
129.05453	0.5
133.02824	0.2
139.03963	0.2
140.57817	0.1
143.03403	5.2
145.06491	0.5
147.04411	0.4
151.03944	0.4
153.01837	100.0
153.02863	4.9
154.02147	1.1
161.05992	0.3
163.03908	0.5
165.01898	0.1
171.04453	0.2
173.06049	0.8
175.03914	0.2
179.03397	2.1
181.01331	2.2
189.05560	0.2
191.03394	0.5
191.07048	0.5
193.04956	0.3
195.02913	0.3
201.05473	1.4
203.03438	0.2
207.02908	7.6
207.06345	0.3
209.02625	0.1
209.04555	0.5
217.04988	0.6
219.03162	0.3
219.06525	5.3
220.15459	0.1
221.04453	2.0
221.08034	0.1
223.02330	1.4
223.05925	0.2
224.36424	0.1
231.29355	0.2
235.06090	0.9
237.03966	1.1
245.04559	1.1
251.05547	0.3
263.05524	2.6
281.06580	14.0
282.06915	0.3
299.07809	0.1
301.03464	0.5
305.02960	0.2
319.04486	1.5
329.02914	1.6
331.04388	1.0
343.04562	0.5
357.06168	0.4
361.05609	0.4
373.05753	0.3
383.07678	0.2
385.05557	1.5
411.07208	0.6
413.87192	0.2
429.08206	0.7
447.09305	0.7
451.08926	0.2
465.10220	0.5
548.49030	0.2
599.10486	0.3
617.10712	0.3
749.74133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	30.7
57.03448	14.9
57.07066	13.1
65.03951	2.9
67.05506	63.0
68.27039	2.6
69.07071	41.2
71.05000	3.3
71.06806	4.8
71.08621	6.6
79.05079	2.8
79.05500	35.2
81.07061	68.2
83.08618	18.7
83.92780	2.8
84.08091	2.8
85.02903	4.1
91.05489	23.8
93.07049	51.3
95.08612	53.2
97.06518	7.0
97.10169	16.4
105.04556	3.1
105.07059	12.8
107.08591	26.4
109.10156	22.3
110.34129	2.5
111.11783	2.6
112.71025	3.1
117.07059	5.5
119.08571	11.5
121.06528	2.9
121.10172	24.0
123.11693	12.4
131.08543	8.5
133.10133	7.0
135.11700	19.7
137.13316	4.5
145.10117	5.8
147.11684	6.5
149.13240	10.4
159.11635	5.1
161.13251	6.7
163.14816	4.1
173.13274	8.1
184.07341	5.7
188.94550	2.6
237.22130	3.6
243.21121	9.8
261.22168	33.2
311.25815	100.0
317.24780	5.9
335.25787	81.3
427.72482	2.9
462.44424	2.9
571.47162	40.3
589.48010	6.5
590.30219	3.8
656.49597	4.5
754.44989	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.05507	0.2
67.05485	0.2
68.99780	0.3
69.03430	0.6
69.62193	0.2
70.06586	0.2
73.02898	0.2
79.01866	3.4
79.05488	0.3
81.07066	0.3
83.04975	0.3
85.02916	0.3
86.09705	0.2
89.06026	0.4
95.08628	0.3
97.02896	0.9
105.07005	0.2
107.01337	0.9
107.08598	0.2
109.02864	0.3
111.04453	0.7
119.08588	0.2
121.06560	0.2
125.02362	1.9
127.31526	0.2
131.08681	0.2
133.08588	0.3
133.10202	0.2
137.02357	0.2
137.05983	0.3
143.03412	3.7
153.01842	100.0
153.02872	4.9
154.02168	1.5
161.02451	0.2
163.03926	0.2
175.03847	0.2
177.01833	0.2
177.05431	0.2
179.03406	0.4
181.01352	0.2
191.03375	1.0
201.05453	0.2
207.02899	0.5
217.05061	0.3
219.06476	0.8
221.04478	1.1
223.02551	0.2
235.06009	0.2
237.03931	0.4
241.04884	0.2
245.04501	0.7
263.05557	1.3
269.04416	0.2
281.06702	1.2
297.03952	0.2
299.07739	0.4
303.05023	1.3
305.02884	3.5
315.05038	0.7
319.04605	1.3
329.03055	1.1
329.06552	0.2
331.04578	1.2
343.04495	3.1
357.05869	0.3
359.03937	0.5
361.05612	2.6
373.05655	0.3
385.05389	0.8
389.04996	1.4
411.07178	0.6
415.06509	0.2
429.08188	0.7
433.07672	0.8
447.09180	1.1
451.08566	0.6
465.10333	0.6
513.06647	0.3
566.30951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01871	0.5
55.05512	1.6
57.03431	1.7
57.07066	0.9
57.92028	0.4
60.54646	0.4
61.02930	6.0
67.05508	7.1
69.03432	3.2
69.07069	1.6
71.01360	0.4
71.05007	2.0
71.06387	0.8
71.06738	0.5
71.08614	1.2
73.02920	3.6
79.05504	4.7
81.03411	2.1
81.07061	6.3
82.07361	0.5
83.08623	0.9
85.02909	4.9
85.10152	0.4
87.04465	0.6
91.03950	3.3
91.05480	3.5
93.07052	4.3
95.08607	3.9
97.02902	5.3
97.06512	0.5
99.04457	0.5
101.02408	2.4
103.03934	0.6
105.07052	2.2
107.08586	3.6
109.02879	0.9
109.10169	2.0
111.08153	0.7
115.03942	0.6
117.07032	1.0
119.08592	1.1
121.10193	1.3
123.11744	0.7
127.03956	1.8
127.89873	0.4
131.08574	1.2
133.10167	1.8
135.11702	1.5
145.04895	0.4
145.10136	1.2
147.11705	0.6
149.13275	0.8
151.11269	0.8
159.11687	0.8
183.13957	0.4
243.08427	2.5
267.15881	1.4
323.18475	0.5
335.25891	0.8
485.23715	4.1
519.29272	8.0
520.29761	0.5
552.57306	0.5
675.57739	0.5
763.46045	100.0
764.46680	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	1.4
55.01866	0.6
65.03940	2.2
68.99797	7.2
70.18645	2.1
79.01842	1.1
81.03425	2.6
91.05486	0.9
93.03431	0.7
95.04984	0.8
99.04459	0.8
105.03388	1.0
109.02891	2.9
111.00799	6.8
111.04450	1.7
119.05024	0.5
121.02866	3.0
121.06512	0.5
123.04430	9.6
127.03925	54.1
128.04236	0.7
128.06107	0.5
131.04893	0.6
133.02838	2.4
133.31947	0.5
135.04404	1.7
137.02213	0.7
139.03908	100.0
140.04228	1.2
143.03394	0.8
147.04424	5.0
149.02328	2.8
149.05994	1.7
151.03911	26.5
153.01837	7.6
153.03000	0.9
155.03371	2.5
157.06538	1.0
158.93948	0.5
159.04428	1.1
161.06004	1.3
163.03897	10.7
165.05498	1.5
167.03374	2.9
171.04422	2.5
173.06015	1.0
175.03922	8.8
177.05473	4.7
179.03403	23.1
181.05022	2.2
183.04379	0.6
185.05965	1.8
187.03973	1.2
189.05447	3.3
191.03375	7.6
193.04979	2.7
197.05959	0.6
199.04015	2.7
201.05469	3.7
203.03395	14.2
205.04948	4.4
211.03902	0.7
213.05472	4.2
215.03386	0.8
217.04924	3.7
219.06561	0.5
223.02386	0.9
227.03448	1.5
229.04913	4.0
231.02989	0.7
231.06427	2.7
233.04483	3.6
241.04959	2.0
245.04466	11.6
247.06110	0.6
251.05632	1.1
253.05122	1.1
257.04453	9.2
259.05945	2.7
263.05518	18.3
264.05994	0.7
269.04428	4.8
271.06046	2.1
275.05475	9.9
277.07220	1.1
287.05511	29.6
288.05988	1.0
289.07053	5.2
295.05975	0.9
299.05515	13.0
301.07050	1.7
305.06570	7.4
311.05737	0.9
313.07166	1.0
317.06537	15.0
323.05643	1.9
331.08182	1.2
361.07129	1.0
389.06403	1.1
395.07693	1.6
407.07639	7.1
425.08670	23.6
426.09155	0.9
437.08646	1.8
443.09720	4.2
449.08749	1.6
467.09613	1.7
575.12726	0.6
595.11133	1.0
766.85712	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	1.4
53.03932	0.6
55.01861	1.1
65.03928	1.8
68.99791	6.0
69.93191	2.3
79.01834	0.5
81.03407	2.1
83.04962	0.5
95.04986	0.6
97.02873	0.6
99.04433	0.7
99.91985	0.5
105.03384	1.1
107.04919	0.5
109.02890	4.1
111.00814	5.1
111.04450	1.8
119.04941	1.2
121.02847	2.1
123.03577	0.8
123.04431	8.8
125.02303	0.5
126.52599	0.5
127.03917	59.2
128.04248	0.5
131.04915	0.7
133.02847	2.3
135.04439	1.9
139.03902	100.0
140.04253	1.0
141.06993	0.6
143.03416	0.5
145.06458	0.6
147.04404	5.1
149.02338	1.7
149.06039	0.9
150.03137	0.6
151.03903	31.0
152.04277	0.8
153.01822	8.5
153.02960	0.8
155.03391	4.9
157.06508	0.8
159.04384	1.4
161.05994	1.0
163.03917	7.5
165.05492	1.3
167.03389	2.4
169.06458	0.9
171.04442	1.3
173.05989	1.1
175.03894	9.0
177.05495	4.3
179.03394	29.9
180.03668	1.0
181.04947	1.9
183.04384	0.7
185.05978	1.5
187.03824	0.9
189.05402	2.7
191.03386	5.5
193.04999	2.7
197.05994	1.1
199.03876	2.6
201.05493	3.8
202.06252	0.5
203.03398	13.8
205.04938	3.1
213.05478	3.8
217.04959	3.3
223.02336	0.7
225.05507	0.7
227.03419	0.7
229.04936	3.4
231.03030	0.7
231.06468	2.3
233.04453	3.6
238.51892	0.5
241.04961	2.1
243.06532	0.6
245.04457	10.6
247.06062	1.0
253.04945	0.8
257.04465	7.0
259.06088	2.0
263.05490	14.2
269.04489	3.2
271.05988	2.7
273.03772	0.5
275.05466	10.0
277.07043	2.4
281.04428	0.8
287.05496	35.8
288.06042	1.1
289.07108	6.5
295.06049	0.8
297.07700	0.7
299.05493	14.7
301.07062	0.8
305.06549	10.0
307.08051	1.2
311.05466	0.7
317.06567	13.5
323.05493	1.6
331.08185	1.3
341.06436	0.7
361.07288	0.7
389.06845	0.6
395.07443	1.1
407.07623	6.9
408.08533	0.7
425.08636	19.7
437.08594	2.0
443.09586	3.3
449.08862	1.1
455.09607	0.9
459.08954	1.0
467.09879	1.3
576.87909	0.6
595.10681	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	1.3
55.01872	0.9
63.48608	0.4
65.03938	1.7
67.05489	0.5
68.99794	7.6
69.03421	0.4
69.87156	1.0
69.87549	0.8
79.01855	1.0
81.03434	2.6
82.06561	0.4
84.08145	0.5
91.05486	0.6
92.38284	0.4
93.03375	0.5
95.04957	0.9
99.04478	0.5
105.03395	0.8
107.04954	0.5
109.02892	4.0
111.00797	6.1
111.04433	1.3
119.04967	1.3
121.02879	2.4
123.04440	9.6
125.02357	0.5
127.03918	54.1
128.04251	0.4
130.08575	0.5
131.04935	0.7
133.02869	2.0
135.04391	1.6
137.02362	0.7
137.06017	0.6
139.03903	100.0
140.04236	1.6
147.04428	4.6
149.02357	2.4
149.05986	1.2
151.03903	29.0
153.01834	10.0
153.02957	0.8
155.03429	3.6
155.04674	0.7
157.02814	0.5
159.04372	0.8
161.02408	0.4
161.05994	0.9
163.03902	10.8
165.05479	1.6
167.03429	3.7
171.04419	1.2
173.06024	0.9
175.03903	8.1
177.01923	0.5
177.05458	3.9
179.03397	23.6
180.03699	0.5
181.04961	2.7
183.04393	0.9
185.05942	1.3
187.03908	1.3
189.05516	3.2
191.03380	7.0
193.04970	2.6
197.06001	0.7
199.03915	3.4
201.05469	3.7
203.03401	14.1
205.04924	4.1
213.05464	4.0
215.03313	1.0
217.04976	4.5
219.06583	0.6
223.02344	1.1
225.05492	1.0
227.03297	0.8
229.04939	4.2
231.06548	2.1
233.04443	3.7
241.04942	1.7
243.06583	0.8
245.04468	11.4
246.05060	0.4
247.06015	0.8
251.05478	0.9
253.04851	0.9
257.04456	9.6
258.04947	0.7
259.06024	2.5
263.05515	17.9
269.04471	5.7
271.05969	1.8
275.02551	0.8
275.05518	10.6
277.07224	1.9
281.04300	0.5
283.06039	0.4
287.05502	30.9
288.05829	1.1
289.03928	0.5
289.07056	6.0
295.05960	1.2
297.07678	0.7
299.05511	13.9
300.05542	0.5
301.06985	1.5
305.06528	9.3
307.07977	1.5
311.05496	1.2
313.06891	1.2
317.06552	16.8
323.05399	2.0
331.08142	0.9
341.06757	0.7
361.07117	0.5
367.42212	0.4
389.06503	0.8
395.07971	1.8
407.07614	7.8
425.08670	20.5
426.08728	0.8
437.08798	2.1
443.04074	0.6
443.09705	6.0
449.08423	1.1
455.09409	0.5
459.08948	0.9
461.39398	0.4
467.09387	1.5
555.67029	0.5
575.11151	0.8
577.09985	0.5
595.10364	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.0
57.07077	49.8
59.05001	12.8
65.83324	0.6
67.05502	2.0
69.03429	0.8
69.07066	2.0
71.08633	48.4
71.51803	0.8
73.02904	1.4
73.06551	5.7
79.05500	0.8
81.07070	0.9
83.04987	0.7
83.08621	2.4
83.59566	0.6
85.10184	41.0
87.03947	0.7
87.04476	18.2
89.06035	100.0
91.05471	1.0
93.07038	1.5
95.04988	0.8
95.08601	1.3
97.10222	0.7
99.11744	4.0
103.07587	6.7
105.03393	0.6
107.07084	1.4
109.10159	1.0
111.11748	0.8
115.07565	0.7
117.09143	5.2
128.71727	0.6
130.08652	1.9
131.07051	5.8
133.08609	65.7
135.10204	0.7
141.16373	3.8
153.01797	1.0
159.12738	0.6
161.11740	1.1
175.09676	4.7
177.11224	26.6
199.20609	3.9
219.12332	1.9
221.13824	6.9
239.15054	1.0
243.23305	3.6
256.26471	0.6
265.16571	1.8
283.17554	1.9
309.19193	1.1
327.20279	1.4
353.22073	0.8
397.24539	0.7
547.33374	4.6
762.42603	1.2
762.56116	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	763.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.7
55.01871	0.9
63.72819	0.3
65.03942	1.9
67.05502	0.4
68.99789	4.3
70.25854	0.2
71.21826	0.3
71.92571	0.3
79.01845	0.8
81.03424	1.4
83.05011	0.4
85.02932	0.3
89.60551	0.3
91.05495	0.6
93.03400	0.7
95.04976	0.4
97.02888	0.7
98.20631	0.6
99.04443	0.4
105.03380	0.8
107.01302	0.5
107.04972	0.9
109.02879	2.8
111.00825	4.3
111.04449	1.1
115.05434	0.5
119.04939	0.4
121.02863	3.5
123.04443	7.2
125.02313	0.5
127.03928	26.8
131.04912	0.7
133.02904	1.4
135.00737	0.6
135.04395	1.5
137.02328	0.5
139.03914	100.0
140.04274	1.0
143.03462	0.7
145.02840	0.7
147.04422	3.4
149.02348	1.9
149.05971	0.7
150.03137	0.4
151.03917	23.5
153.01843	9.6
153.02954	1.0
155.03412	4.5
155.04651	0.4
156.73888	0.3
157.06534	0.6
159.04440	0.9
161.05988	0.8
163.03926	8.4
163.05247	0.5
165.05490	1.0
167.03458	1.7
171.04459	1.0
173.02333	0.7
173.05978	0.7
175.03926	6.2
177.05515	2.5
178.05367	0.3
178.07103	0.4
179.03409	22.4
180.03789	0.5
181.04985	1.5
181.06372	0.4
185.05956	0.7
187.03975	1.1
189.05457	1.5
191.03412	2.6
193.04962	2.8
197.06006	0.7
199.03941	1.6
201.05504	3.7
203.03416	10.3
205.04993	2.9
213.05463	3.5
215.03452	0.9
215.07082	0.4
217.05005	2.9
219.06628	0.5
221.04582	0.7
221.39616	0.3
223.02464	0.7
225.05511	0.5
227.03427	1.3
229.05005	2.6
231.06607	1.4
233.04472	1.2
237.05478	1.0
241.04988	2.3
243.06494	0.5
245.04492	7.7
247.02184	0.4
247.06067	0.5
253.05081	0.8
255.06584	0.3
257.04471	7.4
259.06006	2.1
263.05560	9.1
264.05951	0.5
265.05072	0.5
269.04449	7.5
271.06006	2.0
273.04202	0.3
275.05502	7.5
277.07159	2.4
281.04517	0.8
283.06091	0.7
287.05530	27.5
288.05807	0.7
289.07098	6.2
295.06168	0.7
299.05539	7.9
301.07117	1.7
305.06601	10.6
307.08292	0.7
311.05527	4.8
312.96790	0.3
313.07040	0.6
315.05215	0.3
317.06601	6.1
323.05539	0.9
329.06595	5.6
330.06970	0.4
331.08121	1.2
341.06665	0.6
344.78339	0.3
365.06653	0.4
389.06372	0.3
407.07559	4.3
425.08713	13.7
426.09442	0.3
437.08704	3.6
443.09607	2.0
449.08655	2.7
455.09949	2.7
467.09781	4.7
485.10779	0.6
538.63904	0.3
575.11725	0.5
577.09875	0.7
593.12836	1.2
595.10834	0.8
684.82861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
54.90073	0.7
55.01863	1.1
55.05511	2.3
56.00536	0.7
56.48694	0.7
57.03429	1.7
58.99591	2.0
61.02925	4.0
65.03946	0.8
67.05501	3.9
69.03432	3.2
69.07069	3.3
69.62530	3.7
70.06600	1.4
71.04980	0.8
73.02927	3.6
76.02234	9.2
77.03922	1.1
79.05501	3.2
80.05022	5.2
81.03426	2.1
81.07069	5.1
83.08633	1.3
84.04524	1.6
85.02914	4.3
91.03954	2.2
91.05483	12.5
93.07053	19.1
94.06573	1.1
95.04958	3.4
95.08628	4.2
96.08152	1.1
97.02910	2.9
97.10191	0.8
98.06068	1.9
103.05464	11.0
105.04520	1.2
105.07037	3.8
106.06551	1.1
107.04955	2.3
107.07357	1.0
107.08604	2.4
108.08109	1.2
109.10148	1.9
116.01712	2.4
117.07026	1.0
119.04980	0.9
119.08618	2.1
120.08174	0.9
121.06513	86.7
121.10168	1.7
122.06843	1.2
127.03948	1.5
129.07069	1.0
130.05014	0.8
131.08609	2.2
133.10155	1.9
135.11761	0.9
137.06010	1.4
139.03876	4.1
140.10474	0.9
140.79364	0.9
144.01158	1.7
145.10191	1.9
147.11610	0.8
151.03926	1.6
152.38644	0.7
153.01817	3.9
159.11823	1.1
162.02196	6.7
163.03943	1.4
171.11687	0.9
174.09212	1.2
179.03410	1.5
179.04871	12.8
187.14893	0.8
200.10724	4.8
204.13991	1.0
206.15410	1.0
218.11737	5.6
218.15341	1.0
233.06046	1.7
236.16591	1.3
250.18112	1.6
271.67032	0.8
275.20026	4.6
279.00394	0.8
287.05417	1.0
293.21124	2.6
308.09174	4.7
316.26538	1.5
344.25888	4.1
362.27078	3.2
368.22644	1.7
380.28192	2.0
434.29169	1.6
436.30606	13.8
446.05078	0.9
448.30902	1.1
480.33002	1.1
500.33878	2.1
528.36847	0.8
554.34680	1.1
556.36353	15.3
557.37048	1.6
598.36090	1.2
600.29608	4.7
600.38342	1.0
718.41663	48.5
719.42035	3.6
762.44281	100.0
763.46442	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	762.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01878	1.3
55.05518	4.0
57.03431	2.4
57.07079	0.7
61.02651	0.7
61.02934	9.8
65.03928	1.3
67.05180	1.1
67.05512	14.6
69.03435	6.0
69.07076	5.7
69.30682	2.2
69.31119	2.6
70.06599	1.5
71.01334	0.8
71.04997	1.9
73.02925	6.0
79.05502	10.7
81.03433	3.9
81.07063	13.3
83.04978	1.5
83.08630	3.6
84.08145	0.6
85.02911	8.9
85.06531	1.3
89.06009	0.6
91.03967	4.5
91.05492	20.4
93.07050	18.0
95.05000	3.7
95.08615	8.6
96.83997	0.5
97.02901	7.6
97.06527	2.6
97.10162	1.7
99.04446	0.8
101.02354	1.6
103.05476	3.9
105.04536	0.7
105.07040	14.9
105.44241	0.8
107.04971	2.1
107.08601	6.8
109.02882	1.7
109.06505	1.7
109.10151	3.1
111.08051	1.2
115.05470	1.9
117.06335	0.8
117.07030	6.8
119.04915	0.9
119.08587	9.3
121.06516	60.5
121.10117	4.1
123.08095	2.0
125.09640	0.7
127.03965	3.0
128.06161	1.3
129.07021	5.9
131.08578	13.1
133.06500	2.2
133.10144	5.2
135.08041	1.7
135.11690	1.9
136.07576	2.0
136.12024	0.7
137.09613	1.3
138.09140	5.0
139.03909	3.5
141.06972	2.6
142.07716	0.9
143.08569	5.7
145.06566	0.8
145.10139	9.2
145.11188	1.0
147.08047	2.7
147.11707	2.8
149.09616	1.7
151.03903	1.2
151.11208	0.8
153.01825	2.3
153.09044	0.6
155.08556	4.0
157.10139	5.1
159.08057	1.6
159.11711	4.3
161.09636	0.9
161.13220	0.8
163.11211	1.1
165.12746	0.6
167.07080	1.3
167.08583	1.6
169.10168	3.4
171.08037	0.8
171.11739	3.8
173.13292	2.3
175.14787	0.8
179.03398	0.6
181.10167	2.0
183.11697	2.1
185.09613	0.7
185.13268	2.3
187.11348	0.8
187.14864	1.7
187.18690	0.6
195.11729	1.5
197.13234	2.2
199.14830	1.1
203.14317	0.6
209.13257	1.2
211.14856	1.3
213.12848	1.9
213.16235	0.7
215.14365	0.8
223.14796	1.6
225.16434	0.8
227.14343	1.4
237.16583	0.7
241.15727	0.7
258.74081	0.6
259.16678	0.9
283.14969	0.7
287.05273	0.8
287.20282	0.9
325.25345	1.6
335.23880	1.5
343.26294	1.2
353.24747	3.8
371.25873	4.1
389.26917	1.6
443.27924	0.7
445.29352	7.6
463.30453	5.6
476.09299	0.7
501.23169	2.2
502.23569	3.8
600.39111	13.7
762.44220	100.0
763.44781	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	760.578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72815	1.1
55.05507	2.7
57.03437	2.5
57.07080	100.0
59.05006	26.8
64.72662	1.0
67.05486	3.9
69.07052	2.3
71.08637	71.0
71.51647	1.1
73.06541	1.7
79.05480	2.6
81.07053	4.1
82.07372	1.0
83.08601	2.6
85.10189	60.0
87.04465	6.3
89.06037	45.9
91.05488	1.8
93.07028	1.3
95.08604	1.9
96.92162	1.0
97.10152	2.6
99.11744	12.8
101.09651	2.3
102.09839	1.0
105.07021	1.5
111.11714	1.5
113.13274	2.9
117.09138	10.9
131.06985	1.5
133.08617	34.4
155.17966	8.6
158.00212	1.2
177.11238	14.7
184.07397	5.3
191.08351	1.1
210.19705	0.9
213.22169	14.6
221.13828	3.1
271.26337	17.5
382.07111	1.1
415.25400	7.2
473.30020	1.0
547.32202	1.2
760.28851	1.2
760.41174	15.4
760.55981	2.0
761.40698	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50757	0.8
55.05516	2.3
57.03445	1.8
57.07080	100.0
59.05007	30.5
67.05517	2.4
69.07080	2.1
69.25153	2.8
69.25588	3.9
71.08638	66.4
73.06556	1.0
76.22869	0.7
79.05515	2.2
81.07057	3.8
83.08623	2.1
85.10190	55.1
86.09718	2.0
86.10544	1.0
87.04479	8.2
89.06040	47.1
90.01932	1.2
91.05492	1.2
93.07073	1.2
95.08632	1.7
97.10204	3.3
98.21524	1.4
99.11749	10.2
101.06034	0.9
101.09706	3.2
103.07622	0.9
105.07055	1.4
107.08618	1.1
109.10172	1.3
113.13305	4.3
117.07081	0.7
117.09143	10.4
119.08630	1.1
131.07089	2.6
133.08614	36.2
145.10165	0.9
155.17979	7.7
161.92128	0.8
175.09798	1.4
177.11241	15.8
177.12639	1.1
183.79048	0.8
184.07365	5.5
195.59074	0.8
213.22156	13.9
221.13956	2.5
231.17993	0.7
271.26382	14.1
271.58987	0.7
278.68433	0.9
287.28519	0.8
323.74234	0.8
327.20416	0.9
397.87039	0.8
404.77264	0.8
415.25339	7.4
455.29077	1.0
473.29956	0.8
505.38394	1.0
563.42450	1.9
598.45178	1.1
639.97992	0.8
666.59082	0.9
760.41510	10.2
760.56293	1.4
761.41351	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.6
55.01859	2.5
55.05511	18.0
57.03437	13.0
57.07078	4.6
61.02925	4.8
65.03978	2.1
67.05508	65.6
68.05833	1.6
69.03406	4.2
69.07071	15.6
69.22820	3.4
69.23228	13.9
71.04967	3.6
71.08628	1.9
73.02934	2.3
79.05497	44.8
81.03423	64.9
81.07060	56.4
83.04984	7.1
83.08620	20.6
85.02920	5.8
86.09718	7.5
91.03963	2.0
91.05486	32.6
92.05823	3.0
93.07051	48.4
95.04964	24.1
95.08616	34.6
97.02907	4.1
97.06545	4.9
97.10181	4.8
98.21157	8.1
103.05484	1.7
105.07038	27.2
107.04969	7.3
107.08605	27.1
107.09303	2.6
109.06524	5.5
109.10164	17.1
111.08095	5.4
114.74915	1.7
117.07038	6.1
119.08601	21.7
121.06548	3.6
121.10146	20.2
123.04482	2.0
123.08097	2.9
123.11716	7.2
124.99997	4.6
125.09654	4.1
127.03965	3.1
128.06248	2.4
129.07002	6.4
131.08578	18.5
133.06537	2.3
133.08635	1.9
133.10165	11.9
135.08081	3.0
135.11713	14.6
137.13284	2.8
139.11211	2.1
142.54004	2.1
143.08578	2.3
145.10127	9.4
147.08064	3.5
147.11696	14.0
149.09644	5.9
149.13260	5.9
155.08524	2.4
157.10147	8.0
159.11690	7.1
161.13246	4.3
163.11212	1.8
163.14844	3.3
165.12744	2.1
171.11816	2.2
173.13249	5.8
175.11208	4.7
176.12137	2.0
183.11710	2.2
184.07326	24.8
187.14787	3.5
189.11275	2.1
193.12265	17.4
195.13982	1.7
227.12807	3.1
243.21133	2.9
249.14891	2.1
261.22156	11.2
267.15930	68.9
268.16425	2.1
285.17252	2.6
301.25464	5.9
309.16885	2.1
317.24744	3.7
333.24292	2.1
335.25812	58.4
336.26434	3.1
375.84048	1.6
435.32748	4.9
453.33801	5.9
465.21362	2.5
466.21378	2.7
470.61359	2.1
471.34869	3.3
527.37292	40.2
527.44623	3.2
536.29474	3.1
545.38367	34.8
546.38007	2.5
569.38043	4.0
713.27692	2.2
760.43188	100.0
761.42670	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	759.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.8
55.01868	7.5
55.05514	35.8
56.72438	4.0
57.03443	18.5
57.07076	8.9
61.02920	14.1
65.03943	9.6
67.05507	86.2
68.45747	3.7
69.03413	12.9
69.07066	26.3
71.05003	5.3
71.08614	3.6
73.02911	7.8
79.05495	72.3
81.03436	6.3
81.07058	100.0
83.04981	3.5
83.08613	19.1
85.02902	14.3
85.06545	5.1
86.09720	9.1
91.03963	8.8
91.05477	75.8
93.07051	86.3
95.04974	7.1
95.08611	65.6
97.02894	10.2
97.06545	9.5
97.10180	8.0
105.07033	76.4
107.08601	42.7
109.06535	6.4
109.10152	30.2
117.07001	24.6
118.07439	4.0
119.08578	66.6
121.10159	35.6
123.08080	4.5
123.11754	6.4
125.00031	6.3
128.06235	4.8
129.07022	15.1
131.08572	49.0
133.10127	49.2
134.56010	3.5
135.11700	23.4
137.09598	3.9
141.06900	4.5
142.07742	6.2
143.08575	24.6
145.06523	5.8
145.10141	50.2
147.11681	42.5
149.13277	13.2
151.07561	4.8
155.08611	4.0
157.10153	20.2
159.11694	30.7
161.13243	25.7
163.14861	5.6
169.10132	10.7
171.11673	27.8
173.13295	22.4
175.14856	11.2
181.10172	5.8
183.11769	10.4
184.07315	31.6
185.13258	18.4
187.14803	9.7
197.13232	8.4
199.14836	9.7
209.13242	4.8
211.14839	8.2
212.34047	4.2
213.16379	9.1
225.16418	4.5
225.26300	3.6
227.17990	8.6
231.21201	4.8
241.19627	22.6
245.19029	5.2
256.45621	3.8
257.19025	6.6
259.20636	38.1
271.20642	5.4
283.26285	6.8
284.26764	6.1
301.21768	3.8
319.22656	8.4
321.24274	45.5
333.24136	21.7
335.25848	14.8
377.35611	5.0
380.13266	4.2
432.43610	3.9
436.26547	3.8
453.65466	3.6
505.40143	9.1
579.43787	8.3
597.45172	95.6
598.45502	7.7
687.46234	8.8
759.50647	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	759.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01875	0.5
55.05515	2.0
55.98265	0.4
57.03438	1.7
60.82106	0.4
61.02929	4.1
63.93034	0.4
65.03958	0.6
67.05507	5.2
69.03440	2.0
69.07085	2.1
69.27802	4.0
70.72548	0.5
71.01379	0.5
73.02926	2.9
74.90226	0.4
79.05498	6.4
81.03414	2.9
81.07066	5.1
83.05000	0.9
83.08637	1.0
85.02905	3.7
86.09715	0.5
91.03958	2.5
91.05494	5.3
93.07053	6.8
95.04991	1.3
95.08610	3.6
97.02901	3.2
97.06532	0.6
99.04456	0.5
101.02397	1.7
105.04521	0.5
105.07038	4.8
107.05001	0.7
107.08615	2.6
109.02882	0.8
109.10188	0.9
117.07047	1.1
119.08588	3.5
121.10205	1.1
123.08083	0.8
127.03938	1.2
129.07031	1.2
131.08575	1.1
133.10127	2.2
135.11740	1.0
143.08662	0.8
145.10162	1.2
147.11703	3.2
149.13318	0.5
159.10448	0.4
159.11719	1.0
161.09628	0.7
161.13274	1.0
171.11710	1.1
184.07413	0.8
185.04254	0.9
208.51564	0.5
243.08382	2.6
247.13118	0.7
267.15979	1.1
282.79797	0.5
301.08914	0.8
335.25995	1.6
404.17725	0.5
447.09406	0.4
465.20984	9.9
495.21979	0.8
527.37390	0.7
535.28918	4.2
537.23676	1.0
689.35461	0.6
693.12439	0.5
702.17358	0.5
759.42944	100.0
760.43353	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	758.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01888	1.5
55.05516	18.1
57.03440	7.2
57.07078	2.9
59.05000	1.1
61.02922	3.4
65.03947	2.0
65.22803	1.0
67.05511	68.4
69.03431	2.4
69.07072	13.3
70.63616	2.9
71.04999	19.9
73.02914	1.5
79.05496	40.8
81.03406	1.4
81.07063	100.0
82.07381	1.1
83.04985	3.2
83.08624	6.8
85.02911	3.0
85.06545	9.1
88.99103	0.9
91.05486	31.1
93.07049	41.1
95.04970	2.7
95.08615	30.2
97.02905	1.0
97.06546	4.5
97.10165	2.5
97.82619	0.9
99.08108	2.2
102.61494	1.0
105.04511	2.4
105.07031	16.0
107.08591	23.1
109.06544	1.6
109.10163	12.1
111.08105	2.1
117.07032	4.4
119.08593	9.3
121.10153	17.3
123.08168	1.5
123.11700	15.1
131.08575	7.6
133.10133	18.9
135.11688	9.2
145.10135	4.6
147.11687	4.3
149.13278	5.0
151.11197	6.3
159.11711	5.2
161.13287	4.4
163.14651	1.2
171.11723	0.9
173.13287	2.7
175.14786	1.5
177.12700	2.6
183.13802	3.0
184.07365	2.8
185.02530	1.1
187.13269	3.1
187.14799	2.2
194.98828	1.1
195.13800	1.6
195.23016	0.9
227.16463	2.0
228.10202	1.1
243.15903	1.3
257.17502	1.5
260.22052	1.1
261.22192	3.0
269.17569	6.1
301.20102	17.2
312.53680	0.9
335.25793	29.0
336.26428	1.0
363.25577	1.3
371.67319	1.0
411.32480	1.3
485.36722	2.1
503.37341	96.7
504.37759	3.9
517.39154	5.4
529.38885	13.0
561.41534	88.6
562.41675	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	758.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
54.28304	3.3
55.01877	9.3
55.05511	28.6
57.03435	17.5
65.03939	6.5
66.11407	3.5
66.49291	4.0
67.05508	79.4
68.79409	3.7
69.03434	11.0
69.07071	36.8
71.04992	11.0
73.02943	4.5
79.05493	67.6
81.03426	27.3
81.07057	100.0
83.04981	15.9
83.08619	27.0
85.02918	4.7
85.06554	8.5
86.09711	5.7
91.05490	52.4
93.07050	85.5
95.04965	18.5
95.08607	47.8
97.02875	5.3
97.06522	19.4
98.21520	9.9
99.08095	6.5
102.35207	4.2
105.07029	53.0
107.04964	8.4
107.08597	56.1
108.98916	4.0
109.06512	7.9
109.10155	12.5
111.08071	14.0
117.07032	17.6
119.08577	35.6
121.06513	6.5
121.10152	34.3
123.08068	7.3
123.11668	5.4
125.09598	5.7
126.28388	4.5
129.07030	10.7
131.08563	24.8
133.03564	3.6
133.10153	29.8
135.08054	8.1
135.11682	21.7
138.13963	3.5
141.07024	4.2
142.07828	3.9
145.10132	12.6
147.11703	27.8
149.09720	8.4
149.13278	26.9
153.12834	4.3
155.08583	4.3
157.10167	8.4
159.11687	22.3
161.13278	9.3
163.11166	6.7
171.11732	6.0
173.13211	8.5
175.11142	6.4
177.12730	6.3
184.07306	8.8
193.12260	13.8
195.13832	13.0
199.16891	7.2
211.13237	21.9
213.14726	4.6
227.12752	9.5
229.11142	4.8
231.21318	4.1
241.19571	8.2
257.18988	6.1
259.20575	13.6
269.17474	68.0
275.20023	22.8
285.17007	20.8
324.38455	3.7
333.24258	19.6
335.25208	4.9
341.95386	3.8
348.11719	4.1
349.23697	18.5
449.28946	15.0
451.31976	5.0
463.30637	64.1
517.35919	4.7
525.35614	7.6
543.36774	67.5
561.37238	13.5
596.40704	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	758.412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
53.98532	0.6
55.01888	1.0
55.05513	1.9
57.03432	1.6
60.44300	0.6
61.02926	2.3
65.03930	3.1
67.05521	4.7
69.03446	1.9
69.07071	1.3
69.40427	1.7
69.40839	3.6
70.06596	2.7
71.05000	1.4
73.02921	2.4
79.05499	2.8
81.03410	3.7
81.06662	0.8
81.07073	4.6
81.53296	0.7
83.04991	1.3
83.08625	1.7
85.02911	2.9
85.03387	0.7
86.09733	0.9
87.04465	0.8
91.03962	1.5
91.05486	50.5
93.07052	3.7
95.04982	2.3
95.08624	1.6
97.02924	2.3
97.06530	0.9
101.02403	0.8
103.05485	2.1
105.07049	2.5
107.04977	1.3
107.08585	1.2
109.06533	2.2
109.10180	2.3
111.08092	1.1
111.78175	0.7
116.07098	1.2
118.06557	2.9
119.04952	18.9
119.08601	1.7
120.08123	1.1
121.06517	11.1
121.10179	1.9
123.04482	0.9
125.09631	1.1
127.03986	0.8
129.06964	0.8
130.06517	1.6
131.07315	0.8
131.08641	1.3
132.08112	1.6
133.10141	0.8
135.08063	0.9
135.11789	0.9
137.05989	41.6
138.06410	0.8
139.03928	1.6
144.08151	0.7
145.10139	0.8
146.09698	1.8
149.09622	1.4
151.07635	1.4
153.01869	1.9
157.10208	1.0
160.11165	0.7
177.05513	0.8
193.12308	2.0
198.03851	0.8
202.15965	1.0
209.11842	0.8
211.13332	1.5
213.21278	0.8
228.17555	1.0
229.14336	1.5
230.15430	2.2
256.17084	0.8
267.16019	2.7
324.27011	2.2
340.26349	4.1
358.27350	0.8
365.20941	0.7
368.25867	17.0
383.22107	0.8
386.26901	12.8
404.28040	5.3
442.29498	5.3
460.30621	34.1
461.30771	1.9
475.27203	0.9
525.31677	0.7
540.33282	2.0
596.36377	2.5
758.41119	100.0
759.41534	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	757.2186
Annotation	Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03943	0.5
53.48188	0.3
55.01872	0.3
55.05499	0.5
57.03443	2.1
60.37756	0.3
61.02922	0.9
62.75278	0.3
69.03419	0.9
69.24292	3.0
69.88820	0.3
70.03705	0.3
70.06558	0.3
71.01356	0.3
71.04996	13.9
73.02930	1.5
75.04458	0.9
76.69850	0.3
81.03380	0.5
83.04987	3.8
85.02907	18.9
87.04431	0.5
91.03947	0.6
95.04956	0.9
97.02899	1.0
99.04462	0.5
104.23535	0.3
109.02883	0.9
111.00782	0.8
111.04457	2.6
113.06032	0.4
121.02855	0.7
121.06503	0.5
127.03896	0.7
129.05478	5.4
137.02332	2.4
139.03926	0.6
141.22163	0.3
142.87012	0.3
145.05002	0.6
147.06519	2.2
147.32870	0.3
153.01839	3.5
153.05458	0.8
157.05051	0.4
162.02518	0.3
163.03876	0.4
163.06082	1.0
165.01891	1.8
171.06546	0.6
173.06001	0.4
183.02913	0.6
187.04031	0.4
193.08609	0.3
201.05452	1.4
229.04950	3.5
239.09137	0.8
247.05981	0.6
257.04535	2.2
274.04706	0.8
285.03864	1.1
303.04993	100.0
304.05295	2.1
310.69510	0.3
315.04926	0.7
345.06024	1.3
369.06091	0.5
376.93518	0.3
381.53369	0.4
413.08661	0.7
449.10883	1.6
465.10443	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01877	4.4
55.05517	16.6
57.03440	7.5
62.02839	2.8
67.05513	35.4
69.03422	3.2
69.07067	16.2
71.04998	4.0
77.03917	4.0
79.05499	49.3
81.03411	6.7
81.07059	35.8
83.04978	7.1
83.08621	7.8
85.02912	4.4
91.05487	38.7
93.07046	56.7
95.04974	8.5
95.08604	49.9
97.02914	5.0
97.06545	3.5
97.10178	3.0
99.04450	5.8
105.07042	44.0
107.04942	8.3
107.08601	34.7
109.06552	4.8
109.10151	10.7
117.07030	16.8
119.08589	38.8
121.06496	6.4
121.10162	23.9
129.06995	6.6
130.07744	3.0
130.08652	3.5
131.08574	13.7
133.10123	26.8
135.08098	5.3
135.11694	50.4
143.08575	6.2
145.10135	33.3
147.11694	27.6
149.09659	3.2
149.13242	6.0
153.01852	3.0
157.10156	7.2
159.11737	8.4
161.13269	17.8
163.11188	51.4
163.14763	3.5
171.11696	8.3
173.13295	5.7
175.14870	6.4
181.12233	8.3
184.07413	4.3
185.13264	6.2
187.14944	3.0
199.14859	3.6
227.10556	3.7
227.12807	75.7
241.19534	23.2
259.20599	54.6
260.32391	2.7
275.20108	6.0
283.15399	67.1
284.15900	2.9
315.23132	7.9
333.24258	100.0
333.28290	6.1
334.24756	3.4
541.35291	44.6
559.35974	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	756.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48576	0.9
55.01877	3.5
55.05514	16.9
55.58880	1.1
57.03447	7.8
59.04996	0.9
61.02946	1.0
67.05177	1.6
67.05509	19.5
69.03438	3.6
69.07063	4.6
70.95613	2.0
71.04992	2.6
73.50127	0.9
79.05495	24.0
81.03423	45.2
81.07061	19.0
83.04988	5.3
83.08629	14.2
85.06542	1.5
91.05488	15.8
93.07051	14.9
95.04984	18.6
95.08609	7.9
97.02896	1.9
97.06528	2.3
97.10178	14.7
105.07047	11.5
107.04955	11.3
107.08598	11.7
109.06538	7.7
109.10175	6.5
111.04454	1.4
111.08093	4.9
117.07036	6.4
119.04972	1.3
119.08601	9.3
121.06512	12.8
121.10159	9.1
123.04431	1.1
123.08080	5.7
125.09643	12.9
126.71237	0.9
129.07037	8.3
131.04884	2.4
131.08580	10.8
133.06490	4.2
133.10147	6.5
135.08067	5.5
135.11743	1.7
137.09628	1.5
139.07509	1.2
141.07060	1.0
143.08615	2.5
145.06468	6.4
145.10146	4.2
147.04410	2.0
147.08043	5.4
147.11685	4.2
149.09666	5.1
153.01817	4.2
153.09088	2.7
155.08553	1.4
157.10170	7.1
159.11743	2.7
161.06032	2.0
161.09676	1.5
163.11205	2.7
165.12802	1.9
167.08557	1.6
169.10204	1.2
171.08044	2.6
171.10127	1.9
171.11710	1.2
173.09673	1.6
175.11165	6.8
185.09659	1.3
187.14851	1.6
189.11235	6.9
189.12732	2.0
193.12257	15.6
195.11729	1.3
199.11252	1.4
205.12248	1.6
205.15891	1.4
209.13383	1.1
213.12848	1.4
215.14253	2.4
219.13780	3.1
223.13176	2.2
227.12598	1.4
231.13791	1.3
233.15482	5.1
237.12723	1.6
237.14830	1.2
239.14183	1.3
243.13765	1.0
245.15536	1.0
249.12732	1.0
249.14984	1.7
255.13905	1.8
259.13193	1.3
267.13037	1.9
267.15927	38.7
273.14700	6.3
293.17490	1.8
310.59583	1.1
321.22232	1.2
339.23380	2.4
349.21637	3.8
357.24377	1.7
367.22726	17.3
385.23795	21.6
386.24380	1.2
403.24738	8.4
405.24155	1.2
441.26260	10.0
444.11813	1.2
459.27457	100.0
460.27637	4.4
477.28510	89.9
478.28830	4.3
491.30020	12.7
501.28607	2.5
509.31082	6.0
541.34119	1.7
567.29987	1.3
605.80640	1.0
756.39484	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.0
55.01865	9.0
55.05263	3.1
55.05514	33.6
55.28263	2.1
57.03446	21.4
57.07055	4.4
61.02921	5.2
61.41339	2.3
65.03930	8.8
67.05510	93.7
67.79172	2.4
69.03080	2.9
69.03428	23.0
69.06792	2.2
69.07080	28.0
69.26991	21.6
71.01340	2.8
71.04988	5.3
73.02913	7.2
77.03896	2.8
79.05500	98.7
81.03417	27.0
81.07063	100.0
83.04977	10.8
83.08620	14.3
85.02911	13.3
85.06550	3.7
91.05489	85.9
93.07050	97.5
95.04973	18.9
95.08618	68.5
95.09155	1.4
97.02908	14.8
97.06519	5.9
97.10174	7.9
99.04470	4.4
103.03924	5.1
103.05490	4.0
105.04549	3.7
105.07040	77.9
107.04968	15.6
107.08601	55.4
109.02869	8.5
109.06525	8.7
109.10176	24.2
110.77853	2.5
111.04446	5.8
111.08066	7.1
115.05457	8.2
117.06348	2.9
117.07037	33.2
119.08588	54.6
121.06513	10.5
121.10146	38.8
123.04480	3.4
123.08061	6.8
123.11730	8.6
127.03932	4.7
128.06238	11.0
129.05467	4.5
129.07010	25.1
130.07780	3.9
131.08578	58.3
132.08966	3.4
133.06500	5.1
133.10133	37.9
135.08060	8.4
135.11732	19.8
136.55939	2.5
137.09596	6.2
141.06990	10.4
141.09019	2.2
142.07753	7.0
143.08577	31.7
144.09337	2.9
145.06490	12.5
145.10130	42.6
147.08041	7.7
147.11693	27.4
149.09624	8.4
149.13261	8.1
153.07002	3.7
154.07779	5.1
155.08566	20.3
156.09361	3.8
157.06485	5.2
157.10152	25.7
159.08049	8.4
159.11710	28.2
161.09639	9.2
161.13254	17.7
163.11240	4.2
163.14799	4.1
165.06978	8.1
167.08624	11.0
169.06554	3.1
169.10083	15.8
171.08055	5.0
171.11688	21.5
173.09624	4.7
173.13263	18.2
175.11221	6.4
175.14874	5.3
177.12784	4.1
179.08664	4.8
179.14326	2.5
181.10129	7.5
183.08072	6.2
183.11722	13.1
184.07329	5.0
185.09663	7.8
185.13263	18.9
187.11206	7.5
187.14830	7.2
189.12741	3.0
193.10086	8.0
193.11829	2.3
195.11697	9.5
196.12479	3.0
197.09613	6.1
197.13251	9.0
199.11174	7.1
199.14806	8.1
201.12695	5.6
201.16504	4.1
206.10747	3.0
207.11792	3.6
209.09628	2.9
209.13399	5.4
211.11249	4.9
211.14755	3.6
213.12715	5.1
213.16539	2.8
215.14256	3.8
217.15800	2.7
221.13286	2.9
223.14801	6.3
225.12836	3.7
227.14261	4.1
229.15984	3.1
235.14868	3.2
237.12735	4.3
239.14201	2.7
241.19482	4.7
253.19348	2.6
257.19086	7.9
259.20511	11.2
261.22119	7.5
265.15738	2.7
271.20551	4.5
273.22104	4.0
275.20084	5.6
277.21701	3.3
283.20584	4.6
285.22067	3.4
295.20584	4.7
297.21948	3.3
299.19855	2.4
301.21585	5.8
301.62393	2.4
311.20178	3.2
313.21555	8.5
315.23264	5.5
325.21573	9.1
331.20346	3.3
333.24222	5.1
335.25864	49.3
337.21472	3.2
339.23190	8.4
343.22604	4.9
349.21692	10.4
349.69315	2.6
351.22821	3.4
357.24335	4.4
367.22757	28.1
375.25195	3.0
385.23618	17.0
399.25879	2.5
403.24658	6.6
441.26273	9.0
443.10263	2.4
459.27170	10.1
477.28232	9.2
530.78290	2.4
593.45355	5.9
609.44989	3.9
621.45178	3.9
635.46417	6.8
647.46564	4.3
665.48187	3.7
677.47345	7.4
689.47809	6.6
701.47968	13.9
719.49194	15.0
737.49432	13.4
755.51074	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.8
55.05515	21.8
57.03428	10.2
64.57799	3.7
65.03942	5.1
67.05506	77.2
69.07080	20.8
69.14635	12.1
69.15044	29.0
79.05074	5.9
79.05499	81.4
81.03407	12.7
81.06658	5.3
81.07065	60.0
83.04984	12.9
83.08628	10.5
85.06547	5.2
91.05491	95.2
93.07049	88.3
95.04964	16.7
95.08613	44.3
97.06509	7.7
97.10146	4.3
98.21368	14.8
103.05492	4.2
105.07038	100.0
107.04937	11.4
107.08589	36.5
109.06512	6.7
109.10152	14.2
117.07014	26.3
117.68147	3.6
119.08589	61.5
121.06516	7.3
121.10145	21.2
123.08083	4.6
128.06209	6.0
129.07002	21.6
131.08592	19.9
133.10136	43.4
135.11681	17.1
143.08533	21.2
145.10129	31.6
147.11688	53.5
149.13237	9.0
155.08479	6.1
157.10092	12.7
159.11681	19.1
161.09703	5.3
161.13245	34.1
169.10164	5.3
171.11685	30.8
173.13246	13.5
175.14835	15.0
177.12732	4.0
185.13297	10.8
187.14714	5.4
189.12772	5.3
199.14880	9.1
205.12209	5.6
207.13753	14.3
230.55472	3.7
231.20917	5.7
241.19603	28.6
243.20587	3.5
259.20590	60.2
279.15970	18.3
281.17484	71.8
283.18997	4.7
299.45999	3.5
315.23239	7.7
333.24191	27.7
447.32376	7.3
465.33594	5.2
539.37299	57.1
540.37592	4.5
557.38361	29.5
651.95917	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	755.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.8
54.15938	2.2
54.52856	2.4
55.01872	11.9
55.05514	42.4
57.03443	13.3
57.07059	6.7
60.08149	3.8
61.02934	3.5
65.03938	5.1
67.05510	100.0
69.03434	16.6
69.07077	31.5
69.77848	12.1
70.13546	2.6
71.01340	2.6
71.04987	5.2
71.08628	4.3
73.02904	5.3
76.84120	2.0
77.03918	2.7
79.05499	86.9
81.03434	14.7
81.07063	90.2
81.99915	2.1
83.04990	11.9
83.08622	13.4
85.02908	14.7
85.06557	3.2
86.09704	17.8
91.05486	89.6
93.07050	93.2
93.07639	5.1
95.04980	18.8
95.08614	69.5
97.02890	12.3
97.06541	7.2
97.10169	6.2
99.04478	3.6
99.08101	2.3
103.03968	2.3
103.05441	4.0
105.04530	5.0
105.07040	68.1
107.04972	13.6
107.08606	50.1
109.02875	9.1
109.06522	8.1
109.10146	21.3
110.83192	2.3
111.04444	4.4
111.08074	5.4
113.00026	4.2
115.03959	2.3
115.05443	7.5
117.07034	39.3
119.08590	44.6
121.06492	6.9
121.10160	36.0
123.08064	6.4
123.11743	5.0
124.08356	2.3
124.99992	14.0
125.09617	4.2
127.03909	6.6
128.06200	7.7
129.07022	24.2
130.07779	4.2
131.08585	50.2
133.06491	5.9
133.09233	3.4
133.10144	33.0
134.43625	2.1
135.08046	7.4
135.11691	15.7
137.05946	2.5
137.09610	3.3
137.13191	2.4
141.06978	7.8
142.07767	7.0
143.08566	33.9
145.06480	7.6
145.10136	38.7
147.08028	5.5
147.11688	26.9
149.09628	6.3
149.13249	7.6
151.07495	2.7
153.07004	6.4
154.07750	4.2
155.08548	20.6
157.06487	4.6
157.10136	24.0
159.08087	12.7
159.11702	27.6
161.09625	7.9
161.13292	14.6
162.20320	2.1
163.11186	4.1
163.14842	3.9
165.06949	3.6
167.08521	10.0
168.09396	3.4
169.10120	16.4
171.08093	7.0
171.11668	21.4
173.09618	6.6
173.13297	20.6
175.11185	5.3
175.14821	5.3
177.12640	3.8
179.08531	5.0
179.14317	4.2
180.09232	2.2
181.10126	11.7
183.08055	3.3
183.11726	16.3
184.07361	53.4
185.09624	9.9
185.13232	12.6
187.11214	5.8
187.14838	4.5
189.09074	2.1
189.12715	5.0
194.10905	3.0
195.08069	3.1
195.11621	10.6
197.09682	6.2
197.13243	11.0
199.11154	6.3
199.14832	6.6
201.12732	4.0
203.14423	3.4
207.11781	4.2
207.13695	2.9
209.09666	4.2
209.13223	7.5
211.11197	5.9
211.14777	5.3
213.12828	4.5
213.16258	2.8
215.14233	2.4
219.11795	5.0
221.13248	4.0
223.14766	4.3
225.12793	3.6
227.14369	3.9
233.13152	3.0
239.14236	4.8
239.17839	3.2
241.12181	2.9
241.19518	6.2
249.16588	2.6
255.21127	3.0
257.19000	7.3
259.20499	14.1
261.22186	8.0
269.18839	3.7
271.20618	5.0
273.22018	4.5
275.20193	3.6
277.21762	4.7
283.20639	5.0
285.22177	3.7
289.21674	5.3
293.21085	3.5
297.22174	2.2
299.20020	3.6
301.21786	11.2
306.27777	3.0
308.29471	5.4
313.21652	8.2
315.23111	4.9
319.34338	2.5
321.22226	5.5
325.21658	9.0
331.26218	3.1
333.24304	5.5
335.25851	47.9
335.29874	3.1
336.26254	2.4
337.21500	4.1
339.23184	7.2
343.23053	4.6
349.21359	11.7
355.22681	3.6
357.24182	5.0
363.25073	4.1
367.22653	27.3
369.24475	2.9
373.23685	3.3
385.23706	15.2
387.24762	3.1
393.80136	2.3
403.24814	11.2
441.26379	8.9
459.27576	11.0
477.28311	9.1
593.45477	3.9
609.44238	3.6
623.46240	2.7
635.46545	6.4
643.44727	3.5
647.46716	3.7
677.47699	6.2
689.47314	4.4
701.47711	14.1
719.49091	15.5
737.37769	2.4
737.49963	17.9
755.51025	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1303
Annotation	Loropetalin D
Peak:m/z	Relative Intensity
53.00314	0.2
53.03945	0.2
53.69316	0.1
55.01876	0.3
57.03424	0.1
64.63064	0.1
67.05500	0.2
68.99798	0.2
69.03445	0.7
69.07065	0.1
69.21053	0.1
70.06579	0.1
70.23573	0.1
71.51499	0.1
79.01855	4.9
79.05487	0.2
81.03417	1.2
81.07060	0.2
82.74004	0.1
83.01373	0.1
84.08120	0.1
85.02924	0.3
85.06569	0.1
87.00842	0.2
91.05496	0.2
91.35682	0.1
93.07035	0.2
95.04943	0.2
97.02896	1.6
99.04455	0.2
103.05490	0.1
105.07060	0.2
107.01326	1.5
107.04969	0.2
107.08614	0.1
109.02892	1.3
109.10178	0.2
111.00817	0.1
121.02858	0.6
121.06573	0.1
123.00790	0.2
125.02353	2.7
127.03922	1.2
128.07117	0.1
131.04924	0.2
133.02931	0.1
137.02348	0.3
139.03957	0.2
143.03403	5.8
143.08574	0.1
147.04439	0.2
153.01837	100.0
153.02881	5.9
154.02165	0.9
157.06482	0.2
159.04436	0.3
165.01857	0.4
171.02899	1.8
171.04276	0.1
177.05460	0.2
181.01364	0.3
183.02888	0.2
187.03909	0.1
191.03435	0.1
205.04964	0.4
207.02834	0.1
213.05481	0.3
215.03450	0.2
217.05032	0.2
229.04904	0.1
231.06563	0.2
233.04402	0.7
237.03990	0.3
243.02853	0.1
257.04431	0.1
258.05206	0.3
261.03989	0.6
266.70178	0.1
269.04355	0.1
279.05014	0.4
287.05511	18.0
288.05844	0.4
297.06058	3.1
329.06528	0.2
437.52426	0.1
449.07242	0.2
467.08328	1.1
578.64722	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.8
54.21288	2.4
55.01882	14.0
55.05516	12.2
57.03423	3.0
67.05504	26.7
69.07070	24.0
79.05488	33.1
79.15240	3.0
81.03418	5.2
81.07056	40.4
83.04971	8.7
83.08609	7.0
85.02869	2.3
91.05489	41.5
93.07050	31.3
95.04974	14.2
95.08618	28.7
97.06541	33.8
105.07030	42.3
107.04966	13.1
107.08594	15.9
109.06477	4.6
109.10149	8.3
117.07012	9.7
119.08592	26.7
121.06498	3.1
121.10148	6.1
123.08120	5.2
129.06985	6.5
131.08591	13.4
133.10115	23.9
135.08060	3.2
135.11739	6.6
143.08578	2.9
145.06482	3.3
145.10130	12.4
147.11708	17.6
149.09598	8.9
159.11664	6.7
161.13245	5.0
163.11172	4.8
171.11705	10.9
173.13268	2.8
179.14268	7.1
187.11253	2.9
189.12775	5.0
207.13858	6.2
210.01535	2.7
257.18930	5.4
275.17328	3.9
275.20084	53.9
281.14627	4.6
281.17490	43.9
293.20987	4.5
299.25912	2.5
348.57315	2.5
349.23834	24.1
441.16522	2.9
442.37540	2.8
527.36987	2.7
537.36249	4.2
555.36829	100.0
556.36932	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	753.13
Annotation	Loropetalin D
Peak:m/z	Relative Intensity
53.00315	0.2
53.13358	0.1
55.01871	0.2
55.05505	0.4
57.03442	0.1
65.03942	0.2
67.05510	0.6
68.99799	0.2
69.03437	0.8
69.23405	1.2
72.61324	0.1
79.01859	3.7
80.74632	0.1
81.03379	0.1
83.04986	2.5
85.02905	0.5
87.00841	0.2
91.05503	0.3
95.04968	0.2
97.02895	0.7
98.21535	0.3
107.01333	0.8
111.04443	4.3
119.05000	0.3
121.02889	0.1
123.00790	0.2
125.02356	2.4
129.05486	0.6
133.02869	0.3
133.06432	0.2
137.02328	0.8
139.03891	0.2
143.03404	5.0
145.06479	0.5
145.75566	0.1
147.04460	0.3
151.03920	0.6
153.01837	100.0
153.02864	5.0
154.02170	1.0
161.05969	0.3
163.03871	0.5
165.01958	0.2
165.05486	0.1
171.04388	0.2
173.05974	1.1
175.03844	0.3
179.03413	2.1
179.06975	0.2
181.01334	1.8
189.05463	0.4
191.03423	0.6
191.07053	0.5
193.04965	0.3
195.02878	0.4
201.05446	1.6
203.03377	0.2
207.02904	7.4
208.03238	0.1
209.04451	0.5
217.04932	0.6
219.03111	0.2
219.06526	5.0
221.04454	1.8
223.02364	1.5
235.06064	0.9
237.03958	1.0
245.04486	0.9
251.05530	0.4
263.05527	2.6
271.39316	0.1
281.06573	13.3
282.06857	0.2
303.05048	1.3
305.03012	0.1
315.05072	1.6
327.05081	0.6
331.04654	0.2
341.06628	0.7
342.06552	0.2
345.05939	0.5
367.08276	0.2
369.06006	1.7
395.07632	0.5
413.08655	0.9
431.09686	0.4
449.10852	0.2
451.08813	0.2
583.10413	0.7
601.11530	0.4
623.25409	0.1
682.51263	0.2
753.13141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01871	3.8
55.05507	18.3
57.03430	12.7
57.07082	54.4
57.60575	2.8
61.02932	5.3
65.03962	3.2
67.05180	4.3
67.05511	57.6
69.03430	4.6
69.07079	21.8
71.04994	4.6
71.08640	38.4
71.51627	4.4
79.05496	40.1
81.03429	5.8
81.07065	57.6
83.04993	3.1
83.08617	18.6
83.50942	2.5
84.68102	3.1
85.02934	6.7
85.06551	3.8
85.10185	20.3
87.04498	4.8
88.07653	4.6
91.05491	58.9
93.07056	54.2
95.04994	6.7
95.08611	55.8
97.02888	4.3
97.10167	10.5
101.99863	2.5
105.07041	66.8
107.05042	3.1
107.08607	31.2
109.06559	5.6
109.10158	23.7
115.05489	2.9
117.07040	16.2
119.08590	52.6
121.06496	3.0
121.10145	21.6
123.08041	3.3
123.11709	7.8
128.06262	3.2
129.07018	12.5
131.08580	28.4
133.10149	43.4
135.11714	16.1
141.07016	4.3
143.08568	14.2
145.10149	29.7
147.11699	43.5
149.13257	9.7
155.08409	5.0
157.10147	16.4
159.11711	23.8
161.13261	34.2
169.10112	4.1
171.08145	3.4
171.11771	14.6
173.13322	13.4
175.14857	14.1
185.13298	12.8
187.14922	4.1
199.14877	6.3
231.21068	9.5
239.23660	3.6
241.19554	34.6
257.18909	3.0
259.20587	95.4
301.21469	5.4
313.27377	100.0
315.23306	5.3
333.24286	44.4
349.21448	3.9
369.56256	2.8
375.25302	3.5
421.25931	3.4
538.11859	2.9
571.47131	8.6
589.48389	31.1
590.47876	4.7
601.47638	3.2
646.17871	2.9
679.48724	6.8
715.50970	5.7
733.51996	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	751.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.1
55.05513	17.2
57.03442	13.5
57.07083	42.4
61.02918	6.3
67.05177	3.4
67.05509	44.7
69.03427	3.9
69.07076	18.2
69.85950	7.0
69.86352	3.8
71.05003	3.3
71.08639	25.5
79.05151	2.5
79.05507	28.4
81.03412	6.9
81.07067	46.1
83.04997	3.7
83.08617	13.9
85.02891	6.3
85.06525	3.7
85.10181	15.3
87.04474	4.8
89.06049	2.8
91.04908	2.3
91.05486	42.8
93.07050	34.0
95.04961	4.5
95.08613	42.4
97.02888	6.8
97.06520	3.3
97.10169	6.2
103.05486	3.4
105.07034	47.1
107.04981	2.5
107.08577	18.2
109.06560	3.2
109.10157	16.6
117.07024	13.5
119.08585	38.3
121.06501	2.1
121.10159	20.0
123.08100	2.7
123.11694	6.8
125.09720	2.4
126.75871	2.5
129.07024	10.6
131.08609	18.0
133.10153	33.5
135.11697	14.1
137.09587	2.5
141.06984	3.1
143.08554	7.6
145.10143	23.4
147.08090	3.2
147.11693	35.3
149.09694	3.0
149.13255	7.2
152.06168	2.2
155.08540	3.3
157.10143	13.5
159.11702	19.9
161.13251	25.3
163.14856	4.1
168.12364	2.1
171.11702	15.1
173.13280	12.1
175.11288	3.7
175.14815	14.1
183.11710	3.6
185.13293	7.1
187.14836	4.9
197.13254	4.6
199.14862	8.7
217.16046	2.7
231.21173	6.2
239.23647	2.4
241.19533	31.1
257.19174	2.7
257.24756	2.2
259.20584	72.4
260.20871	3.6
271.20645	4.6
277.21680	2.8
287.20190	2.4
293.79764	2.1
299.19778	2.4
301.21616	4.6
306.27914	3.3
306.40933	2.1
313.27408	100.0
315.23172	5.0
320.39883	2.2
325.21600	2.4
333.24219	45.2
343.22797	2.3
351.25192	3.1
367.22546	7.2
385.23746	5.4
403.24707	4.3
421.26147	2.8
441.26462	2.6
459.27280	3.0
571.47205	9.3
587.45966	3.6
589.48413	30.9
596.49060	2.6
601.48517	3.8
655.48541	2.8
667.49042	2.9
679.49127	9.8
697.49854	4.4
715.51019	3.4
751.50757	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	748.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.2
57.07079	33.5
59.05006	14.2
67.05492	1.3
69.07063	2.3
71.08637	67.1
71.51368	1.6
73.02914	2.4
73.06563	5.6
77.35348	0.8
81.07062	1.3
85.10187	32.8
86.09704	3.0
87.04474	19.6
89.06039	100.0
91.05470	1.8
91.07567	1.0
95.04973	0.8
95.08604	1.0
97.10204	1.1
103.07579	6.4
105.07056	1.6
107.07069	1.9
113.06027	1.2
117.09166	5.9
124.99999	2.0
127.14835	3.0
130.08667	1.7
131.07076	5.5
133.08614	65.1
136.86043	1.0
155.23869	0.9
159.10199	0.8
161.11708	1.6
175.09642	4.1
177.11241	27.4
184.07352	12.3
185.19037	5.2
219.12366	1.6
221.13846	4.6
229.21658	3.4
265.16388	1.7
283.17523	1.4
309.19229	1.4
316.67584	0.9
327.19928	1.1
353.21710	0.9
528.96234	1.1
547.33069	4.2
748.53967	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	749.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.5
55.05521	45.9
57.03424	21.2
57.07082	38.4
61.02909	9.0
67.05509	87.4
69.03425	20.3
69.07079	61.9
71.04984	10.3
71.08620	29.5
71.51817	6.9
78.56885	5.9
79.05496	65.8
79.22895	5.2
81.03430	43.8
81.07066	100.0
82.07442	5.7
83.04959	11.2
83.08638	42.5
85.02924	17.1
85.10179	11.9
85.13783	6.2
87.04463	7.4
91.05476	66.2
93.07057	68.6
95.04979	12.7
95.08610	79.7
97.02894	17.2
97.06532	10.9
97.10188	14.1
98.98470	8.8
99.04472	6.2
105.07040	77.4
107.04934	10.7
107.08620	40.0
109.02891	17.5
109.10150	26.3
111.08105	7.3
117.07017	30.1
119.08588	52.6
121.06496	8.1
121.10159	35.2
122.90398	6.4
127.03848	8.7
129.06999	14.6
131.08574	42.5
133.10130	41.6
135.07988	9.0
135.11696	26.3
143.08592	16.4
145.10112	31.8
147.11700	41.9
149.09625	7.8
149.13301	16.6
157.10114	14.3
159.11722	27.8
161.13263	30.0
163.11157	11.5
167.08496	5.9
168.57927	6.1
169.10062	8.2
171.11719	16.6
173.13274	13.1
175.11061	7.1
175.14862	9.0
183.11623	8.1
185.13289	9.4
193.84724	6.1
199.14877	7.6
239.17914	8.1
241.19492	26.2
257.19070	22.8
259.20602	71.0
259.23239	9.7
275.20074	41.0
295.93399	6.6
311.25879	78.2
313.27377	46.5
333.24380	30.7
349.23941	9.8
493.28113	7.3
507.40234	11.8
521.08661	6.8
568.08881	6.9
587.46753	94.2
588.47009	8.4
677.47815	8.6
722.43335	7.8
749.52094	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	746.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.8
55.05501	3.1
57.03432	1.6
57.07078	100.0
57.92022	0.9
59.05005	42.6
66.62628	0.7
67.05505	2.0
69.07058	2.6
69.35703	6.4
71.08634	88.3
73.06551	1.8
81.07060	1.7
83.08609	3.2
85.10186	84.3
86.09696	1.7
87.04471	7.5
89.06036	58.4
91.05476	1.3
97.10172	1.9
99.11738	11.1
101.09644	2.4
103.07585	1.1
105.07016	1.0
107.07088	1.2
117.09137	15.2
124.99973	1.1
125.13255	0.9
130.08670	1.8
131.07028	3.2
131.08586	0.9
133.08609	44.2
141.16382	9.8
144.52832	0.8
151.27919	0.7
173.11827	1.2
175.09608	2.6
177.11241	18.0
184.07368	3.9
199.20589	17.8
207.88570	1.0
221.13860	3.1
239.14940	1.0
240.23218	1.6
257.24750	21.6
258.25174	1.1
265.16513	1.2
283.17679	1.0
327.20200	1.3
371.22980	1.2
386.46414	0.9
415.25360	7.6
455.28302	1.3
463.39801	0.9
463.46896	0.9
631.31610	0.9
746.55450	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	747.1559
Annotation	Catechin-(4alpha->8)-epigallocatechin-3-O-gallate
Peak:m/z	Relative Intensity
53.00299	0.5
53.03952	1.6
53.04865	0.5
55.01872	2.4
65.03944	3.3
67.01871	1.2
67.05510	0.9
68.99789	10.2
70.66092	2.0
71.01359	0.6
72.08154	1.1
77.03943	0.8
79.01862	1.4
79.05489	0.7
81.03407	4.5
83.04981	0.9
85.02940	0.7
89.15891	0.6
91.05476	1.3
93.03415	0.9
95.04976	2.5
97.02892	1.1
98.20876	0.6
99.04488	1.2
103.05514	0.7
105.03400	2.6
105.07041	0.7
107.04942	2.0
109.02884	4.5
111.00800	8.3
111.04440	3.3
115.05470	1.4
117.07009	0.8
119.04940	2.2
121.02879	2.9
121.06481	1.1
123.04435	86.9
127.03922	98.4
131.04950	0.8
133.02853	1.3
133.06496	1.1
135.04416	13.6
137.02353	2.4
137.05981	1.3
139.03908	100.0
140.04248	1.2
141.06944	0.7
143.03395	1.0
143.04897	0.9
145.06493	1.1
147.04410	13.5
149.02345	6.8
149.05998	1.7
151.03909	39.4
153.01828	17.4
153.02898	1.3
155.03377	2.6
155.04845	0.7
157.06563	1.2
159.04428	1.9
161.02315	1.0
161.05991	2.8
163.03912	21.5
165.01985	1.0
165.05481	6.7
167.03427	6.5
167.07126	0.8
169.06523	1.1
171.04430	2.0
173.05966	2.6
175.03906	13.5
177.05490	6.5
179.03403	32.0
181.04979	2.3
183.04417	1.3
185.05971	2.6
187.03874	2.8
189.05482	7.7
191.03403	18.8
191.05089	1.2
191.07076	0.7
193.04942	4.7
197.06018	2.1
199.03903	2.8
201.05473	10.1
203.01489	1.2
203.03394	25.2
205.05017	4.4
211.04002	0.9
213.05521	5.7
215.03371	2.2
215.07001	1.7
217.04988	6.1
219.06477	1.3
221.04401	0.8
223.02264	1.5
225.05476	1.8
227.03329	1.4
229.04956	9.2
231.06497	4.9
233.04456	11.0
241.04930	3.4
243.06586	2.2
245.04471	16.4
247.06039	17.9
251.05518	1.5
253.04988	1.6
255.06526	1.7
257.04453	17.7
258.05240	0.9
259.06009	5.8
263.05518	11.4
265.05145	0.8
269.04434	9.7
271.05972	9.3
272.06604	0.7
273.07587	6.6
275.05502	26.6
275.08502	1.4
277.07153	1.0
281.04364	1.2
283.06000	3.5
285.07578	0.8
287.05508	54.2
288.05902	1.2
289.07050	5.6
291.08658	3.3
295.05975	0.7
297.07562	1.3
299.05487	18.1
301.07080	7.0
301.42386	0.6
305.06534	10.3
311.05328	1.4
313.07217	0.7
315.08682	1.9
317.06567	16.6
323.05304	0.9
325.07056	1.2
331.08105	0.8
379.08054	1.9
391.08206	3.8
395.07712	0.8
407.07584	3.6
409.09213	17.2
421.09021	1.9
425.08691	18.8
426.09122	1.0
427.10187	2.6
437.08658	1.4
443.09818	6.3
451.10138	2.3
455.09662	1.6
579.10931	1.7
726.29443	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.5913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.05516	8.3
57.07075	2.2
58.82810	1.1
65.03930	1.8
67.00793	0.9
67.05512	19.9
69.07070	13.6
71.12294	1.9
79.05493	12.7
81.07063	40.1
81.27792	1.0
82.07407	1.6
83.06099	2.3
83.08607	6.1
84.08152	1.6
86.60281	1.1
91.05487	15.1
91.67909	1.0
93.07050	25.7
93.09674	1.1
94.07345	1.5
95.04942	2.0
95.08614	34.6
97.10170	2.9
105.07030	26.0
107.08596	27.6
109.10167	24.6
111.04462	1.7
111.11683	1.4
115.05437	1.5
117.07001	3.6
119.08585	24.6
120.08875	1.2
121.10145	20.3
123.08076	8.5
123.11713	10.4
128.06248	1.6
129.07001	2.5
131.08575	9.8
133.10146	16.3
134.10449	1.1
135.08063	6.1
135.11699	12.3
137.13199	2.2
141.07014	1.1
142.07806	1.8
143.08582	6.1
145.10117	15.9
147.11700	15.3
149.09595	1.3
149.13280	8.2
151.07547	100.0
152.07906	3.2
155.08574	3.7
156.09317	1.6
157.10139	9.9
159.11700	16.7
161.13287	11.7
163.07588	1.4
163.11250	2.8
163.14870	7.2
165.09146	7.3
169.10147	5.5
170.10838	1.3
171.11710	12.4
173.09616	4.1
173.13264	12.5
175.07565	1.6
175.14847	6.3
176.08313	2.5
177.09129	3.8
177.16409	3.5
181.10092	1.6
183.11659	5.2
185.13289	7.2
187.11142	1.5
187.14774	7.7
189.09100	9.8
189.16397	5.5
190.09401	1.2
191.10670	43.4
192.11029	1.2
195.11699	2.3
197.13229	6.1
199.14816	6.9
200.15346	1.7
201.09047	2.0
201.16402	6.4
203.10658	4.8
203.17975	3.5
205.12239	11.2
207.11800	1.5
209.13214	3.8
210.13802	1.3
211.14864	5.3
212.15526	1.5
213.16322	5.0
215.17943	3.8
217.12228	5.5
217.19588	2.3
219.13808	6.5
223.14799	3.5
225.16310	2.4
227.17944	4.2
229.12312	1.7
229.19527	2.3
231.13733	1.3
237.16341	2.3
239.17914	2.6
241.19452	3.6
243.13934	1.9
243.21117	2.7
245.15344	1.3
251.17903	1.0
253.19537	3.1
255.13802	1.6
255.21132	2.8
257.22556	2.1
259.16959	2.2
265.19443	1.1
267.21024	1.5
269.22620	2.6
271.24274	1.6
281.22702	1.4
283.24268	2.0
295.24246	1.5
303.49942	1.1
323.27402	1.5
346.02689	1.1
391.33640	1.8
393.27652	1.4
459.32202	1.4
471.39682	1.6
479.08441	1.0
555.42523	1.9
555.51324	1.1
607.28699	1.3
615.43237	1.6
689.52887	1.6
745.59094	30.7
746.59601	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55790	0.7
55.05513	2.2
57.03459	1.2
57.07080	100.0
59.05008	20.5
67.05518	4.2
69.03447	0.6
69.07090	2.4
69.27783	2.4
69.28209	3.4
71.08637	71.9
73.02930	0.9
73.06583	1.9
79.05511	0.8
81.07071	2.7
82.07431	0.7
83.08627	2.4
85.10187	57.7
86.09733	2.7
86.10487	0.8
87.04471	11.7
87.04972	0.8
89.06036	68.5
90.02538	0.6
93.07076	1.5
95.08646	1.1
97.10191	2.9
99.11742	11.1
99.12334	1.1
101.09698	1.1
109.10188	2.0
113.13284	3.6
117.09122	4.9
122.92580	0.7
125.00053	1.7
130.08716	0.8
131.07021	3.1
133.08612	50.5
147.10229	1.0
155.17952	6.9
175.09760	3.0
177.11243	19.5
184.07379	9.2
213.22136	14.1
213.23984	1.1
219.12292	1.0
221.13948	3.0
223.15514	0.6
239.14941	0.8
251.64764	0.6
254.24911	0.7
263.03259	0.6
265.16544	1.1
271.26349	4.6
327.20355	1.1
337.27219	0.7
389.17456	0.7
415.25787	1.2
459.28241	7.1
474.55872	0.7
491.36588	1.8
499.31049	0.7
549.41028	1.1
569.76050	0.7
746.56232	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	745.5916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.05515	7.2
57.07071	3.6
65.03935	2.5
67.05510	15.8
69.07076	16.4
69.36803	8.9
79.05505	11.4
81.07063	42.5
83.08624	6.0
91.05484	13.4
93.07050	25.8
93.18066	1.2
95.05002	1.3
95.08612	38.4
96.08891	1.1
97.10186	3.1
103.05510	1.5
105.07040	25.5
107.08596	27.9
109.06509	1.6
109.10160	24.4
117.07027	4.3
119.08588	22.3
121.06493	2.1
121.10152	24.0
123.08062	9.9
123.11694	9.5
129.07001	2.5
131.08582	9.7
133.10149	14.3
135.08051	7.3
135.11714	11.9
137.13266	4.2
142.07816	2.4
143.08601	5.5
144.09332	1.7
145.10121	17.7
147.08130	1.0
147.11703	16.7
149.13295	10.4
151.07555	100.0
152.07950	2.0
155.08542	2.5
156.09364	3.4
157.10132	10.2
158.10774	1.6
159.11697	15.6
161.05992	2.0
161.13271	10.4
163.11221	4.8
163.14867	4.7
165.09126	5.7
166.60248	1.1
169.10135	4.5
171.11743	10.5
172.12225	1.3
173.09660	3.8
173.13287	11.6
175.14818	8.5
176.08279	2.1
177.09126	4.1
177.16385	3.2
181.10126	1.7
183.11673	6.2
185.13242	10.0
187.14853	8.2
189.09129	6.2
189.16411	6.0
191.10684	73.6
192.11066	1.7
195.11749	1.8
196.12402	1.1
197.13268	4.2
199.14749	5.9
201.16403	8.4
203.10657	5.6
203.17979	4.6
205.12248	12.5
208.76103	1.2
209.13309	4.5
211.14862	3.6
213.16423	5.2
215.10826	1.6
215.17982	5.1
217.12294	4.7
217.19675	1.7
219.13858	3.3
223.14835	3.0
225.16357	3.6
227.18021	2.9
229.19511	2.5
231.13701	1.7
237.16495	1.6
239.17972	3.7
241.12306	1.7
241.19440	3.1
243.21037	3.0
253.19475	2.8
255.21132	2.4
257.15448	1.7
257.22665	1.6
265.19537	1.6
267.21042	3.0
269.22729	3.7
279.21063	1.3
293.22757	1.7
295.24088	1.7
309.25983	1.4
311.27365	1.4
335.27362	1.7
349.29089	1.5
351.23520	1.2
383.15067	1.1
403.33832	1.5
419.28964	1.4
459.31989	1.3
471.39627	2.3
539.46259	2.1
595.43555	1.4
745.45654	2.4
745.58997	33.6
746.58807	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01899	0.4
55.05513	1.7
55.45358	0.5
57.03450	2.0
57.07067	0.7
61.02932	6.6
67.05179	0.6
67.05511	7.3
69.03439	3.5
69.07082	2.1
71.04993	0.7
71.08640	0.8
71.51401	0.6
73.02934	3.5
79.05514	4.7
81.03431	2.2
81.07063	7.3
81.22673	0.4
82.07437	0.4
82.89874	0.4
83.04984	0.4
83.08630	1.0
85.02917	5.4
86.09710	0.9
86.62019	0.4
87.04458	0.7
87.27756	0.4
91.03957	3.1
91.05488	3.0
93.07061	5.4
95.08618	5.2
97.02901	5.3
99.04472	1.1
101.02404	1.3
103.03925	0.5
105.07066	1.6
107.08594	2.6
109.02893	1.0
109.10159	2.1
117.05523	0.5
117.07027	0.9
119.08629	1.5
121.10162	2.2
125.00071	0.7
127.03927	1.2
131.08580	0.9
133.10149	1.1
135.11703	3.2
145.10172	1.4
147.11633	0.7
163.11230	2.1
171.94426	0.4
174.60225	0.4
184.07385	3.2
185.04169	0.4
227.12849	1.3
243.08507	2.1
244.08853	0.5
249.11015	12.5
249.31718	0.4
262.41940	0.4
305.13800	1.4
335.25934	1.0
336.26294	0.5
359.77536	0.5
467.18964	4.9
504.37726	1.4
519.29352	9.8
519.36938	0.5
520.29706	0.5
548.39862	0.7
583.44025	0.6
745.41376	100.0
746.41626	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01873	2.1
55.05512	15.3
57.03436	9.0
57.07073	2.7
57.68707	1.3
59.05000	1.8
61.02923	4.2
65.03938	4.8
67.05509	100.0
68.05825	1.7
69.03435	2.5
69.07071	13.8
71.04997	18.4
77.03883	1.2
79.05499	35.7
81.03413	3.0
81.07063	44.0
83.04985	3.7
83.08618	7.9
85.02906	4.0
85.06554	2.5
87.04466	1.3
91.03956	1.5
91.05490	27.3
93.07053	44.0
93.07640	2.1
95.04966	4.4
95.08613	29.3
97.02879	2.9
97.06524	4.9
97.10182	1.9
99.08104	1.6
105.04516	1.9
105.07048	11.5
107.04980	1.6
107.08603	20.2
109.06525	3.1
109.10165	62.2
111.08073	3.2
117.07043	4.8
119.08583	18.1
121.10163	14.4
123.08123	1.2
123.11710	2.0
131.08568	8.7
133.10138	7.6
135.11705	13.9
137.09613	8.7
145.10138	7.8
147.11725	3.4
149.13263	3.0
155.10680	2.7
159.11702	3.8
161.13193	1.9
163.11220	2.6
169.12245	1.2
173.11742	5.0
173.13245	2.4
175.14824	1.2
187.14853	1.8
208.39568	1.0
213.14836	1.4
243.15834	1.3
255.16006	3.7
261.22192	2.2
285.16998	2.3
287.18533	13.9
335.25809	24.5
336.26154	1.7
397.31302	1.2
471.34793	3.2
489.35797	85.7
490.35959	3.6
503.37650	3.5
515.37311	10.7
547.39984	68.0
548.40302	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	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.01868	2.6
55.05512	20.0
57.03442	17.8
57.07063	4.6
61.02932	7.9
65.03924	4.9
67.05508	71.8
69.03416	6.3
69.07069	21.7
71.04981	5.2
73.02928	2.8
79.05496	50.0
81.03400	6.7
81.07058	75.8
83.04993	8.2
83.08641	9.4
85.02879	6.4
85.06525	5.3
87.04457	1.7
91.03934	2.1
91.05490	43.6
93.07048	56.2
95.04978	17.5
95.08611	47.0
97.02906	4.0
97.06538	8.2
97.10146	2.8
98.20700	2.9
99.08079	2.8
105.04519	2.5
105.07030	34.6
107.04948	3.4
107.08601	29.0
109.06528	7.8
109.10144	19.8
111.08064	3.4
113.05954	3.0
116.07051	1.5
117.07009	8.6
119.08592	25.1
119.76583	1.5
121.09456	1.7
121.10159	19.4
123.08034	2.0
123.11686	7.2
125.09641	2.0
129.07031	7.5
131.08554	16.3
133.09271	1.9
133.10153	20.4
135.08063	4.1
135.11702	18.5
137.09608	3.4
137.13255	2.1
142.07784	2.3
143.08598	2.2
145.10085	10.1
147.11673	15.1
149.09624	3.1
149.13242	6.5
151.11180	4.9
153.12715	1.5
157.10123	9.0
159.11687	6.2
161.13171	3.8
163.11136	3.5
163.14789	2.4
165.12775	3.9
173.13292	4.2
175.11166	6.7
175.14809	2.2
181.10121	1.7
181.12225	2.0
183.11783	1.9
184.07338	5.4
193.12254	7.9
199.14842	2.1
207.33655	1.6
211.13300	5.8
227.12758	5.8
243.21126	3.8
261.22229	15.7
267.15961	8.8
277.21738	2.4
283.15399	6.2
285.16968	75.0
286.17496	1.7
317.24854	2.8
335.25812	100.0
336.26175	2.5
337.27283	7.4
453.33444	3.3
503.36908	1.9
527.37457	8.7
545.38342	52.6
546.38281	4.9
563.39142	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.01865	1.7
55.05513	12.9
57.03205	0.8
57.03442	10.8
57.07081	1.6
59.04984	1.2
60.16499	0.8
61.02916	2.1
65.03930	2.1
67.05506	35.1
69.03425	2.0
69.07072	8.4
71.04977	3.2
73.02868	1.0
79.05496	26.3
81.03424	33.0
81.07062	34.1
81.46336	0.8
83.04990	8.0
83.08145	1.4
83.08618	16.3
85.02903	13.9
85.06528	2.1
91.05483	21.8
93.07050	28.3
95.04971	12.0
95.08611	24.1
97.02888	2.1
97.06520	2.7
97.10155	3.0
99.08094	1.1
100.81834	0.8
105.04530	1.0
105.06397	1.2
105.07043	14.7
107.04932	2.5
107.08601	14.5
109.06506	2.2
109.10156	8.2
111.04466	1.3
111.08075	4.9
113.06016	1.3
115.05463	1.3
117.06999	2.8
119.08590	12.2
121.06516	1.6
121.10142	14.3
123.08047	1.6
123.11684	3.5
125.09660	1.2
129.07001	5.4
131.08578	8.3
133.06491	1.6
133.10149	8.8
135.11693	7.6
137.09662	1.0
137.13226	0.9
142.07796	1.4
145.10139	4.4
147.08098	1.7
147.11714	8.7
149.09596	3.1
149.13251	3.2
157.10115	5.9
159.11665	1.5
161.13252	2.2
163.14816	1.5
165.12741	1.1
171.71442	0.8
173.13243	1.7
174.61053	0.8
175.11194	7.2
175.14842	0.9
193.10468	1.1
193.12259	22.1
211.13292	32.2
211.15308	1.7
227.12738	1.2
243.21028	2.0
261.22198	6.2
267.15930	7.3
283.15311	1.5
284.15753	1.0
285.16965	36.3
286.17371	1.5
317.24738	1.6
335.25812	61.7
336.26160	3.3
337.26529	1.1
413.54153	1.1
453.33496	1.1
517.53937	0.8
522.04297	0.9
527.37402	7.0
545.38373	100.0
546.38922	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	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
53.29062	1.1
55.01868	2.6
55.05276	1.3
55.05516	22.8
57.03445	11.3
57.07069	1.4
57.54498	1.1
59.04997	1.3
61.02906	3.2
61.75995	1.2
64.61388	1.2
65.03933	2.5
67.05510	53.1
69.03410	4.6
69.06796	1.4
69.07078	13.7
69.87826	1.2
70.10503	5.8
71.04982	4.4
77.03445	1.1
79.05498	41.4
80.05825	1.4
81.02938	1.2
81.03423	44.1
81.07060	52.1
83.04992	12.0
83.08630	17.7
85.02911	16.5
85.06541	3.0
86.09744	1.6
91.03947	1.6
91.05486	33.7
93.07045	36.0
95.04971	23.1
95.08608	31.9
97.02900	4.6
97.06520	5.4
97.10142	4.2
105.04514	1.7
105.06401	2.0
105.07041	23.4
107.04961	4.2
107.08601	17.2
109.06507	3.5
109.10175	13.8
109.99179	1.3
111.04390	1.9
111.08080	7.0
117.07010	5.0
119.08592	19.0
121.06507	3.1
121.10150	18.7
123.08039	3.0
123.11686	3.8
125.09639	2.2
129.07013	6.6
131.08598	13.4
133.06512	3.4
133.10135	11.9
135.11699	7.5
141.67769	1.2
142.07690	1.8
145.10126	5.3
147.08081	2.3
147.11707	14.9
149.09612	5.5
149.13258	3.3
156.08580	1.5
157.10126	10.0
159.11678	3.1
161.13188	2.4
163.11104	1.7
165.12767	5.4
171.11890	1.3
173.13203	2.6
175.11215	10.1
178.82451	1.3
184.07443	2.0
193.12257	28.3
211.13293	47.4
227.12804	2.9
243.21141	1.8
261.22159	8.1
261.24472	1.3
267.15912	16.3
274.17142	1.2
285.16980	49.9
317.24835	1.8
320.78952	1.5
335.25806	60.0
336.25986	3.0
471.34784	1.8
527.37335	6.9
545.38379	100.0
546.38721	6.2
600.45465	1.5
742.45337	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.05266	1.5
55.05513	18.9
57.03441	14.8
57.07065	3.0
61.02933	3.4
65.03946	3.8
67.05508	60.7
69.03442	1.8
69.07071	21.4
69.07427	2.1
69.17130	2.0
69.17532	9.8
70.78082	1.0
71.04993	3.9
73.02924	1.3
74.21740	1.0
77.03909	1.0
78.18207	1.2
78.60268	1.0
79.05492	39.5
81.03441	2.8
81.07058	100.0
83.04970	6.0
83.08616	11.3
85.02912	3.3
85.06559	5.7
91.03955	1.1
91.05482	34.7
93.07048	39.9
95.04989	5.1
95.08611	45.0
97.06528	8.0
97.10176	2.0
99.08105	3.4
101.06016	1.3
105.03362	1.3
105.07035	43.8
107.08598	23.6
109.06528	5.0
109.10163	14.0
111.08128	1.6
117.07053	4.0
119.07806	1.9
119.08596	28.0
121.06492	1.7
121.10146	29.0
121.11047	1.5
123.08082	4.4
123.11718	29.4
125.07113	1.2
127.07585	2.4
129.07005	1.8
131.08574	10.1
133.10130	10.8
135.11693	10.4
137.09651	1.6
137.13289	2.7
145.10126	4.6
147.11690	58.7
149.13292	5.2
151.11276	1.3
157.10086	3.1
159.11723	3.5
161.13274	3.8
163.14774	2.7
165.12772	20.6
173.13226	2.6
175.11224	3.8
175.14929	1.7
183.13783	2.5
184.07382	2.9
187.14752	1.7
193.12326	2.5
201.16435	1.2
211.13481	1.1
229.14282	4.0
243.21181	5.2
261.22168	16.8
267.15933	55.6
267.87262	1.2
268.16193	1.3
279.23209	2.3
285.16965	69.1
317.24850	2.3
335.25803	68.5
336.26334	1.6
471.34836	1.4
527.37354	5.4
545.38391	45.5
546.38843	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	742.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01474	1.5
55.01868	5.4
55.05315	1.3
55.05511	16.7
57.03434	10.3
59.04992	1.8
61.02921	1.4
65.03928	2.2
67.05184	1.6
67.05511	26.3
69.03429	6.1
69.07064	10.5
70.06591	4.6
71.04986	6.2
72.08131	1.5
79.05499	24.4
81.03425	56.3
81.07062	24.1
83.04987	10.3
83.08624	17.9
85.02898	4.9
85.06546	2.8
86.09700	1.7
91.05489	20.6
93.07046	22.1
95.04971	23.5
95.08622	11.5
97.02892	3.8
97.06510	3.9
97.10162	16.0
105.07047	16.3
107.04970	19.2
107.08599	15.7
109.02874	3.4
109.06536	16.6
109.10149	9.4
111.04449	2.7
111.08082	3.8
117.07012	6.2
119.04918	1.5
119.08601	11.7
121.06516	17.8
121.10152	12.5
123.04439	2.2
123.08076	5.6
123.11684	2.1
125.09622	13.2
127.03941	2.1
129.07024	9.0
131.04938	2.3
131.08580	13.7
133.06506	6.8
133.10127	9.5
135.08052	7.1
135.11713	3.3
137.05991	3.2
137.09639	2.0
139.03914	3.4
139.11185	2.7
142.07745	1.9
143.03419	2.1
143.08560	3.8
145.06470	9.3
145.10115	6.6
147.04442	2.1
147.08049	5.2
147.11694	6.1
149.09605	5.8
151.07596	2.2
151.11171	1.6
153.01843	28.8
153.03011	2.9
153.09135	2.2
154.02170	5.8
155.08539	2.3
157.10112	9.7
159.08035	2.6
161.05989	2.4
161.09625	4.1
163.07495	2.4
163.11174	3.1
165.12814	1.6
169.10085	1.8
171.08118	2.4
171.11694	3.1
173.09634	2.6
173.13255	4.2
175.11209	6.9
177.05495	2.6
177.12781	1.5
187.11217	1.7
189.11226	6.3
189.12735	3.0
191.14380	4.2
193.12274	17.4
195.11678	1.9
197.13316	1.6
199.11227	2.0
201.12645	1.7
203.14301	1.7
205.12259	2.1
213.12720	1.9
215.14151	2.4
215.65306	1.3
219.13802	12.4
227.12646	2.6
231.13727	2.0
233.15433	3.6
235.13287	1.8
255.13692	2.0
257.04514	7.6
259.15414	6.6
267.15945	39.5
268.16370	1.9
273.14728	7.0
285.03702	1.9
286.04684	5.4
287.05423	2.8
293.17450	7.7
349.21469	3.2
367.22684	14.5
385.23785	22.7
403.24890	7.1
441.26224	4.9
451.26761	5.3
453.70889	1.6
459.27444	100.0
460.27682	4.6
477.12256	3.5
477.28528	84.4
478.28583	3.8
491.30185	7.7
494.31808	6.8
495.12842	17.9
495.29431	7.5
501.28906	2.1
509.31030	3.3
565.54120	1.6
742.39838	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	742.4162
Annotation	CHEBI:67317
Peak:m/z	Relative Intensity
53.03747	0.5
53.03952	4.6
55.05509	0.7
57.03426	0.9
61.02937	2.8
65.07928	0.6
67.05497	1.7
69.03418	1.6
69.45233	0.9
69.45641	3.2
70.06578	0.5
73.02928	2.7
77.03930	1.1
79.05476	0.9
81.03407	2.2
81.07053	1.4
85.02928	2.6
85.03360	0.6
91.03957	1.3
91.05488	15.6
93.07051	19.6
95.04979	5.2
95.08629	0.8
97.02881	2.0
103.05475	15.5
105.04515	2.0
107.07340	0.6
109.06535	0.6
109.10153	1.0
118.06543	2.0
120.08078	0.6
121.06512	76.2
123.11777	0.6
127.03880	0.5
130.06522	0.8
132.08118	1.6
137.05963	0.6
144.08119	0.9
146.09636	1.0
156.70790	0.6
225.77118	0.6
228.17490	0.8
229.14491	1.2
267.15982	0.7
324.26901	2.7
340.26303	4.2
340.61420	0.6
358.27408	0.6
368.25879	16.6
369.26743	0.6
383.24338	0.6
386.26907	12.9
386.31830	0.6
404.27951	4.6
442.29498	5.6
459.27533	1.3
460.30618	37.2
461.31213	1.5
476.31284	0.8
494.32422	0.8
524.33569	1.3
580.36542	1.5
742.41644	100.0
743.41986	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.2
55.01881	12.1
55.05516	27.2
57.03443	19.9
59.04990	3.4
61.02924	20.0
62.53318	2.1
65.03944	2.4
67.05508	86.0
69.03428	9.4
69.05681	1.8
69.07071	52.7
71.01382	2.7
71.04990	7.4
71.51514	1.9
73.02905	9.3
75.13212	2.5
75.60949	2.0
79.05496	40.3
79.48692	1.9
81.03430	22.2
81.07062	69.2
83.04981	10.1
83.08610	13.7
85.02903	23.6
85.06535	6.3
91.03966	15.0
91.05484	53.2
93.07047	55.0
95.04992	14.6
95.08617	41.5
97.02887	14.7
97.06535	19.6
97.10160	9.0
99.08082	3.9
103.03938	4.5
103.05459	8.0
105.07034	35.9
107.04963	11.5
107.08604	26.4
109.06543	4.9
109.10162	48.4
111.04424	3.4
111.08120	10.7
117.07025	14.9
119.08575	29.3
121.06504	49.6
121.10173	15.2
123.08083	6.5
123.11707	7.0
125.09647	7.9
127.03915	9.5
129.05463	3.5
129.06993	7.5
131.08559	18.9
133.10132	24.8
135.08073	5.6
135.11703	13.4
137.05888	2.4
137.09656	10.5
139.03923	2.9
141.06944	3.2
143.08559	4.3
145.05026	4.9
145.10143	15.5
147.11685	9.4
149.09663	18.4
149.13235	3.9
151.11140	3.7
153.01804	3.5
155.08641	2.3
155.10619	5.1
157.08682	2.9
157.10156	7.3
159.11707	13.5
161.09592	2.5
161.13266	8.0
163.06065	3.9
163.11143	11.5
165.09152	3.6
169.10127	3.3
171.10182	10.5
171.11601	3.9
173.09537	2.2
173.11732	17.3
173.13205	5.1
175.11188	5.8
177.12779	5.3
179.10791	2.5
179.14247	4.9
183.11705	4.2
187.11105	2.3
187.13358	2.8
187.93851	2.7
189.11290	2.2
191.87012	2.2
193.12254	4.5
195.13794	2.3
227.12807	3.9
229.14351	57.1
229.19388	3.2
239.18062	3.4
241.14409	2.5
243.15964	12.5
247.20604	3.8
253.18057	4.0
255.15887	8.5
257.19006	6.5
267.15991	4.7
269.17426	7.0
269.50879	2.2
271.15363	4.4
273.18497	4.8
275.20068	30.1
285.16934	4.2
291.19550	7.7
297.16922	2.9
324.27042	2.8
348.22897	2.4
349.23737	100.0
350.24161	2.6
365.23291	3.7
367.24973	14.2
368.25763	8.0
383.24243	5.0
386.26849	6.3
442.29272	4.2
445.17007	2.4
459.27222	4.9
460.30765	21.1
460.37289	3.1
477.28091	7.5
489.62122	2.8
742.41693	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	741.47
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
55.01878	9.8
55.05517	44.7
57.03438	10.8
57.07080	24.6
65.03932	5.7
67.05509	78.5
68.50642	3.4
69.07072	59.1
71.05003	4.9
71.08636	14.9
71.52341	6.8
73.02187	3.4
73.66010	3.8
79.05502	43.6
81.03419	4.0
81.07063	100.0
83.04977	5.4
83.08614	32.9
85.06524	5.2
85.10175	4.6
91.05486	49.2
93.07047	44.6
94.07838	3.0
95.04975	22.5
95.08055	5.5
95.08614	60.3
97.06549	5.2
97.10181	21.1
98.98475	12.7
99.08089	3.7
105.07034	41.1
107.04952	6.8
107.08599	31.3
109.06536	21.7
109.10157	19.4
111.11719	5.2
113.00024	13.3
113.06004	10.2
116.07140	4.7
117.07037	15.0
119.08591	41.5
120.89110	2.7
121.06538	3.7
121.10152	23.2
121.52250	2.9
123.08053	8.6
123.11697	4.4
129.07002	5.9
131.08591	28.1
133.10121	26.0
135.08049	16.6
135.11682	15.2
137.09666	4.8
143.08549	10.7
145.10112	31.3
147.08055	3.8
147.10568	4.2
147.11673	23.7
149.09621	5.3
149.13278	13.2
155.01151	4.1
157.10146	7.8
159.11728	15.6
161.09576	5.0
161.13271	20.6
163.14851	5.4
167.66040	3.5
169.02690	8.2
169.10175	3.1
171.11703	9.2
173.13290	7.6
175.14763	7.4
177.12766	5.9
179.14330	9.4
185.13234	5.7
187.14751	4.6
199.14827	6.4
215.18056	5.8
217.15944	4.4
217.19487	3.9
239.17886	4.0
241.19563	19.6
257.19119	7.9
259.20596	15.6
263.23682	3.7
273.18579	7.7
275.20007	21.3
291.19540	27.7
293.20892	8.7
297.30154	3.7
307.27933	3.6
308.29410	22.5
309.29895	9.9
311.25821	38.1
313.21658	10.0
313.27380	13.8
315.23120	10.2
331.26352	26.1
333.24127	5.5
337.27264	12.5
339.28989	5.1
349.23694	6.2
387.29022	6.2
531.40729	21.9
569.45599	75.4
611.46503	16.7
629.47632	47.6
643.52899	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	742.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.2
55.01886	19.5
55.05514	28.0
57.03428	14.3
59.04987	5.0
59.91893	3.2
61.02933	22.5
61.30630	2.9
67.05511	100.0
69.03440	16.1
69.07077	48.4
70.06577	6.3
70.40089	4.7
70.40422	6.2
71.01351	3.7
71.04984	14.8
73.02895	11.3
79.05502	43.3
79.44572	3.5
81.03428	25.9
81.07066	83.9
83.04967	13.8
83.08620	15.1
85.02919	37.2
85.06555	5.7
86.09716	5.8
91.03951	11.4
91.05488	55.7
93.07052	64.9
95.04981	16.4
95.08623	47.2
97.02895	18.6
97.06557	19.8
97.10178	10.7
98.21372	3.3
99.04454	5.5
101.96745	3.4
103.03970	4.2
103.05467	9.1
105.04502	4.4
105.07035	34.8
107.04948	9.4
107.08614	28.3
108.50138	3.3
109.02853	3.9
109.06496	5.4
109.10165	52.4
111.08104	7.8
117.07015	14.0
119.04916	4.1
119.08600	29.0
121.06517	47.8
121.10173	18.9
123.08109	7.0
123.11716	8.5
125.09660	7.6
127.03927	6.6
128.06192	3.9
129.05539	4.6
129.07033	3.8
131.08565	20.9
133.06517	5.6
133.10164	22.9
135.08043	9.6
135.11752	15.2
137.09624	11.5
143.08546	7.4
145.04973	5.6
145.10144	20.1
147.08037	4.8
147.11678	13.6
149.09581	22.1
149.13289	6.1
151.11179	8.2
153.01817	4.4
155.10736	3.6
157.10115	6.3
159.11728	14.0
161.13268	7.0
163.06001	4.9
163.11176	10.3
165.09157	4.5
165.12749	3.9
169.10210	6.2
171.10190	9.7
171.11642	7.0
173.11745	19.9
173.13271	8.7
175.11095	3.4
175.14836	3.2
177.12799	6.2
179.14293	3.2
183.11623	3.0
187.13248	4.7
193.12048	5.0
195.13823	4.3
197.13319	3.8
227.12831	4.5
229.14375	65.4
233.15446	4.1
243.15897	9.9
255.15770	7.4
257.19119	6.3
267.15756	8.1
269.17523	8.8
271.15369	10.5
273.18518	3.4
275.20047	38.7
291.19614	8.9
293.21164	4.8
297.16830	3.3
349.23779	89.3
365.23450	3.5
367.24875	19.1
368.25558	6.0
386.26855	9.8
395.49060	3.3
397.25958	7.7
404.28146	3.6
442.30292	4.2
460.30649	17.6
580.36804	3.8
637.25659	3.5
681.25146	3.7
742.41815	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
53.92291	0.8
55.01873	3.3
55.05272	1.4
55.05515	17.4
55.29723	0.9
57.03441	11.1
57.07077	1.7
61.02917	1.8
65.03925	2.1
67.05505	51.9
69.03421	1.6
69.06727	1.2
69.07070	13.9
69.31245	7.2
71.04987	3.3
72.68109	0.9
73.02901	0.8
76.94211	1.0
79.05495	42.2
81.03403	2.4
81.07057	49.2
83.04968	2.6
83.08635	9.8
85.06522	1.9
91.05483	20.0
93.07044	62.7
95.04968	6.4
95.08608	59.7
97.02897	4.2
97.06525	5.4
97.10178	3.2
98.20933	3.2
99.04440	4.2
105.07032	14.6
107.04962	9.5
107.08598	39.5
109.06519	2.9
109.10152	13.7
111.04427	1.0
111.08062	1.9
113.09674	0.9
117.07018	12.9
119.08588	15.0
121.06528	6.2
121.10147	21.9
121.11034	1.2
123.08088	1.0
123.11687	2.0
125.05991	3.7
125.92334	0.7
127.44437	0.8
129.06941	1.1
130.07739	1.8
131.08591	4.9
133.01964	0.9
133.10141	7.8
135.08081	3.2
135.11691	57.6
137.13245	1.2
139.07544	2.4
145.10132	31.3
145.11308	1.7
147.11696	3.4
149.13251	3.5
159.11710	3.4
161.13229	1.7
163.11185	68.4
164.11588	1.4
173.13225	1.2
181.12224	11.3
209.11749	2.0
227.12781	90.4
228.13193	1.6
243.21072	1.2
261.22122	8.9
283.15402	94.3
284.15775	2.1
317.24692	2.2
335.25797	100.0
336.26175	2.7
365.21588	1.0
543.36841	89.2
544.37231	4.8
561.38116	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.0
55.01858	2.2
55.05513	13.8
57.03197	0.6
57.03443	7.9
57.07063	1.4
61.02919	0.9
65.03932	2.1
67.05505	38.2
69.03425	1.4
69.06727	0.9
69.07068	11.1
69.26247	5.8
71.04980	1.5
73.02917	1.1
74.17569	0.5
75.14222	0.6
79.05495	34.5
80.05801	0.7
81.03409	1.8
81.07056	38.6
83.04964	2.4
83.08619	7.4
85.02853	0.7
85.06546	0.8
91.05484	12.7
93.07046	43.8
95.04971	4.7
95.08607	46.5
97.02879	3.4
97.06538	3.2
97.10165	1.3
99.04455	2.2
99.08051	0.6
105.04525	0.7
105.07032	10.0
107.04955	5.7
107.08595	27.4
108.08926	0.5
109.06526	2.3
109.10151	10.8
111.08061	1.4
113.06005	0.7
117.07020	9.3
119.08588	12.3
121.06526	4.2
121.10149	16.5
123.08096	1.1
123.11694	2.6
125.05980	2.1
125.09513	0.6
129.06946	0.6
130.07753	1.3
131.08571	4.7
133.10114	6.1
135.08043	1.2
135.11694	36.1
137.13254	1.1
139.07539	1.5
143.08582	0.9
145.10133	20.1
147.11668	2.4
149.09578	0.8
149.13235	2.4
156.60304	0.6
159.11670	1.2
161.13231	1.4
163.11182	37.6
163.14848	1.3
164.11459	0.7
173.09631	0.8
173.13249	1.8
175.14857	0.7
181.12209	5.4
184.07309	0.9
187.14862	1.3
209.11714	0.9
227.12784	50.7
228.13335	1.4
243.21078	2.2
245.04700	0.6
261.22153	5.2
283.15402	45.1
284.15848	1.0
317.24838	2.2
335.25800	100.0
336.26053	3.3
420.33807	0.7
470.94528	0.6
543.36829	71.2
544.36743	3.3
566.15869	0.7
762.21448	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	738.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
54.77896	1.8
55.01889	2.4
55.05516	15.6
57.03428	8.3
65.03945	2.2
66.33007	2.1
67.05509	49.4
69.07079	13.0
69.47704	2.2
71.04981	2.7
79.05497	54.6
79.05963	3.0
80.74294	1.9
81.03407	5.5
81.07063	50.8
82.96082	2.1
83.04979	9.8
83.08619	6.9
91.05481	42.7
93.07056	60.1
95.04979	8.7
95.08617	36.2
99.55257	2.5
105.07043	30.1
106.74007	2.0
107.04967	4.3
107.08602	15.3
109.06524	3.8
109.10163	8.9
117.07023	5.2
119.08591	18.8
121.10139	10.6
123.08070	3.2
123.11737	4.1
129.07019	6.8
131.08582	7.5
133.10130	13.2
135.11693	8.3
143.08485	4.6
145.10170	12.9
147.11688	20.6
159.11723	2.2
161.13266	7.9
171.11710	15.5
189.12791	5.4
207.13841	15.6
219.33905	2.2
225.14769	2.5
243.21040	2.5
261.22104	7.3
279.15964	3.7
281.17493	55.7
335.25821	41.9
541.38922	100.0
542.39001	7.2
559.39771	2.5
563.52551	2.5
651.19055	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.9
55.01889	7.9
55.05507	37.0
57.03426	11.9
57.07070	8.8
59.05009	3.6
65.03941	6.8
67.05505	100.0
68.05846	3.2
69.03448	7.5
69.07073	32.5
69.18964	33.8
71.05009	4.0
71.08626	4.7
73.17805	3.0
77.03966	3.3
79.05493	76.3
81.03444	19.2
81.07057	82.2
83.04979	9.8
83.08605	16.1
85.02920	4.2
85.06532	5.1
89.61977	3.8
91.05489	70.1
93.07047	64.7
94.80340	3.0
95.04965	30.8
95.08608	59.7
97.06522	5.8
97.10194	7.4
98.21464	7.3
99.25287	3.5
103.05490	6.9
105.07033	44.4
107.04977	7.0
107.08604	35.9
109.06535	11.8
109.10160	21.8
112.99953	3.1
113.06009	5.8
115.05492	8.0
117.07003	26.2
119.04949	3.2
119.08596	36.4
121.06494	6.7
121.10132	21.0
123.08089	5.4
123.11704	7.6
128.06223	11.6
129.06998	34.9
130.07852	3.6
131.08571	41.7
133.06508	9.1
133.10149	24.9
135.08040	7.2
135.11682	15.1
140.92000	3.0
141.06964	20.7
142.07762	7.5
143.08559	32.1
145.06505	13.2
145.10109	25.3
147.08072	5.7
147.11708	8.8
149.09648	4.3
149.13242	8.9
153.06963	6.3
154.07791	8.0
155.08577	26.4
156.09351	5.1
157.06497	7.7
157.10114	23.7
159.08081	9.0
159.11691	18.8
159.39168	3.4
161.09598	8.5
161.13278	9.6
165.07004	12.0
166.07759	6.3
167.08545	10.2
168.09358	8.2
169.06573	4.2
169.10098	26.0
170.07155	3.2
171.08070	9.4
171.11703	19.0
173.09641	8.7
173.13278	14.8
175.14890	3.6
179.08636	7.4
179.14319	4.8
180.09282	5.8
181.10214	13.7
183.08051	7.8
183.11652	16.5
185.09615	11.7
185.13226	15.9
187.11220	4.4
187.14816	8.6
193.10219	4.4
195.08069	7.3
195.11703	11.3
197.09657	10.8
197.13303	10.2
198.10393	3.7
199.11197	6.8
199.14810	8.7
201.12804	6.5
205.10109	4.8
206.11031	3.8
207.11699	7.1
209.09599	7.1
209.13255	12.3
210.10498	5.0
211.11136	7.7
211.14748	4.0
213.12782	5.9
213.16235	3.9
219.11769	3.4
221.13251	6.5
223.11224	8.0
223.14656	4.9
225.12833	7.9
239.14447	5.0
255.17424	4.4
263.18054	3.6
273.18649	4.5
291.19614	12.5
295.20560	4.0
297.22092	5.1
302.70441	3.0
309.22421	4.2
321.22134	5.8
325.21600	9.2
331.20825	4.1
333.24347	4.0
335.25824	37.4
337.21619	5.9
339.23151	9.3
349.21622	21.8
351.23373	4.5
355.22440	4.0
367.22696	33.6
385.23746	23.7
403.25180	4.4
441.26279	10.9
459.27341	7.6
473.65222	3.3
540.43738	5.9
607.43823	4.6
625.44336	18.2
647.46320	6.2
677.47284	7.3
689.47375	10.4
701.48071	37.7
719.49023	35.0
737.49768	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	737.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.9
53.12408	3.9
55.01863	9.4
55.05513	41.3
57.03437	16.9
57.07060	4.5
61.02927	26.3
62.06079	4.8
65.03941	6.8
67.05505	74.4
69.03427	18.7
69.07066	23.6
70.95704	8.0
71.04996	20.3
73.02916	11.3
79.05493	63.9
81.03425	24.4
81.07054	73.9
83.04991	12.0
83.08605	21.0
85.02898	18.7
85.06557	4.4
91.03941	8.6
91.05475	62.0
93.07039	56.1
95.04971	18.0
95.08605	37.0
97.02895	14.4
97.06529	11.9
97.10164	22.4
99.04443	4.3
99.08080	7.6
105.07043	50.1
107.04935	10.6
107.08577	37.1
109.02831	3.9
109.06531	9.1
109.10165	17.2
111.08063	5.1
115.05426	5.9
117.07033	26.8
119.08599	41.2
121.06483	8.2
121.10139	21.5
123.08058	9.8
123.11678	4.4
125.05866	3.6
125.09641	14.0
127.03893	4.1
128.06184	8.2
129.07005	25.3
131.08568	37.2
133.06451	5.0
133.10146	29.8
135.08075	6.7
135.11682	11.1
136.12189	4.2
139.11153	4.3
141.06964	11.1
142.07793	6.1
143.08586	26.9
145.10132	34.4
145.80350	3.7
147.08044	8.0
147.11723	19.9
149.09572	7.7
149.13254	9.2
155.08556	16.4
156.09274	4.1
157.10129	22.3
159.08017	4.5
159.11708	26.2
161.09607	7.1
161.13261	6.3
163.11270	6.1
165.06973	4.3
167.08597	6.3
169.10115	20.3
171.11650	22.1
173.09586	4.8
173.13266	16.4
175.11130	6.1
177.12715	3.7
181.10112	12.7
183.11732	14.8
185.09659	4.3
185.13251	11.7
187.11176	3.4
187.14790	6.1
189.11240	8.2
189.12798	3.6
191.81970	3.5
195.11685	11.7
195.13594	3.5
197.13306	11.4
199.11237	4.2
199.14836	9.1
201.12808	4.1
205.10222	3.8
207.11649	5.2
209.13298	7.0
211.14786	8.2
213.12871	4.1
223.14816	6.4
227.12811	12.1
238.73012	3.4
240.97679	3.4
254.64952	3.6
273.18582	6.9
275.20093	12.0
283.20520	5.4
285.22064	7.1
299.23685	8.6
325.21552	5.0
341.24637	4.3
349.23593	4.3
415.29977	4.8
421.26074	5.7
433.31009	22.5
443.27933	5.4
451.31973	19.8
461.29059	5.7
465.33585	5.7
469.33109	7.9
507.34692	12.5
517.35455	19.5
525.35718	82.6
543.28406	5.1
543.36804	100.0
544.37158	4.9
557.38580	21.4
575.39642	36.4
737.42664	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	736.5342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04146	0.6
67.05505	0.9
71.07280	1.5
74.09719	0.8
81.07058	1.0
93.07086	0.7
103.42986	0.6
105.07018	0.9
107.08617	0.9
171.93571	0.6
200.65369	0.7
304.26587	1.1
320.25632	1.3
327.80066	0.7
362.21735	0.6
482.31055	2.5
677.20825	0.7
736.53314	100.0
737.53705	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	737.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
57.07048	0.6
61.12540	0.4
66.56209	0.4
68.19378	0.4
69.03418	1.1
79.01853	3.3
83.04987	2.2
85.02903	0.8
87.80573	0.4
97.02886	0.9
107.01337	0.9
111.04445	3.8
121.02854	3.7
121.03680	0.5
121.03953	0.4
125.02349	2.1
129.05481	0.5
143.03398	4.6
147.20284	0.4
149.02367	2.4
150.02681	0.8
151.83165	0.4
153.01833	100.0
153.02882	5.1
154.02196	1.1
158.34340	0.5
160.13690	0.4
163.03883	0.6
173.06007	0.9
179.03412	1.7
181.01419	1.8
189.05573	0.4
191.03329	0.4
191.07104	0.4
201.05510	1.7
207.02911	6.2
207.06641	0.5
217.05099	0.7
219.06519	4.0
221.04457	1.6
223.02489	0.7
235.05966	0.6
237.03900	1.2
245.04498	1.0
263.05536	2.6
277.14365	1.3
278.14835	0.6
281.06583	10.4
283.06094	0.6
287.05588	1.7
297.07675	0.5
299.05475	7.1
299.08594	0.5
300.06128	0.7
311.05524	2.1
313.03436	0.4
313.07031	0.6
315.04868	0.9
325.06989	3.5
327.05035	0.4
329.06631	1.7
337.07095	0.5
341.06522	0.5
351.08752	1.0
353.06595	8.5
371.07739	0.8
379.08154	3.1
397.09174	3.5
398.09824	0.4
415.10181	1.5
433.11707	0.7
567.11334	2.5
567.48773	0.4
585.12323	1.3
611.76068	0.4
659.77167	0.4
737.12598	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.8
55.05516	13.5
57.03426	6.2
57.07078	32.6
61.02914	2.9
62.29915	1.5
65.03933	2.5
67.05506	52.6
69.03435	2.0
69.07078	12.9
71.04996	25.2
71.08636	26.1
71.52001	1.8
72.58722	1.7
73.06557	1.8
79.05493	18.6
81.03389	1.6
81.07060	87.0
83.04986	1.9
83.08628	18.9
85.02913	2.4
85.06545	10.1
85.09795	1.5
85.10201	14.8
91.05479	22.1
93.07053	15.1
95.04990	3.3
95.08611	31.1
97.06538	3.5
97.10185	7.0
98.06072	2.0
105.07027	11.0
105.81135	1.6
107.08611	9.7
109.10176	17.0
111.08080	2.5
111.56132	1.7
113.06041	2.1
116.07149	2.1
117.07025	3.5
121.06507	1.8
121.10160	3.0
123.11726	17.5
129.07022	2.2
131.08551	5.4
133.10133	16.0
135.11731	4.2
137.13232	1.8
141.12756	1.8
142.07747	1.7
145.10146	2.6
147.11688	1.9
149.13240	4.3
151.11188	7.5
157.10208	2.4
159.11708	4.2
169.12288	2.9
177.12755	2.7
183.13811	3.8
187.13339	6.5
195.13782	1.9
199.13243	1.8
207.70393	1.9
239.23834	3.8
269.17493	6.3
291.19702	2.1
301.20090	19.6
304.26416	3.7
306.27875	7.1
308.29572	3.2
313.27435	19.9
333.24210	2.5
335.25748	2.8
481.38904	100.0
482.39047	4.2
495.40741	3.9
507.40408	6.5
539.43079	93.4
540.43439	3.8
625.44452	2.3
701.47388	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01882	0.3
55.05513	4.5
57.03428	0.7
57.07078	15.8
57.81289	0.1
58.07408	0.2
61.02908	0.5
65.03923	1.0
67.05489	0.4
68.99786	0.4
69.03428	2.0
69.07070	0.3
70.17190	0.6
70.51171	0.1
71.01347	0.3
71.04982	0.3
72.08134	0.2
73.02930	0.4
73.06564	0.8
79.05475	0.2
81.03429	1.5
81.07032	0.4
83.04974	0.2
84.08139	0.4
85.02908	10.1
87.00835	2.2
91.05486	0.5
92.85411	0.2
93.03387	0.3
93.07027	0.2
94.40994	0.2
95.01328	0.6
95.04969	0.2
97.02903	2.0
99.00819	0.3
99.04463	0.6
103.03956	0.5
105.01878	1.9
107.08556	0.3
109.02895	1.5
109.10178	0.2
111.04459	0.3
113.02390	0.3
116.07045	0.2
119.08604	0.3
121.02866	2.4
121.03799	0.3
121.06503	0.3
123.04429	0.3
125.02327	0.2
127.03076	0.3
127.03925	2.7
127.18875	0.2
129.01826	0.5
129.07004	0.4
130.08643	0.2
131.08542	0.4
137.09613	0.2
139.03893	0.5
141.01846	1.3
145.04968	0.8
147.02913	0.3
149.02347	100.0
150.02724	1.1
151.03918	0.4
153.01845	1.5
159.02887	0.6
159.08122	0.2
159.38733	0.2
161.05946	1.3
167.03415	1.0
175.07547	4.1
179.03418	0.2
185.05940	0.2
189.03964	0.4
190.04874	0.3
203.07050	7.3
204.07343	0.2
205.08611	7.9
221.08051	1.4
223.09586	0.4
231.04968	0.8
273.05936	0.3
277.14355	37.7
278.14648	0.7
295.15460	2.1
320.04596	0.2
350.67926	0.2
360.17880	0.2
401.68201	0.2
406.05640	0.2
416.65533	0.2
736.38562	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	13.8
55.01882	20.6
55.05516	35.8
57.03449	11.5
59.05011	4.4
61.02929	10.0
61.05647	2.4
62.57200	2.6
65.03946	5.5
67.05513	77.8
69.03440	19.3
69.07075	30.9
70.05418	2.1
70.12474	11.3
71.04991	9.5
72.95618	2.4
73.02912	3.7
79.05500	94.2
81.03431	38.2
81.06589	5.6
81.07067	100.0
81.63004	2.8
83.04987	24.3
83.08632	22.7
85.02919	9.5
85.06552	5.1
91.03953	3.7
91.05485	91.0
93.07049	83.7
95.04990	25.5
95.08618	49.8
97.02917	13.1
97.06533	31.0
97.10185	10.5
98.20789	2.7
99.04456	5.4
99.08119	5.7
105.04538	5.4
105.07039	81.1
107.04973	17.4
107.08598	45.1
109.02880	6.6
109.06533	14.8
109.10165	14.1
111.04462	3.6
111.08084	3.7
114.65936	2.3
115.05421	3.5
117.07053	24.6
119.08585	54.7
121.06513	8.4
121.10152	17.2
123.04480	4.0
123.08070	13.6
123.11790	3.7
123.46510	2.4
125.09641	8.0
127.03945	7.9
127.07578	2.7
128.06221	6.1
129.07011	21.4
131.08582	29.0
133.06517	5.4
133.10143	34.3
134.10751	2.6
135.08078	9.3
135.11690	13.2
137.09586	4.0
141.07117	2.9
143.08549	16.4
145.10152	27.3
147.08072	8.2
147.11687	39.7
149.09645	14.2
149.13293	7.4
155.08557	4.2
157.10147	10.3
159.08080	4.7
159.11746	15.3
161.09637	6.2
161.13301	14.9
163.11201	10.8
165.12766	2.5
169.10149	7.5
171.11700	32.9
173.04483	8.0
173.13281	7.7
175.11290	4.7
177.12729	5.2
179.14424	4.3
181.10107	3.6
183.11694	5.4
187.11269	4.6
189.11285	2.8
189.12773	10.1
195.11618	3.5
197.13354	5.6
201.12575	2.5
207.12042	4.5
207.13776	23.4
225.14931	3.6
227.12770	17.9
229.14294	3.4
239.18076	4.8
247.20503	3.7
257.19037	11.3
275.20087	62.9
279.15924	3.2
281.17480	77.7
291.19919	3.0
293.21173	6.6
337.50107	2.4
349.23849	24.2
350.97845	2.6
377.23297	4.3
451.26996	6.6
459.31445	4.2
475.30731	42.6
499.30075	2.7
537.35669	5.1
555.36816	44.0
573.37933	8.5
619.34851	10.6
717.42029	5.4
735.42261	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	732.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82429	0.7
55.05514	1.9
57.07080	85.6
59.05003	13.1
67.05508	1.7
69.07071	2.3
69.45246	6.6
71.08636	53.8
73.02924	1.1
73.06552	5.4
79.05503	1.2
81.07059	1.5
84.04492	3.2
85.10188	44.1
86.09705	1.3
87.04481	15.4
89.06036	100.0
91.05450	0.9
91.07640	1.0
93.07008	1.1
95.08644	0.8
97.10167	1.6
99.11734	8.1
103.07579	7.9
103.64536	0.8
107.07087	1.7
113.13292	1.5
117.09106	4.1
130.08643	2.4
131.07034	5.8
133.08612	76.3
141.16362	1.1
155.17990	3.8
161.11835	1.2
174.04561	0.7
175.09677	4.8
177.11246	28.1
184.07379	2.6
213.22134	4.8
221.13873	6.2
239.14850	1.6
257.24796	4.6
265.16467	1.9
283.17438	1.6
309.19281	1.1
327.19989	1.4
459.27994	1.6
503.30515	6.3
619.90479	1.0
714.46063	1.0
715.51282	1.4
732.44086	1.1
732.55194	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81866	0.9
55.05505	3.1
57.03436	2.3
57.07078	99.4
59.05005	31.8
67.05473	1.6
69.03398	1.0
69.07047	3.0
70.46116	3.0
70.46465	0.9
70.52237	0.8
71.08635	100.0
73.02922	1.3
73.06545	2.8
79.05481	1.4
81.07040	2.7
83.04965	1.0
83.08619	3.0
84.04484	3.8
85.10184	95.4
86.10483	1.2
87.04479	12.3
87.08101	1.5
89.06036	89.8
93.07053	1.3
97.10185	1.2
99.11724	11.7
101.09652	1.5
103.07574	1.0
107.07076	1.6
117.09158	7.6
117.69134	0.9
119.08581	1.1
121.06477	1.2
130.08652	1.5
131.07063	6.1
133.08611	65.0
141.16389	9.4
161.11717	1.0
171.58678	0.9
173.11691	1.1
175.09666	3.1
177.11227	27.6
183.59703	0.9
184.07368	2.8
199.20576	20.4
218.14848	0.9
219.12260	2.0
221.13818	5.8
239.14845	1.3
240.23195	1.4
256.70615	1.0
257.24786	8.6
265.16547	2.0
327.20041	1.0
335.25925	1.9
371.22141	1.1
398.21823	1.0
415.25266	1.9
420.21179	1.0
441.27100	1.2
459.28036	7.7
504.48300	0.9
517.31677	1.2
528.08954	1.1
546.77789	1.0
606.94519	1.1
732.54370	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	731.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
53.19054	0.7
59.15770	0.6
67.05504	0.7
69.03418	0.7
70.06596	1.0
78.24312	0.6
79.05490	1.8
81.07079	1.3
83.08604	0.7
91.05500	0.9
93.07074	1.5
98.21568	1.0
105.07062	0.7
107.08577	1.1
108.94678	0.6
131.08598	0.9
139.03937	1.1
153.01773	1.0
186.67502	0.8
203.05289	1.9
259.07953	2.4
303.15634	0.8
321.16681	1.9
347.09564	2.5
363.09076	1.4
365.10706	2.7
421.13382	2.7
455.22086	0.9
471.22110	0.9
479.02560	0.7
483.22073	30.7
493.15448	1.2
507.17923	0.7
551.28174	0.9
569.29468	1.4
615.25873	1.2
617.28253	0.8
624.08667	0.9
633.27234	3.7
645.27344	100.0
646.27789	4.7
669.42328	1.0
713.33435	9.4
731.34583	19.9
732.35162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
65.03934	1.3
65.08643	0.8
68.99792	3.6
69.03420	2.1
69.85011	1.9
69.85425	1.7
81.03374	1.0
85.02882	0.9
91.05505	1.7
93.03400	1.0
95.04958	1.1
97.02917	0.8
99.93408	0.7
107.04952	1.2
111.00814	2.2
111.04432	2.6
121.02833	1.4
121.06508	4.6
123.04424	3.4
125.02393	0.7
127.03905	2.2
129.06996	0.8
135.04410	2.6
137.02296	1.0
137.06003	1.3
139.03912	48.7
140.04172	1.3
141.07022	1.2
145.06549	1.1
147.04393	2.6
149.02335	0.7
149.05978	1.0
151.03926	9.2
153.01822	2.1
153.05493	1.9
153.06931	1.6
154.04982	1.0
154.66235	0.7
157.06477	1.2
161.06068	1.4
163.03897	14.2
165.05501	5.6
167.03400	4.5
167.04837	1.8
168.08095	1.7
169.06569	3.6
169.07751	0.8
171.08067	0.8
173.05995	1.5
175.03949	3.3
175.07518	0.8
177.05446	4.2
179.03413	4.1
181.04958	2.6
181.06526	3.4
183.04468	1.6
183.93028	0.8
184.07591	1.8
185.05946	3.0
186.09190	1.1
187.03947	1.6
187.07527	0.9
189.05446	3.1
191.03400	12.4
193.04990	2.2
195.04439	0.7
195.06523	0.9
196.07614	6.1
197.06010	8.5
199.03957	1.7
199.07645	2.5
200.07060	4.0
201.05524	9.3
202.06256	1.1
203.03421	6.3
203.07083	2.2
204.06593	0.8
205.04956	5.1
209.05978	2.2
211.03902	1.8
212.07079	2.4
213.05479	13.9
214.08693	2.4
215.03456	2.5
215.07050	7.0
217.05031	5.1
217.06938	1.1
224.07059	13.3
225.03574	0.8
225.05434	4.5
226.06212	0.9
227.06970	5.1
228.06471	2.0
229.05017	13.0
229.07309	2.0
230.05913	1.5
230.08006	1.7
231.06488	6.0
233.04292	5.8
236.07076	1.1
237.05502	5.5
241.04996	8.1
242.08038	1.2
243.06509	11.1
245.04477	4.5
246.07619	12.1
251.07297	1.1
252.06517	3.4
253.04985	2.7
254.05800	1.5
254.08151	8.1
255.06473	7.0
256.06116	1.2
257.04477	17.9
258.05133	1.6
258.07635	3.8
259.06046	3.4
260.09335	2.6
264.06332	1.0
265.04990	2.9
269.04395	3.0
269.06973	1.9
270.07623	100.0
271.05887	16.7
272.09323	3.7
273.07602	2.3
275.05338	8.6
278.08154	0.9
279.06607	0.9
281.04465	1.4
282.07632	9.9
283.05960	9.2
287.05380	4.1
288.08884	1.1
290.10214	2.6
291.06381	1.5
297.07571	1.4
299.05591	2.8
300.08603	9.1
301.06915	4.4
303.06387	1.0
309.07578	1.4
309.55322	0.9
313.07230	0.8
317.08206	1.7
319.08099	2.3
321.07678	1.8
322.86276	1.0
324.10822	0.9
333.07632	0.9
337.07272	1.7
345.07526	2.9
349.07022	1.2
351.08521	0.9
355.08261	1.8
361.07220	1.7
363.08636	4.0
367.08035	2.2
373.06909	1.5
377.11960	0.8
378.09589	1.0
379.08054	4.5
380.11237	2.2
381.09628	1.2
384.10886	10.9
389.06744	1.7
390.09656	1.3
391.08032	9.1
402.09698	0.8
403.08029	2.0
406.09390	1.3
407.07813	3.2
408.10818	12.4
409.09146	13.4
420.10797	4.8
421.09338	1.9
425.08707	6.9
426.11862	25.5
427.12350	1.2
438.11847	3.5
443.09750	6.0
528.12653	1.1
529.11432	3.6
546.14215	5.6
564.15051	19.4
565.15485	1.3
679.14063	1.6
697.15497	1.8
714.17572	2.0
732.19128	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	730.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.4
57.03437	1.6
57.07077	100.0
59.05003	41.0
67.05511	1.2
69.07059	2.8
69.95153	4.3
71.08633	71.4
73.02897	0.8
73.06521	0.7
83.08607	2.4
85.10183	63.5
86.10480	0.8
87.04466	3.8
89.05488	1.5
89.06033	25.9
90.01875	0.7
95.08617	0.9
97.10155	3.4
99.11739	12.8
100.07642	0.8
100.83510	0.9
101.09643	3.3
111.11597	1.0
113.13293	4.9
117.09138	14.3
130.08595	1.2
131.07039	1.2
133.08594	18.6
140.81711	0.8
155.17947	8.7
155.39639	0.8
175.09579	0.9
177.11206	6.8
184.07292	0.9
213.22150	17.7
221.13914	1.8
271.26337	21.8
327.20081	6.8
329.30731	1.2
385.24304	1.5
485.40311	0.9
699.29834	1.3
730.55981	2.1
731.32635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
67.05511	0.5
69.03432	0.6
75.09113	0.5
79.05515	0.6
81.03368	0.6
81.05975	0.5
81.07054	1.1
85.02887	0.5
91.05452	0.6
93.07061	1.1
95.08617	0.8
104.64937	0.4
105.07025	0.7
105.64612	0.5
107.39163	0.5
109.10188	0.8
137.06013	0.8
139.03839	0.5
145.07106	0.5
153.01886	0.7
178.13361	0.5
185.04259	1.3
201.03752	0.5
203.05290	1.5
259.08017	2.0
332.96109	0.5
333.20172	0.6
347.09662	1.6
352.73770	0.5
353.16556	0.5
365.10455	2.5
375.71292	0.5
406.18646	0.5
407.24167	1.6
421.13351	1.5
457.20554	3.2
471.22220	5.6
487.21597	0.9
527.65381	0.5
569.29443	12.5
619.25293	1.1
633.27203	2.5
731.34607	100.0
732.35358	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	728.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.5
53.03944	2.6
55.01868	1.0
55.05268	1.4
55.05517	17.7
57.03440	10.1
57.07071	2.7
59.25232	0.7
61.02938	5.0
61.78693	1.0
63.69402	0.8
65.03935	3.7
67.05510	68.6
67.54007	0.8
69.03426	2.0
69.07074	19.2
71.04984	3.2
71.08625	1.9
71.51774	1.1
73.02907	1.2
79.05502	26.8
81.03424	1.4
81.07063	67.7
83.04977	2.2
83.08629	12.6
85.02907	3.2
85.06556	7.2
91.03937	1.6
91.05493	13.7
93.07051	31.9
95.04954	1.8
95.08616	100.0
97.02904	1.5
97.06535	5.5
97.10159	4.3
99.08064	2.5
105.04549	0.9
105.07036	9.5
107.08611	14.5
107.50816	0.9
109.06532	1.6
109.10159	26.3
111.08066	2.0
115.07572	1.2
117.07033	3.1
117.59965	0.8
118.78627	0.9
119.08582	11.4
120.18227	0.8
121.09335	1.1
121.10155	13.2
123.08108	2.1
123.11692	3.6
125.09668	0.9
127.07584	0.8
131.08568	4.5
133.10136	8.0
135.11705	9.0
137.09592	1.2
137.13251	2.8
139.11063	0.9
141.09140	0.9
145.10092	3.8
147.11697	3.5
149.13229	4.5
151.14795	1.9
155.82890	0.9
159.11699	2.1
161.13289	14.9
163.14821	3.0
173.13283	3.1
175.14871	1.2
179.14339	5.7
184.07332	1.7
197.15352	3.1
215.16441	1.5
243.21021	2.3
261.22162	9.1
269.17477	2.0
271.19067	75.2
272.19461	2.6
275.80984	0.8
301.25497	0.8
303.54404	0.8
317.24811	2.7
335.25827	70.0
336.26120	1.3
531.40509	61.1
532.40662	2.3
549.41724	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.4
55.12934	0.4
57.03428	0.5
65.02362	0.4
67.05507	0.5
69.03418	0.7
69.07059	0.5
69.64414	1.5
69.64828	1.0
79.05503	0.9
81.07076	0.9
83.04982	0.4
85.02895	0.5
91.05473	0.6
93.07056	1.6
95.04992	0.6
97.02871	0.7
97.74798	0.4
98.20790	0.7
107.08622	0.7
109.02966	0.4
109.06538	0.5
109.10224	0.6
119.08602	0.5
121.06522	0.5
121.10162	1.9
131.08560	0.7
132.60222	0.4
137.05986	0.6
149.09669	0.9
175.11488	0.4
185.04269	1.4
201.03700	0.7
203.05388	2.2
259.07870	2.6
281.13934	0.7
331.10056	1.0
331.18900	0.5
347.09604	1.6
359.13571	0.5
365.10635	2.1
401.94333	0.4
405.17902	0.4
405.22632	2.2
421.13431	1.4
469.20416	0.7
485.19940	0.7
493.15125	1.0
500.58145	0.4
539.28021	0.8
560.53906	0.4
567.27765	12.9
568.28503	0.8
587.29596	0.4
729.33075	100.0
730.33392	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	727.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15555	0.7
56.93123	0.7
65.48627	0.7
67.05518	1.1
69.07075	1.2
70.06591	1.3
71.50713	1.4
77.84438	0.7
79.05492	1.4
81.07055	1.3
85.02914	0.9
86.09714	1.1
93.07050	2.0
105.07008	0.7
107.08627	1.1
108.78489	0.7
110.06069	1.0
121.06496	1.3
121.10203	1.0
122.06023	2.1
138.05525	0.8
138.09149	1.7
139.03891	0.8
140.07062	2.2
146.06041	1.2
151.07565	0.8
153.01839	2.6
154.05023	2.1
154.08617	2.3
154.37366	0.8
156.10248	4.9
162.09171	1.0
168.10245	3.1
172.03966	5.1
174.05544	0.9
182.08159	3.5
190.04976	2.6
192.06317	0.9
200.09200	0.9
204.06596	2.2
206.08400	1.5
207.09196	0.9
218.08128	1.0
220.09938	0.8
221.10760	1.8
222.09108	0.8
232.09662	0.8
233.10754	1.5
235.08699	3.9
236.09428	1.6
237.10252	1.4
240.42998	0.7
248.09575	1.2
249.10249	23.8
250.11009	3.2
251.08232	2.8
251.11816	1.3
253.09705	0.8
259.08545	0.8
261.10138	0.8
263.08182	8.6
264.08884	2.3
265.09738	1.4
267.11356	1.3
277.09741	45.7
278.10529	4.9
279.08420	0.7
279.11310	3.3
280.08490	0.8
281.09167	2.7
283.10757	1.5
285.12228	0.7
286.06973	0.8
289.09760	1.3
290.08176	1.6
291.07645	15.2
292.08337	3.6
293.09213	1.3
295.07889	1.0
295.10779	5.4
299.10223	0.9
301.11868	2.0
305.09320	6.9
306.09952	1.2
307.10925	2.2
309.08704	3.9
309.12381	5.3
310.09494	1.9
311.10431	0.9
313.11807	1.6
322.10791	2.8
323.10294	67.7
324.10739	3.1
325.19931	0.8
326.99930	0.8
333.08658	2.0
333.14508	0.9
337.11844	5.5
339.13483	0.8
341.11377	2.8
345.14450	1.2
351.09717	7.1
353.11310	2.4
355.12903	33.1
356.13605	1.5
365.11316	3.0
369.10663	1.2
383.12411	27.9
384.12723	1.0
385.13867	2.0
397.14078	2.4
401.13354	0.8
415.15030	100.0
416.15488	3.6
472.15070	0.8
496.21368	1.2
506.19424	1.7
510.19028	1.8
538.22003	14.8
542.20807	0.9
570.24512	9.8
645.25391	8.2
677.27765	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.3
53.03933	2.5
55.01871	1.9
55.05274	1.0
55.05518	14.8
57.03445	11.0
57.07067	2.8
59.45998	0.7
61.02929	1.5
64.45436	1.0
65.03942	2.3
65.57067	0.7
67.05510	61.6
69.03429	1.1
69.07073	17.1
69.25986	4.5
69.26404	2.0
71.04993	3.0
72.60431	0.7
73.02905	1.4
79.05499	38.9
81.03438	1.0
81.07063	63.3
82.07366	0.8
83.04985	3.1
83.08630	10.6
85.02916	3.1
85.06536	2.8
86.09695	1.0
87.93971	0.9
91.03943	1.4
91.05488	18.1
93.07052	54.3
94.30896	0.7
95.01463	0.7
95.04981	4.7
95.08617	32.8
97.02908	1.4
97.06538	8.5
97.10181	2.7
99.08101	1.8
105.07040	11.3
107.08604	24.7
109.06506	2.1
109.10158	9.3
111.08112	4.4
115.05428	0.8
117.07018	6.7
119.08603	7.2
121.06514	1.8
121.10152	18.6
123.11717	3.7
131.08598	10.1
133.10138	8.4
135.08136	0.9
135.11705	10.6
137.13193	0.9
145.10176	3.9
147.11702	3.8
149.13274	19.4
150.82631	0.9
159.11705	9.5
161.13287	3.2
163.14825	2.4
165.12816	1.0
169.77007	0.9
173.13290	2.5
175.14853	1.5
177.12769	4.0
177.16364	0.9
184.07347	1.2
187.14793	1.3
195.13789	8.7
243.21133	2.3
261.22128	8.7
267.16016	1.1
269.17511	52.0
270.17923	1.5
299.15073	0.7
301.92230	0.8
317.24765	3.1
335.25815	57.2
336.26166	2.1
529.38940	100.0
530.39313	5.2
547.39038	1.0
726.46857	0.9
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
55.01858	6.8
55.05517	15.0
56.28164	1.6
57.03444	15.7
57.07066	1.8
61.02925	12.4
65.03935	2.5
67.05508	51.4
69.03426	10.2
69.07068	22.7
70.25148	4.6
71.05000	4.3
73.02903	4.6
79.05495	39.0
81.03413	12.6
81.07057	67.2
82.07319	1.4
82.76777	1.5
83.04969	11.7
83.08627	13.1
85.02905	15.1
85.06535	4.8
85.55035	1.6
91.03953	9.4
91.05481	34.9
92.84378	1.4
93.07044	50.9
93.14532	1.7
93.21026	1.7
95.04965	6.5
95.08604	23.6
97.02924	9.7
97.06536	17.7
97.10161	7.1
98.21441	2.0
99.08100	4.9
103.03901	2.9
105.04488	2.2
105.07034	27.1
105.76514	1.8
107.04984	7.8
107.08603	33.8
109.02872	3.1
109.06512	7.0
109.10153	11.4
111.08055	5.5
117.07027	13.9
119.08598	21.4
121.06498	3.3
121.10152	15.6
123.08061	2.2
123.11674	4.2
125.09647	2.9
127.03902	7.2
129.07048	2.2
131.08597	18.5
133.06456	1.5
133.10147	24.4
135.08051	4.1
135.11699	21.6
137.09618	2.0
143.08542	2.9
145.04932	4.5
145.06357	1.5
145.10112	13.6
147.08112	1.7
147.11678	12.0
149.09654	12.0
149.13261	19.0
150.03728	1.8
151.07521	1.6
151.11113	3.1
153.01796	1.7
157.10170	3.0
159.11703	21.1
160.11945	1.7
161.13293	5.3
163.05971	3.3
163.11185	9.6
171.11626	2.9
173.04500	3.5
173.11819	2.8
173.13272	5.2
175.11217	2.1
177.12746	20.8
179.14319	7.9
181.12225	2.3
183.11746	2.2
187.11134	3.0
189.11151	2.7
195.13823	9.0
197.13297	2.4
227.12709	1.8
229.14331	3.9
229.19484	2.1
239.17975	3.7
245.13852	2.4
247.20554	2.9
251.16330	2.9
255.15945	45.0
257.19025	7.2
269.17493	100.0
270.17953	2.2
275.20071	23.5
277.68719	1.6
293.21274	1.9
309.20456	1.8
320.92480	1.7
331.22836	1.7
349.23737	66.0
367.24808	28.2
383.60254	2.0
395.20541	2.4
413.21570	5.9
480.32349	2.0
493.28397	2.4
511.29132	7.9
554.76965	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.01876	8.5
55.05516	18.3
57.03442	8.9
58.39947	1.4
61.02932	9.8
61.54646	1.3
65.03950	1.8
67.05509	34.1
69.03432	8.4
69.07069	19.0
69.31074	1.3
69.31414	12.3
71.04993	4.3
73.02925	3.0
73.40327	1.3
77.62635	1.7
79.05071	2.8
79.05495	30.0
79.05916	2.5
81.03416	8.9
81.07063	36.5
83.04987	6.1
83.08626	11.0
85.02905	14.6
85.06531	3.0
91.03986	6.9
91.05484	27.8
93.07050	27.6
95.04973	7.6
95.08607	19.3
97.02914	9.3
97.06532	12.0
97.10171	13.4
105.06389	2.5
105.07040	28.2
107.04959	7.7
107.08599	29.4
109.02840	2.4
109.06527	5.3
109.10158	13.9
111.08099	3.7
117.07025	10.8
119.08594	17.7
121.06522	3.3
121.10136	10.7
123.08067	2.3
123.11723	2.5
125.09625	10.5
127.03919	5.4
129.07040	1.7
131.08569	16.0
133.10147	15.0
135.08084	3.8
135.11708	7.4
137.09633	3.0
139.03934	2.4
141.07048	1.8
143.08540	2.8
145.04999	3.2
145.10121	13.8
147.08043	2.6
147.11687	8.3
149.09636	12.0
149.13269	6.9
151.07561	1.7
151.11208	2.0
155.08566	1.7
155.10696	2.4
157.10144	4.0
159.11690	12.1
161.13266	3.1
163.05980	2.3
163.11183	8.3
171.10272	2.6
171.11766	4.8
173.11894	1.5
173.13277	4.7
177.12753	8.6
179.14305	3.5
183.11731	2.9
185.13300	1.6
189.11221	7.1
191.10667	1.5
193.12354	2.2
195.13736	2.5
197.13264	1.5
217.15857	2.0
227.12784	9.5
229.14412	14.3
229.19533	3.1
239.17972	3.9
245.13876	4.2
247.20580	2.0
251.16615	2.3
255.15878	9.9
256.26456	1.6
257.18979	12.3
267.15787	1.6
269.17493	33.8
275.20065	37.0
275.22809	2.6
283.15436	1.9
293.21106	4.3
309.20758	1.9
331.22278	1.7
335.72409	1.6
349.23734	100.0
350.24091	1.9
367.24756	18.0
389.17343	1.6
408.55887	1.4
413.21414	2.7
439.26782	1.7
461.32550	6.2
493.27402	2.0
511.28894	3.9
547.61841	1.5
659.56390	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50922	1.4
53.03946	8.6
55.01882	7.4
55.05517	25.9
57.03188	2.0
57.03445	22.0
57.07077	2.9
58.38919	1.3
61.02932	38.3
65.03947	3.4
67.05510	70.8
69.03439	17.2
69.07073	34.7
71.01349	2.2
71.05001	7.7
71.50673	1.8
73.02927	14.6
75.04475	1.7
77.03934	3.4
79.05500	74.8
81.03426	15.9
81.07066	86.0
82.18047	1.2
83.04995	17.1
83.08630	16.9
83.76157	1.6
85.02911	44.0
85.06551	5.5
85.48708	1.2
87.04501	1.5
91.03970	24.8
91.04911	2.7
91.05491	67.2
93.07053	100.0
95.04987	11.7
95.08614	43.6
97.02906	29.4
97.06534	18.6
97.10186	3.5
99.04463	5.4
99.08106	8.8
103.03960	1.6
103.05480	2.3
103.66438	1.4
105.04530	3.4
105.07040	59.2
106.86415	1.4
107.04299	1.5
107.04955	8.6
107.08605	53.5
109.02883	4.7
109.06525	7.1
109.10166	14.2
111.04489	2.9
111.08140	7.6
113.09665	1.7
115.05471	3.5
117.07027	23.4
118.06548	1.3
119.08598	48.5
121.06534	5.5
121.10154	38.2
123.04440	1.5
123.08087	6.4
123.11713	4.2
125.09637	4.5
127.03928	15.1
128.06291	2.0
129.05507	5.0
129.07005	11.4
130.07791	1.9
131.08582	30.1
133.06520	3.2
133.10141	41.8
135.08102	5.0
135.11708	28.1
137.09642	2.5
141.07013	3.1
143.08566	10.8
145.04970	15.5
145.10135	22.2
147.11703	28.2
149.09648	13.1
149.13264	31.3
151.11176	3.4
155.08549	2.4
157.10138	8.4
159.11699	30.0
161.09654	3.8
161.13261	19.4
163.06084	9.5
163.11198	8.0
163.14828	5.1
165.09087	1.9
165.12822	1.6
169.10146	3.2
171.10274	2.6
171.11725	10.7
173.13245	11.2
175.11189	3.3
175.14867	6.7
177.12772	12.7
179.14349	4.9
181.10213	1.7
183.11746	2.9
185.13202	7.1
187.14789	2.4
189.11252	2.5
191.14293	2.2
193.12318	1.7
195.13820	9.0
197.13290	1.5
199.14868	5.7
213.16440	1.9
215.18031	2.2
217.16005	2.6
219.13760	2.7
227.12843	2.1
229.14359	2.7
229.19511	3.0
231.21121	2.9
239.18060	3.0
241.19576	16.3
245.13989	1.9
247.20749	1.9
249.14914	1.4
257.19113	5.0
259.20587	43.2
269.17496	86.3
270.17935	1.8
275.20078	19.1
277.21600	4.8
281.17661	1.5
333.24347	6.8
336.21750	1.4
349.23837	29.3
351.25339	78.0
352.25372	2.2
359.51254	1.6
375.25284	2.1
389.20963	1.3
395.19949	1.4
413.21808	2.4
429.26703	1.9
431.22745	1.9
441.26483	3.1
459.27719	3.4
477.28345	3.9
495.29547	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	726.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.01873	12.8
55.05513	34.5
57.03438	22.1
61.02922	12.1
67.05508	72.6
69.03433	13.4
69.07077	31.0
71.04990	9.3
72.08142	6.7
73.02937	6.4
78.77201	4.0
79.05499	62.8
81.03416	36.8
81.07064	83.0
83.04987	22.2
83.08622	19.5
85.02911	31.2
85.06552	7.6
91.03974	9.0
91.05489	51.8
93.07050	56.9
95.04970	17.8
95.08611	33.7
97.02896	18.6
97.06527	19.6
97.10179	14.9
99.08080	6.2
105.07024	54.6
106.95782	4.4
107.04978	9.6
107.08613	43.3
109.02847	5.5
109.06535	12.6
109.10158	26.0
111.04486	5.8
111.08065	12.0
117.07058	25.4
119.08604	43.0
121.06539	15.7
121.10140	30.4
123.11677	7.6
125.09644	10.6
127.03934	13.3
129.07011	9.1
131.08557	24.1
133.10123	36.3
135.08038	8.3
135.11723	27.9
137.05992	10.8
137.09624	5.3
137.34453	4.0
139.03880	10.5
143.08546	9.8
145.10147	31.2
147.08006	6.7
147.11705	21.5
149.09618	15.1
149.13289	9.1
151.07533	9.3
153.01845	14.8
157.10118	14.9
157.48048	4.8
159.11679	29.5
160.91068	4.2
161.13351	6.1
163.03978	5.2
163.11147	12.7
165.09111	5.8
165.12776	6.3
171.11638	5.4
173.11836	5.2
173.13255	12.9
175.11235	4.6
177.12770	15.7
179.10573	7.9
179.14400	5.5
181.12297	4.4
185.13293	6.9
191.10739	5.6
193.12248	15.9
211.13304	15.1
221.42090	4.7
227.12756	7.0
229.12328	4.6
229.14400	17.5
239.18013	6.3
255.15994	52.0
257.19040	11.9
267.15948	15.2
269.17484	79.9
275.20032	35.1
283.15332	8.8
285.17010	17.8
301.16656	5.4
309.20486	9.3
349.23703	100.0
351.21729	8.7
367.24796	38.0
439.26852	5.3
489.94516	4.4
493.28070	7.5
511.28763	17.8
726.35846	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	724.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70422	0.6
53.03944	2.4
55.01619	0.9
55.01869	6.4
55.05515	9.6
57.03445	5.2
57.07061	0.7
61.02932	5.8
65.03944	1.3
67.05510	30.9
69.03423	4.5
69.06728	0.9
69.07076	9.3
71.01357	0.7
71.05001	4.0
71.52126	0.8
73.02908	2.3
79.05495	20.1
81.03430	7.1
81.07059	35.6
83.04990	7.8
83.08628	3.0
85.02914	7.5
85.06551	4.5
87.04441	0.8
87.09365	0.7
91.03964	3.4
91.05485	30.2
93.07050	23.0
95.04969	6.9
95.08607	10.4
97.02904	3.6
97.06532	4.6
97.10143	1.2
99.04459	1.4
99.08105	0.7
103.03979	0.6
105.04475	0.9
105.07039	26.7
107.04973	6.0
107.08602	24.9
109.02887	0.9
109.06520	4.7
109.10162	34.2
111.04469	1.7
111.08069	2.4
113.05982	1.1
117.07037	5.1
119.08564	7.0
121.06503	4.3
121.10139	6.9
123.04500	1.1
123.08096	3.0
123.11709	6.1
125.05948	1.0
125.09652	1.2
127.03917	1.4
127.07539	1.7
128.06224	1.2
129.05441	1.5
129.07002	2.5
131.04973	0.7
131.08566	8.3
133.06512	4.3
133.10135	46.5
134.10483	0.9
135.08057	5.2
135.11673	3.4
137.09619	1.6
139.07547	0.8
143.08574	3.3
145.05011	0.7
145.10136	4.0
147.08052	2.5
147.11693	2.6
149.09616	6.6
151.11192	22.5
157.10091	2.5
159.08075	1.4
159.11687	1.4
161.09599	4.1
161.13281	1.8
163.06046	1.0
163.11179	1.3
165.09151	0.9
169.12257	3.0
171.11703	1.6
173.13274	0.8
175.11205	2.6
177.09116	2.0
177.12790	0.7
179.10724	1.2
181.10234	0.7
185.13226	1.4
187.11134	1.0
189.12814	0.9
193.12233	1.5
215.12778	2.4
217.12253	0.7
223.13185	1.0
227.17854	0.7
229.14522	1.1
237.16339	1.1
245.19002	2.2
253.14366	74.5
254.14720	2.1
255.17572	1.1
263.20111	2.7
267.16000	2.5
269.13867	2.5
271.15433	9.8
273.18509	9.6
285.17062	3.0
291.19583	14.0
309.16971	0.8
309.20587	1.1
347.22208	8.4
365.23248	100.0
366.23544	2.9
383.24545	3.4
459.27512	1.2
477.28079	1.5
527.28552	2.6
724.45203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.0
55.01860	8.9
55.05511	23.2
57.03437	17.7
57.07069	3.7
57.18980	2.4
58.67312	2.0
61.02932	40.2
65.03928	4.9
67.05508	64.6
69.03432	15.8
69.07075	32.5
70.16895	8.6
71.04970	5.9
73.02921	12.2
73.03275	2.2
73.37358	2.2
79.05496	69.6
81.03429	11.9
81.06590	4.7
81.07060	84.2
83.04996	15.2
83.08624	16.1
85.02908	58.0
85.06538	5.3
86.70849	2.3
91.03954	33.6
91.05485	61.9
93.07047	93.1
95.04986	13.4
95.05472	2.6
95.08609	41.2
97.02900	28.5
97.06549	19.6
97.10158	5.8
98.20779	2.7
99.04456	6.3
99.08104	7.9
103.03922	3.3
105.04533	4.0
105.07037	65.0
107.04948	7.9
107.08604	47.6
109.02884	4.0
109.06496	6.8
109.10169	13.8
111.04449	3.7
111.08078	8.3
117.07027	26.2
119.08590	48.7
121.06508	6.0
121.10148	32.3
123.08064	5.8
123.11737	3.0
125.09621	3.0
127.03913	22.8
128.06198	2.4
129.05501	4.1
129.06969	12.9
131.08577	30.3
133.09123	2.9
133.10135	51.8
135.08092	8.0
135.11699	23.3
137.09602	4.2
139.11226	2.8
141.06935	3.7
143.08553	9.1
145.04991	16.3
145.10135	19.0
146.10574	2.3
147.11699	37.8
149.09644	14.0
149.13249	32.1
151.11194	5.1
157.10120	11.2
159.11700	33.0
161.09587	4.6
161.13254	29.9
163.06026	14.7
163.11179	7.8
163.14825	6.9
165.08989	2.7
171.10332	2.9
171.11685	11.8
173.13228	16.4
175.14868	4.9
177.12729	13.3
179.14339	6.7
182.31027	2.1
183.11664	4.5
185.13274	9.1
195.13870	14.7
197.13213	2.3
199.14835	7.5
207.13791	2.2
213.16356	5.1
217.16002	3.6
219.13652	2.5
227.12630	4.1
229.19466	2.6
231.21074	7.1
239.17926	5.8
241.19534	18.3
247.20723	5.4
255.15808	2.9
257.18970	9.4
259.18033	3.9
259.20599	51.6
269.17499	93.9
275.20117	21.9
281.17422	4.2
297.11234	2.8
305.38040	2.2
333.24460	3.1
349.23752	26.2
351.25308	100.0
351.29651	5.0
387.25296	2.4
413.21487	2.8
417.26343	3.3
441.26233	4.3
456.09308	2.4
584.25970	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	724.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01882	4.1
55.05277	0.9
55.05518	12.9
57.03450	3.6
58.02426	0.7
59.04990	1.0
61.02927	4.9
65.03945	1.0
67.05512	19.8
69.03438	5.9
69.07071	19.1
70.06345	2.6
71.04977	1.7
73.02904	1.7
79.05074	0.9
79.05497	15.5
81.03421	7.1
81.07062	17.3
83.04991	3.6
83.08624	7.7
85.02914	6.5
85.06544	1.6
91.03953	2.8
91.05485	12.9
93.06485	0.9
93.07051	14.4
95.04977	4.9
95.08602	8.7
97.02901	9.7
97.06554	3.0
97.10178	10.4
98.21429	0.9
103.30733	0.6
105.07043	10.0
107.04958	5.0
107.08602	10.1
109.02905	0.9
109.06513	2.2
109.10158	7.3
111.04410	0.7
111.08105	1.7
113.05962	0.8
115.05433	0.7
117.07050	4.2
119.07921	0.7
119.08603	7.6
121.06519	2.4
121.10153	4.1
123.04522	0.8
123.08084	3.2
123.11715	1.2
125.09636	7.3
127.03927	2.0
128.06244	0.7
129.06966	2.9
131.08568	6.1
133.06523	3.0
133.10135	8.8
135.08067	4.0
135.11694	2.7
137.09607	1.5
139.03899	0.7
142.07753	0.7
143.08568	1.7
145.04951	1.1
145.10126	3.9
147.08066	3.9
147.11690	2.4
149.09641	2.0
149.13313	0.8
151.11171	2.9
153.09105	1.1
157.10095	2.1
159.08064	0.8
159.11705	2.0
161.09642	2.7
163.11163	1.7
165.09181	1.2
169.10156	0.8
169.12247	1.3
171.11723	1.2
173.09683	0.8
175.11230	2.7
175.42090	0.6
177.12732	0.9
181.10306	0.7
189.11224	3.7
189.12697	0.8
193.12273	5.3
195.13675	0.9
205.12259	1.3
211.13321	1.8
212.73376	0.6
215.12787	0.7
223.13301	13.8
227.12770	3.6
229.14258	0.8
233.15428	1.0
245.18904	0.9
249.15019	1.0
253.14359	3.2
255.17487	0.6
267.15982	2.1
271.15469	1.1
273.18481	7.8
285.16962	10.7
291.19559	59.6
292.19916	1.5
309.17032	0.7
347.22110	3.1
365.23254	100.0
366.23618	3.4
429.21124	1.3
477.28452	1.0
509.26691	1.0
527.28223	3.6
621.03046	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01865	3.4
55.05277	0.8
55.05518	12.3
57.03447	4.7
61.02932	4.2
62.71253	0.7
65.03941	1.1
67.05505	18.3
69.03432	6.5
69.06729	1.1
69.07074	14.4
70.28690	1.7
70.29052	1.7
71.04985	2.9
73.02921	2.0
79.05499	14.8
81.03418	9.1
81.07063	16.3
83.04987	3.9
83.05397	0.7
83.08619	8.8
85.02904	6.5
85.06534	1.9
86.09683	0.8
91.03947	4.2
91.05485	11.0
92.84039	0.8
93.07045	13.3
95.04969	7.0
95.08614	6.8
97.02905	8.8
97.06519	2.0
97.10169	8.9
99.04438	1.7
103.05456	0.9
105.07048	9.4
107.04967	4.8
107.08601	10.3
109.06529	2.2
109.10164	6.2
111.04417	1.1
111.08083	2.2
115.05525	1.0
117.07017	4.2
119.04961	1.2
119.08593	9.7
121.06512	3.1
121.10136	4.9
123.08074	2.6
123.11702	1.6
124.85806	0.7
125.09618	8.0
127.03905	1.6
128.06226	1.1
129.06998	2.6
131.08565	5.6
133.06487	2.5
133.10149	4.2
135.08014	2.1
135.11661	1.5
137.09602	1.9
143.08582	2.8
145.04941	1.4
145.06572	0.8
145.10107	4.8
147.08041	4.1
147.11682	3.6
149.09602	2.1
149.13300	1.0
151.11131	1.0
157.10101	2.7
159.11685	1.6
161.09612	2.2
163.06015	1.4
163.11220	2.2
165.09106	1.6
165.12831	0.8
171.10149	1.1
173.09685	1.3
173.11632	0.9
175.11208	2.8
177.12820	1.2
183.11613	1.0
185.13316	1.0
189.11258	3.8
193.12215	5.4
205.12215	1.1
211.13274	2.3
223.13312	11.7
227.12807	5.7
229.14291	2.0
233.15414	1.3
245.13857	2.2
245.19168	0.8
249.14886	2.0
255.17407	0.9
267.15900	8.8
273.18478	9.2
285.16971	14.1
286.17096	1.1
291.19537	78.3
292.19928	2.1
297.16663	0.9
301.16498	1.8
306.40384	0.8
347.22165	2.7
365.23245	100.0
366.23566	4.7
383.24164	1.0
459.27209	1.6
477.28497	3.1
495.29544	1.1
496.35239	0.8
527.29230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.4
55.05509	16.2
57.03452	6.0
57.73004	0.9
59.05020	1.2
61.02937	4.8
67.05507	22.1
69.03426	7.8
69.07069	20.1
70.06609	2.3
71.04999	2.1
73.02916	2.5
74.43739	1.0
79.05494	17.0
79.05915	1.3
81.03424	23.9
81.03866	1.6
81.07059	19.7
83.04972	6.8
83.08620	10.4
83.49873	0.9
85.02900	8.4
85.06581	1.6
91.03991	3.8
91.05481	15.5
93.07045	15.3
95.04966	10.7
95.08615	8.8
97.02912	7.6
97.06570	3.5
97.10175	11.1
105.07031	12.4
107.04941	7.3
107.08600	12.0
109.06556	2.7
109.10163	8.0
111.04482	1.8
111.08118	3.5
113.06041	1.0
117.07038	4.7
119.04985	1.8
119.08580	10.2
119.09239	1.0
121.06572	3.7
121.10155	7.8
123.08099	4.2
123.11739	2.0
125.09647	9.1
127.03922	2.3
128.06284	1.6
129.07066	4.3
131.08545	7.4
133.06537	3.0
133.10130	6.6
135.08075	3.5
135.11752	2.9
137.09669	2.3
139.00171	1.0
139.03903	1.7
143.08540	1.7
145.04906	1.4
145.10138	5.9
147.08044	5.7
147.11737	3.8
149.09682	3.5
149.13315	1.4
151.07600	1.3
153.01865	2.3
153.09117	1.2
156.95500	0.9
157.10153	4.9
159.11678	2.2
161.09663	2.8
163.06097	1.7
163.11249	3.4
165.09163	2.4
169.12259	1.1
171.10236	1.0
173.09637	1.7
173.11929	1.3
173.13339	1.3
175.11249	4.2
181.12399	1.0
183.11710	1.0
189.11301	3.8
193.12245	12.7
203.14351	1.1
211.13251	6.7
223.13280	9.2
227.12761	5.4
229.14413	2.5
233.15323	1.9
234.72447	1.1
249.14894	2.7
255.17516	1.0
267.15942	13.3
273.18533	10.0
283.15402	1.9
285.16959	11.7
291.19553	64.2
292.20071	1.8
301.16647	1.1
347.22119	5.7
365.23242	100.0
366.23679	4.2
367.03558	1.1
385.23935	2.8
429.21542	1.8
437.24988	1.4
459.27335	10.9
477.27979	18.1
492.95834	1.2
509.28070	2.0
527.28461	4.6
555.21802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.3
55.05513	19.4
57.03436	10.5
57.32224	1.4
61.02928	7.5
62.31952	1.3
67.05509	37.2
69.03448	6.7
69.07067	19.2
69.23959	8.0
69.24374	4.5
70.06594	2.0
71.04979	4.0
73.02917	2.8
76.42172	1.5
79.05492	28.8
81.03421	45.9
81.06594	2.2
81.07059	33.7
83.04980	10.2
83.08217	1.8
83.08625	18.5
85.02505	1.4
85.02921	12.7
85.06535	2.3
91.03948	4.5
91.05488	30.9
92.44094	1.3
93.07047	23.0
95.04968	25.1
95.08605	13.5
97.02911	9.2
97.06529	4.8
97.10182	10.6
102.36887	1.4
105.07034	21.0
107.04948	11.5
107.08601	22.9
109.02840	1.8
109.06515	5.7
109.10167	19.6
111.04448	3.8
111.08064	6.4
115.05390	1.8
117.07018	6.8
119.08590	19.5
121.06497	4.5
121.10141	10.5
123.08058	5.6
123.11704	3.2
125.09633	12.0
127.03912	4.4
127.07482	1.7
129.06989	7.5
131.08551	11.7
133.06474	4.6
133.10135	19.6
134.10463	1.8
135.08031	5.0
135.11682	6.1
137.09621	4.2
139.03902	2.7
142.07773	2.3
143.08531	3.7
145.04910	2.1
145.10104	8.1
146.10426	2.3
147.08052	6.1
147.11665	7.5
149.09576	8.3
151.11179	8.5
153.01802	2.1
157.10147	8.4
159.11691	3.2
161.09596	3.5
163.05917	2.4
163.11174	8.6
165.09111	4.4
165.12759	1.6
173.13170	1.7
175.11177	8.9
177.12703	1.9
189.11227	4.7
193.12244	20.3
211.13252	11.7
223.13257	6.3
227.12823	7.2
229.14417	3.8
233.15364	1.8
245.18950	1.9
249.14742	2.6
253.14348	16.8
262.03778	1.5
263.19818	1.6
264.52341	1.4
267.15924	35.3
268.16241	3.7
269.16666	2.1
271.15326	2.3
273.18430	13.3
283.15393	5.5
284.15640	1.6
285.16971	25.9
291.19553	71.1
301.16565	1.8
347.22186	5.4
365.23242	100.0
366.23676	3.5
367.22763	3.7
385.23904	6.7
403.25070	2.6
429.21127	1.9
431.14523	1.6
459.27414	26.0
475.26675	2.1
476.27121	4.1
477.28439	58.7
478.28671	2.2
527.28687	4.1
556.58881	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
53.36000	1.3
55.01877	2.5
55.05516	23.5
57.03437	6.5
57.07073	4.0
59.05005	1.6
65.03935	5.1
67.05508	72.4
69.03436	10.8
69.07067	15.3
71.04999	23.7
71.51199	1.3
71.51611	1.6
75.48048	1.2
77.85865	1.2
79.05498	44.3
81.03424	20.5
81.07063	100.0
83.04987	19.1
83.08632	9.8
85.02919	2.8
85.06536	8.0
91.04910	1.4
91.05483	37.2
93.07051	42.2
95.04976	5.0
95.08617	32.7
97.02884	6.0
97.06509	6.8
97.10161	4.6
99.04445	3.2
103.05479	1.6
105.07043	22.5
107.04940	3.1
107.08606	24.1
109.02888	2.1
109.06513	4.4
109.10158	19.1
111.04424	3.5
111.08067	2.4
113.06027	1.2
115.05480	1.3
117.07014	8.4
118.09110	1.2
119.08593	11.8
121.06447	1.4
121.10139	14.3
123.11722	13.4
125.09638	2.0
127.03919	2.1
128.06276	1.8
129.05498	9.7
129.07007	3.5
131.08572	13.1
133.10139	22.2
135.08086	1.9
135.11725	10.1
143.08551	3.0
145.06519	1.5
145.10107	7.2
147.11714	8.6
149.09584	1.8
149.13260	7.9
151.11174	6.3
155.08641	1.7
157.10136	3.6
159.11748	8.7
161.13287	3.8
163.14818	2.1
165.12801	2.3
169.10039	2.0
171.11670	3.9
173.04474	4.3
173.09621	1.4
173.13300	2.4
175.06071	1.4
175.11188	2.0
177.12764	4.2
181.10127	1.5
183.11710	2.1
183.13754	1.2
184.07370	1.6
185.13312	1.7
187.13303	11.2
187.14835	2.8
195.13895	2.6
201.14896	3.6
209.13341	2.0
225.12810	1.2
225.14865	2.4
227.16483	1.7
243.15942	5.6
257.17319	1.8
261.22217	3.8
269.17429	9.8
275.20084	1.6
275.23148	1.4
277.21634	2.0
293.21213	1.4
299.23740	1.4
317.24832	1.9
335.25870	17.9
369.24191	2.9
387.25455	2.2
413.21570	1.6
445.24011	2.5
461.29031	1.8
503.37375	34.0
504.37564	1.8
505.38943	12.3
517.38531	4.5
529.38831	10.1
561.41486	26.2
562.42010	2.3
611.46674	3.1
625.44720	2.1
629.40387	2.0
673.43060	5.3
705.45441	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	723.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10835	0.8
55.65951	0.7
56.71196	0.8
69.36509	6.5
70.06560	0.9
75.06271	0.9
81.07050	1.4
81.09499	0.8
98.21516	0.9
103.67632	0.9
120.04461	1.1
122.06065	1.2
134.06003	0.8
136.30707	0.9
139.60281	0.8
148.09782	0.8
152.07117	1.0
153.01839	1.7
158.72662	0.8
175.45659	0.8
194.08136	1.5
235.08629	2.4
236.09401	2.0
237.10231	3.6
238.10954	1.3
249.10271	16.6
250.10966	4.8
251.08095	1.6
251.11829	8.4
252.12605	1.5
263.08176	1.7
263.11835	1.6
264.08994	3.2
265.09756	11.7
277.09711	10.2
278.10486	11.9
279.07700	10.6
279.11298	23.2
280.11862	1.8
282.10004	1.5
283.10797	1.7
286.22150	0.9
289.09769	0.9
292.08444	2.3
292.11832	0.9
293.09332	2.1
293.12836	24.5
295.10730	2.4
295.14127	1.8
296.11743	1.1
297.12363	4.1
305.09177	7.5
306.09888	2.8
307.10748	10.6
308.11121	1.2
309.08865	1.6
309.12204	7.9
310.09528	2.7
310.13062	2.4
311.10254	8.6
311.13974	2.8
312.14905	0.9
313.15555	1.9
320.63855	0.8
321.12469	1.6
322.13104	1.1
323.10229	4.3
323.13770	1.9
324.11063	1.7
325.11847	13.7
326.12515	1.6
329.11526	1.4
330.16299	1.0
333.08630	9.1
337.11749	2.4
338.12567	5.2
339.13419	43.2
339.17554	2.0
340.13983	2.1
342.12494	1.5
344.13879	1.6
351.09814	20.2
352.10461	2.5
353.15002	11.9
355.12863	3.4
356.14069	1.7
357.14984	1.0
366.12125	24.7
367.12955	9.0
368.13654	1.4
369.10736	0.8
369.14618	6.9
370.15720	1.4
371.16019	3.6
373.18140	1.3
383.12265	3.1
384.13074	2.6
386.14621	2.0
397.14069	2.0
398.14801	13.9
399.15536	100.0
400.16367	4.4
402.14246	1.1
403.15448	1.1
414.14163	1.0
416.15738	1.1
426.14511	1.3
428.15927	1.7
442.17752	2.1
444.15353	1.8
445.15891	1.5
446.17191	1.1
454.13858	2.1
460.18491	3.0
472.15012	3.3
473.15790	8.3
474.16632	8.9
476.18155	1.6
477.18921	0.9
488.18326	1.1
492.17792	1.7
504.17407	7.1
505.18475	22.9
506.18796	6.1
523.19391	3.4
534.18744	3.3
540.23352	2.3
566.21344	70.3
567.22260	8.3
584.14160	1.2
584.22479	16.5
607.32056	1.1
641.22266	5.0
655.23413	1.6
673.25006	10.5
691.25824	3.0
723.28619	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75186	1.0
53.03939	2.6
53.24415	0.9
55.01874	6.8
55.05269	1.4
55.05515	16.6
56.36198	0.8
57.03428	2.6
57.07072	1.9
59.05001	1.2
60.64398	0.9
65.03932	2.9
67.05506	48.7
69.07067	17.9
71.05003	1.2
71.08627	4.3
71.25711	2.2
77.19784	0.9
79.05497	36.4
79.29980	0.9
79.32256	0.8
81.03437	1.9
81.07057	49.5
83.04984	3.7
83.08618	7.6
91.05486	28.2
93.07042	26.0
95.04970	5.0
95.08608	29.7
97.06532	9.9
97.10178	3.8
99.08102	2.3
105.07031	25.3
107.04948	6.7
107.08590	22.7
109.06519	4.5
109.10152	10.4
111.08090	2.5
113.00018	13.0
113.09653	1.0
115.05409	1.1
117.07049	7.4
119.08594	17.9
121.06505	1.8
121.10142	14.4
123.08083	2.8
123.11698	4.7
125.09637	4.2
127.11143	1.1
129.06981	3.8
131.08582	9.4
131.45660	1.0
133.10127	12.6
135.08080	2.8
135.11699	6.0
137.05997	2.8
137.09581	1.9
137.13312	1.3
143.08589	1.9
145.10117	10.2
147.08028	1.4
147.11708	8.3
149.09625	7.9
149.13260	3.2
151.11195	3.0
155.08524	1.1
157.10089	2.3
159.11697	7.0
161.09653	1.1
161.13245	5.0
163.11203	3.9
163.14885	1.1
163.40939	1.0
165.09184	1.1
165.12749	1.1
169.02585	6.8
169.10120	1.5
171.11694	3.1
173.11800	1.1
173.13260	3.8
175.14859	1.8
177.12767	1.8
179.14313	3.2
183.11780	1.6
185.13272	1.4
187.11203	1.0
187.14899	1.2
189.11145	1.7
197.13321	1.3
205.12091	1.2
219.17317	1.3
227.12830	1.5
229.19533	1.5
239.17883	2.0
241.19563	1.4
247.20543	2.2
257.19028	4.1
259.20468	1.5
263.23605	1.9
273.18533	1.5
275.20078	44.5
277.18011	3.1
277.21661	6.4
293.21188	7.0
313.21732	1.3
331.22745	1.4
337.27280	5.0
349.23672	5.7
351.25284	1.7
382.34399	1.1
491.79376	1.1
510.51996	0.9
593.45703	1.3
595.46759	1.0
611.46716	100.0
612.46881	5.2
723.45343	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	721.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42561	2.0
53.03934	10.3
55.01866	6.4
55.05311	2.1
55.05514	22.5
57.03451	12.0
65.03938	5.4
67.05508	77.2
69.03419	4.8
69.07072	14.4
70.49611	2.2
71.00802	4.9
71.04994	2.5
71.44463	2.5
72.09207	2.0
76.13206	2.1
79.05498	80.1
81.03438	11.1
81.06592	3.8
81.07057	72.9
83.05000	12.5
83.08617	8.6
85.02934	2.7
86.09713	2.9
91.05482	64.2
93.06488	4.4
93.07050	75.9
95.05000	12.2
95.08059	3.7
95.08608	44.8
97.06519	5.7
97.10143	6.2
100.99212	2.2
105.04514	3.4
105.07039	44.5
107.04958	5.3
107.08605	31.2
109.02813	3.0
109.06530	3.7
109.10165	14.0
111.08028	2.8
115.05515	2.8
117.07028	15.6
119.08601	31.3
121.06512	3.5
121.10130	17.9
123.08092	5.4
123.11678	3.4
129.07007	12.0
131.08568	13.4
133.10120	12.4
134.19101	2.1
135.08061	2.8
135.11696	10.6
138.18626	2.8
143.08539	8.1
143.50285	2.3
145.10109	11.5
147.08052	4.3
147.11702	27.1
149.13287	6.8
159.11688	7.2
161.09512	4.1
161.13268	8.0
169.10141	3.0
171.11705	20.5
173.13261	6.8
175.31966	2.6
177.12694	3.6
184.07391	3.7
189.12753	8.2
207.13820	19.5
225.14807	4.8
261.22122	9.2
275.19958	3.9
281.17523	36.2
291.19409	3.9
317.24963	3.4
335.25876	19.3
407.83765	2.3
492.06018	2.8
541.38959	100.0
542.39087	2.4
543.16235	2.3
548.72461	2.3
609.45081	2.7
685.41730	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.5
55.01842	3.6
55.05521	23.4
57.03421	12.0
57.07070	3.7
65.03938	4.4
67.05506	88.9
69.07072	21.3
71.04980	4.3
72.52225	3.2
79.05494	100.0
81.03425	5.5
81.07058	74.0
83.04971	14.5
83.08617	7.2
85.06509	4.5
91.05486	78.0
93.07050	79.4
95.04967	17.0
95.08602	52.6
97.06511	5.5
98.21638	5.6
105.04508	4.2
105.07030	46.9
107.04977	5.0
107.08588	28.3
109.06532	8.2
109.10151	11.8
112.65427	3.0
117.06979	15.2
119.08601	30.1
121.10146	18.3
123.08066	7.6
129.07004	13.5
131.08563	14.9
133.10120	14.0
135.11681	12.7
141.06923	3.2
143.08575	11.9
145.10133	15.6
147.11693	35.3
159.11714	9.5
161.13261	14.9
171.11702	25.1
177.04678	3.3
189.12775	8.6
207.13855	19.5
261.22162	9.2
279.15887	5.3
281.17474	87.8
282.17883	4.1
335.25745	41.9
474.05261	4.2
541.38934	92.6
542.39050	7.0
609.45001	6.9
721.50208	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	722.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01871	2.9
55.05515	8.3
57.03438	8.6
58.30914	1.2
61.02914	1.5
66.55313	1.4
67.05504	13.8
69.03429	2.7
69.07066	5.1
70.06573	3.3
71.04984	3.3
71.51126	1.7
73.02934	2.1
79.05493	18.9
81.03424	55.8
81.07060	19.3
83.04975	6.3
83.08630	14.9
85.02939	3.3
91.05479	15.9
93.07054	27.4
95.04971	16.5
95.08607	25.6
95.09176	2.2
97.02898	7.4
97.06516	2.2
97.10181	2.8
99.04488	3.0
105.07036	13.2
107.04978	8.4
107.08608	21.3
109.06501	3.6
109.10168	4.5
111.04441	3.3
111.08060	4.6
117.07048	6.2
119.08589	17.3
121.06526	4.7
121.10139	15.1
123.08063	1.5
125.06004	2.5
128.07109	2.5
129.07018	6.1
131.08571	6.3
133.06485	1.6
133.10132	4.7
135.08075	2.7
135.11694	36.5
139.07646	1.8
145.10110	18.9
147.08012	2.1
147.11697	5.3
149.09634	4.7
153.01808	4.9
155.08649	1.3
157.10168	5.4
163.11189	51.5
165.12827	2.3
175.11246	6.0
181.12236	6.5
185.75714	1.4
193.12251	14.8
209.11726	1.7
211.13393	2.4
217.13576	1.5
227.12796	46.5
267.15930	100.0
268.16388	2.1
283.15405	65.0
295.79425	1.7
475.26944	100.0
476.27182	3.0
560.35498	5.0
722.41583	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	721.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.9
53.03944	7.2
55.01871	8.0
55.05518	24.3
57.03440	4.3
57.07077	3.7
60.37112	2.1
65.03939	2.3
67.05177	3.3
67.05511	49.5
69.03449	3.0
69.07073	19.7
69.27472	9.0
69.27908	8.0
71.05004	2.3
79.05500	63.1
81.03430	4.1
81.07062	50.2
83.04998	3.9
83.08607	9.7
91.05488	44.9
93.07051	50.1
95.01318	2.8
95.04975	7.7
95.08621	29.3
97.06524	9.3
97.10181	3.7
103.05480	2.2
105.06396	3.3
105.07045	40.3
107.04965	17.8
107.08606	32.4
109.06451	4.2
109.10162	14.2
111.08077	4.5
113.00041	22.7
115.05468	2.9
117.07014	10.9
119.08585	26.0
121.06524	3.1
121.10159	17.8
123.08018	2.5
125.09646	2.1
129.07047	5.0
131.08560	15.6
133.10147	22.5
135.08069	3.6
135.11702	7.7
141.90642	1.9
143.08553	4.5
145.10133	15.3
147.11716	13.2
149.09645	12.8
149.13298	3.7
157.10141	4.6
159.11732	10.5
161.09650	2.3
161.13254	6.2
163.11211	7.2
169.02635	5.2
169.10159	3.5
170.59433	1.9
171.11705	4.5
173.13251	5.2
179.14259	3.0
183.11702	4.7
185.13248	3.4
187.11227	2.3
219.17451	2.3
229.19554	3.2
247.20479	2.8
257.19046	7.8
273.18402	2.9
275.20084	62.3
276.20279	2.1
293.21179	8.5
331.22855	3.0
335.25821	6.9
349.23764	6.5
361.32980	2.6
609.45160	100.0
610.45575	5.1
644.65485	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	9.3
55.01874	6.8
55.05513	30.5
55.05762	3.3
57.03441	11.4
57.07080	4.7
59.05005	1.7
61.02928	4.6
65.03938	3.3
67.05508	79.2
69.03436	17.6
69.07076	25.8
69.84127	7.3
71.04995	29.3
73.02918	4.9
77.03886	2.2
79.05496	61.9
81.03423	31.5
81.07061	100.0
83.04987	14.0
83.08621	12.6
85.02921	8.3
85.06552	12.1
91.05483	71.3
92.30137	1.6
93.07047	59.4
95.04973	11.9
95.08609	42.3
97.02886	16.6
97.06531	11.7
97.10172	5.8
98.21053	3.1
99.04462	8.5
99.08096	2.5
103.03967	1.7
103.05465	2.0
104.88409	1.6
105.04572	2.3
105.07037	56.9
107.04949	6.3
107.08595	32.4
109.02882	7.3
109.06509	7.4
109.10161	17.3
110.49533	1.5
111.04437	5.4
111.08060	5.3
113.06050	1.7
113.09634	2.2
115.05467	3.6
117.07027	21.6
119.08585	42.0
121.06511	1.9
121.10142	24.5
123.08080	4.5
123.11723	13.7
125.09666	2.5
127.03920	6.1
127.07632	2.4
128.06224	3.1
129.05504	3.4
129.07011	16.6
131.08572	32.2
133.10136	33.8
134.10480	1.9
135.04471	1.9
135.08087	4.1
135.11690	16.9
139.11168	2.2
141.07021	5.4
142.07802	4.9
143.08560	16.9
145.06442	3.1
145.10130	26.9
147.08046	3.1
147.11710	27.0
149.09599	6.2
149.13263	13.2
151.07671	1.6
151.11186	6.5
155.08575	12.5
157.06557	2.4
157.10153	15.1
159.08080	4.5
159.11705	22.5
161.09695	4.3
161.13326	12.4
163.11261	3.4
165.12741	4.8
167.08601	5.6
169.10130	9.2
169.12312	2.1
171.08049	1.9
171.11707	15.1
173.04488	12.0
173.09615	2.3
173.13286	13.1
175.11197	6.0
175.14870	5.7
177.12842	2.3
179.08598	1.9
181.10127	4.7
183.08000	2.6
183.11685	8.3
185.09616	2.2
185.13304	10.4
187.13292	5.0
187.14873	5.6
189.12686	3.6
193.10199	2.5
193.12265	7.4
195.11710	2.9
195.13812	3.1
197.13293	5.8
199.14856	3.8
201.14850	3.2
203.14352	1.9
207.11786	2.2
209.13245	4.6
211.14917	3.6
213.12723	2.6
213.16490	3.8
217.19521	1.8
221.13258	2.3
223.14955	3.9
225.14677	3.8
225.16602	2.2
227.16338	3.5
229.14221	3.0
233.09546	1.6
235.14783	2.0
237.12688	2.2
239.17934	3.0
241.19540	6.7
243.15916	6.0
253.19656	2.4
257.17154	3.6
257.19424	4.0
259.20743	12.0
261.22131	5.8
267.16083	5.5
269.17493	6.8
273.02127	1.8
273.18677	2.8
275.20163	8.5
283.20703	2.6
285.22021	2.4
291.19626	2.6
299.18445	3.3
301.20313	3.7
311.23834	1.9
313.21664	3.2
315.23123	2.7
317.24661	2.7
321.22305	2.2
333.24304	6.5
335.25754	2.8
337.21503	2.1
367.22659	3.9
385.24039	2.7
393.31436	2.7
409.31110	2.3
411.32761	3.1
413.21945	4.4
435.32452	4.5
485.36334	3.3
501.35880	24.1
503.37341	62.4
504.37448	3.3
527.37360	35.0
528.36603	2.2
529.38916	2.3
533.38422	3.3
541.35596	2.4
543.36499	1.9
559.38959	5.7
635.39594	1.9
653.40289	4.8
660.22632	1.8
667.41357	4.6
671.41016	4.3
685.42352	2.5
689.42670	8.7
703.44513	7.8
721.43390	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	720.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.8
55.05515	17.6
57.03422	10.9
57.07079	37.3
58.37562	2.3
59.19610	2.3
61.02921	3.9
63.91134	2.1
67.05502	31.1
69.07069	22.3
69.92214	2.6
69.92527	14.7
71.04983	5.5
71.08639	24.7
79.05497	17.2
81.07059	99.4
81.44718	2.4
83.04958	7.3
83.08634	18.2
83.29506	2.3
85.02908	4.1
85.06554	5.3
85.10195	15.4
89.06010	3.1
91.05494	23.1
93.07058	14.8
95.04981	3.7
95.08612	42.9
97.02883	3.5
97.06519	9.6
97.10150	6.4
99.08094	2.8
105.07039	38.6
107.08576	11.3
109.06524	6.1
109.10163	8.5
119.08574	27.5
121.10145	18.1
123.08066	4.5
123.11708	33.3
147.11690	58.0
157.10144	4.2
165.12747	23.9
229.14413	4.6
239.23695	2.7
257.24719	2.9
259.46869	2.3
267.13031	3.0
267.15936	95.0
285.16977	98.8
313.05170	2.4
313.27374	100.0
314.27655	3.0
356.36139	2.7
523.39978	94.8
524.40521	3.8
623.27838	3.7
721.33765	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	3.6
51.04587	3.5
53.03938	15.3
53.14075	3.4
55.01865	11.7
55.05518	34.2
55.44153	3.4
57.03436	10.3
57.07077	5.1
61.02921	10.0
65.03930	6.0
67.05179	5.6
67.05511	86.6
68.05821	4.5
68.98633	3.5
69.03414	14.9
69.07066	26.1
71.05002	17.9
71.51419	5.1
77.32787	4.0
79.05499	84.6
79.08062	3.2
80.86141	3.4
81.03424	38.7
81.07063	100.0
82.07375	4.1
83.05000	19.3
83.08601	14.9
85.02890	15.2
85.06521	5.5
91.05491	93.2
93.07047	82.0
94.07375	4.5
95.01332	4.7
95.04967	22.3
95.08625	48.1
97.02894	13.8
97.06538	15.1
97.10160	12.1
97.51203	3.5
97.57355	4.2
99.04467	4.4
103.05482	3.9
105.07040	86.6
107.04942	11.4
107.08613	35.2
109.02882	6.9
109.06512	12.7
109.10184	23.8
110.10492	4.3
111.04424	4.6
117.07036	30.5
119.08597	57.8
121.06513	10.6
121.10120	18.8
123.08116	10.1
123.11691	4.9
125.09610	5.8
127.03905	7.4
128.06224	5.6
129.07065	23.8
131.08580	40.6
133.06485	4.0
133.10139	36.5
135.08087	10.1
135.11705	19.8
137.09584	4.5
139.03990	3.7
141.06911	6.1
142.07710	5.2
143.08577	23.0
145.06482	8.0
145.10121	30.7
147.08060	6.1
147.11711	42.4
148.12016	4.6
149.09624	9.0
149.13261	5.4
155.08539	14.9
157.10138	16.5
159.11729	25.9
161.09586	9.0
161.13307	19.1
163.11266	5.7
167.08560	8.7
169.10144	18.1
171.11702	26.9
172.11993	4.0
173.13222	11.1
175.14870	8.5
177.12692	6.1
179.14250	6.1
181.10150	8.7
181.12236	4.7
183.11717	15.7
185.09679	3.6
185.13260	13.5
187.11206	7.1
187.14812	6.3
189.12701	6.4
195.11798	9.0
197.13191	13.4
199.14822	4.4
207.13782	6.9
209.13353	5.3
211.15031	5.0
223.14873	5.7
227.12721	9.1
231.20929	4.7
239.17949	5.2
241.19531	12.1
259.20532	22.9
275.20218	30.9
276.20395	6.5
279.15982	7.0
281.17471	34.4
331.22836	4.1
333.24237	10.2
447.32465	9.5
465.33505	12.5
483.34430	5.9
521.36450	7.1
529.39099	6.0
539.37366	63.5
540.37848	4.9
557.38593	40.0
701.41565	11.8
719.43402	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	718.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55433	0.6
53.03909	0.7
55.05506	1.7
57.03455	0.7
57.07080	54.8
59.05003	14.2
67.05500	1.1
69.07078	1.3
69.78587	3.7
71.08636	49.2
73.02927	1.1
73.06557	3.4
79.05505	1.9
81.03410	0.7
81.07046	1.5
83.08628	2.2
85.09661	1.5
85.10188	47.9
87.04472	15.0
89.06037	100.0
91.05523	1.1
93.07044	1.1
97.10181	1.3
99.11747	5.5
103.07575	7.3
105.07056	0.9
107.07072	1.5
109.10130	0.8
109.76537	0.6
117.09155	5.0
119.08613	0.9
121.06471	1.0
130.08638	1.6
131.07050	5.7
133.08612	74.0
141.16396	4.6
161.11798	1.4
175.09674	5.2
177.11240	28.7
199.20540	4.0
219.12297	1.8
221.13834	5.7
239.14943	0.9
243.23209	4.2
247.21991	0.8
265.16574	1.9
283.17572	1.3
309.19131	1.5
415.25827	1.2
425.29529	0.7
459.28384	1.5
503.30664	6.2
511.31940	0.7
543.33722	1.5
657.77606	0.9
718.53314	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61374	3.3
53.03938	11.5
55.01881	7.6
55.05511	32.8
57.03432	17.1
61.02925	15.5
67.05507	81.1
69.03434	7.5
69.07072	24.0
71.04974	9.2
73.02907	3.9
79.05074	5.7
79.05500	81.4
81.03416	15.6
81.07059	82.3
83.04977	16.5
83.08611	14.8
85.02905	16.1
85.06534	4.6
87.57994	3.3
91.05489	94.2
93.06486	6.0
93.07050	91.1
95.04980	20.6
95.08612	49.6
97.02917	8.3
97.06551	12.7
97.10178	7.7
98.20756	10.5
98.21470	13.6
105.04556	6.2
105.07035	92.1
107.04966	10.3
107.08623	39.3
109.02805	4.1
109.06535	5.9
109.10163	17.6
115.01295	3.3
115.05492	4.9
117.07048	24.3
119.08583	59.3
121.06493	4.3
121.10154	22.3
123.08058	7.2
128.06244	5.8
129.07014	25.3
130.07790	3.7
131.08569	38.4
133.10136	43.3
135.11662	10.2
141.07031	6.4
143.08614	19.8
145.10139	39.1
147.08104	5.5
147.11687	51.6
149.13240	8.8
155.08575	12.6
157.10121	20.0
159.11722	22.3
161.09714	4.8
161.13243	38.1
163.14819	4.6
167.08551	8.5
169.10199	18.4
171.11703	37.1
173.13278	20.9
175.14870	12.1
179.08574	4.6
181.10159	9.0
183.11694	13.5
185.13274	18.3
187.14894	5.2
189.12746	8.5
195.11720	12.1
197.13289	14.9
199.14874	9.3
207.11981	4.6
207.13766	21.4
209.13261	10.8
211.14857	8.9
216.06764	3.7
223.14816	5.2
231.21100	5.7
237.16278	6.0
241.19499	27.3
259.20581	54.2
275.20279	5.8
279.15857	11.0
281.17490	48.8
315.23093	4.5
333.24338	17.8
339.23108	5.3
341.18350	4.2
349.82767	4.0
429.31378	6.4
437.34213	6.5
447.32571	16.7
450.59280	4.0
465.33713	17.7
483.34787	11.2
521.36450	13.8
523.02026	4.3
529.38556	5.6
539.37384	100.0
540.37531	5.7
557.38318	57.4
701.42169	13.7
719.44434	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	718.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50874	0.9
53.03940	1.5
55.01870	2.5
55.05312	0.9
55.05513	10.2
57.03434	7.0
57.07080	29.4
58.14581	0.9
61.02920	1.9
62.82599	1.0
65.15850	1.0
65.65031	1.2
67.05503	17.4
69.03406	2.0
69.07074	10.0
69.11507	1.0
71.04974	1.8
71.08292	1.3
71.08639	19.5
73.02930	1.4
79.05070	1.3
79.05497	16.2
80.98754	1.2
81.03426	2.2
81.06593	1.7
81.07056	22.3
83.04973	1.3
83.08155	1.1
83.08627	13.9
85.10188	10.6
89.06049	5.5
91.05478	6.9
92.54049	1.1
93.06480	2.1
93.07040	24.0
93.31528	1.0
95.04955	4.2
95.08611	40.7
97.02865	3.5
97.06532	2.7
97.10178	5.1
99.04446	3.4
105.07048	6.5
107.05000	5.3
107.08591	17.6
109.10168	7.6
111.04405	1.2
117.06996	4.8
119.08592	8.1
121.06480	5.6
121.10162	10.5
123.11723	2.5
125.05975	2.9
129.07014	1.4
130.07803	1.7
131.08595	1.2
133.08607	1.5
133.10100	2.1
135.08064	1.6
135.11687	39.7
139.07527	2.1
143.08582	1.1
145.10118	19.7
163.11183	49.2
167.08597	1.2
181.12263	8.9
209.11679	1.6
227.12794	62.6
239.23715	1.8
257.24722	2.0
260.52396	1.2
283.15399	89.1
284.15686	1.2
313.27365	96.2
314.27725	3.0
486.03259	1.1
513.38617	1.3
521.38416	100.0
522.38342	4.9
622.27460	2.9
701.47632	1.3
718.46869	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31538	1.2
53.03942	1.3
54.45208	1.0
55.05521	10.4
56.05029	3.8
57.07063	5.0
60.04529	18.7
60.74173	1.1
65.03956	1.0
67.05505	21.5
69.07065	13.8
70.06587	2.3
71.08625	4.0
79.05492	16.5
81.07060	17.3
83.04977	2.4
83.08610	8.6
85.10173	2.3
89.05966	1.0
91.05478	4.8
93.07045	15.7
95.08613	17.2
96.08130	2.2
97.06515	1.6
97.10191	6.5
100.07632	1.3
105.07051	2.5
107.08601	8.9
109.10170	8.8
112.65199	1.1
113.00060	1.4
115.05833	1.0
119.08549	1.2
121.10152	12.2
135.11705	6.6
146.68968	1.1
149.13266	1.9
149.24638	1.0
196.92035	1.1
203.06868	1.1
247.24141	3.2
264.26883	8.2
272.25797	5.7
282.27936	14.3
288.29343	1.0
306.28012	1.2
313.27213	1.2
356.11563	1.1
490.48917	1.3
518.49207	3.5
536.50403	100.0
537.50562	3.9
554.51544	22.5
573.48474	3.5
604.47046	1.6
740.76477	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06783	0.6
53.03946	2.1
55.01860	0.7
55.05518	9.1
56.05042	3.9
57.03405	0.7
57.07078	6.1
60.04530	22.8
67.05508	19.4
69.06725	1.2
69.07072	13.9
69.22151	6.9
70.06600	3.4
71.08625	3.0
79.05494	15.4
81.07061	18.4
82.06561	1.1
83.04971	0.7
83.08627	10.5
84.08146	0.8
85.02885	0.8
85.10178	1.6
86.06057	0.8
89.06037	1.1
91.05482	4.4
93.07050	17.2
95.04971	1.1
95.08615	16.5
96.08119	2.4
97.06561	1.6
97.10173	7.1
100.07643	1.0
105.07040	1.5
107.08600	9.0
109.10153	7.1
109.10777	1.1
111.08087	0.8
111.11717	1.2
121.10146	14.1
123.11708	1.7
133.08611	0.8
135.11685	6.0
137.13336	0.8
148.24004	0.7
149.13292	2.7
163.14897	0.8
182.19130	0.9
186.04222	0.8
219.78906	0.7
247.24222	1.4
252.26830	1.4
262.25284	2.3
263.25662	2.0
264.26883	13.0
266.96786	0.7
272.25848	7.4
282.27917	15.1
300.29218	0.7
314.26978	0.9
376.55936	0.7
462.35223	0.7
488.47925	0.8
495.83459	0.7
518.49341	5.6
536.50409	100.0
537.50879	4.7
554.51538	22.0
554.59064	0.6
573.48706	1.2
604.46582	2.3
624.45551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	5.7
57.03425	2.4
57.07077	98.7
59.05002	54.6
62.13535	1.3
66.58134	1.1
67.05492	3.5
68.74879	1.1
69.07067	5.9
71.08634	100.0
71.51814	1.7
71.52172	1.3
79.05498	2.6
81.07059	6.6
83.08617	8.8
85.10184	87.8
87.04467	6.7
89.06036	36.5
91.05481	2.3
93.07043	2.7
95.08624	5.9
97.06543	1.7
97.10157	3.3
99.08105	2.7
99.11732	11.8
101.06004	1.4
101.09642	3.9
103.07614	2.6
105.07031	1.6
107.08590	1.9
109.10130	1.3
111.11753	1.9
117.09132	20.6
119.08604	1.4
121.10120	2.8
121.17551	1.2
123.08123	1.2
123.11714	5.9
133.08611	26.2
133.10124	1.3
133.27322	1.2
135.10178	1.3
141.12671	2.5
141.16367	11.2
159.13866	6.2
177.11200	9.3
184.07381	3.1
199.20578	22.0
221.13838	2.4
235.20596	2.3
240.23367	1.5
253.21664	2.1
257.24750	29.9
279.15948	1.3
315.29001	2.8
327.20078	7.4
385.24405	2.7
411.34717	4.6
443.27670	1.3
477.33881	1.2
484.28513	1.3
544.67255	1.5
611.94629	1.3
661.50861	1.2
716.55731	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78095	0.5
67.05500	0.6
69.07110	0.4
69.65774	0.5
71.50999	0.5
74.09720	0.4
81.07065	0.5
85.02885	0.9
91.05450	0.6
95.08619	0.6
97.06540	0.4
105.07024	0.5
121.10192	0.6
127.03828	0.6
132.88435	0.4
135.01001	0.4
139.03880	0.5
146.65601	0.4
153.01859	0.5
156.51414	0.4
157.04713	0.5
171.25143	0.5
185.04253	3.5
201.03732	1.4
203.05363	0.7
259.07968	0.8
275.07477	0.8
289.62421	0.5
319.10114	0.6
331.09995	3.3
347.09583	3.9
363.08923	2.9
383.90344	0.5
391.24789	0.6
415.19363	0.7
417.99823	0.5
421.13251	0.6
437.12997	1.3
455.22696	1.1
471.09952	0.6
483.22272	2.3
493.15323	5.2
507.16867	1.5
521.18427	1.0
535.20325	1.0
549.20941	0.5
553.29901	13.0
577.24426	2.3
581.56213	0.5
617.27179	1.1
645.27570	1.1
715.35132	100.0
716.35718	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	715.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57027	0.3
59.12199	0.3
59.26876	0.3
60.18011	0.3
67.05511	0.4
70.23167	0.9
79.05511	0.4
81.07066	0.5
83.01127	0.9
91.05518	0.4
93.07073	0.5
95.04973	0.3
97.02673	0.5
101.96622	0.3
105.07072	0.4
107.08623	0.4
109.10197	0.4
117.67335	0.3
125.02108	0.3
136.12634	0.3
139.03793	0.4
144.07945	0.3
145.10109	0.4
156.03922	0.4
157.04837	0.5
161.55281	0.3
185.04288	2.2
201.03688	2.1
203.05284	2.6
249.74477	0.3
257.06369	0.6
259.07858	2.2
262.00684	0.3
305.08365	0.6
317.08673	0.6
319.10168	1.7
331.10077	2.2
345.11523	0.4
347.09683	3.0
363.08908	2.2
365.10611	4.1
373.14883	0.5
391.24728	0.5
415.19485	0.7
421.13132	2.3
437.13062	0.9
455.22623	0.4
463.13974	0.4
483.21756	2.1
493.15314	3.6
507.17105	0.7
521.18475	1.0
533.90369	0.4
535.20129	1.1
535.28076	0.4
553.29846	11.6
554.30420	0.5
563.23224	0.8
577.24658	1.6
617.28278	0.8
645.27502	0.7
715.35132	100.0
716.35468	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	713.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04906	0.5
55.55247	0.7
70.06594	0.9
81.07072	1.2
91.05479	2.4
93.07065	3.2
94.06582	1.5
95.08592	0.7
105.07118	0.6
106.06529	0.6
107.08598	1.1
108.08147	1.8
109.06531	1.2
110.06049	1.0
111.08088	3.4
115.08676	0.7
119.04932	0.6
120.04504	2.0
120.08077	0.8
121.06535	2.1
122.06046	1.6
123.04406	0.8
132.08124	0.6
134.09694	1.8
135.08098	0.9
136.07620	4.3
138.09103	0.8
140.07066	1.4
148.07571	0.8
149.06146	0.6
150.09093	1.3
152.07076	1.5
152.10721	2.1
153.01907	2.8
154.08633	1.1
162.09149	15.4
163.07547	1.1
166.08626	1.6
168.10217	2.9
172.07579	0.6
178.08720	1.0
180.10207	12.0
182.08267	0.9
184.07639	0.7
190.08693	3.3
194.08128	0.7
196.56467	0.6
198.07845	0.9
199.08725	1.3
200.09340	1.2
201.10281	1.6
208.09697	26.7
211.08760	0.8
212.07072	1.0
212.09186	0.8
213.06419	0.8
213.10298	1.6
215.08145	3.1
215.11711	0.8
218.08168	1.6
225.06807	1.2
225.10318	1.0
227.08145	2.6
228.08919	1.4
229.09702	3.3
230.08322	1.0
230.10518	0.8
235.08873	0.9
237.10118	0.8
239.08247	2.9
240.08917	0.7
241.09760	1.8
243.07750	3.0
243.11417	2.5
245.09235	1.0
248.09317	1.5
249.10216	0.8
250.10750	3.2
251.08267	1.4
253.09801	1.9
255.07776	1.6
255.11340	1.0
257.09241	7.4
258.10065	3.1
261.12488	0.8
265.09827	1.6
267.07828	1.9
267.11176	1.8
269.09357	0.9
271.10840	3.4
273.09442	0.6
273.12485	2.2
276.08649	3.3
279.07858	1.3
281.09256	3.1
283.10504	1.0
285.08743	4.9
285.12347	2.3
287.10294	1.0
288.11783	0.7
289.11856	9.6
291.07993	0.7
293.09326	2.5
295.10858	1.3
297.12524	0.7
299.10257	3.9
302.09073	1.4
303.13480	1.6
311.10251	2.2
313.11880	1.2
315.09955	1.9
315.13535	0.8
316.10519	5.1
317.11343	63.8
318.11755	1.3
319.12857	0.8
325.11917	1.7
327.09833	1.6
329.11301	1.1
339.09848	1.2
341.11298	1.2
342.12085	1.7
343.13031	2.0
349.14072	3.5
353.11127	0.7
355.13110	2.1
369.10782	1.2
371.12302	1.0
373.14160	1.3
383.12408	3.7
385.13977	1.0
386.14996	1.6
414.14572	2.0
424.15015	0.7
428.16104	0.8
430.84790	0.6
446.17303	0.9
456.15695	0.7
474.16852	5.3
478.19977	1.1
480.21121	0.8
482.19379	0.8
492.17816	3.2
496.20401	0.8
504.16022	0.7
506.19385	4.7
519.21466	0.7
519.84485	0.7
524.20325	100.0
525.20526	4.3
529.83746	0.7
538.21960	0.9
542.21387	3.1
553.94171	0.6
556.22955	34.4
557.23456	0.8
631.23950	3.9
649.24872	1.4
663.26190	1.1
727.57416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
66.28193	1.2
67.34428	1.2
70.79652	2.6
77.07941	1.0
84.76479	1.0
87.58822	1.0
91.05453	1.7
93.07050	2.4
94.06586	1.2
101.82072	1.0
107.42620	0.9
108.08109	2.5
111.08099	2.8
120.08134	1.2
122.06059	2.6
124.07597	1.1
132.08128	1.1
134.09642	2.3
135.08005	1.0
136.07576	3.6
140.07080	2.8
152.07004	4.9
152.10704	2.0
154.08659	1.5
162.05515	1.3
162.09138	13.6
166.08713	1.8
168.10246	1.9
178.08580	1.4
180.10225	11.3
182.08112	6.6
187.08615	1.4
190.08626	1.9
194.08092	4.5
196.83369	0.9
199.08636	1.0
200.09250	2.0
201.10277	1.5
204.06544	2.2
208.09709	23.6
212.09212	3.6
213.10153	1.5
215.08218	4.2
218.08185	1.7
222.11191	1.2
227.08199	3.2
228.08861	1.4
229.09682	5.0
230.10422	1.3
234.07722	1.1
239.08171	2.4
241.09731	2.1
243.07721	3.5
243.11168	3.2
250.10754	3.8
255.07628	3.1
255.11261	1.4
256.08478	1.2
257.09262	9.8
258.09915	5.6
259.10776	1.1
267.07620	1.5
269.09116	1.4
271.10846	3.1
272.11609	2.1
273.12415	4.7
276.08661	4.7
279.07599	1.2
283.07416	1.2
283.10815	1.4
285.08783	7.3
289.11792	8.6
295.10822	1.9
299.10339	3.7
301.11938	1.4
302.08972	2.3
309.08789	2.1
311.10229	1.3
315.10001	1.2
315.13391	1.6
316.10681	8.5
317.11353	75.7
319.12976	1.3
327.09589	1.2
329.11353	1.8
339.09781	2.2
341.11337	1.9
343.12921	1.5
349.13925	1.4
355.12759	3.1
371.12216	1.5
383.12231	3.0
385.14240	1.1
474.16510	2.9
492.17291	1.3
506.19012	2.8
524.20349	100.0
525.20715	2.9
542.21051	3.5
556.22937	35.9
557.23047	1.4
614.48822	1.2
631.23962	2.0
644.51495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
56.78143	1.0
57.81678	1.0
65.03942	1.4
67.01855	1.6
67.05492	3.2
69.07060	2.0
70.06584	1.8
70.56393	2.9
72.08156	1.8
80.05015	3.5
80.78255	1.0
81.03422	1.1
81.07077	1.1
83.04973	1.3
84.85357	0.9
85.02909	1.5
91.05474	1.4
92.04985	1.2
94.06588	2.8
95.04977	2.7
97.06545	1.0
108.04510	6.6
108.08138	1.2
110.06023	2.6
117.07001	1.2
119.02481	0.9
119.08537	1.5
119.78935	1.1
120.02751	1.0
120.08138	1.4
121.06544	1.4
122.06052	5.2
126.05456	1.8
127.03944	1.3
132.08089	2.0
136.03992	4.2
136.07625	1.6
136.47699	1.1
138.04724	1.1
138.05537	10.0
140.07094	6.2
144.08061	2.3
146.05974	1.7
146.09665	1.2
146.70322	1.0
147.99203	0.9
150.09213	1.1
154.04999	79.6
154.08640	2.0
158.06012	12.1
160.03873	1.1
160.07597	8.7
162.09102	1.8
166.08664	1.3
167.07089	1.7
172.07593	2.7
173.08311	1.2
184.07451	1.9
190.05023	1.8
190.08652	3.8
192.10254	1.3
198.05426	1.2
200.07056	3.4
202.08679	3.6
204.06567	1.4
204.10213	1.5
205.90561	1.0
207.11223	2.1
208.09567	1.3
215.04607	2.7
218.08139	36.8
219.09036	2.4
220.09633	1.6
222.09178	1.6
222.11205	1.2
230.08144	1.5
232.09763	1.4
236.09151	6.8
237.10159	3.0
239.11739	1.5
244.05995	2.4
246.07726	7.7
247.10741	2.4
250.08521	1.9
250.10774	22.2
251.11716	2.5
253.09756	2.2
253.13490	1.3
254.10498	2.3
258.07504	1.7
262.07196	1.4
263.07913	4.2
263.11682	1.3
264.08731	2.8
265.09714	10.3
266.10516	1.9
267.11041	1.3
270.10052	2.3
273.08844	1.7
275.10257	3.1
276.08719	4.0
277.09668	1.2
279.07739	2.3
279.11288	5.9
280.08411	2.4
280.11798	1.2
282.10788	1.1
283.11118	1.2
286.09601	1.6
291.09821	3.2
293.09137	32.4
294.09845	4.4
295.10690	1.6
297.08823	2.0
297.12280	2.9
307.10345	4.9
310.10565	1.9
311.14047	1.3
312.11172	1.7
315.13406	3.3
321.08786	1.4
321.12308	4.2
325.08203	1.7
325.11853	8.3
327.13342	2.6
335.10168	3.5
337.08063	2.5
337.11798	6.4
338.08963	13.2
338.12561	1.9
339.09589	1.9
339.13403	14.8
351.09787	1.7
353.11343	100.0
354.11725	4.6
355.12933	22.7
357.14368	4.3
365.11221	4.5
369.14453	5.1
371.12280	3.6
371.16205	2.6
372.13541	1.4
375.15500	3.5
385.13962	60.6
386.14255	2.3
401.13364	3.4
407.18295	1.8
456.15494	4.6
474.16635	14.4
488.18265	1.9
492.17712	15.2
494.19150	4.7
506.19321	7.0
510.18765	46.8
511.18799	2.1
524.20355	38.1
525.20599	1.5
542.21368	16.2
556.23163	13.8
613.22931	10.9
631.24231	5.2
645.25043	4.4
649.25293	10.1
663.26068	1.4
681.27478	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	712.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.05511	5.1
56.05030	2.0
57.07074	3.7
57.86635	0.5
58.06587	0.7
60.04526	1.1
65.03940	1.0
67.04190	0.5
67.05176	0.8
67.05511	11.6
68.05016	1.0
69.03412	1.7
69.07070	6.2
69.46506	3.4
70.06577	0.8
71.08617	2.3
79.05504	9.5
80.05001	2.8
81.03419	1.3
81.07068	11.5
82.06583	6.2
83.08620	3.8
85.02901	2.6
85.10158	0.8
91.05490	17.5
92.05847	0.6
93.05782	1.1
93.07047	9.8
94.06576	22.6
95.04958	1.7
95.07365	4.3
95.08614	9.1
96.08135	3.2
97.02867	1.4
97.10176	2.3
99.43564	0.5
100.07578	0.7
105.07035	13.2
106.06567	4.0
107.07367	0.9
107.08597	5.7
108.08125	10.0
109.10165	3.4
110.09686	0.9
111.11739	0.7
113.00019	0.9
114.20309	0.5
115.05417	1.2
117.07014	6.9
118.06593	0.7
119.07341	0.7
119.08591	10.7
120.08117	3.5
121.08884	1.6
121.10146	3.7
122.09671	7.5
123.11685	1.7
131.08577	8.5
132.08086	2.6
133.08853	1.9
133.10127	6.5
134.09650	6.7
135.11687	2.2
136.11243	0.9
137.13211	0.7
145.10146	4.1
146.09630	2.1
147.10423	3.0
147.11694	2.3
148.11186	4.6
149.13240	1.2
159.11667	1.5
161.12077	0.7
161.13264	2.5
162.12801	0.9
163.14856	0.9
173.13257	1.7
175.14859	1.1
177.16460	0.7
189.16385	0.7
203.17958	1.1
215.18036	0.8
216.32042	0.5
231.21091	10.2
232.20625	1.3
235.07230	0.6
243.21106	9.6
246.22360	1.0
248.23769	8.8
254.24913	0.7
260.23752	100.0
261.21982	1.6
261.24115	2.1
272.25885	5.0
278.24826	9.4
282.24405	0.5
390.50247	0.6
457.44406	0.6
502.46213	6.7
514.46277	11.6
516.47772	4.8
532.47333	25.4
533.48083	0.9
568.74274	0.7
600.50275	1.8
601.44684	0.7
614.48364	0.8
694.52777	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	710.396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	20.2
61.02928	17.0
67.05511	34.6
69.03429	9.3
69.07066	18.3
69.18753	9.2
69.19154	51.1
71.04983	5.3
73.02911	5.8
79.05496	47.0
81.03429	14.0
81.07059	46.4
83.08636	8.9
85.02914	16.2
85.06571	6.9
91.03973	15.5
91.05483	47.2
91.91238	6.1
93.07043	73.8
95.04950	6.0
95.08610	26.1
97.02937	7.2
98.21529	13.2
105.07039	41.3
107.08563	28.4
109.10172	15.8
113.81300	6.1
117.07011	12.4
119.08614	38.6
121.06522	6.4
121.10155	28.7
125.66286	5.9
129.07054	9.8
131.08574	11.3
133.10170	42.6
135.11719	25.0
145.10135	14.5
147.11690	31.1
149.13297	12.3
159.11702	16.1
161.13239	8.4
171.11732	11.5
173.13313	11.8
211.13268	6.3
241.19563	23.7
259.20599	54.1
269.17435	6.6
333.24155	12.9
351.25357	100.0
354.61230	5.9
366.41742	6.4
407.97458	7.1
459.27631	7.5
495.29306	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
53.38375	2.3
55.05515	11.5
57.03446	13.1
57.07060	2.8
58.25801	2.4
61.02921	10.3
62.24374	2.1
62.84587	2.2
65.03942	2.2
67.05176	3.2
67.05508	31.3
69.03419	4.5
69.07062	9.8
70.02792	10.5
71.04993	4.3
73.02919	2.6
79.05076	2.6
79.05506	35.7
81.03431	4.5
81.07068	42.2
83.08614	7.6
85.02914	14.3
85.06537	3.5
91.03947	7.7
91.05479	22.4
93.07050	42.4
94.66426	2.3
95.08610	25.7
97.02881	10.1
97.06524	4.6
97.10204	3.0
105.07040	28.1
107.08608	32.5
109.06510	3.7
109.10164	14.9
117.07015	9.2
119.08598	21.0
121.10154	20.4
123.08109	3.3
123.11691	5.7
127.03892	5.1
131.08630	13.2
133.10153	20.1
135.11687	21.7
139.11137	2.5
143.08582	3.4
145.04996	6.2
145.10101	9.7
147.11670	15.3
149.13280	11.0
157.10201	3.9
159.11710	13.0
161.13269	7.8
171.11757	3.5
173.13269	3.7
175.14832	6.1
177.12723	4.4
185.13336	5.7
187.14842	8.0
195.13791	4.4
197.00790	3.0
201.16370	2.8
205.15865	4.6
206.20087	2.4
219.17529	3.2
229.14381	4.6
231.21161	2.8
241.19563	12.6
259.20621	25.1
269.17450	9.5
273.69879	2.3
276.51880	2.4
277.21622	23.6
287.95950	2.3
333.24185	5.5
351.25327	100.0
369.26425	3.5
393.26367	4.4
437.29034	3.6
463.30295	6.0
495.29279	4.6
513.30487	10.4
645.23047	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	707.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	2.1
53.74100	1.5
55.01870	2.7
55.05513	19.1
57.03428	4.6
57.07071	7.9
58.22482	1.5
65.03944	2.5
67.05180	2.5
67.05508	36.1
69.07078	15.4
69.35665	3.1
69.36075	11.4
70.38451	1.5
71.05001	1.7
71.08636	3.1
79.05492	28.5
80.09019	1.4
81.03414	2.0
81.07055	41.8
83.04973	3.3
83.08620	10.2
85.76180	1.6
87.04465	6.2
91.05492	22.8
93.07046	28.7
95.04988	3.6
95.08612	26.3
97.06538	3.2
97.10172	3.8
98.98489	3.0
105.06385	2.6
105.07039	24.0
107.08604	16.2
109.06528	3.3
109.10166	11.6
111.08109	1.7
113.00018	34.2
117.07018	11.2
119.08597	19.5
121.06506	2.5
121.10138	11.2
123.11682	2.9
129.07053	7.8
131.08559	19.7
133.10147	11.9
134.98172	2.6
135.11711	8.1
141.07013	3.2
143.08577	11.9
145.10141	18.5
147.11707	8.0
149.13321	5.4
155.08551	5.8
157.08977	1.8
157.10101	11.0
159.11697	8.4
161.13263	6.8
167.08650	2.1
169.02634	4.7
169.10165	6.4
171.11705	7.1
173.13274	8.1
175.14828	2.6
181.10156	3.3
183.11708	3.1
184.07353	4.2
185.13281	6.1
187.14867	5.7
195.11670	2.4
195.90643	1.8
197.13306	3.5
199.14822	6.6
201.16466	2.2
209.13365	2.4
211.14824	3.5
213.16370	4.5
215.17928	2.4
227.17958	3.8
241.19633	2.5
243.21144	3.6
261.22122	4.0
269.22684	1.8
275.20148	4.9
315.23215	2.4
317.24719	3.4
335.25842	4.7
475.34210	2.0
521.43335	6.1
539.44305	7.2
567.44031	2.2
577.46283	3.2
595.47211	100.0
596.47321	5.4
609.45142	11.6
613.47906	2.2
707.34454	4.3
707.46558	51.5
708.46332	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.3
55.01865	14.1
55.05277	4.1
55.05516	46.6
57.03435	18.9
61.38094	3.3
65.03919	4.0
66.42293	3.7
67.05177	6.2
67.05509	81.7
69.03446	21.8
69.07073	21.5
70.03548	12.4
70.03963	7.9
71.04995	10.8
71.08640	7.4
73.02924	4.2
79.05492	73.2
81.03420	100.0
81.07059	91.1
83.04984	54.2
83.08632	33.2
85.02908	22.2
85.06547	6.1
87.04449	12.2
91.05483	63.9
93.07044	75.0
95.04962	34.2
95.08610	60.1
97.02902	22.5
97.06532	13.6
97.10166	8.7
99.04450	7.1
99.08099	4.9
105.07031	56.5
107.04963	10.2
107.08589	39.3
109.02876	11.3
109.06517	8.9
109.10157	33.6
111.04449	23.0
111.08076	16.5
113.00014	3.7
117.07039	10.9
119.08603	46.0
121.06532	6.5
121.10154	37.1
123.08049	7.8
123.11722	10.9
127.03921	10.6
129.05466	14.3
129.07005	19.0
131.08542	31.5
133.06497	6.6
133.10150	24.7
135.11696	22.8
143.08562	6.4
145.10114	21.8
147.11720	32.4
149.09613	7.8
149.13269	11.2
153.12770	7.7
155.08540	5.7
157.10159	25.4
159.11731	17.7
161.13269	15.3
163.11191	15.7
165.12646	5.3
169.10126	4.8
171.11719	8.1
173.13214	8.3
175.11177	10.9
179.14325	12.1
181.10080	5.4
181.12260	9.6
183.11679	4.7
185.13289	8.7
191.10681	16.5
193.12253	48.1
197.13251	5.4
209.11676	4.8
211.13287	84.3
217.12465	4.3
227.12781	16.5
229.14331	8.4
241.19569	7.1
243.20982	6.4
261.22180	14.5
267.15936	13.3
275.19965	4.5
277.21588	11.3
283.15375	8.1
285.16983	18.8
285.22110	4.2
313.27100	4.4
315.23282	4.3
335.25851	46.5
337.27359	11.1
351.25516	4.3
369.24295	4.8
387.25311	5.7
427.20001	5.5
429.21143	9.1
435.31821	4.1
461.28772	5.1
527.37079	11.9
543.35675	5.2
545.38342	38.6
546.38947	5.0
595.46747	9.1
609.45288	27.3
653.40381	4.9
671.41486	4.1
689.42633	21.5
707.44592	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	706.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27156	0.4
54.03473	1.4
55.04256	0.6
57.45926	0.4
65.03951	0.9
65.15105	0.4
68.99801	1.2
69.84139	0.7
69.84428	2.3
70.06593	100.0
78.65816	0.5
79.05513	0.6
81.03428	0.9
91.05488	0.8
93.03425	0.7
95.04933	0.8
98.21417	0.6
105.03411	0.5
109.02917	0.6
109.06525	1.2
111.04494	0.5
111.34135	0.5
115.25843	0.5
119.04966	1.2
121.02859	1.1
121.06512	0.8
123.04442	4.8
127.03922	0.8
133.02847	1.0
137.02390	0.4
137.05974	5.3
137.06912	0.4
139.03906	16.1
147.04440	1.4
149.02344	0.8
151.03915	15.0
153.01848	0.7
153.05569	0.9
155.03372	0.5
157.06566	0.5
159.04485	0.5
161.06021	1.5
163.03954	3.0
165.05478	13.6
165.06879	0.8
173.05925	0.6
175.03961	1.7
175.57361	0.6
177.05455	2.3
179.03403	15.8
179.04919	0.8
181.06505	0.6
185.05981	0.6
187.04025	0.8
189.05588	1.2
191.03477	1.2
195.08105	0.5
197.06068	0.9
199.07530	0.9
201.05579	1.3
203.03444	1.6
203.07039	1.0
205.04993	0.6
209.06029	0.5
211.07516	0.7
213.05533	0.8
215.07103	1.4
217.05034	0.9
223.07617	0.5
225.05547	1.1
227.07126	1.8
229.04993	4.5
231.06595	0.6
237.05466	1.6
238.05995	0.5
239.07047	1.1
241.05006	1.4
243.06595	2.0
245.04465	0.6
245.07950	0.5
251.07179	1.3
253.05011	0.5
255.06680	2.2
257.04309	0.5
257.08197	1.7
267.06573	1.7
269.08261	0.5
271.06021	8.3
274.93814	0.4
279.06656	1.6
281.04675	0.5
283.05984	5.4
285.07654	1.6
287.05649	0.9
289.07199	1.1
295.06052	3.6
296.06714	0.5
297.07831	1.5
299.05609	1.4
301.07065	12.9
301.10196	0.7
313.07083	9.2
317.06662	2.6
317.68103	0.5
323.05554	0.7
325.07077	8.8
325.10550	0.9
343.08136	3.6
400.13998	3.3
443.09866	0.8
445.09299	0.7
451.10034	0.6
461.98578	0.4
463.10422	3.3
469.12000	0.9
481.11389	6.5
485.09528	0.4
626.07428	0.5
649.15540	6.3
706.21265	29.5
707.21423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08941	0.7
55.01862	0.9
58.06587	1.8
68.99797	4.4
70.06599	77.2
70.99601	0.9
70.99932	1.2
77.84044	0.7
79.05470	1.5
81.03413	2.2
81.07054	1.4
84.08097	0.8
88.05916	0.6
91.05467	2.5
93.07029	1.9
95.04972	1.7
101.25074	0.7
103.05468	0.9
107.04976	3.7
109.02884	6.5
109.06544	0.8
111.00806	1.7
121.02820	1.2
121.06532	5.7
123.04448	8.3
127.03924	11.9
131.04875	1.2
133.02831	2.9
135.04434	6.4
137.05986	1.8
139.03914	37.4
145.06425	0.8
147.04411	2.1
149.02333	2.5
149.06006	9.1
150.03154	1.5
151.03917	27.2
153.01822	2.7
153.05470	1.1
155.03403	7.8
159.04410	2.5
161.05986	1.7
163.03920	13.4
165.05493	3.1
167.03409	3.3
173.06015	1.3
175.03891	1.3
175.07530	2.2
177.05484	100.0
178.05891	1.5
179.03432	6.7
181.04973	4.5
185.06038	1.1
189.05458	2.9
192.10167	1.1
193.05017	0.9
199.03862	0.9
201.05469	1.7
203.03381	1.0
205.04997	1.6
206.08144	5.2
207.06526	0.7
213.05479	2.5
217.04913	1.8
218.08090	0.7
219.06522	0.7
229.04936	1.0
231.06421	0.8
232.09818	0.8
234.11269	8.6
241.05005	2.0
245.04485	1.9
247.06027	1.9
259.06131	2.7
275.05438	1.5
277.07068	1.8
287.05515	9.3
294.50079	0.7
303.04968	1.4
305.06625	1.8
327.08838	1.5
339.08594	1.2
343.07944	1.5
345.09720	13.4
362.12463	1.1
370.12857	1.9
374.12424	6.3
402.15503	54.1
403.15762	1.4
437.91290	0.7
507.13483	1.2
538.17230	9.9
633.53235	0.7
706.21271	62.3
707.21735	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02311	0.3
54.03474	1.5
55.04267	0.6
65.03934	0.9
68.99802	1.9
70.06594	100.0
70.09116	1.7
71.06918	0.4
81.03439	1.1
81.07053	0.6
83.08060	0.3
91.05475	0.7
95.04987	1.1
105.03394	0.5
106.92446	0.3
107.04954	0.4
109.06516	1.0
111.04478	0.7
119.04962	0.8
121.02892	1.3
123.04433	5.0
133.02843	0.9
133.06493	0.5
137.05997	4.9
138.09132	0.5
139.03908	16.0
141.07025	0.4
147.04398	1.7
148.97655	0.4
149.02417	0.7
151.03911	14.2
151.97690	0.4
153.01889	1.1
153.05502	1.1
155.03391	0.4
159.04529	0.6
161.06036	1.3
162.12820	0.4
163.03926	3.4
165.05486	14.7
165.06892	0.8
167.03398	0.5
171.04404	0.4
171.08109	0.4
173.06059	1.0
175.03955	1.4
176.07176	0.4
177.05563	1.7
179.01842	0.9
179.03401	16.2
181.06569	0.9
183.08032	0.4
184.05064	0.4
185.05949	0.7
187.03947	1.2
187.07574	0.7
188.07211	0.5
189.05505	1.2
191.03392	0.4
193.04868	0.5
199.07538	0.5
201.05518	2.1
203.03389	1.8
203.07083	1.0
209.05969	0.8
211.04002	0.4
211.07532	0.7
213.05537	1.5
215.06996	2.1
217.05003	1.3
222.06956	0.4
227.07112	1.5
229.04996	4.3
237.05530	1.4
239.07097	1.9
241.05023	1.1
241.08635	0.4
243.06500	1.9
245.04523	0.8
251.07085	1.1
253.04977	0.5
255.06581	1.7
257.04337	0.7
257.08200	1.1
267.06445	1.8
269.08191	0.8
271.06042	9.9
271.08801	0.6
275.05466	0.6
279.06500	2.1
283.05994	5.0
285.07611	2.4
289.07135	1.5
295.06052	3.4
296.06693	0.5
297.07684	1.2
299.05579	2.1
301.07065	12.8
307.05606	0.5
313.07071	8.9
314.39484	0.4
317.06546	3.3
323.05667	0.7
325.07068	10.2
326.07532	0.4
331.08163	0.8
343.08167	2.7
377.78674	0.4
400.14044	1.3
445.09335	1.2
463.10062	3.4
469.11465	1.1
481.11273	7.5
481.17621	0.5
488.22894	0.4
637.15747	0.9
649.15564	6.8
706.21301	32.4
707.21918	1.3
720.08917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56774	1.7
55.01867	3.4
55.05514	18.0
57.03432	3.4
57.07060	3.6
58.36750	1.8
67.05191	2.1
67.05509	23.7
69.03416	2.3
69.07073	15.4
71.08624	2.3
71.51964	1.8
73.08734	1.9
75.50497	1.9
79.05502	16.0
81.07056	27.8
83.04989	1.9
83.08634	10.8
85.06562	2.1
87.04463	3.5
91.05476	16.6
93.07043	14.3
95.04966	3.8
95.08615	18.4
97.10144	2.6
105.07014	17.0
107.08578	8.6
109.10128	5.7
113.00023	51.8
117.07042	9.5
119.08587	12.9
121.06491	2.3
121.10100	6.6
123.11650	3.2
125.09631	3.4
128.06204	5.5
129.07021	14.2
131.08582	18.0
133.10106	6.8
135.11650	2.3
141.06969	6.2
142.07693	2.5
143.08569	22.9
145.10118	14.4
147.11635	5.8
148.12482	2.0
155.08533	15.7
157.10114	17.8
159.11682	10.9
161.13206	4.1
167.08524	4.0
168.09227	2.4
169.02570	4.2
169.10135	16.8
171.11719	14.4
173.13184	7.1
175.14798	3.3
181.10179	9.6
183.11726	17.6
185.13245	10.2
187.03650	2.2
187.14828	4.8
193.10049	3.7
195.11639	9.0
195.63747	1.8
197.13344	9.6
199.14809	7.1
201.16307	3.5
205.16216	1.9
205.58743	2.1
209.13333	5.3
211.14728	8.7
213.16405	4.5
215.18019	2.2
221.13205	3.5
223.14807	5.1
225.16396	5.5
227.18048	3.5
235.14619	2.2
237.16412	2.7
239.17972	2.5
241.19412	2.9
249.16391	2.4
266.65710	2.0
501.40659	3.2
519.41956	11.3
537.42969	9.4
557.43530	3.2
575.44324	2.8
593.45587	100.0
594.45483	6.5
611.46039	3.5
705.32953	4.1
705.44360	66.7
706.44202	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	705.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.8
55.01871	2.9
55.05514	20.9
57.03422	5.7
57.07058	6.1
65.03925	2.9
67.05509	62.1
69.07072	15.6
69.42064	10.6
70.42116	1.7
71.04979	2.3
71.08611	2.8
77.03925	1.6
79.05494	47.2
81.03423	2.5
81.06591	3.1
81.07059	57.0
83.04977	1.5
83.08617	8.8
85.06535	2.6
87.04462	1.7
87.43073	1.5
91.05482	48.4
93.07050	51.3
95.04965	4.9
95.08615	41.0
97.06560	4.4
97.10188	3.4
97.85935	1.5
99.08091	2.1
105.04529	1.6
105.07034	37.7
107.08597	27.7
109.06472	2.8
109.10171	15.1
113.00027	52.1
115.05447	2.8
117.07025	16.6
119.07808	3.0
119.08590	37.3
121.10148	18.8
123.11681	4.7
128.06171	2.5
129.06995	10.8
130.07774	1.7
131.08575	28.8
133.10144	32.0
135.11707	13.9
141.06956	4.0
143.08574	13.5
145.10146	24.8
147.11687	19.8
149.09683	2.6
149.13277	7.2
155.07368	1.6
155.08546	6.8
156.09441	1.9
157.10121	15.2
159.11697	19.8
161.13235	18.8
163.14780	3.6
165.12582	1.5
169.02615	12.6
169.10138	6.7
171.11723	16.9
173.13280	17.8
175.14810	9.9
177.12816	2.0
181.10117	2.2
182.10953	1.8
183.11702	7.7
185.13264	9.8
187.03638	2.4
187.14789	6.9
189.12750	1.9
195.11714	2.2
197.13277	5.9
199.14841	6.9
209.13187	2.0
211.14859	3.3
213.16364	4.3
215.18005	3.8
217.19580	4.3
231.21051	6.0
239.17920	5.5
241.19537	29.6
243.21075	4.9
257.19031	6.8
259.20599	25.8
261.22015	3.3
267.21127	1.6
275.20041	3.2
313.21552	3.5
315.23248	17.0
331.22714	2.2
333.24155	4.6
335.25806	27.7
337.27301	6.0
427.22659	2.4
427.86975	1.8
519.41931	3.6
537.42706	3.5
593.45654	100.0
594.45673	6.7
611.67548	1.7
705.44867	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38663	2.2
53.03947	16.3
53.22797	2.2
55.01874	19.1
55.05272	2.6
55.05514	31.7
57.03440	11.7
57.07074	2.7
61.02933	4.4
65.03948	5.1
67.05507	88.2
69.03432	25.2
69.07074	31.9
69.96513	9.0
71.05005	12.8
73.02924	3.1
79.05499	70.9
81.03420	46.5
81.07059	100.0
82.07379	2.1
83.04970	19.7
83.08630	17.3
85.02901	12.8
85.06579	5.6
87.04440	3.0
91.05491	63.7
93.07045	70.7
95.01315	3.8
95.04972	16.0
95.08616	50.7
97.02888	17.0
97.06543	24.9
97.10178	8.1
99.04457	7.5
99.08115	4.8
101.02441	2.8
105.04534	3.2
105.07038	60.8
107.04963	18.1
107.08595	37.6
109.02886	10.9
109.06527	10.2
109.10163	18.0
111.04433	5.4
111.08042	5.5
115.05479	5.0
117.07017	27.1
119.08591	39.9
121.06509	6.9
121.10164	22.7
123.08062	5.9
123.11700	7.6
125.09645	5.9
127.03917	12.4
128.06203	5.6
129.05493	4.8
129.07010	15.6
131.08572	30.4
133.06509	4.4
133.10156	29.3
135.08032	6.3
135.11748	11.8
137.09651	6.7
141.07010	6.3
143.08542	13.2
145.06517	4.9
145.10124	19.8
147.08107	3.8
147.11725	18.8
149.09659	13.6
149.13300	14.8
151.11198	5.4
155.08559	9.3
157.10150	16.5
159.08156	4.6
159.11719	18.9
161.09616	4.0
161.13234	5.1
162.70689	2.6
163.11205	9.7
165.12776	4.6
167.08592	3.0
169.10158	7.2
171.11713	8.0
173.04459	9.3
173.05844	2.8
173.09679	5.2
173.13206	8.0
175.11139	5.4
177.12772	7.8
179.14314	7.9
181.10097	4.5
183.11707	8.2
185.13367	4.9
187.11131	4.3
195.11971	3.0
195.13831	9.3
196.15904	2.5
196.99622	2.1
197.13246	3.3
199.06079	2.7
209.13387	3.2
211.14804	2.8
213.12698	3.0
227.12729	3.7
229.19508	3.6
247.20589	2.8
257.18970	9.0
267.16003	6.0
268.45926	2.7
269.17459	23.1
275.20062	55.8
293.21008	5.7
301.21658	3.0
339.18152	3.9
349.23834	23.0
395.20593	4.8
413.21979	13.7
433.31088	4.9
451.32037	5.7
463.30643	6.6
469.33032	5.6
515.37006	4.9
525.35962	12.0
543.36829	58.8
585.04816	2.4
636.57159	2.7
639.52142	2.7
678.48938	3.0
687.40991	20.8
705.42078	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	17.3
55.01876	16.9
55.05268	3.0
55.05515	38.1
57.03436	12.0
57.07076	3.0
61.02915	5.1
65.03934	4.1
67.05509	86.9
69.03441	33.4
69.07070	42.3
71.05000	11.8
73.02904	4.3
79.05496	71.3
81.03423	56.7
81.07061	100.0
83.04989	22.8
83.08633	15.8
85.02890	12.7
85.06538	6.6
91.05485	72.9
93.06485	4.0
93.07047	72.8
95.04974	17.1
95.08615	48.9
97.02878	20.5
97.06532	28.7
97.10161	5.0
98.20689	3.9
99.04446	7.1
99.08087	4.8
105.07040	47.8
107.04957	14.4
107.08593	44.6
109.02885	14.3
109.06512	12.3
109.10141	19.5
110.94054	2.4
111.04439	7.9
111.08077	7.2
115.05484	2.7
117.07026	22.9
119.08582	32.0
121.06513	9.4
121.10154	27.6
123.08099	5.0
123.11710	7.9
125.09609	7.8
127.03918	10.9
128.06221	4.7
129.05476	6.4
129.07039	12.6
129.07809	2.3
131.04875	2.6
131.08569	32.5
133.06471	2.7
133.10124	28.3
135.08018	9.0
135.11705	17.1
137.09573	2.4
141.07025	5.1
142.07832	3.3
143.08575	15.2
145.10118	22.5
147.04408	2.6
147.08047	5.2
147.11699	21.2
149.09630	16.0
149.13280	14.0
151.11137	3.6
153.09131	3.2
155.08572	7.2
156.63893	2.6
157.10109	13.1
159.08034	5.4
159.11700	23.6
161.09659	3.0
161.13242	7.4
163.11165	8.4
165.07098	2.6
165.09047	3.0
165.12788	4.3
167.08626	4.3
169.10132	9.4
171.07970	3.4
171.11676	8.1
173.04443	12.0
173.09604	5.0
173.13260	9.4
175.11136	3.2
177.08977	2.7
177.12744	8.0
181.10190	5.5
183.08115	2.5
183.11722	8.5
185.13260	8.4
187.11191	4.5
187.14879	4.0
191.14165	3.3
193.10153	3.4
195.11731	3.8
195.13792	7.0
197.13242	5.5
199.11235	4.0
199.14792	5.8
201.12755	6.2
211.14842	2.8
213.12778	3.2
213.16391	2.8
227.12839	3.8
239.17914	3.9
247.20421	3.1
257.18994	9.3
267.15945	5.6
269.17465	18.5
273.18686	2.6
275.20071	43.8
277.21738	2.6
293.21164	5.1
301.21661	2.5
303.15842	2.9
331.22711	2.6
339.17844	3.8
349.23761	20.2
361.25311	2.7
377.19931	2.6
413.21759	4.5
433.30609	4.6
451.32300	3.9
459.25839	2.6
463.30527	7.3
469.33209	3.3
525.35724	14.3
543.36859	52.4
561.37823	4.2
566.45032	2.7
634.12628	2.7
651.38531	3.3
686.52185	2.8
687.40955	20.3
689.80048	2.6
705.42285	23.8
707.16870	2.7
734.68628	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	18.6
55.01874	18.4
55.05520	42.2
57.03422	11.1
57.05485	3.3
57.07067	8.6
60.56586	2.9
61.02931	4.3
64.73566	2.9
65.03931	5.7
67.05511	86.3
69.03435	24.4
69.07072	39.3
70.49391	3.4
71.04980	13.6
71.08620	5.7
73.02907	4.6
77.38264	2.9
79.05067	5.3
79.05500	67.1
81.02991	4.7
81.03429	58.1
81.06588	5.7
81.07063	100.0
83.04990	22.6
83.08637	24.3
85.02924	19.5
85.06544	6.8
91.05492	57.2
93.07056	73.6
95.04974	20.7
95.08615	46.9
97.02910	21.0
97.06522	22.5
97.10163	8.5
98.20640	6.2
99.04434	9.6
99.08112	4.3
103.05486	4.1
105.07042	51.1
107.04950	13.7
107.08604	37.3
109.02871	14.9
109.06535	8.5
109.10149	18.9
111.04422	6.6
111.08073	5.3
115.05470	3.7
117.06338	3.8
117.07049	28.4
119.08600	49.0
121.06512	9.1
121.10160	25.7
123.08073	7.8
123.11720	9.3
125.09638	4.1
127.03904	14.2
128.06218	4.7
129.05469	5.7
129.07030	18.2
131.08588	38.7
133.06493	5.9
133.10143	27.9
135.08072	7.9
135.11711	17.7
136.02484	3.7
137.09593	6.5
141.06995	4.7
143.08546	16.8
145.06462	4.9
145.10150	27.4
147.08041	8.0
147.11728	23.9
149.09612	12.6
149.13249	19.8
155.08525	9.4
157.10143	12.3
159.08061	3.9
159.11688	21.0
161.09628	4.0
161.13229	7.4
163.11147	7.1
165.12697	3.9
169.10144	10.6
171.08000	5.4
171.11697	13.9
173.04457	11.6
173.09639	4.9
173.13303	6.7
175.11253	6.4
177.12758	7.9
179.14337	3.3
181.10150	6.8
183.06561	4.2
183.11707	7.9
185.13208	7.7
187.11255	4.2
187.14896	4.6
195.11780	7.3
195.13814	6.3
197.13304	4.4
199.14790	4.8
210.63727	3.4
247.20753	4.6
257.19058	11.0
259.20410	3.4
267.16068	5.1
269.17480	27.3
275.20078	36.7
293.21167	4.6
324.24542	4.0
339.17929	4.5
349.23746	12.1
395.20380	3.7
413.21890	6.2
433.31125	5.2
451.32410	7.3
463.30435	11.8
469.33316	6.1
515.37177	8.9
525.35956	21.3
540.78430	3.8
543.36963	59.7
561.38324	5.6
589.55060	3.8
636.68915	3.3
639.25629	3.1
669.39319	5.2
687.29156	3.7
687.40411	15.1
705.31238	5.0
705.41364	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	705.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69641	2.1
53.03940	11.6
54.57193	1.9
55.01878	15.5
55.05268	3.3
55.05510	33.9
57.03436	12.0
57.07061	3.2
61.02924	5.8
65.03941	5.4
67.05505	75.3
69.03426	28.8
69.07070	29.5
69.92331	9.2
71.01353	2.5
71.04989	11.5
72.05111	2.3
73.02914	3.6
79.05491	66.0
81.03414	53.3
81.07053	100.0
83.04990	20.3
83.08626	16.1
85.02900	13.3
85.06526	4.8
91.03960	2.6
91.05476	63.6
93.07041	66.8
95.01347	2.5
95.04961	18.6
95.08602	42.3
97.02892	18.5
97.06525	20.1
97.10177	8.5
99.04443	5.1
99.08086	3.1
103.05476	2.1
105.04494	3.0
105.07024	59.2
107.04965	16.6
107.08588	39.9
109.02866	10.2
109.06556	10.3
109.10152	19.7
111.04449	7.8
111.08079	6.7
113.06033	2.0
115.04683	1.8
115.05456	4.8
117.07010	24.3
119.08574	41.6
119.09371	3.4
121.06527	6.6
121.10139	26.3
121.61160	1.8
123.04462	3.3
123.08081	7.1
123.11696	8.2
125.09631	7.3
127.03882	13.5
128.06229	5.0
129.05498	4.9
129.06989	12.1
131.08565	34.5
131.54198	2.0
133.06483	3.2
133.10130	28.2
135.08063	7.7
135.11694	13.7
137.09630	5.6
141.07007	4.2
142.07759	4.2
143.08574	10.3
145.06473	4.0
145.10118	23.4
147.08028	4.8
147.11682	18.2
149.09622	14.5
149.13208	11.9
151.11226	4.3
154.07785	2.8
155.08557	7.9
157.10133	10.9
159.08049	3.5
159.11700	20.7
161.09581	5.7
161.13269	7.2
163.11226	8.1
165.12735	4.0
167.08575	2.9
169.10133	9.0
171.10355	2.8
171.11681	11.6
173.04518	11.0
173.05811	2.5
173.09630	3.0
173.13245	9.3
175.11185	4.2
177.12735	6.6
181.10114	3.1
183.11690	7.6
185.09605	2.9
185.13258	5.6
187.14856	3.3
189.11275	2.5
193.09897	2.4
195.11697	3.8
195.13788	7.3
197.13324	4.3
199.06018	3.4
201.07544	2.5
201.12817	3.2
211.14851	2.6
215.14394	2.5
239.17982	3.6
247.20630	2.4
257.19067	6.6
265.21878	2.3
267.15900	4.9
269.17529	16.2
275.20044	43.7
293.21194	4.8
313.21799	2.9
329.20984	2.6
339.17819	3.2
349.23691	19.2
353.24750	2.2
395.20740	2.3
413.21753	8.5
419.24231	3.2
429.83316	2.2
433.30676	3.6
451.32166	4.4
454.75565	2.0
463.31039	3.0
469.33057	3.3
493.27347	2.2
515.37341	6.9
516.37653	2.7
525.35681	16.2
543.36792	49.8
641.79523	2.3
651.38885	3.6
669.39783	3.0
687.40997	15.5
705.42017	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01872	2.2
55.05512	5.6
55.23437	0.7
56.73692	0.8
57.03436	2.1
57.07082	40.2
59.05009	15.5
65.03948	1.0
67.05511	9.2
69.03419	2.5
69.07072	5.4
71.04999	1.8
71.08639	71.8
72.72588	0.6
73.02940	1.1
73.06557	4.8
79.05506	5.6
81.03431	5.3
81.07064	9.9
83.04992	1.7
83.08626	2.5
85.02919	2.1
85.06511	0.7
85.10191	39.6
87.04473	14.6
89.06039	100.0
91.05475	6.6
91.07624	0.9
91.86327	0.7
93.07053	5.8
95.04986	2.2
95.08620	4.6
97.02882	1.4
97.06554	2.8
97.10154	2.0
99.08161	0.7
103.07603	6.3
105.07011	4.9
107.04976	1.4
107.07083	1.9
107.08610	3.1
109.02907	1.2
109.06546	1.4
109.10142	2.1
111.04467	1.2
111.08108	1.1
113.06098	0.8
117.07027	2.0
117.09157	5.4
119.08599	3.1
121.06536	1.0
121.10175	1.7
123.08154	0.8
123.11767	0.9
125.09682	0.8
127.03938	0.8
127.14854	4.4
129.07045	1.4
129.09055	0.7
130.08632	1.7
131.07071	5.6
131.08591	3.1
133.08617	72.5
133.10225	2.5
135.08096	0.8
135.10173	0.8
135.11711	1.5
141.06985	0.9
145.10130	2.3
147.11723	2.2
149.09653	1.5
149.13257	1.2
155.08594	0.9
157.10086	1.6
159.11737	2.3
161.11812	0.8
161.13304	1.0
171.17624	0.7
173.13327	1.2
175.09732	4.5
175.11111	1.1
177.11237	26.6
183.11847	0.7
185.19017	5.5
195.08351	0.8
197.13219	0.9
210.10970	0.7
219.12271	1.3
221.13873	6.0
229.21620	3.8
239.14928	0.7
265.16522	2.1
269.17606	1.0
275.20047	4.1
283.17557	1.4
309.19128	1.0
327.20270	1.3
349.23898	0.7
353.22015	0.8
371.23077	0.8
382.17258	0.7
459.27972	1.3
485.29254	1.0
503.30637	5.5
525.35590	0.8
528.37720	0.8
542.35736	0.8
543.37317	3.3
545.14331	0.7
630.26709	1.3
672.27246	1.9
687.50098	1.0
704.51709	1.7
705.41571	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	703.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
53.84844	0.6
55.05498	2.3
57.03434	1.3
61.54916	0.5
65.03934	1.0
67.05511	8.1
69.03446	1.4
69.07070	3.5
69.22921	5.0
71.04982	1.9
72.00797	0.5
79.05498	6.7
81.03417	5.0
81.07065	7.9
83.04977	1.9
83.08620	1.7
85.02914	0.9
91.05487	6.3
93.07057	6.7
95.01361	0.9
95.04982	2.8
95.08617	3.7
97.02917	1.5
97.06554	0.9
98.21053	2.7
99.04473	0.8
99.08069	0.7
103.05493	0.7
105.07032	4.1
107.04961	1.3
107.08602	3.3
109.02882	1.0
109.06530	1.4
109.10177	2.5
111.04400	0.6
111.08087	0.9
117.07034	2.2
119.08569	3.2
121.06499	1.2
121.10168	1.8
124.08487	0.6
125.09621	1.0
126.62542	0.6
127.03961	0.7
129.06984	1.4
131.08597	2.7
133.06491	0.7
133.10107	3.2
135.08029	0.9
135.11676	1.0
137.05907	0.7
141.07021	1.0
143.08575	1.9
145.10161	2.2
147.08090	0.6
147.11679	1.5
149.09615	1.3
155.08620	0.6
157.10123	1.3
159.08014	0.9
159.11743	1.5
161.09669	0.9
169.07637	0.8
169.10150	0.7
171.11714	1.5
172.07654	1.0
173.13280	1.1
175.11345	0.9
193.10394	0.6
195.09204	1.5
197.07176	0.7
197.13274	0.7
207.09152	1.4
208.09998	1.3
209.10709	4.9
210.11523	1.7
211.08740	0.9
211.12320	1.0
219.11690	0.7
221.10886	1.7
222.11546	2.8
223.08775	1.0
223.12305	5.7
224.09503	0.9
224.13164	4.3
225.06639	1.3
225.13867	4.6
235.08771	1.6
235.12340	1.2
236.13138	1.0
237.10216	2.5
237.13893	13.2
238.14650	4.9
239.08072	4.1
239.15491	1.5
241.09720	0.8
247.08458	0.6
250.11148	1.7
251.11845	1.8
252.12636	1.8
253.09834	1.0
253.13457	1.8
255.11328	0.8
263.08118	1.5
265.13419	6.5
266.14182	2.3
267.07605	4.8
267.32825	0.7
269.09360	1.2
271.10748	0.7
273.18506	1.5
275.20224	1.0
281.09314	2.4
291.19629	1.2
297.12329	1.2
299.10297	2.4
309.08801	1.5
313.11859	1.5
325.15555	4.0
341.11316	7.5
349.23920	0.7
377.56110	0.7
387.19516	0.7
407.18875	1.0
420.15628	0.8
421.20505	1.1
432.17184	0.6
433.16904	1.5
435.18179	1.4
449.19965	2.1
463.16888	0.9
474.18619	0.8
475.17923	0.7
477.19391	2.0
478.19598	1.0
479.21140	0.7
488.19522	0.7
491.20877	2.2
494.18689	0.7
495.20264	0.7
508.21332	0.9
509.21881	0.8
517.19037	0.7
519.20178	1.0
523.23541	2.8
524.23151	0.7
533.21857	2.2
534.21307	0.9
535.19965	0.9
537.25366	0.9
541.34131	4.1
547.23456	1.3
549.24603	1.3
550.22449	1.0
551.22693	5.3
565.24347	3.0
566.25220	4.7
578.21606	0.8
593.23877	11.0
594.24542	1.2
611.24866	4.9
621.23065	1.6
625.24976	4.1
635.24915	1.2
653.26074	100.0
654.26312	4.8
685.28717	10.6
703.38928	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	701.183
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50018	0.5
74.02441	1.0
84.51146	0.3
88.64488	0.3
91.05481	1.6
115.05469	1.2
117.05775	1.0
117.07027	1.2
118.06557	19.8
121.06533	0.4
125.02300	0.4
130.06535	1.4
132.08109	4.8
142.06474	1.6
143.07304	2.7
144.04483	0.5
144.08102	12.3
146.06023	59.6
147.06366	0.6
153.01846	1.8
159.09204	6.3
160.07588	1.0
164.07018	0.4
170.06032	3.9
180.23170	0.3
188.07085	100.0
189.07442	1.4
205.09741	32.8
300.71201	0.3
323.82391	0.4
338.38995	0.4
438.23346	0.3
637.98071	0.4
668.47900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.5
57.07078	100.0
59.05005	21.4
67.05529	1.6
67.72257	0.6
69.07071	1.7
69.35925	4.6
71.08635	64.3
73.06559	1.4
74.07880	0.7
79.57523	0.7
81.07079	1.5
83.08643	2.1
84.86569	0.6
85.10186	54.8
87.04469	8.7
88.93826	0.7
89.06034	62.4
91.05470	0.8
91.66372	0.7
97.10197	2.7
99.11739	11.0
101.09698	1.5
103.07610	0.9
107.07115	0.8
107.84039	0.7
109.10188	1.1
110.45478	0.8
113.13263	5.0
117.09142	4.8
123.88892	0.6
130.08669	1.5
131.07050	3.2
133.08609	47.0
155.17931	8.6
175.09763	2.0
177.11234	18.8
177.12654	1.3
213.22159	14.6
221.13901	4.2
232.67061	0.7
265.16434	1.2
266.05157	0.7
271.26355	5.1
282.64859	0.7
283.17520	1.0
309.18985	1.0
327.20230	1.4
415.25397	9.9
455.29025	1.1
513.32813	1.0
691.25879	0.7
702.44531	1.0
702.54724	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80623	0.6
53.03934	1.2
53.06256	0.6
54.07648	0.6
55.01867	1.0
55.05510	4.8
56.05020	2.3
57.03433	0.6
57.07073	4.3
57.45413	0.6
58.06598	0.7
60.04515	2.1
62.76845	0.6
67.05506	9.3
69.07068	5.0
70.06583	1.9
71.08617	2.4
71.11884	1.2
76.00384	0.6
79.05502	7.4
80.05007	2.7
81.03443	0.7
81.05791	1.9
81.07053	9.8
82.06591	5.6
83.08623	3.2
85.02881	1.4
85.10149	1.5
91.05479	7.3
93.07046	7.1
94.06570	18.3
95.04936	0.8
95.07365	3.2
95.08604	7.1
96.08125	3.8
97.02877	0.8
97.06532	1.5
97.10145	1.7
105.07036	6.1
107.08584	3.5
108.08106	2.9
109.10150	2.4
119.08589	5.2
121.10142	3.0
122.09659	1.9
123.11684	1.5
131.08562	0.8
133.10100	3.3
134.70509	0.8
135.11700	1.5
136.11143	1.3
145.72884	0.6
147.11688	0.9
161.13210	1.1
222.21895	0.8
233.22717	0.9
240.92784	0.7
245.22594	1.6
247.37251	0.8
250.25400	4.8
256.26443	3.3
262.25302	100.0
263.25595	6.0
264.26141	2.0
275.20041	1.7
280.26328	8.8
449.26874	0.7
488.48093	1.8
500.48306	8.1
502.49820	2.7
518.49316	14.8
536.49469	0.9
587.46423	4.2
600.50458	0.9
680.54346	4.9
681.54211	1.0
726.59515	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.8
52.28898	2.4
53.03937	9.5
55.01862	7.5
55.05519	38.1
57.03431	10.4
57.07070	6.6
58.65765	2.5
64.37080	2.4
65.03935	5.4
67.05510	94.8
68.05832	3.0
69.03442	3.0
69.06738	2.4
69.07076	29.3
69.65819	14.9
71.04984	6.6
71.08627	27.2
75.14644	2.2
79.05498	70.6
81.03432	7.2
81.06590	5.8
81.07063	100.0
83.05003	22.8
83.08640	17.7
85.06519	4.9
91.05495	62.1
93.06478	5.4
93.07045	78.9
95.04980	18.3
95.08612	48.9
97.06527	16.2
97.10168	10.3
99.08089	24.6
105.07034	40.6
107.04961	5.0
107.08607	47.3
109.06529	8.3
109.10169	17.1
111.08077	7.5
113.09657	4.3
117.07025	18.6
119.08601	27.3
121.06506	7.0
121.10161	17.4
123.08106	5.0
123.11744	7.6
125.09640	9.1
129.07028	7.6
131.08556	22.1
133.10133	25.8
135.08057	4.0
135.11676	14.2
139.11214	4.1
143.08571	10.8
144.03369	2.3
145.10135	10.6
147.11682	11.7
147.19600	2.5
149.13280	20.2
151.11203	25.2
153.12668	3.0
155.08618	3.7
157.10181	7.1
159.11725	10.0
161.13249	14.8
163.11237	13.1
163.14809	3.1
165.12741	6.2
171.11678	7.2
173.13306	4.5
175.11142	3.6
175.14845	3.7
177.12759	8.2
179.14354	9.5
183.11765	3.5
185.13246	3.1
189.11229	4.2
195.13788	9.8
203.14066	3.2
227.12862	6.3
231.21147	4.3
241.19568	4.1
251.16322	3.5
259.20609	10.2
269.17487	35.3
277.21661	33.0
295.22470	3.9
351.25296	28.7
431.27914	2.7
445.29590	4.2
453.33688	4.9
463.30688	36.0
527.37024	5.7
545.38446	42.6
563.39111	4.6
627.46075	5.6
698.44659	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09224	1.2
53.03942	1.9
55.05512	30.8
57.03448	10.1
57.07080	14.8
61.02930	26.1
67.05136	1.5
67.05508	40.4
69.03418	4.4
69.07072	49.6
70.11623	1.3
70.18713	2.8
70.19076	2.9
71.04982	2.2
71.08645	8.8
73.02927	7.3
74.04436	1.1
75.04492	2.7
79.05503	16.9
81.03423	2.9
81.06586	2.7
81.07059	48.2
83.04987	2.0
83.08620	36.7
85.02906	27.0
85.06547	3.0
85.10188	5.7
91.03960	23.8
91.05485	3.5
93.07050	24.7
95.04963	2.3
95.08611	49.5
97.02892	15.2
97.06527	9.0
97.10172	24.5
98.21054	2.8
99.04472	1.8
105.07056	2.1
107.08602	20.1
109.02861	1.6
109.10159	24.9
111.08096	5.4
111.11723	8.4
115.03906	2.6
116.34505	1.3
116.87219	1.5
119.08550	1.5
121.10149	38.3
123.11694	8.0
125.09633	3.8
125.13241	2.2
127.03931	8.4
135.11697	31.0
136.06206	4.5
137.13268	4.1
139.11142	2.0
143.14330	1.6
145.04924	9.4
149.13252	14.2
151.14798	3.2
153.12782	1.8
156.66284	1.4
163.06021	16.0
163.14844	5.4
165.16417	4.2
167.14299	1.9
177.16466	3.2
178.08635	1.8
191.18004	3.6
199.17006	1.6
247.24199	36.0
265.25278	90.5
274.18332	1.9
283.26321	17.5
339.28949	100.0
340.29263	3.5
357.30008	45.9
358.30338	2.5
501.34268	3.3
597.92188	1.5
654.43256	2.6
698.45880	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	698.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.05272	2.4
55.05515	37.0
55.06860	1.7
57.03429	9.4
57.07082	18.0
61.02925	29.6
67.05503	45.3
69.03412	5.8
69.07072	52.7
69.80544	9.6
71.04970	2.0
71.08635	11.4
73.02912	11.0
75.04457	4.2
76.06988	1.8
79.05492	26.4
81.03410	4.7
81.07053	60.6
83.04967	1.7
83.08151	3.6
83.08617	46.0
85.02431	3.0
85.02903	33.8
85.10173	9.4
91.03956	35.2
91.05480	9.1
93.06493	2.2
93.07053	32.2
95.08611	59.0
97.02902	20.3
97.06519	9.4
97.10176	32.7
99.08089	2.4
99.21715	1.7
105.06989	2.7
107.08607	21.6
109.10166	30.0
111.08093	4.3
111.11710	6.9
117.54608	1.9
119.08553	2.9
121.10149	49.1
123.11721	11.2
125.09639	4.1
127.03907	11.7
135.10716	2.2
135.11705	35.7
137.05984	5.3
137.13269	2.4
139.11195	3.1
142.40686	1.6
145.04951	13.7
147.11638	2.3
149.13266	15.3
151.14809	6.4
163.06035	19.8
163.14810	4.5
165.16370	5.3
167.14224	3.4
170.62578	1.8
177.16377	4.2
191.17966	3.7
237.31805	1.9
247.24210	35.8
252.17883	1.9
265.25275	100.0
266.25555	2.1
283.26324	21.0
339.28958	84.1
357.30008	53.2
654.43408	2.9
698.46075	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.2
57.03428	3.2
61.02929	7.8
67.05513	15.0
69.03416	5.3
69.07064	2.4
71.04971	1.8
71.51801	2.2
73.02924	5.6
79.05473	4.0
81.03422	2.8
81.07055	8.3
83.08604	2.0
83.32450	1.2
85.02919	6.6
91.03931	5.1
91.05473	4.2
93.07037	5.4
95.08595	3.4
97.02898	5.5
101.02396	2.2
105.07027	2.3
107.08578	3.1
107.50462	1.1
109.02869	1.2
109.10144	8.8
117.07026	1.2
119.08595	3.4
121.10117	1.6
126.15972	1.2
127.03957	2.2
131.08572	1.5
133.10135	1.3
135.08018	1.2
155.10677	1.4
173.11748	4.5
175.27786	1.1
185.04247	4.7
229.14468	1.4
232.20000	1.1
243.08386	3.6
301.09012	6.9
315.10394	2.3
327.13971	1.2
343.13687	1.5
358.16388	1.5
358.66635	2.1
369.14740	1.3
371.16763	3.1
373.10931	2.3
385.18292	1.6
413.17847	23.7
414.04089	1.3
421.30740	1.1
425.21487	3.0
441.26630	1.4
453.20682	5.1
472.62613	1.2
484.22809	1.5
485.19965	5.2
499.21655	1.9
506.56534	1.4
541.26221	3.2
553.29657	2.4
567.31427	28.7
568.32074	1.4
596.31763	7.3
597.32367	1.8
625.31989	100.0
626.32050	4.3
628.30243	4.8
651.33362	6.7
697.33972	36.3
697.44641	1.7
698.33624	2.2
699.61835	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
62.52514	1.7
65.48539	1.5
69.07063	2.6
70.06573	3.1
70.16965	4.9
79.05483	1.8
81.07022	2.1
89.04296	1.7
93.07052	2.0
94.06573	2.0
98.21477	2.2
105.07034	2.4
107.08648	2.4
111.73104	1.8
121.06526	2.4
122.06027	3.1
137.06003	2.2
138.33711	1.5
140.07095	4.3
146.06058	2.7
148.07573	1.6
152.07085	2.8
153.01859	3.5
156.10147	2.0
172.03937	2.7
174.05383	2.5
194.08162	2.1
206.08250	1.7
225.10191	3.4
236.09508	2.7
237.10295	5.0
243.11299	2.6
249.10379	7.7
250.11003	3.8
251.11804	13.6
253.09746	7.2
263.11725	5.1
265.09705	15.9
267.11261	4.7
278.10464	5.4
279.07953	4.1
279.11307	16.5
280.11987	5.3
285.12469	3.0
291.11179	2.0
293.09180	6.9
293.12830	5.6
294.09982	3.3
295.10684	6.0
297.12326	6.2
303.13562	3.2
307.10684	4.8
309.12369	8.4
310.12744	2.2
311.10461	3.1
311.13934	3.5
312.11151	9.1
313.11771	4.7
323.13843	2.1
324.10959	5.6
325.11801	18.3
326.12280	2.2
327.13419	49.5
335.10358	5.7
336.11093	2.1
337.11740	4.1
339.13425	92.1
340.13986	5.8
341.14819	2.7
353.11362	9.9
367.12952	71.0
368.13593	11.3
369.14453	5.1
385.13959	6.1
399.15503	15.1
401.17355	2.0
415.15292	1.8
416.16104	2.1
442.31558	1.8
474.16293	2.3
476.18057	5.1
508.20840	84.8
508.28464	4.0
509.21445	3.4
526.22070	3.0
539.22162	2.3
540.23456	100.0
541.23785	4.0
615.24377	10.6
715.25824	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40199	1.0
58.84518	0.8
61.08115	0.8
67.05499	1.2
69.07071	5.0
69.59314	4.8
69.59712	1.9
70.06599	1.0
79.05510	0.9
81.07039	1.7
91.05488	1.7
93.07040	2.1
94.06586	1.2
95.08642	1.1
98.21462	2.1
105.07009	1.5
121.06539	1.5
122.06048	1.9
131.08582	1.1
133.17834	0.9
136.07610	1.3
137.05884	0.9
138.05511	1.1
139.03891	2.1
140.07063	6.3
144.08040	1.3
146.05969	1.2
152.07069	1.3
153.01834	5.7
154.08652	2.2
164.07091	3.7
172.03949	1.3
176.07117	1.7
197.08195	1.3
204.06551	1.9
206.08234	1.5
208.09752	1.8
221.10747	1.6
222.11519	3.6
223.12253	1.6
235.08675	1.3
235.12212	2.0
236.09259	3.4
237.10159	2.1
237.13857	1.1
247.08662	4.5
248.09399	6.1
249.10275	14.5
250.11035	6.0
251.11923	5.4
261.10269	5.0
262.11075	5.8
263.11804	71.6
264.09790	1.2
264.12415	6.3
265.09662	2.4
265.13339	4.8
267.11166	2.2
275.08447	1.3
276.08917	1.5
277.09714	15.2
278.10498	2.2
279.11252	17.5
280.11862	3.9
281.12842	10.2
282.13501	8.0
285.12384	1.6
289.09814	2.3
290.10489	6.5
291.11282	27.3
292.12051	7.1
293.09204	2.8
293.12802	2.6
294.09912	2.7
295.10849	14.2
295.14194	2.2
296.11444	1.8
297.12375	2.6
303.07663	2.3
307.10748	10.7
308.11478	3.1
309.12338	43.6
310.12927	4.1
311.13507	2.6
313.11810	2.1
314.12451	1.0
318.09982	4.1
321.12311	1.8
323.13913	47.6
324.14386	2.7
325.11862	3.0
327.13449	2.4
332.10974	0.9
335.10388	5.4
336.11066	36.6
337.11777	12.2
338.12476	3.3
339.13348	4.4
340.14047	1.5
341.15070	6.6
345.14505	2.4
349.11798	1.3
351.13306	1.8
353.11246	2.3
354.12177	1.5
355.12799	2.2
356.13693	0.9
367.12906	36.1
368.13678	43.8
369.09991	2.0
369.14478	30.3
370.15118	3.7
399.15555	10.2
401.16986	2.0
402.13660	1.1
435.18109	1.1
476.18097	6.4
478.19705	3.4
480.21216	1.8
482.22208	1.8
489.18787	3.9
493.18555	1.7
494.18967	2.8
497.90637	1.0
507.19522	1.9
508.20810	85.8
509.20856	5.1
510.22433	11.5
526.21851	7.3
540.23438	100.0
541.23712	4.4
563.79932	1.0
587.11005	1.0
615.24310	4.8
629.25555	4.2
633.24976	3.3
639.00928	0.9
647.26062	4.2
665.28259	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	697.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29530	4.8
69.13271	5.1
70.64540	15.2
71.60460	4.1
77.31150	4.4
81.89090	4.6
122.06059	18.9
140.07092	22.1
146.06013	12.2
148.07607	5.4
158.09718	5.3
167.53258	4.8
172.03972	11.7
174.05606	11.5
176.07065	9.7
180.13176	4.9
183.28386	5.1
204.06633	18.5
225.10313	6.5
243.11252	12.1
249.10231	7.5
251.11862	18.9
253.09596	9.1
265.09775	17.6
266.10422	7.0
278.10403	10.6
279.11343	22.3
281.12766	6.1
285.12228	14.9
293.09070	5.8
303.13397	28.6
309.12140	7.8
312.11096	12.2
313.11926	33.2
314.34158	5.5
325.11850	18.9
327.13306	43.6
331.12939	8.8
333.14481	6.5
336.10593	5.7
339.13440	84.7
345.14392	20.2
353.11493	9.5
367.12863	61.8
368.13785	5.2
369.14645	6.0
372.13611	9.8
399.15579	16.4
415.15411	13.0
416.16171	15.7
446.17670	5.6
456.15329	5.9
474.16501	18.1
508.13638	8.8
508.20834	100.0
540.23419	94.8
615.24487	83.4
616.24658	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	697.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80514	0.7
67.05505	1.7
69.07074	0.9
69.18655	8.0
85.23650	0.7
91.05443	0.7
122.06028	1.3
136.07594	1.2
140.07080	2.6
152.07101	0.7
164.07014	1.3
164.10820	0.7
165.71298	0.7
172.04070	1.2
186.66618	0.7
192.25952	0.7
200.61357	0.7
204.06633	1.4
211.08643	0.8
221.10796	1.7
222.11536	4.8
225.10216	1.2
235.12425	0.8
236.09341	2.4
236.13158	0.9
237.10262	2.3
237.13924	1.1
237.29051	0.8
239.11737	1.1
247.08662	2.4
248.09416	4.4
249.10205	12.4
250.10991	4.2
251.11809	4.8
253.10056	0.7
257.08282	0.8
261.10248	4.5
262.11017	6.7
263.11813	67.0
264.12518	6.0
265.09811	2.3
265.13364	3.7
267.11414	1.7
267.16013	1.1
271.73816	0.7
275.08133	1.3
276.08981	1.1
277.09750	14.4
278.10416	1.4
279.11307	16.5
280.12021	2.2
281.12863	9.2
282.13538	8.0
289.09622	3.6
290.10583	4.1
291.11279	25.5
292.12061	7.6
293.09573	1.6
293.12924	3.4
294.09875	1.3
295.10828	14.4
295.14246	1.5
296.11612	1.8
297.12335	1.0
302.12817	0.9
303.07605	1.6
303.13556	1.0
307.10815	9.1
308.11551	2.7
309.12341	42.6
310.12918	2.2
311.10428	0.8
311.13794	1.7
312.10977	1.0
313.11838	0.9
318.09976	5.6
319.10834	1.3
321.12155	1.2
323.13916	43.3
324.14539	2.5
325.11740	1.8
327.13309	5.5
335.10281	4.8
336.11047	41.7
337.11774	10.1
338.12381	1.8
339.13461	7.6
341.15073	6.3
345.14505	3.0
349.11887	1.7
351.13708	1.8
353.11368	2.2
354.12250	1.0
355.12930	1.7
356.14096	0.8
367.12891	37.9
368.13678	44.6
369.14465	30.9
370.15256	3.1
385.14050	1.3
399.15552	10.0
400.16373	1.3
401.17114	2.3
448.18860	1.0
474.16718	1.3
474.54825	1.0
476.18140	7.8
478.19711	4.7
489.18900	4.2
490.19894	1.3
493.34705	0.8
494.18967	3.6
508.20819	78.0
509.21170	4.5
510.22437	11.3
524.20270	1.1
525.20618	1.4
526.21967	7.0
540.23444	100.0
541.23816	6.5
615.23926	3.5
629.26715	3.8
633.25317	4.1
647.26898	1.8
665.28320	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	697.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
67.20346	0.5
68.05040	0.6
69.42142	4.5
74.44047	0.5
80.05033	1.0
82.89420	0.6
91.05478	4.8
92.05010	0.8
92.05814	1.0
93.05759	0.8
93.07037	5.8
94.06570	2.1
94.07328	0.6
95.04962	1.1
96.04499	0.7
98.20735	0.7
103.05449	2.1
105.04494	0.8
108.04510	0.9
109.19917	0.6
110.06045	0.5
111.08116	1.3
120.04454	1.2
120.08055	0.9
121.06510	100.0
122.06020	4.9
122.06835	27.0
123.03173	1.7
123.06895	0.7
124.03964	7.3
124.05273	0.6
134.06078	0.8
134.09671	1.4
135.08086	1.0
136.07582	4.0
138.09126	1.0
139.03986	0.7
140.03401	1.3
140.07091	1.3
142.05020	1.9
146.06035	1.0
148.03870	3.7
148.43997	0.7
149.04773	1.0
150.05531	2.7
150.09200	0.8
152.10751	1.4
153.01831	15.6
153.02847	0.7
154.02179	3.4
154.05000	1.1
154.08652	1.8
156.06572	10.4
156.07887	1.2
158.09706	0.6
160.07565	1.2
162.05576	0.8
162.09151	11.5
163.07504	1.2
164.07065	6.3
165.05495	2.0
166.04926	0.8
168.06627	0.9
172.07599	2.1
174.07813	0.6
174.09200	0.8
176.03438	1.8
177.04260	0.8
180.06551	2.4
180.10204	12.9
182.08176	1.7
184.07597	2.0
186.09166	2.2
187.12297	0.7
189.10191	1.0
190.04993	1.0
190.08600	3.3
192.06589	1.6
198.09128	2.0
200.07100	3.6
201.10231	3.3
202.08681	0.7
204.06595	0.8
206.08264	0.6
207.08765	0.7
208.09711	39.3
209.10385	2.0
212.07062	1.0
214.08708	2.8
215.11765	3.1
217.09718	3.0
224.09224	1.4
225.10271	0.8
226.08742	1.0
227.08176	1.2
228.06595	1.5
228.10239	0.7
229.09711	8.6
231.11319	0.7
239.11765	1.0
241.09772	0.8
242.08250	0.7
242.10518	1.2
243.07646	0.8
243.11295	9.3
245.09212	11.2
247.14528	0.9
253.09691	1.1
257.09305	0.9
257.12885	1.0
258.11176	2.2
259.10876	6.9
267.11316	2.4
268.09766	1.1
271.10764	12.7
273.07620	7.2
273.12286	0.8
274.07983	4.0
281.09259	1.9
285.12323	2.8
286.10754	1.7
287.10284	8.1
288.11008	0.9
289.11862	4.4
290.10208	20.6
291.10583	15.6
291.13101	0.6
292.10876	0.8
295.10791	5.5
299.10208	2.8
301.11847	2.3
303.13351	0.7
305.11292	2.3
308.11337	0.8
309.11578	1.1
313.11923	4.9
314.10242	0.9
315.13638	0.7
317.11301	1.5
319.12924	6.8
324.10922	0.7
327.13412	5.6
330.12247	2.9
331.12888	28.0
335.12387	14.5
337.13849	1.8
340.74789	0.7
345.14456	9.0
361.13950	0.8
362.14850	1.9
363.15503	60.4
364.15723	2.0
647.22955	0.7
665.24915	3.2
695.55151	0.7
697.27252	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	697.272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03974	1.1
55.01886	1.3
55.05511	1.5
67.05519	1.0
68.05029	3.5
70.06588	3.5
71.50276	1.4
71.56026	0.8
80.13258	0.8
81.03413	1.5
84.08170	1.2
91.05487	4.2
92.05008	2.5
93.07053	5.3
94.06569	4.3
95.04990	2.7
96.04490	1.8
106.06595	1.3
107.05037	0.9
107.08606	1.0
108.04427	0.9
108.08114	3.4
110.06065	2.9
111.08063	5.1
116.07127	3.1
117.07048	1.2
120.04442	2.4
120.08141	2.5
121.05278	2.7
121.06519	2.9
122.02393	1.5
122.06037	10.6
123.03191	2.5
123.04440	1.0
124.03970	16.7
124.07648	1.6
126.70029	0.9
134.06036	1.4
134.09659	4.1
135.08101	1.6
136.03960	1.2
136.07579	10.3
137.06009	2.6
138.09125	1.9
139.03935	2.3
139.07616	0.9
140.03391	2.5
140.07108	3.1
141.04245	1.1
142.05020	7.3
144.08102	2.2
146.06053	1.4
148.03918	6.4
148.07591	1.0
149.04744	2.9
150.05495	3.0
150.09186	1.2
152.07080	1.6
152.10715	1.9
153.01860	5.2
153.02898	1.0
154.05023	2.6
154.08571	5.0
156.06566	30.6
158.09642	1.3
160.07646	2.0
162.05539	1.2
162.09137	28.3
162.25609	1.1
163.07576	1.7
164.07080	14.8
166.04993	2.9
167.05846	0.9
168.06511	1.6
170.09732	1.2
172.07597	2.8
174.05504	1.7
174.09212	1.6
175.08636	1.4
176.03493	2.9
180.06604	5.9
180.10213	26.1
181.07320	1.3
182.08139	4.1
183.39848	1.0
184.07625	3.5
186.09142	5.0
187.08618	1.5
188.07199	1.2
189.10300	2.3
190.08617	5.8
192.06577	2.1
198.09189	4.3
199.08603	1.4
200.07069	7.4
200.09157	0.8
201.10292	4.2
203.11867	1.4
206.08154	1.2
207.08972	3.7
208.06200	3.3
208.09700	78.7
209.06879	1.4
209.10416	2.7
210.07579	1.0
211.12199	1.0
212.07091	1.2
213.10094	1.6
214.08701	5.6
215.08217	2.3
215.11821	6.7
216.08896	1.6
217.09764	4.2
224.09244	2.3
225.10219	2.0
226.08661	2.7
226.10905	1.0
227.08183	2.8
227.11856	1.4
228.06546	3.2
228.10165	2.0
229.09764	11.3
230.10303	1.0
231.11328	2.1
239.11766	2.6
240.10240	1.6
241.09821	2.1
242.08228	2.3
242.10571	1.8
243.11272	15.4
245.09232	21.7
253.09801	2.2
255.11290	2.0
256.09781	1.3
257.09100	2.4
257.12924	4.6
258.11331	3.1
259.10797	24.5
267.11365	5.6
268.09668	2.3
271.10828	17.4
273.12451	2.2
275.10278	1.0
276.75082	0.9
281.09171	3.0
283.10849	2.2
285.12384	7.0
286.10828	2.7
287.05457	4.1
287.10278	12.0
289.11816	7.3
295.10751	11.2
299.10144	5.2
301.11841	16.8
305.11392	3.8
312.08701	3.0
313.11914	8.1
314.10251	1.6
317.11404	2.9
319.12894	40.5
320.13400	1.2
327.13348	13.4
330.12299	2.7
331.12921	23.8
335.12399	28.2
337.13919	12.5
344.11404	3.4
345.14505	23.5
346.13153	1.0
361.13992	2.2
362.14841	3.8
363.15518	100.0
364.15955	2.7
430.11432	1.1
473.16226	1.0
540.18567	1.1
629.23187	1.0
647.22693	1.2
665.24335	1.5
679.25494	1.4
697.27222	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	696.505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.0
55.01869	10.5
55.05271	3.1
55.05515	39.3
57.03435	12.1
57.07058	6.5
57.49003	2.4
65.03935	5.5
67.05512	90.4
69.03417	4.2
69.07069	42.5
69.26189	17.4
71.01363	2.5
71.04988	8.4
71.08648	11.3
75.53819	2.3
79.05499	83.0
81.03442	10.2
81.07064	100.0
83.04979	17.6
83.08622	30.6
85.06564	4.0
85.10201	2.3
89.06059	3.8
91.05489	66.5
93.07052	90.8
93.07641	4.9
95.04977	24.2
95.08614	58.6
97.06535	20.0
97.10178	11.1
99.08108	13.4
105.04516	4.2
105.07047	58.5
107.04968	10.5
107.08603	53.0
109.06536	5.5
109.10170	19.3
111.08087	7.6
113.09666	2.4
115.05470	4.0
117.07035	29.3
119.08593	34.6
121.06495	5.6
121.10155	21.3
123.08052	6.0
123.11710	7.9
123.51453	2.1
125.09631	9.4
129.06979	9.6
131.08575	29.9
133.10132	25.9
135.08058	6.0
135.11700	22.5
137.09598	3.8
137.13268	2.7
139.11151	3.7
141.07016	2.8
142.07753	2.9
143.08597	10.7
145.10136	21.5
147.08151	2.5
147.11725	18.8
149.09636	10.7
149.13249	21.6
151.11206	16.6
155.08591	3.8
157.10152	7.4
159.11678	16.8
161.13297	9.4
163.11206	17.2
165.12796	5.5
169.10173	3.4
171.11623	7.7
173.13316	6.0
175.11147	4.0
175.14888	3.7
177.12755	9.0
179.14345	7.1
183.11679	4.1
185.13306	5.4
189.11224	5.4
189.16342	3.0
193.12437	2.6
195.13779	12.5
197.13263	4.1
199.14909	3.6
201.16298	3.7
204.16507	2.2
216.99353	2.5
227.12761	8.4
229.19571	2.6
229.61137	2.3
231.20949	2.3
239.18166	2.6
241.19609	2.8
255.15901	6.7
257.18973	7.8
259.20648	7.0
262.25253	5.0
269.17548	30.1
275.20129	29.7
277.21643	21.0
295.22684	2.7
320.74945	2.5
349.23813	20.6
351.25320	17.7
367.24707	7.1
369.26416	3.2
449.28989	14.7
453.33511	3.2
463.30606	25.7
482.24185	2.4
527.35840	3.2
531.36450	4.1
543.37067	17.1
545.38336	12.2
561.38214	4.7
625.44171	5.5
643.45685	3.7
696.43378	3.5
697.42932	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	696.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01872	0.2
69.25576	0.2
71.49970	0.1
77.03929	0.2
79.01849	0.2
82.40560	0.1
85.02899	0.3
91.05481	3.2
93.06478	0.3
93.07047	4.2
94.07380	0.2
95.01308	0.2
95.04967	0.7
96.04517	0.1
97.02896	0.4
103.05469	2.6
105.04514	0.4
113.02385	0.3
119.04948	0.3
121.06506	100.0
122.06020	0.5
122.06832	3.8
123.07096	0.5
123.08038	0.2
124.03956	0.5
125.02362	0.5
136.07558	0.2
137.05995	0.2
138.09143	0.4
141.01860	0.4
142.04996	0.2
143.03427	0.6
147.04361	0.6
148.03992	0.1
150.05542	0.2
151.03857	0.2
153.01830	16.7
153.02847	0.8
154.02168	0.4
154.08557	0.2
155.02307	0.2
156.06523	0.5
160.07518	0.1
162.09076	0.8
164.07092	0.4
165.05482	4.2
176.03386	0.2
179.03311	0.1
180.10167	0.7
184.07570	0.2
187.02269	0.2
198.09132	0.1
201.10176	0.2
208.09677	2.3
209.15344	0.5
214.08643	0.2
215.06993	0.2
217.09795	0.2
227.16429	0.3
229.09669	0.4
243.11259	0.7
245.09232	0.6
258.05325	0.2
258.11224	0.2
259.10794	0.5
271.10748	0.6
273.07568	9.9
274.07925	0.7
275.08102	0.3
287.10321	0.4
288.08536	0.2
290.10226	28.7
291.10571	1.5
292.10831	0.5
295.10776	0.4
307.08136	0.3
308.11279	1.7
313.11658	0.3
319.12817	0.4
324.10809	0.7
327.13519	0.2
331.12830	1.4
335.12375	0.8
345.14404	0.4
363.15515	3.3
493.15097	0.2
665.24969	0.2
697.27014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75530	1.5
53.03936	2.3
55.05513	17.2
55.64533	1.5
57.03442	7.4
57.07080	9.4
61.02930	27.4
65.03923	2.4
67.05508	75.0
69.03424	5.7
69.07070	22.6
71.04991	1.5
71.08624	6.4
71.24879	3.5
73.02930	9.6
79.05496	23.8
80.87927	1.4
81.03405	1.8
81.07061	90.7
83.08621	19.1
84.29303	1.5
84.69074	1.4
85.02910	35.8
85.06518	2.1
85.10175	2.9
91.03410	2.4
91.03957	26.5
91.05489	13.0
93.07043	25.4
95.04966	2.2
95.08614	74.5
97.02898	13.7
97.06532	6.5
97.10149	11.4
99.04440	2.0
99.08080	3.8
105.07027	12.3
107.08597	19.1
109.06486	2.1
109.10162	36.1
111.08056	5.1
111.11707	2.8
115.03888	2.9
119.08586	9.9
121.09341	2.2
121.10149	24.6
123.11699	20.8
125.09631	2.6
125.13291	1.6
127.03924	11.0
131.08603	2.3
133.10120	14.2
135.11699	11.6
137.13274	7.8
141.12752	1.8
145.04948	11.7
145.10152	1.6
147.11694	9.4
149.13255	9.8
151.11115	1.4
151.14789	7.4
155.14281	3.1
161.13255	15.6
163.06033	20.6
163.14783	13.3
165.05502	1.6
165.16437	10.5
175.14803	9.5
177.16360	2.1
179.17928	9.4
181.16019	1.5
182.81299	1.6
189.16389	6.5
203.18074	1.8
217.19446	2.5
245.22667	64.9
246.22862	1.6
263.23724	100.0
264.24054	3.1
265.25366	2.9
269.28333	1.8
281.24844	1.9
337.27405	48.3
338.27490	1.8
349.16684	2.3
355.28354	9.7
570.06348	1.8
596.63983	1.5
677.37701	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56863	1.2
56.57155	1.1
61.60456	1.2
62.83134	1.1
69.07066	1.3
70.06597	12.0
70.13861	4.1
72.87772	1.2
79.78207	1.0
85.02962	1.2
86.09704	2.2
94.06554	2.3
100.30360	1.1
106.06554	1.9
118.93871	1.1
120.08082	1.9
121.06461	1.6
122.06026	7.5
124.07589	2.0
136.07600	11.0
137.05972	1.4
138.09132	1.3
139.03867	2.1
140.07018	2.5
144.08156	1.3
146.05984	1.9
146.09659	1.6
148.07594	6.2
152.07053	1.5
153.01855	1.8
162.05566	1.9
164.07086	25.3
166.08653	21.3
168.06583	2.4
172.03918	3.4
174.05522	3.4
174.07771	1.1
176.07097	6.0
179.37476	1.1
183.14980	2.5
188.54942	1.1
190.04993	2.0
203.57779	1.3
204.06583	1.3
209.10809	1.3
210.11546	3.5
211.02071	1.3
211.12181	1.6
220.09958	1.3
221.10846	1.2
222.11598	1.7
223.12325	3.6
224.12988	2.4
225.10300	1.6
225.13844	1.4
227.11896	1.8
235.08643	1.8
235.12328	2.9
236.13112	1.7
237.10255	8.8
237.13907	3.3
238.10962	7.2
239.11769	12.0
248.09456	3.9
249.10217	8.9
250.11000	4.4
251.11801	12.9
252.12550	2.8
253.13358	3.0
263.11853	21.2
264.12500	5.2
265.09772	9.2
265.13342	36.8
266.13934	2.3
267.11313	3.2
269.12906	2.8
271.14313	1.5
277.09854	5.9
278.10510	3.8
279.11301	54.3
280.11984	3.4
281.12741	3.3
283.14282	2.8
285.12238	1.6
287.13837	2.4
291.11365	6.6
292.11969	2.7
293.12866	8.6
294.13757	3.2
295.10806	5.3
296.11557	2.1
297.12360	27.2
298.13165	4.1
305.14850	1.8
309.12366	60.9
310.13141	29.1
311.13962	29.5
312.14563	5.3
313.11966	2.5
313.15500	3.3
315.13416	3.7
319.10690	7.0
320.11453	2.1
321.12366	3.7
323.10315	1.5
323.16031	2.5
324.10910	1.7
325.11392	1.7
337.11862	100.0
338.12582	36.5
339.13446	24.8
341.11343	3.3
369.14490	36.8
370.15149	6.8
371.16064	18.6
384.13013	1.6
398.15112	1.5
399.15475	3.8
400.16470	3.6
401.13400	3.4
458.16995	5.1
476.18137	4.6
478.19617	2.3
480.21344	45.4
481.21344	1.8
494.19046	5.3
506.19308	64.9
507.19632	2.5
508.20520	2.2
524.19995	5.2
538.21906	49.3
539.22089	4.1
603.24219	3.2
619.27417	1.6
627.24268	7.7
635.27612	2.4
645.25507	8.8
659.25232	1.6
663.17883	1.5
663.26740	16.6
695.27747	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01883	2.1
55.05519	13.2
57.03441	4.3
57.07063	1.1
59.04997	1.1
62.85164	0.9
65.03951	2.2
67.05511	44.4
69.03410	1.1
69.07079	11.8
71.05003	6.9
71.08600	1.3
73.06574	0.8
79.05501	32.7
81.03402	1.5
81.07064	33.9
83.04980	2.0
83.08631	7.2
85.06559	1.1
91.05488	19.4
93.06486	1.8
93.07056	33.7
93.07642	2.0
95.04998	2.4
95.08619	22.3
97.06540	5.6
97.09631	0.8
97.10155	5.3
98.21529	2.7
99.08140	1.6
105.04526	1.8
105.07040	14.4
107.04977	2.5
107.08593	17.2
109.06523	1.5
109.09474	1.2
109.10174	15.2
111.08063	1.9
117.07025	7.5
119.08588	10.6
121.06513	1.6
121.10172	11.1
123.11710	2.6
125.09660	2.8
128.06203	1.1
129.07024	2.5
131.08583	7.9
133.10124	9.3
135.08087	1.8
135.11725	6.5
137.09636	1.3
143.08575	1.8
145.10146	7.0
147.11726	4.6
149.09576	2.0
149.13271	4.2
157.10155	1.4
159.11731	7.0
161.13283	2.3
163.11206	2.1
163.14832	1.2
169.10121	1.1
171.11649	2.1
173.11792	2.5
173.13332	2.6
175.14862	1.1
177.12773	1.9
187.14822	2.2
189.11220	1.1
201.16406	1.1
227.12785	5.3
228.46420	0.9
229.14337	8.2
232.70026	0.8
243.21184	1.4
257.18973	2.8
259.20413	1.2
261.22226	3.9
275.20090	8.8
335.25784	17.2
335.29355	1.3
346.94388	0.9
349.23727	4.9
374.70187	0.9
380.19504	0.9
381.26361	1.1
392.19830	1.3
393.20847	1.6
394.21030	2.1
396.54837	1.0
406.17639	3.0
407.22455	2.2
408.22769	3.7
419.17950	1.3
420.18967	1.8
421.19946	3.8
422.20575	3.5
434.20779	3.4
435.21634	5.2
436.22324	5.6
437.34106	1.2
447.21881	1.1
448.22144	1.4
449.20123	1.8
450.20197	2.9
459.21460	1.1
460.21893	2.7
461.23340	1.8
463.20831	1.0
464.21829	1.9
471.34131	1.1
489.35831	7.4
521.25519	3.4
522.25983	9.2
522.38605	1.1
529.38947	68.9
530.39063	1.8
546.29950	1.4
547.29932	2.7
548.31830	1.7
560.31537	1.1
581.27551	1.1
582.27966	2.8
591.29181	1.1
592.30029	1.3
594.17432	1.0
596.47784	1.3
609.45166	7.5
634.34711	10.0
635.34839	1.0
641.48590	4.1
694.36731	100.0
695.37299	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.0
55.01867	8.7
55.05518	28.1
57.03442	11.6
65.03938	4.4
67.05509	76.9
69.03424	5.4
69.07070	32.1
71.05000	5.0
79.05497	67.3
81.03408	9.1
81.07062	100.0
83.04970	9.9
83.08616	21.2
85.06541	4.6
91.05486	58.9
93.07048	69.2
95.04984	23.9
95.08607	40.7
97.06534	15.7
97.10177	8.2
98.21583	3.4
99.08121	4.7
103.05466	2.4
104.06095	2.3
105.07044	49.4
107.04942	13.4
107.08609	38.1
109.06517	9.7
109.10156	14.8
111.08108	4.1
113.05970	3.0
115.05421	3.5
117.07005	24.8
119.08585	41.2
119.88766	2.0
121.06474	15.5
121.10159	22.2
123.08085	8.9
123.11740	5.9
125.09617	10.2
128.06226	2.7
129.07025	10.0
131.08560	29.5
133.10146	33.2
133.69963	2.3
135.08046	4.9
135.11702	17.5
137.09595	4.0
143.08589	7.6
145.10136	23.5
147.08089	3.6
147.11722	17.8
149.09630	21.0
149.13268	12.7
151.11176	4.0
155.08612	5.2
157.10120	6.8
159.11678	20.2
161.09589	3.7
161.13268	6.9
163.11192	18.9
165.12753	4.2
169.10175	7.0
171.11729	3.2
173.11884	3.2
173.13326	8.4
175.11108	4.0
177.12807	5.6
179.14316	2.6
181.12231	2.9
183.11684	3.4
184.07405	2.5
185.13309	3.5
187.14714	2.7
189.11230	6.3
195.13760	3.1
197.13324	4.8
213.16357	2.2
217.15829	2.4
223.13293	8.1
227.12846	6.9
229.19521	4.4
239.17941	5.8
247.20581	4.1
251.16319	3.2
255.15894	9.8
257.18997	16.1
267.15891	3.4
269.17520	20.2
275.20068	60.1
289.28796	2.3
291.19260	3.4
293.21100	9.1
301.70300	2.0
349.23770	35.2
354.18680	2.0
367.24783	21.2
433.30731	3.2
449.28922	12.9
459.37204	2.3
463.30362	9.1
493.65799	2.0
525.36163	2.2
529.34979	3.2
543.36615	12.7
561.38440	2.8
623.42920	6.2
632.45062	4.1
640.05170	2.5
641.43738	8.1
659.45038	4.4
694.48114	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.8
55.01866	9.6
55.05513	46.7
57.03441	30.7
65.03938	7.3
67.05511	89.0
69.03429	6.7
69.07074	39.3
69.55815	17.5
69.56229	8.5
70.06579	4.5
71.04977	9.6
71.69602	3.1
79.05074	5.3
79.05501	86.7
81.03429	5.9
81.07061	86.1
82.07426	4.1
83.04982	10.1
83.08624	29.4
85.02940	3.9
85.06540	8.1
91.05484	100.0
93.07050	80.8
95.04958	10.5
95.08616	55.7
97.06510	13.5
97.10182	28.0
99.08093	7.2
103.05453	4.7
105.07035	83.6
107.04925	8.7
107.08605	52.6
107.46931	4.0
109.06522	21.2
109.10179	24.4
111.08057	7.3
113.06023	5.8
113.09672	4.1
115.05400	5.7
116.07125	4.9
117.07023	55.9
119.08591	54.5
121.06498	12.4
121.10123	19.2
123.08071	8.6
125.09605	15.3
128.06239	9.7
129.07028	30.4
131.08578	60.5
133.10123	38.3
135.08078	12.6
135.11708	16.0
137.09615	5.2
141.07024	13.0
142.07771	11.1
143.08566	27.9
145.10143	48.5
147.11702	25.4
149.09618	14.2
149.13306	6.7
151.11269	3.8
153.07010	3.5
155.08592	16.8
156.09441	4.2
157.10110	26.2
159.11688	34.3
161.09660	5.5
161.13228	10.9
163.11182	10.1
166.07787	4.4
167.08563	8.2
168.09282	5.0
169.10130	15.4
170.10875	4.4
171.11777	17.9
173.13289	13.7
175.14793	6.2
181.10109	11.4
183.11705	15.9
185.13274	30.2
187.14882	9.2
189.11197	11.9
195.11696	8.3
197.13245	12.3
199.14865	5.6
201.12518	4.0
201.16388	6.7
203.14328	12.6
207.11650	8.1
209.13306	6.6
211.14865	6.2
219.17609	5.6
223.14827	5.6
223.66573	3.6
227.12852	22.1
237.16377	4.2
239.17987	11.8
245.13615	4.8
257.19006	23.3
269.17337	4.1
275.20102	41.6
349.23560	26.9
374.50974	3.9
383.27707	4.3
513.36456	4.1
514.36926	3.9
527.37085	5.2
529.35638	4.2
543.37048	10.4
567.00433	4.0
569.39191	4.3
623.42987	10.9
632.45093	8.5
641.43707	4.6
676.47675	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	693.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
61.02414	0.4
67.05512	2.4
67.73901	0.4
69.07060	0.8
71.51778	0.7
79.05490	1.4
81.03402	0.4
81.07065	2.9
83.08647	0.6
91.05485	1.7
93.07047	1.7
95.08603	1.6
95.11721	0.4
96.37612	0.6
97.17495	0.4
98.98456	0.8
105.07067	0.9
105.46009	0.4
107.08549	1.0
109.10140	1.0
117.06945	0.8
119.08579	1.2
121.10168	0.8
123.11710	0.4
131.08617	1.3
133.10118	0.8
135.47815	0.4
145.10120	0.9
159.11719	1.0
184.07355	0.5
235.49829	0.4
363.54440	0.5
377.17743	0.9
378.18549	0.5
379.19098	0.7
391.19339	1.3
392.20285	1.0
393.20712	2.6
405.16693	2.7
405.21811	0.6
406.17850	1.4
407.17902	1.0
407.22797	3.5
408.23160	0.5
419.18243	3.7
420.19238	2.1
421.20163	5.9
422.21371	0.8
423.21866	0.9
431.18881	0.6
433.20004	3.9
434.21249	3.6
435.21967	7.3
436.22696	0.6
445.20526	0.5
446.20828	0.7
447.21875	1.7
449.19608	5.2
449.24707	0.5
451.21017	0.6
457.69299	0.5
459.21725	2.9
460.22467	0.7
461.23584	1.1
463.21304	1.8
464.22360	1.0
465.22833	0.6
477.22360	0.6
479.20752	0.9
493.21954	0.9
507.23636	0.6
517.26154	0.7
521.25574	11.7
521.37952	0.8
522.25592	0.5
523.27289	0.8
533.28876	1.7
535.23370	0.7
545.29022	0.9
546.29742	2.1
547.29974	2.4
549.25079	0.8
559.30719	0.9
581.27893	4.0
591.30170	1.4
595.47510	1.3
606.28369	1.3
633.34314	12.6
634.34747	1.0
693.36334	100.0
694.36774	4.4
711.58173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.1
55.01862	9.7
55.05275	3.4
55.05513	41.7
57.01622	2.4
57.03440	12.9
67.05507	84.4
67.96861	2.5
69.03440	4.8
69.07069	48.0
69.28171	21.5
69.28490	5.2
71.04982	4.6
71.08614	4.2
79.05495	79.6
81.03423	12.0
81.07061	100.0
83.04986	20.7
83.08628	19.5
91.05486	73.1
91.06054	1.3
91.76126	2.3
93.06488	4.7
93.07050	71.7
95.04985	15.0
95.08073	3.7
95.08619	52.5
97.06497	12.1
97.10159	10.2
98.09717	2.2
99.08096	5.3
100.56799	2.4
105.04526	4.7
105.07041	60.7
107.04940	9.3
107.08605	40.6
109.06504	10.0
109.10158	22.4
111.08094	6.7
115.05428	3.3
117.07027	32.0
119.08591	49.7
121.06495	10.8
121.10142	24.3
123.08060	6.7
123.11726	5.5
125.09566	3.5
128.06218	5.6
129.07005	11.8
131.08569	34.0
133.10135	35.8
135.08063	6.4
135.11688	18.4
137.09610	6.1
141.07024	2.8
143.08568	14.0
145.06519	2.7
145.10132	28.3
147.08064	4.9
147.11699	25.1
149.09598	10.4
149.13263	11.5
151.11174	6.8
155.08549	5.0
157.10135	9.5
159.11710	20.3
161.09601	2.8
161.13242	9.5
163.11189	9.1
165.12668	3.7
169.10144	5.5
171.11720	12.4
173.09624	2.8
173.13278	13.3
175.14778	3.3
177.12788	3.1
181.10229	4.1
183.11642	7.5
185.13309	5.0
195.11684	5.3
195.13791	6.6
197.13354	5.4
209.13165	2.6
211.14883	2.6
221.13374	2.9
223.25998	2.4
227.12843	4.7
239.17885	3.7
241.19516	5.5
255.15897	5.5
255.74077	2.4
257.18979	7.3
259.20566	11.3
267.15784	2.8
269.17468	9.1
275.20029	23.7
291.19571	5.1
293.21121	29.3
333.24313	10.5
349.23724	10.9
367.24881	5.7
435.32007	2.4
448.36133	2.7
513.35809	4.8
519.57635	2.5
527.37323	6.4
559.35992	3.0
561.38165	5.4
607.42834	3.8
625.44824	6.5
641.43439	3.6
644.57458	2.6
701.62567	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	693.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67366	1.3
65.86953	1.2
67.05503	2.6
67.25465	1.2
69.07066	1.7
69.55948	4.3
69.56370	4.2
70.06576	1.1
79.01850	1.2
80.04987	1.4
81.03407	2.1
81.07028	1.6
84.60423	1.3
91.05450	1.8
93.07034	3.0
94.06572	12.5
97.02896	1.9
101.00182	1.2
105.05753	1.3
105.07022	1.4
106.65434	1.7
107.08595	1.3
108.08137	1.6
109.10130	1.7
116.04948	2.6
120.08123	1.8
121.06538	1.5
122.05181	2.0
122.06046	37.1
134.06018	3.9
135.08008	1.7
137.06024	1.4
139.03918	1.7
143.03381	2.2
144.04466	6.2
145.10178	1.4
146.06012	11.9
147.06813	2.1
148.07559	5.3
152.07056	3.1
153.00732	2.1
153.01848	24.6
153.03006	2.5
155.13077	1.3
160.07553	2.5
162.05502	3.1
166.05032	2.0
167.07346	1.4
168.06544	12.8
172.03938	22.9
172.05232	1.0
173.04720	12.1
174.05511	16.7
174.09053	1.3
176.07068	16.2
188.07106	2.0
190.04947	4.6
191.05740	6.4
196.09862	1.6
197.10713	3.7
199.08589	2.8
200.09409	1.5
201.10310	1.5
204.06572	40.0
206.08130	6.6
211.08612	4.5
212.09398	2.0
213.10243	4.6
214.11047	2.1
215.11748	4.1
223.08667	1.4
224.09357	1.9
225.10210	5.8
226.10951	2.0
227.11826	2.2
236.09334	1.4
237.10197	2.4
238.10867	2.3
239.11766	3.0
241.09721	3.1
243.11301	34.2
249.10249	4.3
250.10802	1.6
251.11789	2.6
252.08868	1.8
253.09763	1.7
253.13266	1.9
255.11136	2.1
257.09134	1.7
257.12891	2.5
263.08310	2.6
263.11713	3.3
265.09790	3.1
266.10513	2.3
267.11234	5.4
269.09232	3.6
270.09830	1.6
271.10815	3.0
277.09698	2.5
279.11322	6.2
280.12109	2.6
281.09283	1.9
281.12631	1.5
283.10669	9.0
284.11536	3.1
285.09628	1.3
285.12357	28.3
287.10287	4.2
289.11887	3.6
291.11340	1.7
295.10794	2.8
295.14517	1.3
297.12555	1.6
299.10352	6.2
299.13730	1.7
300.11188	1.7
301.11835	3.4
302.12885	2.6
303.13394	84.8
304.14151	3.9
313.11832	10.8
315.13693	3.7
316.10840	3.2
316.14209	2.6
317.11914	1.7
318.15936	5.9
319.16824	3.6
323.10297	1.7
323.13876	2.3
328.14670	2.2
329.11432	3.0
330.12369	5.8
330.16010	1.6
331.13141	3.3
332.13992	1.8
332.17551	2.4
336.10947	1.9
337.11716	2.7
341.11359	44.9
342.12033	1.9
342.16089	1.7
344.13989	3.9
345.14899	1.9
346.15585	7.8
347.16257	6.7
355.12973	2.8
356.13815	3.5
357.15222	2.0
358.11737	2.6
358.15546	4.0
359.12314	11.7
360.17026	6.3
368.13528	1.8
370.11594	2.2
370.15674	2.8
371.12686	2.5
372.13419	9.8
373.13989	16.0
374.14853	7.5
378.18176	2.5
383.18048	1.4
384.13120	1.8
385.14362	2.2
386.14999	14.5
387.16003	15.2
388.16714	8.4
398.15256	2.6
399.15729	1.9
400.12137	1.7
400.16742	3.0
401.17844	2.0
402.14114	3.4
402.18665	2.4
404.16241	7.9
405.17017	4.0
406.17673	9.5
414.14319	10.2
415.15341	22.2
416.16080	29.6
418.17831	2.9
428.16061	2.8
430.17612	8.4
431.18451	2.8
432.15610	3.6
433.16483	8.8
434.17139	6.3
446.17105	8.3
447.17749	4.5
456.15488	5.4
460.15015	1.9
474.16623	51.9
475.17407	30.7
476.18240	8.4
489.18579	1.5
492.17459	1.7
506.19254	9.5
507.19855	4.6
524.20044	1.4
536.20062	3.5
557.86292	1.6
597.22284	1.4
601.22845	6.1
625.22791	9.8
643.24017	100.0
644.24072	4.3
675.25433	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	693.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49476	1.2
67.05493	3.4
69.03442	1.7
69.07070	2.0
69.38838	11.0
70.06596	2.4
75.79878	1.4
79.05474	3.4
80.05014	1.7
81.03431	1.7
81.07050	2.4
91.05494	3.8
93.07051	1.4
94.06560	7.8
95.04993	2.7
95.08627	2.3
98.20664	1.9
105.07063	2.9
107.79797	1.4
108.08138	1.8
109.02887	2.6
111.08161	1.7
116.04942	1.6
118.06512	1.6
119.05001	1.6
119.08621	1.5
120.04490	2.4
120.08105	2.4
121.10230	1.8
122.06038	27.8
124.07577	2.4
131.08583	1.3
134.05986	2.4
137.06065	1.5
138.05534	2.4
138.09003	1.5
139.03929	4.2
144.04463	4.3
146.06033	12.3
148.07602	3.5
152.07106	1.6
153.01842	24.8
153.03003	3.1
154.04987	6.2
160.07561	2.0
162.05515	2.6
168.06561	11.4
172.03957	24.8
173.04741	6.5
174.05515	14.1
176.07062	10.0
186.42918	1.6
190.05034	3.5
191.05807	6.1
192.06511	1.5
197.10728	2.2
198.07634	1.7
199.08643	3.0
204.06569	35.3
206.08212	4.8
211.08716	2.7
211.12285	1.8
213.10239	2.9
214.10965	2.0
215.11800	5.4
224.09332	2.7
225.10170	3.4
227.08165	1.6
227.11786	1.5
239.11740	5.4
241.09697	2.8
243.11278	25.7
248.62688	1.9
251.11974	1.7
255.11377	1.8
256.12051	1.8
257.12912	1.9
263.08011	2.0
263.11768	1.3
265.09689	4.7
266.10153	1.4
267.11276	5.0
269.09149	2.1
271.10754	2.5
273.12430	2.3
277.09613	2.3
279.11206	3.2
281.09250	1.4
283.10818	4.9
284.11502	3.3
285.12314	20.7
287.10287	3.4
289.12045	3.0
295.10803	2.7
299.10229	4.3
301.11874	2.7
302.13107	1.9
303.13400	68.2
304.14114	2.3
313.11798	8.0
315.13541	2.4
316.10950	2.7
316.14569	3.4
317.15231	1.8
318.16064	3.6
319.16907	3.1
325.11920	2.2
330.12457	3.3
331.13458	2.5
332.17789	1.8
340.14835	1.7
341.11325	34.5
342.12286	1.9
343.13480	3.3
344.13937	5.3
346.15454	8.0
347.16364	5.6
355.13083	2.9
356.13824	2.8
358.11700	3.6
358.15665	2.9
359.12369	9.1
360.17056	6.5
371.12778	3.2
372.13431	8.4
372.17590	2.3
373.14053	16.7
374.14932	6.4
378.18103	1.8
385.14270	3.5
386.15042	11.1
387.15775	11.1
388.16537	6.3
400.16959	2.2
401.13489	1.7
402.14200	3.2
404.16159	5.1
405.16916	3.0
406.17740	5.5
414.14563	9.0
415.15323	17.9
416.16086	30.7
418.17746	1.9
428.16238	3.2
429.16586	1.6
430.17603	6.5
431.17825	2.8
432.15503	3.9
433.16199	7.2
434.17273	6.9
446.17032	9.2
447.17935	4.0
456.15491	3.7
457.16550	1.7
472.15347	2.1
474.16635	33.0
475.17432	21.3
476.17984	4.2
504.17474	3.5
506.19305	8.7
507.19882	3.0
536.20117	5.9
599.24915	2.9
601.22748	3.5
625.22931	8.8
643.24011	100.0
644.23926	4.2
675.25061	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.8
55.01875	10.8
55.05269	2.6
55.05512	32.5
57.03440	9.7
57.07082	2.3
59.04996	1.6
65.03939	4.1
67.05505	63.8
68.05848	1.5
69.03432	11.9
69.07072	43.6
71.04984	5.4
71.08617	1.7
79.05496	46.0
81.03423	13.3
81.07058	63.2
82.07375	2.1
83.04984	9.7
83.08629	15.3
84.04504	1.9
85.02914	2.5
85.06506	4.0
86.09698	2.2
91.05485	42.5
93.06487	2.5
93.07046	43.1
94.07370	2.3
95.04973	11.1
95.08612	24.5
97.02894	8.2
97.06528	8.9
97.10165	13.3
99.04446	2.0
99.08037	2.0
105.07034	34.9
107.04943	10.0
107.08598	31.5
109.06512	7.5
109.10165	18.1
111.04493	2.5
111.08062	3.0
115.05421	2.8
117.07036	14.1
118.07417	1.6
119.08581	24.7
121.06495	8.1
121.10131	14.9
123.08054	6.0
123.11736	4.1
125.09666	8.7
127.09193	1.6
128.06223	2.7
129.06999	7.5
131.08577	16.3
133.06453	3.6
133.10144	24.0
134.07231	2.6
135.08038	5.0
135.11693	10.0
137.09613	3.2
143.08524	5.9
145.10136	11.0
147.08058	7.0
147.11685	10.6
149.09624	6.8
149.13205	9.0
151.11191	3.7
155.08527	2.0
157.10098	5.1
159.08034	1.9
159.11652	9.8
161.09656	3.6
161.13226	3.7
163.11168	5.4
165.09108	1.6
169.10231	2.6
169.12231	1.7
171.11685	5.4
173.09703	1.5
173.13245	2.3
175.11182	2.8
177.12723	4.0
179.37286	1.4
179.63205	1.5
183.11673	1.9
184.07285	2.4
185.13266	2.7
189.11180	5.4
189.12750	2.8
191.14243	2.1
195.13806	4.8
205.12267	2.2
223.13304	14.5
227.12775	8.8
229.19394	2.4
249.14743	2.0
253.14325	4.9
255.15797	7.5
257.19162	3.3
267.15942	4.3
269.17462	20.9
273.18524	15.6
275.20120	19.2
291.19550	100.0
292.19891	4.1
293.21069	2.8
334.81906	1.6
349.23724	12.8
365.23218	28.7
367.24817	3.9
545.34875	10.9
559.27618	1.8
559.36383	31.8
639.42065	7.1
657.43890	2.9
692.41895	1.6
704.91425	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.8
53.03940	5.3
55.01869	7.2
55.05514	34.1
57.03430	8.3
57.07060	1.6
65.03942	2.8
67.05508	58.7
68.05835	2.3
69.03430	13.7
69.07069	39.8
69.75904	5.2
69.76308	5.2
71.04994	3.4
71.08645	2.1
79.05495	51.2
81.03423	13.6
81.07059	58.2
81.07534	3.6
82.07427	2.2
83.04991	12.0
83.08620	15.8
84.04507	5.5
85.02903	3.1
85.06523	4.1
91.05479	39.9
93.07051	48.4
95.04965	10.0
95.08607	29.2
97.02911	12.7
97.06522	13.5
97.10173	12.9
98.04023	1.6
98.20853	3.5
99.04514	2.0
99.08064	2.0
101.47906	1.6
105.04492	2.3
105.07022	29.6
107.04980	10.0
107.08601	27.5
109.06526	6.9
109.10150	18.2
111.08090	5.7
115.05389	2.6
117.07017	15.0
119.04953	2.1
119.08592	23.3
121.06517	6.5
121.10123	13.5
122.44324	2.0
123.08088	4.5
125.09624	8.8
129.07004	4.7
131.08565	15.8
133.06476	4.3
133.10109	20.0
134.10440	2.2
135.08055	7.7
135.11729	9.3
137.09671	3.7
137.99225	1.6
142.07758	2.1
143.08549	3.2
145.06543	1.6
145.10124	15.0
147.08086	4.3
147.11679	9.8
149.09599	9.9
149.13235	10.8
151.11203	5.0
155.08551	2.6
157.10124	6.5
159.11684	11.2
161.09610	3.9
161.13243	5.8
162.81500	2.0
163.11176	7.8
165.09116	3.0
167.14417	1.8
169.10126	3.4
171.11670	2.9
173.11914	2.1
173.13261	4.0
175.11212	3.0
177.12804	3.4
179.14362	2.9
181.10010	2.1
184.07420	3.8
189.11223	4.8
193.12306	2.0
195.13799	5.5
197.13190	2.1
205.12309	1.9
223.13281	17.5
227.12831	6.0
238.95386	2.1
247.20576	2.4
249.14915	2.2
253.14311	4.3
255.16022	5.5
257.19064	4.7
267.15894	3.2
269.17426	12.7
273.18530	14.0
275.20078	16.9
291.19543	100.0
335.25687	2.2
347.22031	3.8
349.23834	9.8
365.23312	24.9
365.27548	3.3
403.02896	1.9
459.68518	1.9
520.29425	1.9
530.39252	2.8
545.34625	11.5
559.36377	33.6
639.42041	5.9
674.43646	2.6
692.40656	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	692.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.8
55.05510	10.0
57.03445	9.6
60.03804	1.3
61.02938	2.1
67.05513	32.1
69.03423	1.9
69.07079	19.1
71.04988	5.4
71.24606	3.6
75.96541	1.2
79.05497	22.9
81.03427	6.6
81.07065	90.5
82.73347	1.3
83.04974	10.5
83.08630	11.0
85.02901	4.8
85.06549	4.9
91.04000	1.4
91.04971	2.4
91.05492	24.9
93.07052	16.3
95.04971	5.0
95.08616	17.7
97.02917	3.4
97.06526	6.7
99.08112	4.3
103.83187	1.3
105.07040	36.7
105.07693	2.7
107.04948	3.8
107.08608	16.0
109.06522	4.6
109.10162	4.6
111.08093	2.2
116.40077	1.2
119.08593	28.3
121.06504	1.4
121.10150	26.1
123.08089	3.2
123.11721	27.1
125.09623	1.8
127.07542	2.6
129.07027	3.5
131.08586	5.8
133.10133	5.3
135.11742	2.5
137.13307	2.4
141.09161	1.5
145.10191	3.1
147.11693	70.6
149.13350	2.0
153.12758	1.4
157.10136	3.7
163.11192	3.3
165.12778	30.4
175.11148	2.2
177.12688	1.4
183.13860	3.8
193.12267	4.2
195.13675	2.3
211.13390	2.6
212.93318	1.5
214.37889	1.3
229.14427	8.2
267.15952	76.0
269.17535	5.6
283.15341	2.4
285.16986	100.0
286.17331	2.6
301.16547	2.0
423.27628	1.8
459.27310	5.3
477.28558	24.5
495.29572	91.4
496.29568	4.6
621.32397	3.8
639.33447	3.6
692.25818	3.7
717.09064	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86523	1.5
53.03943	4.1
55.01874	8.8
55.05265	2.7
55.05512	31.1
55.37638	1.7
57.03434	18.9
59.05000	3.1
61.02942	9.1
65.03936	3.9
67.05508	100.0
68.05822	1.7
69.03428	5.9
69.07076	16.6
71.01345	2.2
71.04996	9.2
71.50932	1.9
73.02920	5.8
73.85992	1.7
78.67068	1.4
78.75469	1.6
79.05497	46.6
80.43051	1.6
81.03423	18.4
81.07058	90.6
82.07404	3.1
82.78561	1.6
83.04987	11.6
83.08620	23.2
85.02911	16.3
85.06552	4.8
87.04467	3.9
91.03947	2.9
91.05486	27.3
93.06483	2.7
93.07049	42.5
95.04967	10.4
95.08606	22.4
97.02891	7.0
97.06528	9.4
97.10188	15.6
99.08092	2.5
105.07027	12.5
107.04964	4.3
107.08598	29.8
109.06530	10.9
109.07157	1.8
109.10160	43.4
111.04459	2.7
111.08086	6.1
117.07020	8.3
119.08604	13.1
121.06493	5.6
121.10142	17.8
121.65347	1.5
123.08073	5.0
123.11736	6.2
125.09657	14.5
126.56365	1.5
129.05524	2.5
129.06973	2.7
131.08585	12.1
133.10143	15.3
135.08049	4.2
135.11685	13.4
137.09605	4.0
143.08507	1.9
143.10606	2.1
145.10129	7.4
147.08063	3.6
147.11653	3.6
149.09682	2.1
149.13287	13.0
151.11108	2.2
153.12711	4.1
155.10655	4.7
157.10138	3.0
159.11652	8.4
163.11165	7.3
165.12726	3.5
173.11781	15.1
177.12801	5.0
181.12335	2.3
189.11203	2.1
191.10681	5.4
193.12180	4.8
195.13814	15.8
199.13278	7.5
201.16461	2.5
209.11726	7.3
227.12794	4.3
229.14375	47.6
259.04276	1.8
267.15887	5.8
269.17493	65.0
273.18500	4.7
274.18881	2.9
283.15451	4.8
291.19598	8.0
292.19916	8.5
301.16425	16.5
340.96277	1.8
393.26471	3.2
405.07074	1.7
411.27350	4.0
423.27463	38.1
437.28995	6.0
453.33316	1.9
463.30750	14.3
495.29291	37.4
513.30597	13.5
692.44482	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.4
53.03947	3.6
55.01876	6.1
55.05513	34.7
57.03434	16.2
57.07074	3.4
59.04996	3.6
60.31962	0.8
61.02931	8.0
65.03935	3.1
67.05508	100.0
68.90742	0.9
69.03432	5.0
69.06721	1.7
69.07069	16.8
70.06542	1.0
70.10856	4.3
71.01349	1.3
71.04984	6.0
73.02914	5.7
79.05499	42.3
81.03417	15.6
81.07059	74.3
83.04991	9.8
83.08620	20.6
84.10765	1.1
85.00436	1.1
85.02906	16.7
85.06554	4.6
87.04466	3.4
91.03982	2.6
91.05487	29.8
93.07048	42.8
93.07642	2.1
93.87710	0.9
95.04959	7.5
95.08615	19.5
97.02898	6.0
97.06538	10.2
97.10182	15.2
99.08086	2.1
103.03935	1.4
105.04505	1.2
105.07036	11.0
107.04961	3.1
107.08603	28.2
109.06510	3.8
109.10163	48.1
111.04460	1.6
111.08093	7.5
116.04694	1.8
117.07024	9.0
118.11309	1.2
119.08575	8.9
121.06483	2.6
121.10145	11.1
123.08070	2.9
123.11713	4.0
125.09634	13.5
129.05495	4.1
129.07024	2.3
131.08559	7.1
133.10135	13.2
135.08043	2.2
135.11720	11.6
137.09619	2.4
139.11125	1.2
143.07027	1.2
143.10631	1.6
145.10098	4.9
147.08148	1.1
147.11659	5.5
149.09650	2.3
149.13261	13.8
149.39134	1.1
151.11209	2.1
153.12794	2.9
155.10689	6.1
157.10201	1.4
159.11662	7.3
163.11169	7.1
165.12738	2.5
169.51181	1.1
173.09583	1.2
173.11751	14.5
175.11195	1.5
177.12767	4.0
181.12265	2.6
185.11769	1.5
191.10745	3.5
193.12221	4.7
195.13829	15.1
199.13342	7.3
204.70663	1.0
209.11720	7.1
211.13359	2.3
213.14833	2.7
213.25862	1.0
227.12811	8.9
229.14372	52.9
239.16470	3.2
257.13910	1.8
265.14145	1.2
267.15863	7.7
269.17490	55.6
283.15390	4.6
285.17081	1.1
301.16464	18.5
313.16724	1.3
323.18558	1.7
393.25998	1.7
411.22470	1.3
411.27115	5.8
423.27432	30.4
431.27914	2.1
477.28455	3.8
495.29565	53.9
496.29962	1.5
513.30579	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.1
55.01870	5.7
55.05513	31.6
57.03439	11.8
57.07070	5.3
62.02866	3.8
63.99678	4.0
65.03944	6.3
67.05505	81.7
69.03437	21.8
69.07067	27.0
71.04984	8.8
71.12032	9.7
72.73642	4.1
79.05495	57.2
81.03423	49.0
81.06593	6.1
81.07063	100.0
83.04984	32.2
83.08620	14.7
84.14207	5.0
85.02886	8.1
91.05476	44.0
91.43987	4.6
93.07047	70.1
95.04939	11.1
95.08065	5.5
95.08620	67.5
97.02888	15.8
97.06545	10.7
98.98479	6.9
99.04459	6.2
105.07037	36.0
107.04958	5.5
107.08607	31.9
109.02873	6.1
109.06504	10.8
109.10158	18.8
111.04419	5.5
113.81484	4.1
116.24017	3.7
117.07001	20.5
119.08554	20.0
121.06503	6.3
121.10157	24.0
121.66969	4.6
123.11752	5.8
127.03933	9.3
128.06218	5.5
129.05449	9.4
129.07037	10.2
131.08557	17.9
133.10159	23.8
135.11705	17.9
135.12901	3.9
143.08551	10.5
145.10124	15.4
147.11691	16.8
149.13261	18.0
155.08624	4.4
157.10156	8.8
159.11688	11.6
161.13258	6.6
169.10106	4.8
171.11661	7.4
177.12772	6.6
179.14307	4.6
180.02615	4.8
183.70107	4.5
187.14905	6.0
195.13824	9.1
229.67851	4.6
257.22473	4.2
261.14960	5.5
261.22009	4.9
267.16022	5.5
269.17468	20.0
301.21808	4.5
335.25800	26.6
351.23071	5.8
369.24210	8.3
413.21738	4.7
529.38818	35.0
622.27502	6.8
655.42267	6.2
673.42932	13.2
691.32953	4.8
691.43951	16.9
692.33826	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	691.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44435	1.7
53.03951	14.6
54.65290	1.9
55.01870	5.0
55.05518	31.3
57.03436	13.9
57.07071	6.7
57.83921	1.7
59.04991	2.2
61.02946	1.9
62.02673	1.8
62.21218	2.1
65.03932	5.1
67.05510	89.8
68.05849	2.8
69.03433	29.8
69.07073	26.3
71.04993	9.5
71.08633	5.4
79.05496	61.7
81.02942	2.6
81.03424	59.3
81.07062	100.0
83.04993	27.1
83.08627	16.3
83.86164	1.7
85.02924	9.8
85.06532	6.5
85.10213	3.0
89.06056	2.9
91.05488	49.5
93.07051	70.7
93.07639	3.6
95.04988	13.0
95.08613	51.7
95.09180	3.9
97.02901	19.4
97.06544	11.7
97.10186	5.8
99.04472	4.7
99.08093	4.6
101.02379	2.3
101.80177	1.9
105.07029	33.7
105.07685	2.4
106.99861	2.0
107.04986	4.8
107.08600	32.7
109.02877	8.1
109.06511	10.4
109.10159	19.0
111.04445	7.9
111.08101	5.4
115.05426	3.0
117.07020	19.6
119.08592	27.1
121.06515	4.1
121.10155	21.2
123.04456	3.2
123.08057	4.2
123.11722	11.7
125.09603	3.1
127.03934	7.7
128.06215	4.0
129.05484	11.4
129.06989	9.3
131.08585	23.9
133.06447	3.8
133.10132	22.4
135.08080	5.6
135.11713	16.2
141.06973	5.3
141.29514	2.0
143.08600	9.1
145.06468	3.2
145.10126	14.0
147.11710	20.1
149.09624	4.2
149.13268	17.9
151.11218	3.4
153.09074	2.9
155.08580	4.7
157.10152	6.8
159.08075	2.4
159.11707	21.0
161.09653	3.1
161.13280	7.7
165.07089	2.1
165.12791	7.1
169.10120	2.3
171.11732	11.1
173.04469	4.1
173.09622	3.1
173.13269	7.0
175.14825	3.9
177.12773	7.6
179.14282	2.8
181.10138	3.9
181.12212	2.2
183.11736	5.2
185.13278	5.1
187.11111	2.3
187.14784	4.1
190.42395	2.0
195.12044	2.5
195.13762	10.2
197.13315	3.8
199.14856	4.3
203.14307	2.8
206.39127	1.9
211.11337	2.3
223.14803	2.4
229.40619	2.5
251.16396	2.5
260.27219	2.0
261.22174	8.4
267.16043	5.6
269.17532	23.1
275.20084	3.0
277.21667	2.2
301.21613	4.9
310.45215	2.2
317.24866	3.6
323.81573	2.0
335.25894	17.7
337.27222	4.9
339.18140	4.2
341.24643	2.7
341.85129	2.1
351.23276	4.3
369.24185	6.8
387.25366	4.7
395.20535	1.9
405.26050	1.9
413.21713	4.7
443.27606	3.7
461.29016	2.9
479.29977	4.7
503.36948	4.8
529.39099	26.8
547.40125	3.6
637.40741	3.8
655.41846	4.4
673.43085	12.3
691.43878	17.2
711.13586	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76554	2.5
53.03949	13.9
55.01887	5.0
55.05516	28.9
57.03445	14.4
57.38137	2.7
65.03932	7.5
67.05512	86.3
69.03433	27.2
69.07077	25.0
71.04984	8.5
73.02911	6.2
79.05071	4.2
79.05502	63.0
79.17919	2.6
79.73599	2.5
81.03428	44.2
81.06594	6.4
81.07065	100.0
83.04992	24.3
83.08627	18.8
85.02895	7.9
85.06550	3.4
91.05486	55.4
93.06488	4.6
93.07051	76.0
95.04975	17.4
95.08613	59.0
97.02891	15.0
97.06529	10.1
97.10188	3.3
98.20713	6.5
99.04452	5.5
103.03895	2.9
105.07034	36.4
107.04956	4.9
107.08606	37.7
109.02867	8.6
109.06506	6.5
109.10165	18.2
111.04447	3.9
111.08089	7.9
115.08317	2.6
117.07020	16.8
119.08601	27.7
121.06508	5.4
121.10165	29.2
123.04417	3.1
123.08094	4.3
123.11710	9.1
127.03902	6.6
129.05490	10.6
129.07016	13.5
131.08591	29.0
133.10126	21.9
135.08055	4.9
135.11708	15.1
137.13188	3.4
141.06949	4.8
143.08571	10.5
145.06519	4.4
145.10130	15.3
147.08096	4.9
147.11702	21.3
149.06021	3.3
149.13283	24.3
155.08519	5.6
157.10112	8.1
159.11729	17.4
161.13277	5.7
163.14833	3.3
165.12827	3.6
169.10095	4.8
171.11700	7.6
173.13257	8.0
175.11168	3.8
177.12769	4.6
181.10098	4.0
183.11653	7.1
185.13287	7.3
187.14862	2.8
195.11888	3.1
195.13786	10.3
199.11031	2.7
213.14880	3.7
261.14722	4.0
261.22168	5.6
265.33731	3.0
267.15988	11.5
269.17465	31.4
275.16376	3.3
301.21667	3.9
335.25833	26.5
336.38412	3.8
337.27197	4.4
369.24197	7.4
387.24933	3.7
461.29437	3.4
465.97781	3.6
479.30121	3.4
529.38831	46.1
593.45789	4.4
655.42249	3.2
673.42883	11.2
691.44110	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.3
55.01865	6.1
55.05519	29.3
57.03447	13.8
57.07079	4.4
65.03944	3.9
67.05508	89.5
69.03430	20.9
69.07072	24.5
69.37091	3.8
69.37503	12.2
71.04997	10.3
79.05496	60.6
81.03423	52.7
81.07061	100.0
83.04990	35.6
83.08631	17.1
85.02917	10.8
85.06564	3.3
91.05490	49.3
93.07050	72.5
93.07636	4.4
95.04968	12.9
95.08615	59.2
97.02898	16.9
97.06553	10.5
97.10170	4.8
98.21554	1.9
99.04449	5.4
99.08075	4.5
103.05495	2.0
105.04529	2.4
105.07041	40.2
107.04976	6.6
107.08601	36.9
109.02898	9.9
109.06518	7.6
109.10181	20.5
111.04465	10.6
111.08079	7.1
113.06001	2.2
115.05471	3.2
117.07022	18.2
119.08582	26.6
121.10155	31.6
123.04417	3.9
123.08091	3.5
123.11723	15.6
127.03915	7.3
129.05487	17.9
129.06955	10.0
131.08568	25.6
133.06496	4.9
133.10138	23.3
135.08014	3.7
135.11700	16.9
137.09662	2.1
137.13177	2.8
139.54674	1.8
141.06996	2.5
143.08597	10.6
145.06462	4.9
145.10126	19.2
147.08002	3.2
147.11710	22.9
149.09622	2.2
149.13268	20.7
153.09146	2.1
155.08577	6.3
157.10109	6.1
159.08022	2.5
159.11713	18.6
161.09569	2.5
161.13278	6.6
163.14851	2.3
165.12749	6.8
169.10146	5.2
171.08096	2.7
171.11714	8.0
173.13258	7.0
175.11180	2.3
175.14818	3.5
177.12761	7.5
183.11655	3.8
185.09689	2.2
185.13321	4.7
187.11140	2.3
187.14787	6.2
195.13837	9.1
197.13232	2.2
201.12782	2.8
209.13353	3.1
211.14859	2.2
243.21063	2.3
255.27550	1.8
261.22189	7.8
267.15912	6.4
269.17490	22.3
273.22226	2.1
274.96951	2.0
275.16422	3.4
277.21881	2.4
301.21634	3.0
303.16052	3.4
317.24847	2.5
335.25861	31.0
337.27310	5.4
339.18219	4.6
351.23477	2.1
369.24323	9.9
387.25009	5.5
411.19940	3.3
413.21573	7.3
435.23697	2.3
437.34619	2.5
443.27960	3.5
444.89395	1.8
455.36017	2.0
461.28799	3.0
479.29758	4.2
529.38983	36.2
530.38678	2.9
547.39771	5.2
655.42273	5.3
673.43048	11.4
691.44171	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	691.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.6
54.39010	4.3
55.05510	14.5
67.05508	15.3
69.03416	6.4
69.07067	16.4
71.51070	8.3
73.70918	4.9
75.72435	4.6
79.05502	14.9
81.03439	9.9
81.07048	27.3
83.05022	5.7
83.08625	7.6
85.02913	7.0
89.06033	6.0
91.05481	21.6
93.07056	18.5
95.04957	5.7
95.08614	12.1
97.06531	14.8
97.10155	6.7
105.07037	31.9
107.04964	7.4
107.08602	16.0
109.10168	7.0
119.08575	12.7
123.08178	5.2
133.10138	15.9
145.10138	8.1
147.11737	9.8
149.09576	8.1
151.07452	5.1
207.46944	4.8
275.20029	33.4
334.66479	5.2
349.23779	100.0
401.26926	5.2
457.42456	5.5
513.17731	12.3
691.26086	87.6
692.26147	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	691.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.2
55.01865	13.6
55.05512	28.6
57.03454	22.9
61.02933	50.3
65.03941	4.6
67.05178	5.5
67.05508	75.7
68.64677	3.3
69.03440	29.5
69.07078	29.2
71.04982	12.0
71.50497	5.2
73.02896	15.6
79.05071	4.4
79.05495	54.1
81.03424	34.2
81.07063	100.0
83.04992	19.2
83.08616	12.6
85.02908	55.5
85.06550	4.9
91.03956	24.0
91.05482	48.2
93.07047	63.2
95.04977	21.9
95.08594	36.0
97.02891	51.6
97.06519	19.9
97.10168	15.8
99.04462	13.7
99.08064	4.9
104.86597	4.0
105.04539	3.6
105.07047	47.1
107.04951	12.7
107.08606	51.7
109.02889	9.5
109.06506	11.8
109.10188	29.2
111.08116	4.6
115.03952	3.8
117.07027	18.4
119.08582	43.3
121.06483	7.3
121.10165	24.9
123.08047	9.0
123.11668	7.6
125.09628	15.0
127.03066	4.3
127.03904	24.0
127.69464	3.6
129.06967	5.0
131.08591	22.8
131.60551	3.7
133.10132	35.8
135.08043	10.4
135.11667	16.9
137.09634	5.5
138.84319	3.6
139.03877	8.2
139.07387	3.9
143.08554	8.2
145.04953	12.1
145.10133	20.8
147.11687	21.8
149.02365	8.9
149.09622	13.0
149.13258	15.0
151.07558	8.1
151.11130	9.0
153.01826	8.8
153.05565	3.5
154.85915	4.0
155.08531	5.1
157.10110	9.1
159.11687	27.2
163.11169	11.4
165.09190	7.2
171.11636	6.8
173.04568	4.1
173.13243	8.1
175.11157	5.7
177.12775	15.9
185.13225	4.1
189.11209	8.4
193.12169	4.2
195.13858	5.6
197.13326	5.5
201.07732	3.9
209.31519	3.4
227.12730	8.6
229.14322	7.8
239.17969	6.8
245.13704	5.3
257.18942	9.3
269.17496	65.9
271.15472	5.3
275.20056	56.1
277.14465	4.0
293.21100	7.1
299.19669	4.3
349.23752	81.9
350.24112	5.2
367.24838	43.5
391.24695	7.0
413.21729	18.0
415.24603	4.4
475.26898	4.5
493.28104	6.1
511.28915	17.4
641.21002	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	691.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71611	2.6
53.03952	3.7
55.01872	7.8
55.05516	4.2
57.03450	3.6
61.02940	2.4
67.05511	14.9
68.96067	2.1
69.03426	3.2
69.07064	13.8
70.06569	1.9
70.13419	10.2
79.05495	13.8
81.03416	8.4
81.07050	22.3
83.04982	4.7
83.08623	2.8
85.02888	4.2
91.03960	2.6
91.05491	20.0
93.07055	19.0
95.01337	3.0
95.04975	5.2
95.08631	10.1
97.02894	4.7
97.06528	9.9
97.10165	2.4
98.20915	3.0
105.07042	24.6
107.04967	7.1
107.08609	8.9
109.06503	2.7
109.10187	4.5
111.08110	3.0
117.07045	5.0
119.08560	14.9
121.06480	2.5
121.10167	5.1
123.08065	3.8
125.09625	3.4
130.07823	2.1
131.08589	8.1
133.10124	16.4
135.08073	2.9
135.11734	5.7
145.06415	2.5
145.10173	5.0
147.08009	3.1
147.11726	8.1
149.02354	7.4
149.09618	3.9
149.13316	4.8
151.07564	2.9
153.01802	4.3
159.11723	6.7
163.11290	2.6
179.14337	7.3
275.20111	21.9
349.23758	85.5
351.25531	5.1
429.15463	2.4
443.17291	3.6
457.19049	4.3
458.19293	4.9
459.20538	3.5
484.13641	3.4
497.18079	3.5
499.15997	3.6
511.28705	2.6
512.17010	4.5
513.17902	2.8
523.16394	2.4
573.23615	3.8
600.22131	3.3
601.22870	8.2
602.21460	2.5
676.25220	2.4
691.26007	100.0
691.36035	7.3
692.26544	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58169	1.6
53.03944	3.4
54.21341	1.5
55.01874	8.9
55.05519	14.1
56.08422	1.8
57.03441	6.7
57.07074	2.3
59.04996	2.1
61.02936	10.5
67.05508	16.4
69.03434	4.9
69.07073	6.5
69.75320	1.5
70.06602	3.5
73.02921	4.2
79.05495	15.6
81.03427	9.3
81.07063	21.1
83.04984	4.3
83.08643	7.0
85.02916	13.8
89.06011	4.0
91.03967	4.7
91.05486	13.5
93.07048	11.0
95.04979	5.8
95.08605	7.1
97.02908	7.5
97.06544	12.4
97.10174	3.3
105.07047	10.8
107.04940	5.0
107.08581	11.9
109.06526	3.2
109.10159	5.1
117.07035	4.4
119.08594	8.4
121.06506	3.3
121.10168	6.3
125.09654	4.3
127.03948	4.1
129.06955	3.2
131.08588	6.3
133.08618	3.2
133.10156	7.8
135.08051	4.2
135.11714	2.0
137.09634	2.2
143.08575	1.8
145.04971	3.5
145.10155	4.6
147.11702	5.3
149.09639	6.0
149.13315	2.4
153.01834	2.5
157.10121	2.1
159.11748	5.9
163.11246	4.2
165.09167	2.0
171.10233	3.0
171.11664	2.5
173.04317	2.1
177.12776	4.1
178.24411	1.7
189.11278	2.5
191.57819	1.7
227.12793	2.9
229.14313	1.9
235.39555	1.8
257.19019	3.3
267.15927	1.9
269.17429	10.1
275.20071	15.3
283.15381	1.9
349.23767	31.9
349.27481	1.3
367.24811	7.7
391.24881	2.3
444.18442	2.2
457.18878	4.4
477.28439	2.8
483.13754	1.7
484.13202	8.3
485.14374	2.6
493.28122	1.8
497.14871	2.3
498.15503	3.7
499.16809	1.9
511.16254	2.7
512.16925	5.3
513.17761	10.7
514.18781	4.2
523.16327	2.3
527.19623	4.5
601.23248	8.6
691.26123	100.0
692.26563	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.9
55.01859	13.4
55.05521	32.6
56.79567	3.9
57.03436	20.3
57.07066	5.1
61.02926	47.2
65.03942	5.4
67.05505	75.4
69.03439	34.9
69.07069	27.5
70.06574	6.9
70.40862	4.1
71.01343	4.0
71.04996	11.0
71.08629	4.1
71.51128	6.0
73.02924	25.2
79.01849	5.9
79.05499	57.3
81.03416	41.2
81.07060	100.0
82.07372	4.5
83.04979	24.0
83.08624	23.1
85.02912	70.4
85.06510	6.1
90.07549	4.0
91.03963	31.2
91.05487	52.1
93.07050	72.8
95.04964	17.8
95.08611	43.5
97.02899	69.8
97.06528	20.5
97.10186	12.1
99.04438	10.3
99.08109	5.5
101.02359	6.5
104.15263	4.4
105.07032	58.3
107.04942	12.6
107.08603	45.9
109.02878	13.3
109.06494	11.1
109.10171	18.3
111.04439	6.3
111.08074	7.8
117.07009	20.7
119.04885	5.5
119.08580	44.4
121.06556	11.2
121.10139	18.6
123.08054	15.3
123.11728	10.3
124.07582	8.2
125.05947	5.3
125.09622	10.7
127.03918	33.7
127.13949	3.8
129.05437	4.8
129.07022	7.6
131.04854	5.1
131.08574	38.5
133.10121	39.0
135.01326	4.1
135.08020	14.8
135.11682	14.9
137.05974	5.1
137.09587	11.9
139.03889	9.2
143.03369	6.6
143.08536	12.6
145.04916	13.7
145.10101	31.5
147.08031	7.3
147.11667	25.0
149.09589	14.8
149.13272	20.9
151.07529	11.9
153.01830	88.5
153.03003	11.0
157.10164	10.1
159.11693	33.4
161.13264	7.3
163.03949	6.2
163.11177	9.2
165.12759	5.6
171.11678	10.7
173.09644	4.7
173.13268	11.9
177.12718	19.1
179.14351	4.8
183.06519	7.5
183.11691	7.8
189.12833	5.2
195.13782	14.5
197.13284	6.4
229.19336	4.3
239.17981	7.9
247.20555	5.8
251.16602	5.7
257.19012	13.2
266.53427	4.6
269.17480	74.3
275.20038	77.9
293.20984	8.8
301.11737	21.1
349.23734	77.1
367.24777	41.0
391.24796	6.5
395.20816	7.6
398.18820	4.7
413.21732	10.3
475.27124	8.4
493.27945	8.5
511.28375	12.6
606.94147	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	691.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07128	0.4
55.05511	1.8
67.05504	1.8
69.07064	1.1
69.16542	1.0
69.16953	3.2
79.05492	0.9
80.25590	0.3
81.07059	2.8
90.21274	0.4
91.05492	1.1
93.07056	1.3
95.08627	1.2
98.98477	1.0
105.07039	0.9
107.08632	1.0
109.10175	0.9
117.07014	0.8
117.12379	0.4
119.08594	0.9
131.08560	0.6
133.10150	0.6
135.11714	0.6
145.10159	1.0
147.11691	0.8
162.36827	0.4
344.69641	0.5
345.68515	0.5
377.17877	1.1
378.18704	0.4
390.18680	1.1
391.19391	2.4
392.20099	1.1
393.20828	1.1
401.17142	0.5
403.19647	0.7
404.20261	1.1
405.16278	2.8
405.21875	1.9
406.22067	0.9
407.22446	5.0
408.23209	0.5
418.17917	1.6
419.17947	4.5
419.23215	1.3
420.19202	1.6
420.23349	1.7
421.20261	1.8
432.19543	0.8
433.20322	9.1
434.20963	5.8
435.21866	7.5
436.22546	0.5
446.21411	0.9
447.17249	0.8
447.22018	1.8
448.22684	2.1
461.19153	0.9
461.24246	0.7
475.21210	2.4
478.23062	0.5
479.25272	0.8
489.23486	0.5
493.22272	0.6
493.26495	0.6
501.27020	0.5
505.22528	0.5
506.23880	0.4
515.24615	0.7
517.29791	1.1
518.30371	0.6
519.40479	0.7
521.25555	14.3
522.26556	0.8
529.25964	1.1
530.27020	0.7
531.27783	1.3
543.27728	1.1
544.28223	4.8
545.29236	4.0
549.25287	0.9
557.28912	1.4
562.25995	0.5
563.26489	0.8
571.30542	0.6
581.27667	3.1
589.28741	1.5
593.45746	1.1
594.29083	0.8
603.32568	1.4
622.28052	0.9
631.32751	16.6
632.33374	1.5
663.35486	0.7
691.34918	100.0
692.35291	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	691.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.4
61.02931	1.0
67.05506	2.3
67.68319	0.9
69.03425	1.0
69.07078	4.7
70.03094	3.3
70.06606	1.3
75.01205	0.6
79.05494	1.5
81.03426	1.3
81.07069	2.8
83.08634	3.1
85.02927	2.3
89.06033	1.5
91.05498	2.6
93.07054	2.1
95.08608	2.0
97.02928	1.4
97.06521	0.8
99.20312	0.7
105.07063	2.7
107.04958	1.2
107.08591	1.5
119.08604	1.3
121.10157	1.1
131.08592	1.5
133.08601	1.0
133.10106	1.0
135.11766	0.8
137.34369	0.7
139.03854	0.7
147.11726	1.1
151.07530	1.1
153.01849	1.2
159.11798	0.9
177.55309	0.6
193.04999	0.7
217.62492	0.8
218.37254	0.7
260.03436	0.9
275.20242	1.0
293.21005	1.7
349.23685	3.3
399.14847	0.8
400.15530	1.0
416.15399	0.9
427.18332	0.8
428.14728	1.2
429.15479	1.0
430.16595	2.4
431.17282	1.3
443.17465	3.3
444.18317	1.2
455.17258	1.1
457.19046	4.5
458.19885	1.2
459.20444	1.2
482.15717	1.0
483.17087	1.0
484.13553	5.9
485.14026	1.5
485.19016	1.1
486.18539	0.9
497.13464	0.8
497.18533	2.3
498.15628	2.1
499.16199	3.9
511.16171	1.4
512.16821	4.7
513.17651	7.7
514.18506	3.2
523.16339	1.9
525.17474	3.6
526.18750	1.1
527.19318	1.5
545.23730	2.1
555.20465	1.4
571.18896	1.0
573.22980	2.9
599.21582	0.9
600.22540	3.4
601.22809	9.3
602.19897	1.1
617.22473	1.2
632.24316	1.5
676.23743	1.5
691.26129	100.0
692.26587	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	689.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	2.5
51.70089	2.5
53.03945	10.1
53.27438	2.6
55.01872	10.6
55.05517	33.1
57.03449	12.8
57.07071	5.0
61.02923	10.7
65.03936	4.2
67.05511	71.1
67.05880	3.6
69.03429	23.5
69.07077	28.6
70.10051	8.1
70.10461	5.3
71.04980	8.7
73.02917	6.8
79.05495	64.8
81.02938	2.6
81.03422	66.6
81.07059	100.0
82.07397	5.6
83.04975	18.0
83.08636	18.5
85.02921	13.9
85.06544	5.0
91.03972	2.5
91.05484	54.8
93.06492	3.5
93.07053	63.3
95.04965	11.2
95.08619	44.5
96.08942	3.7
97.02901	27.9
97.06525	13.8
97.10151	7.9
98.21172	6.3
99.04467	7.9
99.08047	2.5
105.07034	50.5
107.04977	9.9
107.08590	38.2
109.02881	12.2
109.06527	17.5
109.10179	15.4
111.04448	7.6
111.08089	4.2
115.05437	5.8
117.07018	27.1
118.07406	2.7
119.08603	41.5
121.06489	6.5
121.10143	18.8
123.08071	7.1
123.11729	7.1
125.09618	3.1
127.03916	11.5
128.06241	5.0
129.05457	6.5
129.06996	17.0
130.26656	2.6
131.08583	32.0
133.10127	24.2
135.08058	5.6
135.11711	15.2
137.09590	4.1
141.07001	4.4
142.07787	3.4
143.08569	18.3
145.06490	6.1
145.10144	24.1
147.08031	4.9
147.11708	24.6
149.09590	4.9
149.13264	10.6
154.07819	4.2
155.08588	13.0
157.06493	3.5
157.10149	22.9
159.08061	4.7
159.11728	23.4
161.09618	6.4
161.13220	12.7
165.07004	3.2
165.12770	6.4
167.08586	6.8
169.10193	14.2
171.11703	18.3
173.04462	11.8
173.09648	4.8
173.13293	9.7
175.14897	3.4
177.12784	3.1
179.08524	3.3
181.10153	7.6
183.11768	13.2
184.07382	8.7
185.13280	9.5
187.11314	3.3
187.14880	5.3
193.10089	4.4
193.12300	2.9
195.11748	6.0
197.13313	15.1
199.14833	7.3
209.13362	3.9
211.14909	4.1
213.12805	4.7
213.16464	2.8
221.13318	3.1
223.14908	2.9
225.16393	3.0
229.14256	3.2
237.13934	5.8
237.16344	2.7
239.17894	3.2
241.19566	5.2
247.14850	2.5
259.20581	9.2
261.22119	4.1
267.15891	7.8
269.17514	9.2
271.20609	3.6
273.18561	3.4
275.19977	5.3
276.20297	3.5
283.20361	3.1
291.19614	5.3
297.22183	3.1
301.21597	3.3
313.21683	3.7
323.23935	2.8
333.24310	3.2
335.25681	7.1
353.24789	3.1
413.21753	3.4
417.31403	5.3
435.32556	11.6
453.33585	5.9
509.35822	6.5
525.35413	3.1
527.37433	87.2
528.37579	5.8
545.38434	7.7
614.91907	2.8
635.39063	8.6
639.24561	23.0
640.24860	4.5
647.27393	3.0
653.40271	6.1
671.41772	17.6
689.42548	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.4
51.64401	3.0
53.03950	14.5
55.01866	9.2
55.05268	3.6
55.05519	44.1
57.03445	15.7
57.07074	6.2
58.60497	2.3
59.05005	2.2
61.02963	2.4
65.03944	6.9
67.05513	100.0
68.05846	5.1
69.03437	40.2
69.07080	32.5
70.30772	2.1
71.04998	10.7
71.08642	3.1
71.51751	3.8
73.02914	4.0
79.05505	78.4
79.08475	2.5
81.03429	88.6
81.07064	91.4
82.07406	5.6
83.04998	22.1
83.08623	32.6
85.02920	23.2
85.06552	6.7
91.05491	75.9
93.07050	76.4
95.04974	36.6
95.08617	54.7
97.02891	14.3
97.06547	9.9
97.10168	9.6
98.98461	12.3
99.04487	3.8
99.08111	3.9
103.05479	3.2
105.04562	2.5
105.07038	48.9
105.07691	3.6
107.04971	11.0
107.08617	36.6
109.02892	15.4
109.06514	5.9
109.10168	40.0
110.10553	3.3
111.04459	13.4
111.08083	14.9
113.06020	2.3
115.05465	5.6
117.07034	19.8
119.08585	44.0
121.06519	7.1
121.10163	31.2
123.04455	2.9
123.08054	4.6
123.11727	9.1
125.09629	5.1
127.03972	11.5
129.05434	2.5
129.07010	25.3
131.08575	35.8
133.06425	3.3
133.10153	20.6
135.11711	19.5
137.09596	3.6
141.07005	6.9
142.07831	5.6
143.08565	15.4
145.10135	18.8
147.08072	6.0
147.11697	25.3
149.09647	7.5
149.13286	8.1
153.12741	5.2
155.08537	11.7
157.10133	24.2
159.11685	13.1
161.13283	8.0
163.11217	6.6
167.08572	4.4
169.10187	11.5
171.11749	11.0
173.11906	4.1
173.13373	6.7
175.11169	12.8
177.12927	3.1
179.08647	3.6
181.10185	7.1
183.11708	13.2
185.13322	7.2
187.11267	4.5
187.14867	3.4
191.10732	6.7
191.14429	3.2
193.10385	3.9
193.12254	53.3
195.11742	5.5
197.13354	9.3
199.11180	3.0
209.13333	4.7
211.13293	83.5
213.16489	4.1
223.14832	5.1
225.16467	4.4
227.12784	6.1
229.14371	18.4
230.14812	8.9
239.18083	2.8
243.13315	2.5
261.22269	5.7
267.15894	4.6
277.21808	3.5
283.15320	3.1
285.17099	9.2
335.25897	9.7
337.16434	3.8
337.27533	7.6
338.27805	14.9
351.23355	6.4
355.17526	9.2
369.24356	10.9
387.25430	6.7
411.20465	5.8
443.28043	5.1
461.28952	6.2
491.37564	4.2
492.37833	16.6
517.40570	6.8
545.38538	10.3
573.43457	3.0
591.44177	27.7
592.44177	4.9
653.40411	8.4
671.41449	10.4
689.42438	99.8
690.43176	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	689.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48835	1.9
51.02382	2.3
52.58792	1.9
52.80156	2.0
53.03947	16.0
55.01869	10.2
55.05512	40.1
55.53603	2.2
57.03445	14.8
57.07083	3.3
61.02920	9.6
65.03934	5.1
67.05508	83.4
69.03439	25.7
69.07071	28.3
71.04996	16.5
73.02918	8.6
73.68810	1.9
79.05498	64.2
81.03424	100.0
81.07060	95.7
83.04984	29.9
83.08620	17.0
85.02895	18.1
85.06544	5.9
86.06420	2.2
89.63129	2.1
91.03969	4.3
91.04922	3.4
91.05483	64.0
93.07047	65.1
95.04974	15.4
95.08609	50.5
97.02897	45.4
97.06530	7.5
97.10168	6.6
98.21523	5.2
99.04458	11.9
103.05484	3.3
105.07040	61.2
107.04932	10.7
107.08598	40.2
109.02888	13.9
109.06545	11.2
109.10163	16.3
111.04449	10.7
111.08092	4.4
111.11703	2.1
113.06032	2.1
115.05460	5.2
117.07028	25.7
119.05009	2.9
119.08592	40.7
121.06519	6.2
121.10149	32.0
123.08056	5.9
123.11706	9.8
127.03951	13.2
128.06233	7.2
129.05501	9.5
129.07002	21.7
130.07773	2.7
131.08571	39.7
133.06506	2.8
133.10124	26.7
135.08084	6.5
135.11705	14.6
137.09631	2.5
137.13269	3.6
141.07019	7.8
142.07849	5.1
143.08572	20.0
145.06480	5.6
145.10130	31.3
147.08052	4.7
147.11690	32.7
149.09598	4.4
149.13266	11.3
151.11189	2.5
155.07350	1.9
155.08530	13.2
157.06398	2.4
157.10135	25.6
159.08081	4.2
159.11725	24.4
161.09581	3.6
161.13292	9.1
163.11163	6.3
163.14859	3.2
165.06946	3.2
165.12740	12.6
167.08542	6.2
169.06396	2.2
169.10118	16.7
171.11647	16.5
171.12900	1.9
173.04497	20.6
173.09633	3.4
173.13293	16.5
175.11252	3.8
175.14864	6.5
177.12720	2.4
179.08533	3.0
181.10181	7.9
183.11703	11.6
185.13293	16.2
187.11197	3.1
187.14836	6.4
193.10167	4.1
193.12184	3.4
195.11719	10.9
195.13750	4.1
197.13264	10.6
199.06004	4.0
199.14821	8.7
207.11755	4.0
209.13266	8.1
211.14853	6.7
221.13229	2.8
223.14798	4.7
225.12761	3.3
225.16399	2.9
235.14943	4.7
241.19598	6.5
255.17531	2.4
259.20648	11.4
261.22147	5.9
267.15958	14.5
269.17526	7.8
271.20572	3.1
273.18558	4.4
275.20215	5.2
285.17062	4.6
291.19525	6.4
301.21579	3.2
333.24197	5.8
335.25833	7.5
337.16391	4.0
349.21539	3.3
365.23376	3.5
367.22836	4.3
369.24139	3.0
380.25940	2.2
411.20200	6.2
413.21619	8.2
417.31854	4.7
435.32651	11.9
453.33325	7.6
471.34692	4.8
509.36328	7.5
517.38757	4.8
525.35535	4.7
527.37390	89.4
528.37897	3.4
529.38531	3.0
539.37183	3.5
543.36206	2.4
545.38507	11.5
551.37805	2.2
569.38055	3.9
597.37738	3.4
635.39368	8.2
653.40094	7.8
671.41571	17.5
689.42645	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	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.2
55.01855	4.9
55.05511	26.7
57.03438	11.1
57.07081	2.9
61.02929	13.7
65.03941	3.5
67.05507	52.2
69.03434	20.3
69.06730	1.8
69.07080	19.2
71.05007	8.6
73.02901	6.4
79.05076	3.0
79.05497	41.0
81.03423	58.7
81.06590	3.2
81.07056	54.3
83.04981	16.3
83.08627	12.8
85.02903	15.0
85.06543	3.3
86.09689	3.4
89.59674	1.5
91.03928	4.0
91.05485	40.9
93.06492	2.6
93.07050	42.7
95.04946	6.0
95.05495	1.5
95.08065	2.8
95.08614	35.7
97.02898	24.0
97.06528	4.9
97.10157	5.8
99.04438	6.6
99.08075	1.8
100.04490	1.7
101.02385	3.9
103.05450	2.3
103.34729	1.5
103.41188	1.6
105.07042	36.1
107.04949	3.8
107.08593	24.7
109.02870	6.7
109.06483	4.2
109.10162	14.4
111.04417	3.3
111.08066	3.9
115.05437	5.2
117.07015	22.3
119.08600	27.4
121.06467	2.9
121.10149	17.9
123.08061	3.4
123.11700	7.8
124.99983	1.8
125.09644	3.4
127.03917	11.5
128.06201	4.5
129.05534	7.9
129.06995	20.2
130.07854	1.9
131.08572	31.4
133.10138	20.8
135.08014	1.9
135.11728	9.2
137.09630	3.7
141.06973	8.1
142.07779	4.2
143.08571	24.9
144.09230	1.8
145.06496	2.5
145.10127	19.9
147.08041	2.1
147.11676	15.9
149.09651	2.0
149.13211	8.7
153.07025	2.4
154.07703	2.5
155.08589	13.9
156.09355	3.0
157.10136	19.1
159.07993	1.9
159.11691	20.8
161.13242	8.1
161.15300	1.8
163.14821	1.7
165.07027	2.4
165.12733	4.8
167.08543	5.7
169.10112	15.8
171.11693	20.1
173.04468	20.6
173.09558	2.3
173.13251	11.1
175.14824	3.3
177.12697	2.7
179.08569	3.3
181.10138	8.2
183.11679	14.4
184.07326	6.3
185.09723	2.2
185.13226	11.2
187.14883	3.2
193.10072	3.7
195.11639	7.0
195.13614	2.4
197.13268	10.6
199.14809	4.9
201.16289	2.4
207.11833	3.8
209.13228	6.8
211.14801	6.0
213.16414	3.3
221.13170	3.7
223.14742	4.8
225.16360	3.5
227.18111	2.4
229.14397	2.1
241.19481	4.4
253.19543	2.2
259.20563	4.4
261.22107	3.5
267.15875	6.9
269.17389	3.7
275.19992	2.1
283.16693	1.9
285.16986	3.1
285.21927	3.3
297.25534	1.7
299.23547	2.0
301.21689	2.0
302.18237	2.2
323.23706	2.0
333.24313	4.1
335.25812	6.2
336.26270	1.9
339.23282	3.8
406.31174	1.8
413.21408	2.0
417.31369	3.4
435.32755	11.7
453.33472	6.6
457.29556	2.2
471.34485	5.1
509.36185	6.0
517.39087	4.5
525.35492	4.4
527.37354	100.0
528.37317	3.8
529.38757	4.5
539.37140	4.0
545.38409	9.8
569.38391	2.9
597.38556	1.7
635.39313	4.0
653.40082	4.9
671.41400	10.5
689.42603	38.9
690.42712	3.8
691.12433	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	13.5
55.01871	5.0
55.05516	30.3
57.03441	18.4
57.07061	3.8
61.02917	9.3
65.03930	3.9
67.05181	3.7
67.05509	55.0
68.35054	2.0
69.03427	22.1
69.07073	22.6
69.28065	22.3
71.04982	10.2
73.02896	6.6
79.05077	3.2
79.05502	50.7
81.03001	4.2
81.03428	63.0
81.07063	82.9
83.04984	16.7
83.08627	15.3
85.02921	17.8
85.06539	4.7
91.03978	5.9
91.05489	53.1
93.07056	54.8
95.04989	11.5
95.08609	43.4
97.02901	28.6
97.06525	6.5
97.10175	2.6
98.21537	5.0
99.04450	6.1
99.08060	3.7
104.09332	2.1
105.07035	42.1
107.04961	3.6
107.08602	31.6
109.02872	9.4
109.06507	4.7
109.10149	14.3
111.04420	6.2
111.08088	3.2
112.01987	2.1
115.05464	2.5
117.07036	24.5
119.08588	34.6
121.06528	4.9
121.10142	21.6
123.08037	3.6
123.11695	7.9
127.03936	10.7
128.06215	5.1
129.05476	8.5
129.06970	16.9
131.08583	35.3
133.10136	24.2
135.08022	5.1
135.11684	15.5
137.09589	2.4
137.13258	2.3
141.06993	8.1
142.07802	4.0
143.08560	20.4
145.10127	30.4
147.11700	24.6
149.09590	3.2
149.13289	10.6
151.11261	3.0
155.08566	14.3
157.10117	20.8
159.11681	20.8
161.13303	11.5
165.12791	8.9
167.08549	7.7
168.09378	3.5
169.10120	16.9
171.11693	17.7
173.04510	16.2
173.13260	14.0
175.11183	4.2
175.14854	6.2
179.08313	3.4
180.56738	2.5
181.10120	9.2
183.11665	15.8
185.09641	2.6
185.13307	12.1
187.11050	3.2
187.14812	7.1
193.10068	4.0
195.11775	11.8
195.13515	3.1
197.09671	3.5
197.13313	13.1
199.14841	8.9
207.11778	2.8
208.07983	2.4
209.13231	9.7
211.14842	7.2
213.16388	3.7
221.13190	5.1
223.14835	4.2
225.16420	4.5
241.19481	4.0
249.16364	3.2
259.20557	7.1
261.22198	3.8
267.15912	8.3
269.17526	4.3
275.20059	3.9
276.20328	2.7
277.21863	2.7
323.23636	3.3
333.24280	5.4
335.25836	7.0
341.24759	2.5
349.21506	3.1
411.20078	4.8
413.21756	4.8
417.31564	3.1
424.94733	2.4
435.32825	14.8
453.33737	8.8
471.34369	4.3
509.36227	8.4
517.39160	5.1
525.35504	4.0
527.37372	100.0
528.37634	7.2
529.37976	4.3
543.36713	3.9
545.38239	8.5
551.37018	3.1
569.38281	3.1
635.39136	5.0
653.40039	6.3
671.41382	12.8
689.42609	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	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	14.1
54.98111	1.6
55.01868	6.6
55.05516	25.7
57.03437	12.4
57.07077	1.6
61.02926	9.8
65.03955	3.7
67.05508	60.3
69.03436	25.5
69.07078	19.7
71.01344	2.0
71.04995	11.0
73.02917	6.5
77.03878	1.9
79.05496	52.8
81.02929	2.2
81.03426	73.1
81.07061	77.8
83.04980	19.6
83.08614	14.7
85.02915	15.5
85.06542	2.9
87.04448	2.5
87.67084	1.6
91.03962	4.2
91.05488	49.2
91.69712	1.8
93.07049	52.9
95.04973	9.1
95.08612	45.4
97.02902	27.6
97.06542	8.1
97.10184	3.4
98.20780	3.5
98.21438	4.7
99.04458	7.5
99.08106	2.8
101.02406	2.3
103.03932	2.4
105.04527	2.3
105.07036	46.3
107.04977	5.1
107.08605	32.1
109.02881	9.4
109.06510	4.7
109.10157	14.0
111.04455	5.3
111.08163	2.6
115.05439	5.4
117.07033	19.5
119.08579	37.1
121.06509	3.6
121.10145	25.6
123.04451	1.7
123.08098	4.5
123.11716	9.7
124.51103	1.5
125.09644	3.2
127.03912	13.8
128.06223	5.3
129.05504	7.6
129.07002	19.0
130.07787	1.9
131.08577	31.9
133.06471	4.2
133.10135	25.1
135.08058	3.3
135.11685	11.8
137.09645	2.2
137.13268	1.9
141.06998	7.2
142.07809	5.3
143.08556	22.5
145.06480	4.1
145.10132	29.5
147.08055	3.4
147.11705	27.8
149.09660	4.6
149.13274	10.2
151.07445	2.0
151.11194	3.6
153.08945	1.6
154.07715	2.4
155.08554	13.5
157.10135	23.7
159.08090	2.9
159.11688	25.8
161.09604	2.8
161.13275	11.4
165.12773	6.9
166.07820	2.2
167.08580	6.8
168.09373	3.2
169.10139	18.3
171.08031	2.0
171.11719	21.9
173.04466	18.6
173.09644	4.6
173.13280	13.5
175.11240	2.5
175.14821	3.3
177.12749	3.3
179.08627	3.7
181.10141	6.7
181.95689	1.8
183.11705	15.1
184.07317	5.0
185.13231	14.3
187.11125	2.0
187.14848	7.9
193.10243	2.5
195.11790	9.7
195.13503	2.3
197.13229	11.2
199.14861	8.0
201.16481	2.2
207.11674	2.3
209.13274	6.6
209.88858	2.1
211.14850	6.1
213.12741	3.6
213.16458	3.5
217.19409	2.1
219.11710	2.3
221.13345	3.6
223.14832	4.3
225.12900	2.2
225.16402	4.5
239.18010	3.8
241.19589	4.0
259.20599	9.0
261.22208	4.0
267.15964	10.7
269.17499	6.1
271.20258	1.7
273.22214	2.8
275.20258	3.0
283.20575	2.1
285.17007	4.0
295.20508	2.4
297.22180	2.3
299.20285	2.1
301.21613	3.7
309.22159	1.9
315.23062	3.5
323.23654	2.4
325.21689	2.9
333.24255	6.9
335.25830	6.2
337.16507	2.5
339.23212	3.3
351.23062	2.6
367.22614	3.6
369.24435	2.6
385.23718	2.6
411.19946	2.9
413.21652	5.7
417.31326	2.6
435.32645	13.8
453.33752	8.7
469.33072	1.7
501.35669	2.1
509.36276	7.2
515.36230	2.1
517.38971	2.9
525.35663	3.2
527.37341	100.0
528.37714	5.4
529.38684	4.9
539.37347	3.8
545.38245	11.8
569.38300	3.7
617.38348	3.0
635.39093	7.4
653.40845	8.7
671.42163	9.6
689.42645	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89260	2.4
53.03944	17.6
55.01877	7.6
55.05515	37.6
57.03444	15.6
57.07070	5.7
59.56140	3.1
65.03946	6.7
67.05510	93.9
69.03432	39.0
69.07074	21.1
69.16917	2.9
69.17232	30.5
70.16093	2.7
71.04993	9.3
73.02926	3.3
74.81237	2.5
77.03900	3.0
79.05503	64.7
81.03419	100.0
81.07059	81.3
83.04988	22.7
83.08624	30.8
85.02906	28.1
85.06559	3.6
87.04479	3.0
89.06030	3.3
91.05490	81.0
91.51117	2.5
93.07050	76.7
95.04978	50.6
95.08609	45.5
96.98308	2.4
97.02919	12.7
97.06525	12.6
97.10175	11.1
98.21466	6.1
99.04475	6.4
103.05457	5.9
103.52491	2.8
105.07041	54.7
107.04954	10.7
107.08601	39.6
109.02871	13.0
109.06514	12.1
109.10164	30.9
111.04478	16.3
111.08096	15.6
113.06018	3.1
115.05473	3.9
117.07040	24.8
119.04983	2.9
119.08585	37.5
121.06511	8.8
121.10165	36.3
123.04436	4.5
123.08079	7.0
123.11697	5.5
124.86986	2.7
125.05987	3.5
125.09671	4.9
127.03928	9.9
128.06210	5.1
129.05441	3.7
129.07024	22.1
131.08577	33.5
133.06471	8.1
133.08754	3.0
133.09174	3.5
133.10127	23.4
135.08084	7.1
135.11687	19.3
137.09625	5.7
141.07082	3.3
142.07837	5.1
143.08585	13.2
145.06531	3.9
145.10168	19.8
147.04468	3.7
147.08043	7.2
147.11693	30.1
149.09618	13.4
149.13266	7.4
153.12744	6.9
155.08583	9.1
157.06487	2.9
157.10133	21.7
159.08087	6.8
159.11726	19.1
161.06149	2.5
161.13293	5.9
163.11229	7.9
165.12689	3.5
166.36748	3.1
169.10126	7.8
171.08066	4.2
171.11676	8.0
173.09641	4.4
173.13293	13.5
175.11189	19.4
175.14767	3.4
181.12279	7.1
183.11780	3.5
185.09695	4.8
185.13228	6.8
187.11276	4.5
187.14883	4.5
189.11264	4.1
191.10686	6.5
193.10442	4.4
193.12274	59.3
197.13293	4.4
199.14848	5.3
211.13287	83.3
227.12723	8.3
229.14296	14.3
235.13297	3.1
257.18903	3.2
259.20505	3.5
261.22202	4.7
267.15869	10.4
283.15463	2.7
285.16962	13.8
289.22040	3.0
301.21585	6.1
303.23083	3.8
315.85904	2.9
327.22961	4.6
335.25769	4.6
339.22995	2.9
339.28885	9.1
341.24866	5.1
345.24164	4.6
351.23172	9.8
355.17535	8.6
369.24176	19.4
375.18616	2.9
387.25104	8.8
443.28101	5.8
461.29056	7.6
493.38654	6.5
545.38446	6.3
569.37878	3.8
591.44324	4.0
653.40125	13.0
671.41443	12.6
689.42462	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55470	1.2
53.03950	6.5
55.01871	5.9
55.05516	18.0
56.18061	1.2
57.03209	1.3
57.03448	10.2
59.05006	1.4
61.02647	2.0
61.02930	27.6
65.03938	2.5
67.05505	20.7
69.03435	20.8
69.07070	18.1
70.98969	1.3
71.01369	1.9
71.04997	5.9
71.51572	1.3
73.02916	10.1
79.05062	2.4
79.05496	25.7
81.03419	26.7
81.07061	23.7
83.04974	7.6
83.08613	9.1
84.04555	1.1
84.87437	1.2
85.02906	32.1
87.04444	2.5
91.03956	12.7
91.05485	19.2
93.07042	16.5
95.04980	10.4
95.08615	11.6
97.02899	30.7
97.06526	3.3
97.10191	10.7
99.04485	6.1
101.02366	4.0
103.03959	2.6
103.05473	1.2
105.07041	15.7
107.04961	10.3
107.08589	13.4
109.02879	10.0
109.06543	4.7
109.10139	11.2
111.04467	2.9
111.08083	3.5
115.03963	2.7
117.07056	7.0
119.04984	1.9
119.08603	8.9
121.02818	1.7
121.06519	6.4
121.10154	6.7
123.04465	2.0
123.08094	4.8
123.11655	2.1
125.09625	9.4
127.03915	15.3
129.05499	1.8
129.07033	4.8
131.08554	8.5
133.06509	4.0
133.10138	9.7
135.08052	5.8
135.11728	3.2
137.05952	2.2
137.09654	2.0
139.03870	3.1
143.08583	2.9
145.04936	4.0
145.06572	1.5
145.10144	8.0
147.08049	7.7
147.11708	4.9
149.06010	1.6
149.09647	4.6
149.13249	1.3
151.07527	2.3
151.11208	4.0
153.09065	1.9
157.10135	3.1
157.18658	1.4
159.11742	3.1
161.09650	3.5
163.11169	2.7
165.09087	3.7
169.12222	1.6
171.11679	2.2
173.04617	1.7
175.11240	3.4
177.12787	2.0
179.10643	2.0
183.06575	3.6
189.09448	1.3
189.11217	6.5
193.12311	5.4
195.13785	1.4
201.07558	1.8
203.17961	1.4
211.13303	5.8
223.13261	14.4
227.12856	6.1
229.12151	2.0
229.27921	1.7
235.13341	1.7
237.16444	1.9
245.19217	1.6
249.14894	4.6
253.14363	3.1
255.17519	1.4
257.12604	1.5
267.15884	2.9
269.14023	1.8
271.15265	1.4
273.18484	16.2
283.10907	1.8
283.15454	1.5
285.16943	2.2
291.19534	100.0
292.19748	2.0
301.11813	1.6
315.30545	1.4
347.22180	9.2
365.23242	35.0
366.23730	1.4
389.23077	1.5
393.22879	1.8
413.17859	2.7
429.21255	2.2
435.23776	1.8
473.25171	2.8
491.26361	2.3
509.27377	6.1
527.28497	4.4
585.28839	9.5
622.57495	1.4
689.33423	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	688.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.5
57.07080	83.8
59.04712	1.1
59.05006	16.2
61.59183	0.9
67.05505	2.4
67.85071	0.8
69.07063	2.2
69.35149	4.1
69.35574	3.7
71.08637	55.1
73.06573	5.0
79.05473	1.2
79.73006	0.9
81.07043	2.5
83.08617	1.2
85.10188	47.6
87.04477	15.6
89.06039	100.0
90.28056	1.2
91.05519	1.6
91.07621	1.1
91.95690	0.9
93.07077	1.1
95.08629	1.1
98.20783	2.1
99.11742	7.1
103.07593	7.9
105.07026	1.2
113.13281	3.1
114.59763	0.9
117.09143	4.0
119.08601	1.1
120.88658	1.0
130.08632	1.8
131.07077	5.0
133.08618	80.9
155.17978	6.7
175.09692	4.4
177.11230	32.5
184.07338	1.5
199.87004	1.0
213.22162	4.6
221.13821	7.0
230.14977	1.0
257.24768	4.1
265.16547	2.6
283.17441	2.0
304.02963	1.0
371.22806	2.2
415.25250	2.0
459.28091	7.7
499.31149	1.3
688.51617	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	688.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51251	1.0
53.03933	1.0
55.05515	4.8
57.03427	1.7
57.07078	100.0
57.49825	0.9
59.05005	27.4
64.18893	0.8
67.05508	5.5
69.03426	1.7
69.07076	4.8
71.08633	94.5
73.06574	2.1
79.05497	5.2
81.03429	5.1
81.07050	4.1
83.08611	5.4
85.02887	1.0
85.10185	93.2
87.04478	9.7
89.06033	76.1
89.06502	1.0
91.05488	5.1
93.07033	4.0
95.04957	2.8
95.08591	2.7
97.02830	1.1
97.10179	2.0
98.06855	0.9
99.11743	12.2
101.09624	2.4
103.07563	1.4
105.07037	4.2
107.04935	0.9
107.06995	1.3
107.08563	2.9
109.10159	1.4
117.06981	1.4
117.09161	6.2
118.07333	1.1
119.08572	2.3
119.84720	0.9
121.06441	1.0
121.10137	1.1
123.04435	1.2
123.11725	0.9
129.06944	1.6
130.08597	1.6
131.07028	3.6
131.08522	2.3
133.08611	60.8
133.10097	1.8
134.03502	0.8
135.11734	1.2
141.16393	11.8
143.08534	1.2
145.10097	1.7
147.11690	1.6
169.10149	1.1
169.19456	1.1
171.11662	1.7
175.09671	3.2
177.11230	24.5
193.12227	1.6
199.20567	21.2
211.13358	2.0
212.13705	0.9
218.98232	0.8
219.12042	1.2
221.13887	4.4
235.15425	1.0
239.14909	0.9
240.23100	1.4
257.24683	8.3
283.17426	1.5
309.18826	1.1
327.20056	2.1
343.93500	0.9
344.00342	0.9
371.22833	1.7
392.06580	0.9
392.11676	1.1
415.25311	10.7
449.68912	1.1
468.19196	1.1
473.29416	1.3
652.39014	1.6
688.40692	3.2
688.51685	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	686.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.1
56.68380	0.9
57.03436	2.4
57.07078	100.0
59.04716	2.2
59.05003	36.3
60.76968	1.0
67.05492	1.6
69.07063	2.3
69.99702	2.9
71.08633	69.1
79.05484	1.8
79.98177	0.8
81.07041	1.9
83.08623	2.7
85.10186	61.6
87.04453	2.3
88.59758	0.9
89.06032	21.2
93.07033	2.1
95.08588	1.5
97.10162	2.8
98.20913	1.4
99.11732	13.2
101.09657	3.5
107.08583	0.9
109.10166	1.5
113.13279	3.5
117.09145	13.8
133.08597	13.4
136.06161	1.1
155.17982	7.8
177.11206	5.2
213.22137	16.0
271.26343	19.0
283.17523	7.4
341.21899	1.2
686.45886	1.4
692.56750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23258	0.7
55.05502	3.5
55.11613	0.7
57.03434	1.4
57.07079	100.0
59.05006	39.3
63.50973	0.7
64.88962	0.7
66.37420	0.7
67.05499	1.3
69.07066	2.8
71.08636	72.9
81.07049	1.3
83.04982	0.8
83.08621	2.8
85.10187	61.5
87.04467	3.2
89.06040	22.8
89.84236	0.8
93.07058	0.8
95.08591	0.9
96.35363	0.8
97.10165	4.6
98.21499	2.2
99.08109	1.0
99.11742	12.1
101.06039	0.8
101.09677	2.7
111.11711	1.2
113.13299	5.1
115.07541	0.9
117.09138	15.5
130.08615	0.9
133.08621	16.4
147.10028	1.0
155.17953	9.2
158.11784	1.1
175.66135	0.7
177.11264	8.1
213.22127	17.1
271.26334	19.7
272.26614	0.8
283.17569	7.4
329.30423	1.4
341.21625	2.8
484.07669	0.8
540.81567	0.8
599.32117	1.0
686.46521	1.6
686.55396	1.2
713.92987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01875	1.2
55.05504	3.3
60.22475	0.8
67.05511	7.4
68.64399	0.8
68.85013	0.8
69.03437	3.0
69.07094	4.0
69.16753	8.9
71.05003	1.2
79.05494	8.6
81.03427	5.1
81.07056	12.1
83.04984	2.3
83.08633	1.6
91.05470	6.3
93.07053	7.3
95.04983	2.4
95.08612	4.3
97.02885	1.4
97.06536	2.7
97.10156	0.8
105.07038	7.7
107.04947	2.3
107.08620	4.5
108.08073	0.9
109.02906	1.3
109.06522	1.2
109.10181	1.9
111.04439	1.0
114.21444	0.8
117.07040	3.0
119.08572	6.0
121.10207	2.4
125.09696	1.5
129.07018	0.9
131.08597	3.4
132.08067	0.9
133.06511	1.4
133.10144	4.3
135.11703	1.6
143.08563	1.6
144.08142	1.0
145.10139	2.5
147.11717	1.9
149.09607	0.9
149.13199	1.1
155.55450	0.9
159.11710	2.6
163.11137	1.1
171.11687	0.9
179.14420	1.0
183.09172	1.2
195.13776	0.9
197.10857	1.4
199.08624	1.9
200.95393	0.8
208.09743	2.0
209.10693	5.3
210.11552	3.0
211.12355	2.2
221.10753	1.8
222.11542	2.6
223.08722	1.6
223.12343	3.7
224.09322	1.1
224.13048	3.9
225.13943	4.3
227.08186	0.9
229.19664	1.0
232.09679	0.9
235.12317	1.5
236.13097	1.5
237.10225	2.4
237.13857	13.6
238.14676	6.8
239.12056	0.9
239.15508	4.3
241.09593	1.3
249.13976	1.3
251.08266	1.0
251.11813	1.1
253.13408	1.5
255.07712	1.5
257.19034	1.3
265.13388	9.5
266.14185	3.8
267.14981	3.4
273.12436	2.5
275.20108	6.9
290.41174	0.9
297.12329	2.8
299.10413	0.9
299.15228	1.0
300.15012	1.0
301.12357	0.9
315.13367	3.2
325.15527	8.9
326.12958	1.1
326.16391	2.0
327.17020	4.6
328.18237	1.4
336.14761	1.3
343.13092	1.4
372.16989	1.0
373.15164	1.0
386.18976	1.3
388.20309	2.1
395.19907	0.8
400.16394	1.8
402.21844	1.6
407.18872	1.4
414.18188	1.7
419.18994	1.9
422.17630	1.0
423.18066	1.3
430.21304	1.4
433.20618	1.3
437.19467	2.5
466.20691	1.2
469.22034	1.2
475.21158	1.0
481.22495	2.0
482.23615	1.3
490.23016	1.4
491.23978	3.2
496.25162	1.1
497.25543	2.8
505.22772	1.0
507.23883	2.8
508.22610	0.9
511.24033	1.2
521.25159	1.4
524.24445	1.9
525.25085	5.3
535.23285	2.9
538.21338	0.9
539.26501	2.0
540.27148	2.0
549.24890	3.9
567.26111	4.5
568.26038	1.7
579.25763	1.5
585.27032	1.4
595.25409	3.7
599.25366	1.0
609.27148	13.0
611.28949	1.3
623.25037	1.9
625.26526	1.0
627.28143	31.5
628.28625	1.0
637.26648	4.9
655.27649	100.0
656.28015	4.4
687.29358	3.0
687.40875	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	686.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54638	1.1
53.03943	2.6
55.05517	11.0
57.03439	10.2
57.07060	1.8
59.04996	4.6
61.02908	3.8
65.03939	2.6
67.05507	100.0
68.99873	1.1
69.07081	8.4
70.63378	3.1
71.04997	3.2
79.05500	19.1
81.07062	34.5
83.08627	9.5
85.02921	3.3
85.06565	1.3
91.03937	1.6
91.05483	13.9
93.07043	23.2
95.04971	1.7
95.08604	27.7
97.02876	1.4
97.06550	1.0
97.10149	2.1
99.08125	1.5
105.07047	6.7
106.32198	1.1
107.08596	12.4
109.10162	74.5
111.08069	2.9
117.06994	1.7
119.08595	11.2
121.10145	10.1
123.11702	3.2
127.03873	1.2
131.08577	5.7
133.10150	5.5
135.11696	6.4
137.09636	2.9
145.10110	3.7
147.11688	3.6
149.13266	4.0
153.99884	1.2
155.10686	8.4
158.39001	1.4
159.11711	2.6
161.13278	2.9
163.14787	2.6
173.11771	19.0
173.13188	2.9
175.14832	1.2
177.16478	1.8
187.14745	1.4
227.12790	5.0
229.14363	98.4
230.14722	2.4
231.56953	1.4
243.21101	4.2
261.22144	16.3
317.24866	2.7
335.25809	65.1
354.91724	1.4
379.53735	1.4
415.32147	1.5
471.34671	1.6
489.35788	40.0
507.36859	3.2
581.69348	1.4
680.39227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29638	1.2
53.03937	1.8
55.01858	1.5
55.05272	1.1
55.05513	11.8
57.03444	12.3
57.07072	2.7
58.88383	1.0
59.04990	4.1
61.02920	4.7
61.40653	1.0
65.03925	2.6
67.05507	100.0
68.05840	1.2
69.03432	1.6
69.07078	9.3
69.56576	1.0
70.63265	2.2
70.63658	2.1
71.04981	3.9
79.05498	23.2
80.02384	1.1
81.03404	1.8
81.06591	2.1
81.07059	38.0
83.08627	10.8
85.02898	3.6
85.06528	2.1
91.03923	1.6
91.05479	18.6
93.07043	25.8
95.04971	2.7
95.08611	23.8
97.02882	2.2
97.10184	2.0
105.07046	9.0
107.08610	14.3
109.06502	1.2
109.10162	69.7
111.08085	3.2
117.07009	3.5
119.08595	10.9
119.73035	1.2
121.10150	10.9
123.11710	3.7
129.07022	1.1
131.08589	6.6
133.10097	5.6
135.11693	8.5
137.09610	3.4
144.69417	1.2
145.10121	4.2
147.11684	3.7
149.13269	3.3
149.28575	1.0
155.10654	6.7
159.11711	4.0
161.13239	2.5
163.14926	2.4
167.20174	1.0
173.11784	17.7
173.13264	3.1
185.13344	1.4
187.14845	1.6
222.08430	1.2
223.89738	1.0
227.12740	3.0
229.14355	78.2
243.21124	5.0
261.22141	14.5
282.75388	1.4
317.24692	1.3
335.25818	72.7
336.25952	2.2
489.35794	47.0
490.35883	1.5
507.36798	3.1
687.41089	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4494
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
52.34007	0.4
53.03936	0.4
53.24832	0.4
55.01886	0.4
55.05510	1.3
57.03434	0.6
67.05505	2.8
69.07063	1.3
71.51745	0.6
74.87511	0.4
79.05499	2.9
81.07044	2.3
83.04986	0.8
83.08624	0.9
85.02937	0.4
91.05486	2.1
93.07040	3.2
95.08626	1.5
97.06560	0.5
100.65992	0.4
105.07037	1.3
107.08606	1.3
109.06500	0.6
109.10131	0.7
117.07030	0.5
119.08595	0.9
121.10176	0.7
129.07007	0.4
131.08513	0.5
133.10129	0.9
135.11728	0.6
147.11679	0.6
317.20822	1.0
333.20447	5.1
356.02301	0.4
373.23535	1.5
389.23068	3.6
554.28644	0.4
683.44928	100.0
684.45239	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	685.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01865	1.3
55.05318	0.5
55.05515	6.0
57.03440	0.7
57.07071	2.4
65.03936	0.6
67.05507	9.7
69.03416	2.1
69.06725	1.0
69.07071	11.0
71.05000	1.2
71.50789	1.0
79.01868	4.0
79.05501	5.6
81.07062	29.4
83.04984	2.1
83.08623	4.1
83.90834	0.6
85.02904	0.7
85.06539	2.2
91.05473	3.5
93.06486	0.9
93.07055	13.7
95.04989	3.6
95.08614	28.1
97.02866	1.2
97.06528	2.6
97.10178	5.6
99.08133	1.1
105.07037	6.9
107.08603	14.4
108.68889	0.6
109.06505	1.0
109.10163	9.6
111.04430	2.0
111.08091	3.0
111.11707	1.2
117.07016	0.8
119.08586	4.7
121.10152	8.3
123.08102	0.7
123.11710	20.8
125.02356	3.5
125.09634	1.2
127.03898	0.9
129.05463	0.8
130.08743	0.9
131.08586	1.5
133.10141	2.2
135.11682	6.0
137.05925	0.8
137.13269	5.0
139.03897	2.2
139.11182	3.9
143.03377	5.4
143.08589	0.8
145.10143	1.2
147.11678	4.6
149.13275	15.2
151.11224	0.9
153.01842	100.0
153.02879	4.7
153.12717	2.9
154.02162	1.0
157.05020	0.7
157.12227	1.9
159.11745	2.0
161.13292	3.0
163.14830	1.9
165.12753	1.7
169.12241	1.3
171.02795	0.7
171.11784	0.7
171.13815	0.8
173.13327	1.2
175.14871	1.0
179.14368	0.7
187.13326	1.3
189.16455	1.6
201.70126	0.6
203.12796	1.5
203.18034	1.2
213.16457	0.8
223.16905	0.8
235.16966	1.1
265.25204	0.7
269.22693	1.6
275.23648	1.0
277.25229	1.9
280.72513	0.6
287.23724	6.5
293.24701	1.1
305.24768	14.8
309.06140	2.4
323.25836	2.4
325.16443	2.8
327.07135	2.5
341.16000	1.2
343.17554	1.8
345.08200	1.0
355.17532	1.5
449.28909	0.8
457.25748	1.1
461.29062	2.3
467.29877	0.8
479.29919	3.1
495.18509	5.4
497.30878	0.9
529.21875	1.1
619.30811	1.0
631.31116	0.9
649.31909	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67384	1.4
55.01871	1.6
62.35977	1.4
62.50483	1.5
63.39890	1.6
66.18713	1.4
67.05524	2.6
69.07059	4.5
70.06589	4.8
71.51333	2.9
72.08141	2.9
74.54713	1.5
81.07046	2.7
84.04524	1.6
84.08147	1.5
85.02885	1.6
91.05505	7.1
93.07047	11.9
94.06548	5.9
95.04951	2.3
105.07046	4.4
106.06573	8.8
107.04987	2.2
108.08125	3.2
109.06538	3.0
110.06030	3.4
111.08083	5.2
117.07049	1.8
118.06510	1.6
120.04446	1.9
120.08109	3.7
121.05289	1.8
121.06512	5.3
122.06052	8.6
124.07531	3.5
132.08101	2.9
134.09673	7.0
135.08029	2.9
136.07565	12.2
137.06012	6.5
138.05493	2.6
138.09068	2.0
139.03920	6.6
140.07065	10.7
142.08656	3.9
146.06038	3.2
147.06795	1.8
148.07622	16.7
150.05513	2.4
150.09189	5.6
151.03885	2.3
152.07098	2.3
152.10727	4.7
153.01833	7.1
154.08655	6.9
160.07613	2.2
162.05524	3.3
162.09158	38.3
163.03822	1.8
163.07552	4.2
164.07053	5.2
166.08653	47.3
167.07082	3.9
168.06540	2.6
171.09218	3.6
172.04001	2.2
173.10762	4.7
174.05563	2.0
174.09169	3.2
178.04909	1.6
178.08615	2.1
180.10217	40.2
185.10704	1.9
186.09090	2.1
188.03458	4.8
190.08662	4.6
192.06760	1.8
194.08072	2.1
198.09276	2.1
199.08714	6.3
200.07040	2.5
201.10219	6.1
204.06680	1.7
206.08148	3.1
208.09706	80.4
209.10081	4.2
211.08655	5.5
213.10196	9.6
214.08749	2.6
215.08199	6.4
216.10214	2.2
218.08043	2.1
218.98824	1.7
220.09665	3.7
222.11191	1.8
225.10233	6.6
226.08891	2.3
226.11020	3.7
227.08246	12.3
227.11835	5.4
229.09833	2.0
239.11861	7.6
241.09747	16.1
242.10573	1.7
243.11298	15.3
245.06766	1.9
245.09308	4.7
246.07642	3.1
249.10211	2.7
251.12054	2.2
252.08975	3.5
253.09689	12.6
255.11519	2.4
259.10855	21.2
261.12323	7.9
265.09741	7.5
266.10495	6.5
267.08569	2.4
267.11282	15.6
268.12161	3.6
269.09290	11.7
269.12704	7.4
277.09644	1.6
279.11298	4.2
281.09174	3.2
283.10751	2.7
285.08789	5.6
285.12424	4.3
286.09442	2.5
287.10342	79.1
287.13858	11.8
293.09241	4.5
295.10883	13.5
297.12482	2.2
301.11847	2.8
303.13336	3.6
305.11334	7.2
305.14932	4.4
311.10239	4.3
312.10931	3.9
313.08322	3.1
313.11844	43.6
314.12402	3.6
315.13510	1.8
319.09378	2.7
319.12918	21.5
323.10217	2.3
325.11765	3.9
327.13281	3.0
331.12817	2.2
335.16373	2.3
337.11807	2.7
339.09735	5.1
341.11343	23.0
345.14630	2.0
349.13965	2.6
353.11475	9.1
354.11896	2.6
355.12756	2.9
359.12411	2.6
373.13983	82.4
374.14514	2.0
421.41168	1.7
444.17715	4.6
448.18689	1.6
450.20309	2.2
452.18378	2.7
458.16605	1.6
468.21359	6.9
476.19339	7.1
494.19296	81.2
495.19403	3.4
508.20404	4.8
512.19946	9.0
526.21912	100.0
527.22052	4.1
591.24591	4.2
615.24200	4.3
633.24963	7.0
647.26758	3.1
651.26636	11.6
665.26593	2.1
683.29858	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	683.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49931	2.0
79.97630	1.4
90.32734	1.5
98.30682	1.3
133.28519	1.2
330.13965	1.4
343.04230	26.0
379.06339	54.8
515.58319	1.5
567.13055	7.9
665.13312	2.3
683.14282	100.0
684.14801	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	683.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
62.65320	0.7
69.03442	0.8
69.07078	1.4
69.87189	4.4
70.06587	1.0
71.63495	0.7
79.05473	0.9
88.64435	0.8
90.81028	0.7
91.05470	3.4
93.07045	5.2
94.06567	2.8
95.04964	1.6
95.08607	1.0
105.07011	0.8
106.06566	2.6
107.08553	0.9
108.08128	1.0
111.08109	4.3
120.08147	1.1
121.06506	1.6
122.06025	6.2
124.07610	0.9
132.08139	1.1
134.09647	4.1
135.08043	1.9
136.07584	9.3
137.06010	1.8
140.07066	5.3
144.08069	1.0
146.05927	1.0
148.07593	3.7
150.09175	2.7
152.10725	2.5
153.01822	0.9
154.08627	7.1
158.06062	0.9
162.05574	1.2
162.09148	33.3
163.07538	1.7
164.07091	1.5
166.08647	11.5
171.09241	2.0
173.10764	5.3
174.09138	1.3
178.08665	2.2
180.10190	24.4
186.09245	1.1
188.03488	0.9
190.08664	5.1
194.08101	1.4
197.10753	1.5
198.09146	1.0
199.08687	3.3
201.10240	4.3
204.06581	1.4
206.08192	1.1
208.09689	65.3
209.10081	1.5
211.08611	1.6
212.09465	1.1
213.10258	7.1
214.08670	1.4
215.08081	5.5
215.11751	2.6
218.08087	1.4
220.09767	2.3
223.08664	1.3
225.10320	1.9
227.08145	11.1
228.08957	1.5
231.10970	1.0
237.10245	1.5
239.11809	2.9
240.08891	1.0
241.09717	13.8
243.11313	13.6
245.09155	3.8
246.07637	2.9
251.11745	1.5
252.08961	1.3
253.09714	6.1
257.09512	0.9
259.08102	1.6
259.10757	15.2
260.11212	3.8
261.11969	1.9
265.09674	3.4
266.10544	1.6
267.11252	5.2
268.74710	0.8
269.09183	11.2
269.12488	1.3
279.11209	1.4
285.08783	1.0
285.12347	2.1
286.09467	1.6
287.10272	100.0
288.10693	1.8
293.09140	2.6
295.10828	7.2
297.12189	1.3
301.11795	3.2
302.12186	2.1
303.12741	1.8
305.11411	1.1
307.10614	1.6
309.12311	1.4
311.10364	1.5
313.11801	12.7
319.12921	12.2
320.13397	3.8
321.13513	2.9
323.10223	1.1
325.11768	2.4
331.12692	1.0
335.10440	1.1
335.16064	1.0
337.11743	2.4
338.14203	1.1
339.10031	0.9
341.11371	7.9
353.11377	8.5
355.13010	2.3
359.12180	1.0
373.13989	23.2
430.16904	1.0
444.17499	0.9
448.18948	1.8
450.20529	1.3
468.21042	3.5
476.18646	2.7
494.19247	73.2
495.19086	3.4
508.20871	1.7
512.20245	7.3
524.20721	1.0
526.21851	79.1
527.22021	2.6
558.50385	1.0
615.24268	1.5
633.25323	1.4
651.26489	2.2
683.29572	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32279	1.4
52.51207	1.2
53.03940	2.5
55.01883	1.7
56.23405	1.3
67.05502	2.8
67.38734	1.4
69.07048	3.0
69.30784	11.8
79.05484	2.3
79.64122	1.3
81.07050	2.8
85.02918	1.8
89.06042	1.2
91.05500	10.8
93.07050	11.3
94.06544	5.2
95.04952	3.2
95.08602	1.8
105.07014	1.3
106.06563	2.3
107.04978	1.5
108.08117	3.3
109.06529	2.3
110.06038	3.1
111.08082	6.4
117.06996	1.8
119.08595	1.6
120.04444	2.5
120.08086	2.1
121.06519	5.5
122.06049	8.9
132.08086	1.7
134.06000	2.1
134.09668	8.5
135.08060	2.9
136.07570	10.5
137.05943	3.1
138.05502	1.9
138.09158	3.3
139.03802	1.6
140.03452	2.0
140.07063	6.0
144.08107	1.6
146.06076	2.2
148.03932	3.4
149.07053	1.6
150.09131	1.8
152.07140	3.1
152.10689	6.3
153.01817	4.7
154.04987	2.5
154.08662	1.6
160.07570	2.9
162.05499	4.0
162.09152	40.1
163.07535	3.2
164.03445	1.6
164.07117	1.6
166.05020	1.8
166.08705	1.7
180.10197	35.5
184.07741	1.6
185.07028	1.6
185.10770	1.9
186.09293	1.8
188.07091	1.6
190.08658	8.4
199.08617	4.6
201.10298	3.5
204.10178	1.5
206.08302	1.5
208.09697	78.2
209.10477	2.1
211.08598	2.4
211.12057	1.6
213.10220	7.3
215.11824	5.8
225.10168	2.3
227.11732	2.9
231.11208	2.1
237.10179	5.3
238.08620	1.6
239.08076	1.9
239.11865	2.4
241.09688	4.1
243.11310	24.6
251.08391	2.1
252.08838	2.1
253.09644	3.1
255.11258	4.6
257.12781	4.3
259.10837	8.6
265.09671	6.5
267.11188	7.7
269.09241	2.7
270.07538	3.1
273.12354	6.7
274.13235	2.0
283.10797	7.1
284.09067	2.6
285.09100	2.2
285.12335	36.6
287.10287	6.4
293.09146	13.2
295.10709	3.8
297.12219	3.0
301.11829	9.6
302.12689	3.3
303.13455	30.1
311.10333	14.4
312.08618	8.9
313.11765	3.0
318.12341	1.8
319.12894	8.4
325.11749	3.3
329.11490	7.9
330.09726	5.4
332.14352	1.6
334.12076	2.3
336.13409	2.9
343.12875	4.8
344.10913	6.8
346.11896	2.6
347.12512	12.0
353.11218	3.0
360.13593	2.4
361.14133	11.1
362.11234	1.5
364.12888	2.7
374.14996	1.8
376.12839	5.0
378.14502	5.4
388.12970	1.8
390.14157	1.9
394.13336	1.7
402.14362	2.7
404.12158	7.1
405.13016	3.2
406.13913	8.0
414.14545	2.4
416.16330	1.6
422.13461	3.8
424.15103	13.9
430.13885	2.5
432.15256	2.7
454.16104	2.8
456.16971	1.7
458.13846	2.2
474.16837	2.9
476.14340	2.6
490.16074	4.6
492.17398	4.7
524.20087	3.8
569.23279	1.6
577.21027	1.7
587.25177	2.1
595.21973	12.9
596.20581	2.1
613.22913	37.0
614.21924	3.7
627.24042	3.8
631.23975	100.0
632.23816	4.6
645.25348	11.1
649.24860	9.9
663.18024	1.6
663.26648	20.1
681.27258	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	681.277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33906	0.4
52.73357	0.3
55.01865	0.6
55.05502	0.4
61.64313	0.3
67.05480	1.1
69.07046	1.6
69.45911	1.5
69.46332	1.0
74.15076	0.4
83.04939	0.4
84.08140	0.5
94.06562	3.6
95.04954	0.8
97.06544	1.0
108.04449	1.1
110.06017	1.8
112.07633	0.5
116.04998	0.7
118.06519	0.5
120.08135	0.5
120.19451	0.4
121.06476	0.7
122.05167	0.7
122.06033	10.9
122.06901	0.9
123.04375	0.4
124.07582	1.4
131.08546	0.4
136.07550	0.8
138.05490	0.7
140.07059	12.2
144.04462	1.9
145.10194	0.4
146.06033	5.6
148.07509	0.8
149.07069	0.7
150.05458	1.8
152.07053	1.9
158.09651	0.7
160.07558	1.3
160.10004	0.9
162.05515	1.1
162.09215	0.5
164.07069	0.5
170.09679	0.8
172.03941	10.2
173.04625	1.1
173.10719	0.5
174.05505	4.9
175.08675	1.1
175.12315	0.7
184.07730	0.5
186.09155	5.3
187.08672	1.6
188.07013	0.6
188.09427	1.4
189.10245	0.5
191.05724	0.5
196.07602	1.1
198.09140	1.0
200.07118	0.8
200.10699	1.8
201.10196	1.1
202.08504	0.7
202.11008	2.8
203.08089	0.4
203.11818	6.2
204.06573	17.0
206.08153	6.5
208.09627	0.8
213.10223	2.0
214.08646	11.3
214.10686	0.7
215.08163	4.4
215.11681	0.6
216.08916	0.9
217.09732	1.2
218.10387	0.5
227.11818	1.0
228.10233	4.8
229.09692	2.4
229.13339	0.6
230.10492	1.4
231.11288	6.3
238.08655	0.6
240.08894	0.6
241.09665	2.3
242.08170	2.2
243.11359	1.0
245.09215	2.0
245.12900	1.0
247.10805	1.5
255.11273	6.7
256.09729	3.1
257.09381	1.1
257.12854	1.5
258.09863	0.6
259.10791	80.4
260.11121	1.4
271.10623	0.9
273.12372	7.5
274.10687	0.4
277.15775	0.4
283.10779	4.1
285.12473	0.9
287.10220	1.2
300.12140	0.5
301.11841	65.7
302.12186	1.2
313.11783	8.5
317.11343	0.4
319.12891	100.0
320.13156	1.6
327.13199	0.6
331.12854	1.6
335.12338	1.2
337.13947	22.1
338.14182	0.5
345.14496	7.4
385.14279	0.4
429.84650	0.4
479.70895	0.4
505.18430	0.9
508.17154	0.9
523.19720	1.1
645.25354	1.1
663.26758	5.4
681.26855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96119	0.5
59.32544	0.5
62.62724	0.4
65.03937	0.6
67.05497	0.6
68.05018	0.7
69.07056	0.8
70.06054	2.0
75.21641	0.4
87.26736	0.4
91.05466	0.5
94.06558	1.7
95.04970	0.6
97.06516	1.3
108.04462	1.0
110.06036	1.4
112.07611	0.7
122.06026	8.9
124.07534	0.7
136.07605	1.1
140.07057	5.7
144.04456	1.0
146.06003	5.0
150.05479	1.7
152.07069	1.9
153.01907	0.5
158.09637	0.6
160.07600	1.4
162.05499	0.8
162.09151	1.2
164.07074	0.9
172.03925	7.0
172.07605	0.7
174.05516	2.3
175.08662	0.8
175.12262	0.8
176.07069	0.5
186.09148	5.2
187.08630	1.0
188.07150	0.7
188.09309	0.8
196.07599	1.4
200.06999	0.8
200.10733	1.7
201.10223	1.0
202.08902	0.9
202.11002	3.0
203.11774	5.4
204.06577	11.8
205.23318	0.5
206.08159	4.1
208.09651	2.5
213.10254	2.0
214.08652	10.0
215.08138	4.6
215.11656	0.8
217.09726	0.7
217.13443	0.5
218.10439	0.6
227.11852	1.1
227.23581	0.6
228.10243	4.2
229.09770	2.3
230.10579	1.5
231.11322	6.2
241.09694	2.3
242.08127	2.1
245.09221	1.3
245.12868	1.2
246.09888	0.7
247.10768	1.3
255.11270	4.9
256.09650	2.4
257.09189	1.0
257.12833	1.6
259.10797	77.4
260.11102	1.5
273.12332	7.0
283.10751	3.4
285.12247	0.9
287.10193	0.7
301.11844	59.9
302.12289	0.6
303.13318	0.8
313.11917	3.7
317.11444	0.9
318.12100	0.6
319.12897	100.0
320.13171	2.3
335.12289	0.7
337.13968	23.2
338.14050	0.7
345.14502	4.0
357.11697	0.6
474.18881	0.6
524.19818	0.9
598.50439	0.6
603.94397	0.5
609.21539	0.6
631.24329	0.7
645.25867	0.7
663.26593	1.1
681.27838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85554	6.0
55.01854	8.7
55.05505	26.9
57.07071	13.1
67.05514	79.1
69.07058	29.8
70.10656	29.3
71.04952	9.2
71.08623	37.4
79.05487	74.7
81.03449	11.9
81.07059	100.0
83.04993	18.5
83.08608	21.4
91.05491	45.0
91.05996	8.0
93.07047	80.5
95.04959	16.0
95.08621	60.2
97.06520	15.7
98.47917	7.3
99.08082	30.2
105.07027	39.3
107.08592	41.6
109.10146	15.4
111.08059	8.2
117.07024	13.0
119.08570	25.1
121.10130	28.8
131.08560	16.8
131.59097	5.8
133.10136	26.2
135.11688	40.0
143.08513	7.7
147.11665	12.6
149.09598	8.2
149.13240	15.9
151.11188	21.4
156.37088	7.0
159.11736	15.4
161.13272	21.9
163.11194	16.4
179.14311	95.5
184.07314	8.4
249.89783	5.9
269.17499	22.7
277.21600	73.7
287.84305	6.4
312.97159	6.9
351.25305	46.6
545.38324	87.4
627.46063	41.0
680.50653	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	680.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24477	10.8
55.05506	53.4
57.03422	18.9
65.03951	14.5
67.05516	89.6
69.07060	28.1
69.69154	74.4
70.02086	13.6
71.08630	23.7
79.05501	85.8
81.07062	100.0
83.08613	17.4
86.09682	12.1
91.05500	60.3
93.07043	99.6
95.04958	18.8
95.08621	72.9
97.06529	19.0
99.08142	26.2
105.07030	54.1
107.08590	38.4
109.06565	13.0
109.10155	38.0
113.05812	11.7
117.07031	23.9
119.08581	55.3
121.10135	32.9
125.09687	16.6
129.07028	15.6
131.08548	27.9
133.10141	36.6
135.11703	28.7
145.10147	15.9
147.11719	22.6
149.09734	11.7
157.10110	18.0
159.11671	21.7
173.13356	14.1
183.11615	14.4
184.07362	29.6
261.22180	12.8
293.21191	59.7
302.03964	14.8
335.25681	29.5
354.92914	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	680.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.9
55.01859	4.3
55.05521	32.5
57.03427	15.6
57.07076	7.4
59.04973	8.1
59.09838	4.1
59.72657	3.3
67.05505	100.0
68.05799	4.0
69.07073	26.7
69.17168	40.9
70.24513	4.3
71.04984	5.2
79.05499	63.7
81.03426	6.5
81.07060	86.4
83.04971	10.7
83.08619	15.0
85.06534	5.3
91.05475	43.4
93.07050	62.0
95.04984	6.9
95.08611	56.3
97.06548	6.1
97.10149	9.4
99.08069	5.0
105.07048	35.9
107.04964	5.9
107.08593	40.8
109.10163	37.4
117.07005	15.0
119.08570	34.3
121.06514	4.7
121.10153	17.1
123.11701	10.4
125.09651	5.3
129.07011	4.5
131.08566	27.4
133.06502	4.0
133.10133	27.4
135.08026	4.6
135.11711	13.5
137.09636	5.1
139.11169	4.8
143.08533	6.5
145.10135	14.0
147.11693	17.4
149.13258	11.8
157.10156	8.5
159.11668	14.0
161.13228	7.8
163.71576	4.0
173.13196	8.3
183.11742	4.5
184.07368	4.7
186.31183	4.2
189.09615	4.4
195.13919	5.1
227.12794	5.5
229.14249	23.8
241.19679	4.0
259.20432	9.1
261.22266	9.1
269.17514	22.0
275.20102	21.4
335.25830	65.1
349.23621	11.8
367.24570	4.8
407.88373	4.0
408.90970	4.2
489.35696	14.2
527.37061	16.3
529.38867	20.3
609.44812	11.6
627.45825	8.9
681.42755	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	680.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03504	1.2
53.03947	2.3
55.05509	12.3
57.03438	3.8
57.07066	3.7
61.02929	25.2
65.03925	2.2
67.05508	58.7
69.03445	3.1
69.07069	11.9
69.83797	1.5
70.10575	1.4
70.31650	4.4
71.05000	2.2
73.01537	1.5
73.02917	8.7
79.05496	39.3
81.03423	3.1
81.07060	74.0
83.04963	1.7
83.08619	5.8
85.02436	2.1
85.02914	28.4
85.06550	2.3
91.03965	21.7
91.05471	18.6
93.07050	50.3
95.04970	2.9
95.08614	67.3
97.02891	13.5
97.06519	4.3
97.10156	3.5
99.08081	3.0
100.79200	1.7
105.07027	19.4
107.08604	37.4
109.10168	34.5
111.08097	2.9
113.09638	1.9
115.03941	2.0
117.07018	5.9
119.08587	17.9
121.10159	30.8
123.08043	1.4
123.11716	16.3
125.09619	1.8
127.03915	7.5
131.08578	18.9
133.10147	13.4
135.11697	29.5
137.09612	2.7
137.13274	6.7
139.11188	1.7
145.04938	9.2
145.10120	20.6
147.11703	15.3
149.13266	23.8
151.11221	3.3
159.11705	19.5
161.13263	5.1
163.06035	17.9
163.14822	8.8
165.12790	2.9
173.13263	13.8
177.12683	1.9
183.65370	1.4
187.14816	6.0
196.00795	1.7
201.16321	1.9
219.21069	4.2
229.19530	46.5
247.20592	100.0
248.21028	3.1
249.22110	1.6
265.21658	4.8
321.24234	32.1
339.25314	41.5
339.29364	2.1
483.29517	4.7
644.38776	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.2
53.03939	0.6
71.50784	0.2
73.64216	0.2
76.15648	0.2
77.03925	0.3
79.01865	0.4
79.29513	0.2
91.05486	3.3
93.07049	4.2
95.04984	0.5
97.02897	0.3
99.56911	0.2
103.05472	2.6
105.04514	0.3
117.57046	0.2
119.04967	0.5
121.06511	100.0
122.06833	1.6
125.02324	0.4
138.09190	0.3
143.03429	0.7
146.93878	0.2
147.04367	1.0
153.01836	16.4
153.02875	0.9
154.02185	0.5
165.05481	6.3
167.07089	0.3
229.15358	0.2
273.07596	11.6
274.07974	0.5
290.10239	25.2
291.10635	0.7
291.54141	0.2
308.11331	1.0
324.10989	0.2
390.17865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.9
56.84100	4.3
57.03436	4.6
61.02924	22.9
67.05513	45.0
69.03416	3.6
69.07053	14.1
71.35784	7.4
72.82011	2.9
73.02904	10.6
79.05499	42.1
81.03391	7.4
81.07059	66.2
83.04948	3.7
83.08621	3.8
85.02905	37.5
87.00034	3.4
91.03967	27.0
91.05478	24.6
93.07048	46.4
95.04974	3.3
95.08615	48.4
97.02886	15.0
105.07019	23.6
107.08610	38.4
109.10163	36.0
117.07011	8.8
119.08594	16.8
121.10137	34.1
123.11691	17.0
125.09607	4.9
127.03890	3.3
131.08595	17.0
133.10152	20.8
135.11708	27.2
137.13268	7.4
145.04968	15.9
145.10130	23.3
147.11690	19.2
149.13290	30.5
159.11688	16.3
161.13278	5.1
163.06006	25.3
163.14810	11.4
173.13257	13.2
219.21008	5.5
229.19524	45.3
234.56293	3.4
247.20575	100.0
305.63153	3.5
321.24371	18.9
339.25339	49.9
375.69742	4.2
464.95938	4.8
500.96683	3.5
573.26160	3.4
680.45490	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	678.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47248	5.6
53.03946	7.3
55.01868	10.6
55.05514	45.0
56.66578	5.4
57.03428	22.9
57.07075	10.9
59.66805	5.1
64.08465	5.2
65.03915	6.3
65.71246	5.7
65.93665	5.8
67.05508	100.0
69.07069	46.2
70.06587	12.2
71.08630	35.9
71.52312	8.1
73.81120	5.1
79.05493	67.1
81.03422	12.7
81.07069	98.0
83.04983	9.4
83.08621	23.2
86.09714	16.0
91.05482	82.3
93.07050	87.3
95.04956	16.3
95.08612	70.7
97.06552	15.2
97.10193	10.5
99.08100	16.8
105.07029	55.1
107.04953	8.2
107.08608	43.7
109.10190	28.6
111.08105	6.6
116.07117	25.6
117.07014	21.1
119.08573	39.5
121.06523	14.0
121.10136	37.4
123.08146	6.4
123.11671	10.4
123.99792	6.0
129.07047	8.8
131.08571	17.9
133.10141	37.0
135.08054	6.6
135.11684	33.0
137.09602	8.5
139.97768	5.4
143.08597	10.6
145.10133	19.2
147.07993	5.8
147.11702	18.7
149.09651	7.4
149.13351	13.1
151.11241	7.7
157.10104	6.8
159.11691	13.2
161.13275	16.2
163.11139	9.4
165.12784	8.1
171.11749	10.8
176.27199	5.8
177.12680	10.3
179.14310	35.4
184.07353	37.0
185.13263	9.3
187.14751	7.9
259.20639	13.0
260.49069	6.1
275.19989	13.8
277.21692	33.9
293.21127	72.6
308.51175	6.3
333.24149	9.8
335.25760	13.1
351.25238	25.3
367.24985	26.7
400.32779	5.7
501.12625	5.9
545.38745	7.6
553.40839	5.9
557.29279	6.2
573.31036	6.1
609.44690	6.9
635.27844	6.1
643.45740	45.2
678.34015	37.3
678.45209	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
53.82366	3.6
55.01860	7.8
55.05516	27.4
55.49199	4.0
57.03419	9.8
57.07071	7.4
57.74588	3.7
59.04996	4.2
60.08159	4.9
65.03929	4.8
67.05508	74.3
68.80328	3.4
69.07072	30.0
71.04980	9.1
71.08636	8.2
74.71410	3.4
78.03696	3.7
79.05501	61.5
81.03434	7.5
81.07056	80.9
81.19696	3.3
83.04975	11.7
83.08610	9.6
85.06528	5.5
86.09708	28.4
91.05489	62.5
93.06480	6.0
93.07046	70.7
95.04951	16.4
95.08609	48.3
96.68490	3.4
97.06530	25.1
97.10155	6.6
97.80436	3.5
99.08079	9.4
102.28347	3.6
105.07035	46.8
107.04945	7.6
107.08618	42.3
109.06515	7.5
109.10138	25.2
111.08113	4.2
113.73006	3.8
115.07616	5.9
117.07013	18.1
119.08605	26.0
121.06509	4.7
121.10143	23.9
123.08060	6.7
123.11688	7.2
124.99989	18.3
125.09603	4.6
129.07030	4.7
131.08586	19.1
133.10149	40.0
135.07976	4.5
135.11691	12.9
143.08601	11.1
145.10101	15.2
147.11664	14.0
149.09567	5.7
149.13229	15.2
151.11180	13.4
155.08592	4.7
157.10117	6.0
159.11688	12.8
161.09637	4.0
161.13261	12.5
163.11217	6.2
163.14832	4.3
171.11642	7.8
173.13261	4.9
175.14809	7.2
177.12733	4.8
179.14267	8.0
184.07350	100.0
185.13234	7.2
187.14845	4.5
239.11728	3.9
253.14481	18.9
259.20508	11.7
261.22104	10.7
273.18570	10.5
275.20044	12.0
277.21567	8.3
291.19510	9.5
293.21014	14.6
332.17404	4.4
333.24237	15.4
335.25659	22.6
347.22018	4.0
349.23746	5.8
367.24756	9.9
529.38721	9.5
611.46295	12.7
625.44238	15.0
641.54712	3.7
643.45837	8.8
678.33636	4.5
678.47900	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	678.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90870	2.4
51.91023	2.5
53.03941	5.2
53.61189	2.6
55.01859	2.5
55.05285	2.3
55.05513	22.6
57.03431	5.5
57.07067	3.4
60.08158	5.4
67.05177	3.9
67.05509	46.8
69.07080	18.5
70.75975	5.2
70.76309	5.5
71.04960	4.0
79.05080	3.3
79.05502	44.4
81.03429	3.4
81.07066	55.4
83.05011	3.4
83.08611	9.7
85.06538	4.6
86.09296	2.9
86.09716	30.8
91.05486	50.7
93.07043	44.2
95.05002	3.7
95.08622	35.9
97.06516	6.0
97.10153	5.8
97.56422	3.2
98.98449	5.2
104.73180	2.9
105.07038	46.6
107.04939	3.4
107.08614	23.9
109.06504	4.5
109.10127	14.5
117.07051	16.5
119.07891	3.4
119.08588	28.6
121.10135	18.9
123.08057	3.1
123.11697	3.8
125.00016	21.6
125.09652	3.5
128.06238	4.2
129.06989	9.5
130.83270	2.5
131.08551	23.8
133.10117	24.8
135.08035	3.9
135.11678	12.0
141.06964	4.3
142.07710	3.3
143.08604	6.7
145.10123	19.3
147.11664	12.8
149.13242	8.6
155.08537	3.2
157.10124	12.2
159.11691	12.3
159.77162	2.7
160.17963	2.4
161.13301	7.8
163.11182	3.0
167.08551	3.6
169.10109	6.5
171.11699	7.9
173.13260	9.5
173.76666	2.6
175.11156	3.3
181.10173	4.4
183.11662	8.4
184.07349	100.0
184.08995	4.8
185.13286	6.8
187.14743	3.8
195.11739	5.3
197.13263	7.1
199.14908	4.7
209.13266	3.4
211.14713	4.1
223.14903	2.7
241.19447	5.0
259.20465	13.5
270.18585	2.6
275.19971	5.1
293.21210	3.9
297.22302	2.8
333.24036	6.5
335.25851	5.3
349.24094	5.2
351.25113	3.2
609.44580	7.8
678.46613	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	678.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.0
55.05514	45.9
57.03427	19.6
65.03913	6.7
67.05513	100.0
69.07078	39.3
69.30452	26.8
69.30875	27.9
71.08613	8.3
79.05496	70.5
81.03391	7.7
81.07056	81.9
82.07355	8.0
83.04969	14.1
83.08598	27.3
87.67570	5.9
91.05482	95.8
93.07044	84.3
95.04975	11.2
95.08609	56.7
97.06569	6.2
97.10141	7.1
105.07030	78.9
107.08598	44.3
109.06513	9.3
109.10142	25.0
115.05479	6.2
117.07020	41.6
119.08600	54.9
121.10160	38.5
123.11686	9.8
128.06247	7.6
129.06995	22.3
131.08548	43.5
133.10133	51.8
135.11661	21.9
141.07039	8.3
143.08521	19.7
145.10147	31.6
147.11665	23.6
149.09633	10.2
149.13193	7.3
155.08572	17.0
157.10109	21.1
159.11705	20.3
161.13289	16.1
169.10103	12.4
171.11661	11.9
173.13237	18.4
175.14748	12.2
181.10034	9.9
183.11723	10.6
185.13240	11.5
196.37807	6.7
197.13242	6.6
209.13219	6.9
211.14989	9.3
225.16281	10.1
241.19470	14.7
255.15576	6.6
257.18988	7.3
259.20581	22.0
275.20099	17.3
293.20981	6.3
296.66428	6.1
310.46167	5.9
333.24200	29.0
349.23914	12.9
475.98407	7.1
513.35706	13.0
607.43420	15.3
625.44641	7.4
678.46411	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	678.494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.1
55.05514	38.0
57.03443	15.3
61.14370	5.5
65.03939	5.2
67.05511	100.0
69.03432	8.8
69.07080	24.9
79.05495	89.2
81.03426	8.2
81.07060	95.1
83.04996	14.5
83.08620	20.9
86.09681	7.1
91.05485	91.6
93.07048	90.7
95.04961	15.5
95.08611	64.5
97.06535	15.2
97.10163	9.7
105.07037	72.8
107.08587	45.7
109.10178	20.5
109.77097	5.8
111.08078	8.1
115.76184	5.2
117.07027	23.5
119.08585	57.2
121.06503	6.4
121.10156	25.9
121.64412	6.1
121.66514	5.0
123.11738	12.7
125.09628	5.9
129.07008	19.7
131.08566	46.9
132.26193	5.5
133.10121	52.5
135.08009	5.2
135.11688	26.0
135.53970	5.2
143.08571	16.3
145.10150	32.4
147.11671	32.9
149.09662	10.1
149.13199	13.9
157.10143	19.0
159.11700	25.4
161.13277	17.7
163.11145	8.3
169.10144	10.2
171.11734	13.1
173.13246	17.4
175.14873	6.9
177.05482	12.0
183.11737	10.0
184.07379	18.4
185.13249	6.5
199.14833	8.7
209.13272	6.7
211.80705	5.1
229.51485	8.1
241.19432	17.2
255.15938	12.9
257.19067	7.1
259.20615	38.6
269.17352	7.3
275.20102	13.5
315.23126	7.3
328.21576	7.7
333.24243	27.9
349.23712	8.3
513.35931	9.4
527.37366	27.4
625.43829	10.3
633.45337	6.3
678.47101	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	678.494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	12.8
55.01878	7.5
55.05514	46.8
57.03421	18.0
57.07053	8.9
60.08139	5.1
60.98161	4.9
67.05180	7.0
67.05508	100.0
69.07072	38.8
69.25365	26.9
69.25787	19.2
71.04994	8.2
78.89812	5.4
79.05496	83.4
81.03428	8.5
81.07054	88.2
82.65088	5.1
83.04956	10.5
83.08614	21.3
85.02887	6.7
86.09707	21.8
86.38763	5.3
91.05479	88.7
93.07049	77.4
95.04964	12.8
95.08601	62.7
97.06528	10.7
97.10140	8.6
98.20634	8.9
99.08028	5.2
105.06382	9.6
105.07040	89.6
107.08610	46.5
109.06550	8.3
109.10150	19.0
111.08092	6.4
115.05440	6.2
117.07021	28.8
119.08585	58.1
121.10152	34.2
125.00009	12.5
129.06990	14.8
131.08562	38.1
133.10126	43.7
135.11705	30.7
142.07767	6.0
143.08546	21.6
145.10161	31.3
147.11696	29.9
149.09613	5.2
149.13252	14.2
151.11067	6.1
155.08548	13.5
157.10115	20.5
159.11740	28.6
161.13228	12.5
162.38058	6.0
169.10114	14.8
171.11687	16.3
173.13295	14.5
175.14828	8.2
181.09995	6.8
183.11694	12.0
184.07347	85.7
185.13258	15.4
187.14833	9.2
197.13203	13.5
199.14838	5.8
213.16331	5.6
221.73666	4.8
231.21146	6.4
241.19614	11.7
255.15828	7.3
259.20511	28.6
275.20078	12.3
315.23303	6.2
333.24173	20.2
349.23660	8.7
435.32672	7.1
513.35669	15.6
527.37640	24.3
607.43713	10.5
625.43805	9.8
678.46991	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	677.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.2
55.05508	18.3
57.03438	6.8
58.42640	2.4
61.02930	17.9
65.03939	3.5
66.92052	3.1
67.05508	98.1
69.03420	3.8
69.07081	18.2
69.29843	12.0
69.30265	10.9
71.04983	4.2
73.02915	11.8
75.04463	4.1
79.05067	4.3
79.05499	48.3
81.03413	3.0
81.07063	96.4
83.08627	12.5
85.02911	24.5
85.06540	4.6
87.08283	2.7
91.03951	22.1
91.05476	29.6
93.07048	66.4
95.05000	3.7
95.08612	77.7
97.02889	8.5
97.06549	2.8
97.10196	3.8
99.08084	4.7
103.03915	2.9
105.07053	23.1
107.08598	36.6
109.06518	5.7
109.10172	42.9
117.07035	14.8
119.08578	18.5
121.10154	38.2
123.11729	18.5
127.03947	12.4
131.08586	17.3
133.10121	19.7
135.11697	34.8
137.09572	3.5
137.13242	9.6
139.11092	3.6
142.25893	2.5
145.04974	7.1
145.10127	19.0
147.11702	13.1
149.13268	23.9
151.14777	3.5
159.11719	16.5
161.13292	13.5
163.05983	12.7
163.14813	16.4
165.12766	4.0
173.13321	14.3
177.16397	7.2
179.14417	3.9
187.14842	8.9
201.16393	3.2
214.92453	3.2
233.22661	3.1
243.21080	35.7
261.22153	100.0
279.23257	4.9
335.25790	30.5
353.26825	29.8
465.03525	2.9
497.31046	8.2
645.25867	2.6
677.34686	7.3
695.97144	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	677.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.05513	13.3
57.03436	5.2
57.07070	2.6
61.02927	31.5
65.03922	3.0
67.05506	84.9
69.03414	4.3
69.07072	12.9
69.25863	7.9
69.26286	5.5
70.13871	1.4
71.04993	3.2
73.02914	11.6
79.05494	50.8
81.03430	3.3
81.07058	79.0
83.05013	1.9
83.08641	7.2
85.02900	25.1
85.06551	4.0
87.83926	1.4
91.03955	25.0
91.05479	28.6
93.07047	61.3
93.07640	3.5
95.04964	5.0
95.08611	63.4
97.02888	13.1
97.06506	2.3
97.10163	4.7
99.04457	1.6
99.08066	2.8
105.04485	1.9
105.07025	20.0
107.04916	2.0
107.08594	43.4
108.08961	1.8
109.06514	2.9
109.09471	2.7
109.10161	35.5
110.41071	1.5
115.03937	1.8
117.07053	9.3
119.08586	18.1
121.09325	2.9
121.10147	38.5
121.11037	2.2
123.08044	2.0
123.11704	20.1
125.09621	2.1
127.03908	9.1
131.08575	23.5
133.10133	13.4
135.11693	30.0
137.09654	3.0
137.13268	8.6
145.04997	9.7
145.10127	16.6
147.11687	12.7
149.09549	1.7
149.13251	23.1
151.11232	2.5
151.14793	2.1
152.13443	1.5
153.12752	1.6
159.11714	17.1
161.13191	10.4
163.06021	17.3
163.14818	16.9
165.12730	2.0
168.91171	1.6
173.13261	17.7
175.14795	3.7
177.12769	1.8
177.16388	5.9
179.14304	2.7
187.14806	8.4
201.16411	3.4
205.15836	2.7
212.31009	1.5
215.17935	1.9
233.22639	3.5
243.21104	31.4
261.22147	100.0
262.22458	2.4
263.23724	1.8
279.23267	2.7
335.25842	12.8
353.26877	26.5
442.84842	1.8
496.01846	1.6
497.30432	2.1
617.21582	2.1
695.61725	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.0
52.32734	0.7
55.05507	1.1
66.12023	0.7
67.05476	0.8
69.03427	1.6
69.07077	0.9
70.06582	1.0
71.04979	1.5
71.51338	0.9
78.98708	0.6
79.01860	4.2
79.05479	1.7
81.03416	1.2
81.07045	2.8
84.04537	1.4
84.08102	0.7
91.05486	1.6
93.07082	1.3
95.04971	0.7
95.08595	1.4
97.02905	1.6
105.07047	1.0
107.01344	1.3
107.08607	1.6
109.02904	1.3
109.10191	1.1
119.08597	0.8
121.06548	0.9
121.10152	1.0
123.11739	0.9
125.02357	2.0
126.05489	1.5
127.03931	1.5
133.10159	0.7
137.05998	1.3
138.05508	0.6
139.03911	1.9
143.03407	5.4
145.02963	0.7
153.01845	100.0
153.02908	5.8
154.02222	1.0
171.02910	2.5
204.08717	1.8
233.04475	1.0
289.04132	0.9
297.06116	2.7
462.73141	0.7
467.08273	1.7
677.33069	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.8
55.01871	10.5
55.05515	23.7
57.03431	10.6
57.07078	7.7
65.03937	4.0
65.72124	3.1
66.59645	2.9
67.05510	100.0
69.03427	10.9
69.07073	26.8
71.04993	6.5
79.05064	5.5
79.05499	64.7
79.07148	3.1
80.05833	3.5
81.03434	18.2
81.07066	86.4
82.07387	4.2
83.04980	13.2
83.08621	14.3
85.06538	4.9
91.04905	5.1
91.05487	95.8
92.05840	3.9
93.07054	69.4
95.04985	20.4
95.08613	40.7
97.06561	6.8
97.10169	5.3
99.08081	3.6
105.07038	85.8
106.07399	3.0
107.04950	10.9
107.08604	45.0
109.06524	10.1
109.10168	36.6
111.08089	4.8
115.05472	3.4
117.07024	21.4
119.08597	48.9
121.06488	5.3
121.10167	19.4
123.08068	6.6
123.11733	9.3
125.09615	4.7
129.07005	14.3
131.08607	31.1
132.09064	3.4
133.06528	6.1
133.10130	77.0
135.08112	4.5
135.11697	14.1
136.06197	75.0
142.07738	4.3
143.08577	11.0
143.72467	3.0
145.10161	19.1
147.08250	3.2
147.11690	32.4
149.13257	9.9
151.11197	24.0
157.10158	10.0
159.11729	14.0
161.09628	7.6
161.13246	15.0
163.11227	5.1
169.10182	3.7
169.12292	4.3
171.11734	16.2
173.13228	8.1
175.14897	7.7
179.14258	4.7
185.13268	7.8
189.12799	4.3
195.11566	4.7
199.11281	3.5
199.14876	5.4
209.13205	3.4
231.21088	3.9
241.19566	9.9
245.19054	5.0
253.14355	58.0
255.62424	3.4
259.20596	30.9
267.15961	4.1
273.18527	14.2
275.20096	4.2
291.19629	12.3
315.23172	5.9
319.13223	3.3
333.24271	34.7
349.23538	5.0
351.25064	5.1
365.23322	13.6
455.31876	4.0
511.34021	5.8
529.35187	6.8
585.78839	3.4
623.42810	14.4
676.45270	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	676.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.7
55.01865	16.3
55.05516	32.9
57.03434	10.3
57.07092	7.7
58.16360	5.8
65.03948	6.3
67.05511	92.6
69.07063	29.8
69.85835	10.8
69.86243	21.5
70.06585	7.7
79.05500	62.4
81.03419	19.4
81.07056	82.7
83.04977	16.9
83.08613	20.1
85.06553	8.1
86.08050	5.4
91.05492	97.4
93.07050	71.4
95.04987	13.3
95.08608	56.9
97.02880	7.2
97.06522	10.0
97.10205	7.9
98.20866	7.4
105.07038	100.0
106.09677	5.1
106.46738	5.9
107.04971	10.6
107.08601	55.9
109.06535	12.5
109.10173	65.2
116.07096	14.3
117.07008	12.5
119.08584	38.8
121.06477	10.0
121.10139	27.3
123.63586	5.0
125.09591	6.5
128.62617	5.3
129.07013	15.8
131.08548	26.3
133.10130	79.0
135.11693	20.2
136.06168	42.4
143.08575	18.4
145.10120	19.6
147.11758	26.8
149.13264	6.4
151.11189	24.3
157.10173	10.9
159.11642	12.1
161.13263	12.6
163.11195	6.8
171.11751	7.0
173.13188	10.5
184.07346	10.5
185.13287	7.7
199.14917	8.3
207.54846	5.6
215.12756	6.9
229.14348	12.9
231.21013	8.2
241.19560	15.7
245.18915	6.8
253.14360	37.9
256.05908	5.0
259.20590	37.5
273.18420	6.7
275.20047	9.9
291.19485	16.5
325.27295	8.1
329.29852	5.2
333.24167	25.5
365.23178	18.7
392.89780	6.0
491.51355	6.5
511.34167	9.0
529.35052	7.6
610.61755	5.7
623.42981	20.7
632.45026	8.5
641.42920	9.2
676.46436	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	676.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.9
55.01883	5.2
55.05515	48.2
57.03437	14.1
57.07074	9.6
60.08146	4.1
65.73949	4.2
67.05507	61.5
69.03424	9.1
69.07072	36.5
74.58683	4.1
79.05500	57.6
81.03418	18.4
81.07067	51.0
83.04990	9.3
83.08613	15.6
85.06544	4.9
86.09714	8.5
90.75149	4.3
91.05482	66.1
93.07042	52.7
95.04967	20.0
95.08621	36.2
97.02921	12.4
97.06554	7.8
97.10159	22.5
101.01316	4.1
105.07033	64.1
107.04965	12.1
107.08597	33.7
109.06524	4.7
109.10126	9.5
115.05502	4.7
117.07024	20.0
119.08595	40.7
121.06516	5.8
121.10155	14.5
123.08090	5.8
123.11706	6.6
125.09615	14.0
129.07030	11.9
130.08635	6.5
131.08614	23.5
133.06502	6.1
133.10127	30.2
135.08112	5.4
135.11693	11.2
136.06198	96.0
143.08604	12.7
145.10143	17.8
147.08136	5.5
147.11682	28.6
149.09610	4.9
149.13297	7.6
157.10124	12.1
159.11726	18.3
161.13255	12.2
163.11282	5.2
171.11700	7.1
173.13272	5.8
175.14816	4.6
184.07390	36.6
185.13312	8.5
189.11275	9.8
199.14784	5.4
223.13300	17.8
227.12738	8.9
241.19604	13.9
257.18964	5.7
259.20590	26.3
262.21307	4.2
265.12143	5.5
273.18481	6.6
291.16522	8.4
291.19553	100.0
292.19812	4.8
292.33981	4.9
313.27524	4.7
315.23123	4.8
333.24307	29.4
349.23792	7.1
354.58673	4.3
365.23343	25.4
457.94424	4.9
505.38797	4.7
507.34619	5.2
543.36725	5.2
605.42303	4.9
623.43042	24.8
676.45984	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.9
56.05050	1.8
57.07069	2.5
59.04979	1.0
60.04530	1.8
61.02922	4.9
67.05516	6.7
69.03421	2.1
69.07067	6.2
69.38811	4.0
69.39217	2.4
70.06590	1.3
71.04973	1.2
73.02900	0.9
79.05493	4.9
81.03413	2.7
81.07059	14.6
82.07427	1.0
83.08617	3.0
84.04508	72.0
85.02897	2.7
91.03969	1.6
91.05464	4.9
93.07047	9.8
95.04980	2.0
95.08610	33.1
96.04507	4.1
97.02888	3.5
97.10157	1.6
98.06085	3.9
99.04497	1.0
105.07034	7.7
107.08605	10.2
109.02867	2.1
109.10152	9.7
114.22956	0.8
117.07033	1.7
119.06027	1.0
119.08587	15.0
120.08937	1.1
121.06491	1.7
121.10148	9.1
123.08073	1.0
123.11697	6.6
126.05524	86.8
127.03926	2.5
129.06981	1.5
131.08556	3.5
133.10127	4.4
134.10532	0.9
135.08078	1.0
135.11693	6.2
137.13277	8.1
138.05508	37.3
143.08562	2.4
144.06564	9.1
145.10074	4.6
147.07997	1.4
147.11694	4.6
148.12051	0.9
149.13277	6.2
157.10149	2.5
159.11717	3.8
161.13289	3.3
163.14851	2.1
168.06578	8.8
169.10237	0.9
171.11761	1.5
173.13261	3.3
175.11229	0.8
175.14838	3.2
177.16368	1.9
183.11732	1.1
185.13319	1.7
186.07639	11.7
187.14832	3.5
189.12697	1.3
189.16394	2.2
191.17960	3.7
197.13298	0.9
199.11258	0.9
199.14828	2.1
201.16368	3.5
203.14339	5.4
203.17909	4.2
204.08681	100.0
205.15996	1.9
205.19550	3.7
213.16425	1.8
215.18002	1.7
217.15840	1.8
217.19466	1.4
222.09743	9.3
229.15828	1.1
231.17455	1.5
231.21040	0.9
241.19633	1.2
242.19855	1.2
249.14882	1.2
253.19542	1.2
259.20587	2.4
260.20898	1.8
276.08817	1.1
334.24460	1.0
351.25287	2.4
352.25641	3.7
391.33472	1.4
409.34641	9.4
411.36179	2.4
437.34201	3.7
455.35275	3.0
460.27756	1.0
461.28845	1.7
479.29883	1.6
626.01099	0.9
704.75977	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.5
52.12551	1.2
53.03954	6.4
55.01875	13.2
55.05270	2.0
55.05515	28.4
57.03434	4.8
57.07075	2.2
59.05000	1.4
65.03931	4.9
67.05511	49.2
67.16495	1.3
69.03431	3.8
69.07072	18.8
71.04996	3.5
71.50438	1.6
79.05499	49.1
81.03426	7.6
81.07063	100.0
83.04993	13.3
83.08622	14.8
85.02924	3.7
85.06557	4.8
91.05486	31.6
93.07050	35.6
94.04165	1.7
95.04979	17.2
95.08619	25.5
95.09237	1.8
97.06541	10.1
97.10179	15.2
99.04475	3.2
99.08057	3.0
103.05444	3.1
105.04511	1.5
105.07038	30.5
107.04963	11.2
107.08612	22.9
109.02901	1.5
109.06522	17.1
109.10150	13.5
111.04459	11.7
111.08087	7.2
115.05486	1.8
115.50697	1.2
117.07037	10.5
119.08588	25.8
121.06510	5.8
121.10146	17.3
123.08092	20.1
123.11703	7.3
125.05993	1.4
125.09635	10.2
128.06223	2.3
129.06989	5.2
130.07837	1.3
131.08566	12.9
131.29825	1.3
132.08960	1.7
133.06502	3.1
133.10126	15.1
135.08073	6.4
135.11739	10.5
137.09610	5.4
139.11150	2.6
142.07779	2.1
143.08575	5.1
145.06462	2.3
145.10124	15.5
147.08060	5.8
147.11708	14.2
149.09621	10.8
149.13269	4.2
151.11179	3.0
153.09106	2.4
153.12746	3.8
155.08495	1.5
157.10182	6.3
159.11758	7.0
159.82460	1.5
161.09642	4.1
161.13286	4.1
163.11197	14.6
165.09123	3.3
165.12767	4.6
169.10239	1.9
169.50366	1.4
171.11708	2.4
173.09645	4.3
173.13266	3.4
175.11179	5.5
177.12753	1.3
181.12263	7.2
185.13284	1.8
189.11237	11.6
189.12784	2.4
191.10693	7.3
193.04893	2.0
193.12332	3.0
197.13277	2.2
205.12376	1.4
207.13879	1.4
209.11728	1.4
211.13245	1.9
223.13312	8.1
227.12753	8.5
227.17903	1.4
229.19524	2.2
239.17979	2.3
245.18925	1.3
247.20543	1.9
249.14903	2.2
255.17506	3.1
257.19012	3.4
273.18497	23.4
275.20093	32.1
290.18259	1.5
291.19577	39.2
293.21185	7.2
309.20493	3.7
338.16626	1.2
339.92896	1.4
347.22104	3.9
349.23712	12.4
365.23257	19.0
367.24637	9.7
383.24814	1.5
471.74908	1.5
513.36243	1.8
519.32916	1.3
621.41644	1.6
639.42511	7.5
657.43719	8.6
675.45294	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	675.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.6
55.05510	14.0
57.03431	9.9
61.02932	22.2
67.05228	3.2
67.05516	36.1
69.03431	5.3
69.07074	11.4
71.24480	5.6
73.02915	9.1
77.47560	2.8
79.05498	40.1
81.03409	5.0
81.07064	37.5
83.04993	4.6
83.08606	5.5
85.02896	19.5
91.03965	15.8
91.05063	2.9
91.05500	33.4
93.07055	42.6
95.04967	4.3
95.08608	28.8
97.02895	11.0
97.06512	3.9
97.10170	3.9
105.07041	34.8
107.08614	25.7
109.06525	3.7
109.10142	11.4
117.07018	11.4
119.08588	32.9
121.10155	21.5
126.05510	6.2
127.03942	5.3
128.06175	4.2
129.07005	11.3
131.08588	17.0
133.06448	3.6
133.10123	23.3
135.08018	4.6
135.11731	19.2
143.08551	11.3
145.04948	9.0
145.10147	19.7
147.11661	27.9
148.85789	3.2
149.09561	5.7
149.13260	11.2
151.07610	2.9
157.10135	5.8
159.11688	12.4
161.13268	21.5
171.11696	11.5
173.13304	5.8
175.11217	3.4
175.14836	14.3
183.11687	3.6
185.13240	8.0
188.53304	3.6
199.14851	5.4
204.08719	7.2
223.77243	3.2
241.19553	22.2
259.20605	48.5
277.21469	7.0
296.05661	4.6
333.24240	5.4
349.23947	4.5
351.25330	100.0
375.25189	4.5
405.26468	3.2
437.91827	3.5
441.26315	12.1
459.27567	4.8
477.28433	6.3
489.22751	3.3
495.29535	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	675.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
53.32901	3.8
55.05510	12.1
57.03434	8.1
58.74181	4.6
58.99496	3.6
59.24233	4.0
61.02935	27.5
61.03206	6.2
67.05502	34.7
69.03436	10.1
69.07071	17.5
69.38680	35.8
73.02923	7.7
79.05097	6.0
79.05489	31.7
81.03423	11.1
81.07057	41.5
83.04987	6.8
83.08617	8.2
84.04510	20.3
85.02921	27.5
85.06545	5.0
91.03970	21.0
91.05487	45.8
93.07059	48.4
95.04974	10.5
95.08602	32.2
97.02906	16.8
97.06522	6.7
97.10186	4.9
98.21546	7.7
105.07027	46.6
107.04958	6.5
107.08595	28.8
109.10162	13.0
117.07035	10.2
119.08583	36.3
121.10126	30.9
123.11746	4.8
125.09634	4.8
126.05545	29.3
127.03955	4.7
128.06192	3.7
129.06992	12.2
131.08591	18.6
133.10146	33.6
135.11696	18.3
138.05525	9.8
143.08563	16.9
144.06596	5.0
144.08853	4.1
145.04980	6.3
145.10146	20.0
147.08075	4.8
147.11710	36.4
149.13304	14.2
153.01959	4.8
155.08623	4.9
157.10179	12.6
159.11737	16.6
161.13310	26.6
163.06108	6.3
163.11234	7.2
171.11711	13.0
173.13292	9.8
175.14844	15.2
181.55180	4.0
183.11662	5.3
185.13287	10.2
187.14787	5.4
199.15010	5.1
204.08719	29.5
211.49144	3.9
241.19566	23.4
259.20593	54.2
351.25345	100.0
367.22791	6.4
441.26251	8.4
445.49698	5.3
459.27322	11.6
477.28720	6.6
478.28897	7.0
495.29257	9.4
665.20050	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	675.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04055	0.3
53.87799	0.3
57.71727	0.3
60.05610	0.3
66.44476	0.3
70.56045	0.7
77.36906	0.3
81.07085	0.5
92.49077	0.3
157.89005	0.3
180.35425	0.3
221.04555	0.5
358.04880	0.4
430.16437	0.4
445.18903	0.6
453.15790	0.6
454.16583	1.3
455.13620	1.0
456.14206	0.6
467.12891	0.8
467.18460	0.5
468.13977	2.1
469.14807	7.6
470.15717	1.7
471.16583	0.8
480.14136	0.6
481.14981	2.5
482.15933	10.3
483.16708	9.1
484.17337	1.6
485.18896	0.9
495.16528	3.9
496.17520	5.8
497.18298	36.2
498.18979	4.0
499.20117	0.7
500.17120	0.5
509.14624	0.4
510.19177	2.0
511.19864	4.2
512.20624	1.1
513.18005	0.4
515.19202	1.4
523.16913	0.7
524.17944	0.4
527.15283	0.6
528.16425	1.8
538.20917	0.5
540.20337	0.4
541.16699	0.5
542.17780	1.9
555.18689	4.1
556.19482	2.9
557.20221	2.7
569.20221	1.0
571.22156	0.8
573.24139	0.4
585.23566	0.7
616.21893	1.0
617.22198	0.8
627.19867	0.4
629.22412	0.5
630.23981	0.4
643.23950	6.3
644.24805	6.8
645.23724	1.6
657.25470	5.5
658.26007	0.6
660.24396	1.3
675.26666	100.0
676.26947	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	675.266
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05471	0.3
68.36028	0.3
69.23761	2.9
159.73549	0.3
195.07776	0.3
340.03683	0.3
399.14587	0.3
400.15344	0.3
413.16251	0.7
414.17056	0.4
415.18185	0.6
425.16309	0.5
426.17041	0.4
427.17953	0.5
428.19089	0.6
429.15781	1.0
430.16611	0.9
440.14194	0.5
441.19177	1.6
442.16599	0.3
443.17386	1.8
444.17902	1.0
445.18805	2.7
453.15631	0.5
454.16711	0.3
455.13046	0.7
455.18182	0.6
456.14038	1.0
457.15021	1.9
457.19974	0.7
467.13000	0.8
467.17508	1.3
468.14410	1.1
469.15094	1.7
469.19693	0.7
470.15341	1.5
471.16321	4.4
472.17447	1.6
480.14026	1.9
481.14767	3.0
482.15805	3.4
483.16730	4.3
484.17654	1.4
485.18472	4.1
486.18665	0.8
494.16342	0.5
495.16684	11.5
496.17374	5.1
497.18268	10.8
498.19162	1.7
499.19537	1.1
500.17062	1.1
502.18515	0.5
503.19061	0.4
509.18881	0.4
510.19067	0.5
511.19754	0.6
513.17865	1.3
515.18976	1.2
527.19397	1.0
528.16010	0.7
529.20691	1.1
530.21130	0.4
531.18396	0.4
542.18054	0.7
545.23303	0.5
555.18646	11.4
556.19617	1.0
557.20581	1.2
569.19922	0.6
573.23114	3.3
583.21790	1.3
585.23352	0.5
601.24237	0.4
616.22943	0.4
617.22540	3.4
627.21222	0.7
643.24011	4.0
644.24835	1.2
645.21985	2.6
657.25555	0.9
660.24359	5.0
675.26624	100.0
676.26776	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	675.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03941	0.4
55.01870	0.3
55.05501	0.7
64.26169	0.2
67.05497	1.0
69.03439	2.1
69.07062	0.8
69.90482	0.5
69.90877	0.5
74.28071	0.2
79.01856	4.1
79.05486	1.7
80.02163	0.3
80.60444	0.2
81.03415	1.4
81.07063	2.1
83.04974	0.6
83.08613	0.3
84.40468	0.2
85.02889	0.5
85.06499	0.2
91.05482	1.5
93.07050	1.1
95.04966	0.4
95.08598	0.9
97.02894	1.6
98.21533	0.2
103.05472	0.3
105.07056	2.0
107.01331	1.1
107.04978	1.6
107.08602	3.9
109.02895	2.2
109.06510	0.6
109.10151	1.3
117.70570	0.3
119.08571	0.7
121.06508	0.7
121.10159	2.4
122.07307	1.2
123.00732	0.3
123.08051	0.3
125.02357	2.1
125.50377	0.2
127.03934	1.9
131.08580	0.8
133.06534	0.3
133.10138	12.5
135.08049	1.3
135.11716	0.4
137.06067	0.6
137.09625	7.6
143.03404	4.4
143.08556	0.4
145.10098	0.5
147.11687	0.7
149.09607	1.0
149.13264	1.3
151.11140	0.2
153.01836	100.0
153.02870	4.9
154.02164	0.7
158.11002	0.2
159.04424	0.5
163.03943	0.3
163.14810	0.2
164.88612	0.2
165.09157	0.7
165.12753	0.8
171.02924	2.4
173.13254	1.1
177.05522	0.3
181.01363	0.4
191.14310	9.7
205.04926	0.5
207.06612	0.4
209.15379	2.4
217.04958	0.2
233.04521	0.8
237.03946	0.3
243.11292	0.3
261.03909	0.9
279.04938	0.6
287.10287	0.2
297.06052	4.1
303.13354	0.4
305.02960	0.2
315.07147	0.3
325.14496	0.3
325.18323	0.3
343.15140	0.5
449.07211	0.5
467.08350	2.6
474.16672	0.4
513.20972	0.2
522.58527	0.3
643.24097	0.8
654.59277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12422	0.6
55.05511	3.4
57.07077	61.1
59.05003	15.2
67.05512	3.6
69.03427	0.9
69.07054	2.0
70.08031	0.6
71.08633	60.1
73.06573	3.7
76.21967	0.6
79.05481	2.0
79.92819	0.6
81.03436	1.0
81.07056	3.6
83.04968	0.8
83.08637	1.5
85.10186	51.4
86.51279	0.7
87.04472	13.4
87.13546	0.6
89.06032	100.0
91.05476	3.2
91.07611	1.1
93.07025	1.8
95.04967	1.0
95.08623	1.8
97.10167	1.0
99.11734	5.3
103.07600	6.5
105.07037	2.1
107.07060	1.9
107.08578	0.9
109.06506	0.8
109.10149	0.9
117.07026	0.8
117.09152	2.8
119.08598	0.8
121.06539	0.7
121.10100	1.1
127.14945	0.7
130.08632	1.3
131.07047	5.5
131.08528	1.2
133.08606	73.3
134.09050	0.8
135.10240	0.8
141.16376	4.5
143.08569	1.2
145.10139	0.7
161.11725	1.3
175.09680	4.6
177.11223	27.8
184.07359	1.0
199.20538	4.3
219.12292	1.1
221.13806	5.1
229.85275	1.1
239.14938	1.1
243.23236	3.3
265.16846	1.5
271.58148	0.8
283.17484	1.5
291.19543	1.3
327.20197	1.3
353.21783	0.9
415.25491	1.4
459.28040	6.5
499.30936	1.1
657.47913	0.9
672.05969	0.8
674.50275	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	674.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01868	2.3
55.05511	8.1
56.05027	1.3
57.03440	4.3
57.07062	1.2
58.99579	1.7
61.02924	2.9
65.03942	2.0
67.05513	16.5
68.05022	1.1
69.03449	7.1
69.07072	7.1
70.03773	1.1
70.06584	1.1
70.99548	0.9
71.04986	2.6
72.00568	1.1
73.02900	1.5
74.00664	3.4
76.02229	2.3
77.03925	1.0
79.05500	17.6
79.05969	1.3
80.05025	2.8
81.03438	7.8
81.07067	38.8
82.03732	1.1
82.06595	1.0
82.07409	1.7
83.04982	4.3
83.06098	3.2
83.08647	6.6
84.04523	5.3
84.08174	1.4
85.01125	1.8
85.02904	5.9
85.06568	1.4
86.00665	1.2
91.03956	1.5
91.05493	17.6
93.07050	16.7
94.06581	1.3
94.07405	1.3
95.04971	4.5
95.08618	9.8
96.08959	1.1
97.01132	2.8
97.02917	5.7
97.06546	3.6
97.10175	2.6
98.03233	1.6
99.01421	4.0
99.02726	1.6
99.04479	1.6
99.05589	1.2
100.02208	7.2
101.02374	0.9
103.03910	1.1
103.05490	1.5
105.07040	12.8
106.06575	1.4
107.04960	4.3
107.08609	12.1
108.08104	2.0
109.02863	2.7
109.06538	8.1
109.10171	4.0
111.02650	2.6
111.04399	1.1
111.08101	1.3
112.02213	11.1
113.00636	1.2
113.02979	1.2
114.03758	9.8
115.05614	0.9
116.01697	2.7
117.07043	4.6
119.07277	1.0
119.08617	10.3
120.08128	2.1
121.06506	2.7
121.10156	6.7
122.10520	1.1
123.08099	2.5
123.11703	2.4
124.02228	0.9
125.04241	1.6
125.09637	1.2
126.03772	3.6
127.03919	3.7
129.06694	3.5
130.04997	1.5
131.08571	7.3
133.10150	7.9
134.09630	1.1
135.08072	2.7
135.11694	3.1
136.03966	1.5
137.04260	1.1
137.06100	1.1
138.03748	7.2
138.05493	1.2
139.03214	1.4
140.01669	1.1
140.05292	6.9
143.08565	2.1
145.06145	2.9
145.10136	6.7
147.11697	8.9
149.09619	2.8
149.13266	2.7
151.05756	1.1
152.05270	3.0
153.01840	2.4
154.06834	1.8
157.10132	1.4
159.11697	4.7
160.12036	1.1
161.09647	1.1
161.13257	1.8
163.11244	3.0
165.09122	1.4
165.12775	1.9
166.06836	2.9
168.08447	20.2
171.11784	1.4
173.04492	1.9
173.09666	1.4
173.13216	5.3
175.11377	1.2
178.05060	1.7
185.03859	5.1
187.05304	2.0
187.11250	1.3
189.12775	1.0
191.14355	2.6
193.12224	1.6
202.04103	1.2
216.05670	2.1
231.04376	7.6
233.05989	2.4
236.14714	2.5
247.20457	1.4
255.07954	3.8
264.14221	12.9
269.09753	1.7
269.17468	2.2
270.10315	6.5
270.17877	1.5
271.10989	1.2
275.20068	9.8
276.20361	1.9
282.15164	5.5
286.12686	1.1
308.09140	1.8
332.20364	1.1
337.08240	4.7
338.08582	4.9
338.17896	6.0
339.17389	1.8
349.23758	6.8
350.24222	3.6
355.09189	1.9
355.18188	4.2
356.09430	2.3
356.18924	20.3
360.19711	1.5
366.07883	1.4
378.20490	1.7
383.08713	3.4
384.09113	3.3
401.09897	2.4
402.10034	3.4
407.22989	1.3
413.21832	1.2
414.22406	1.8
424.25162	10.9
434.23776	1.4
435.23401	2.0
440.19684	1.2
453.24481	1.4
458.20862	11.7
459.21420	1.5
477.28415	2.1
479.25839	1.3
497.33649	1.1
507.25357	1.4
509.26904	10.5
527.27942	100.0
528.28265	3.3
569.23828	1.1
581.28979	9.7
582.28424	3.2
599.29987	11.1
638.31427	6.3
642.22797	4.7
656.32007	4.2
674.33081	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	673.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.4
55.01876	13.8
55.05514	30.4
57.03429	8.1
65.03941	3.7
67.05508	44.0
68.02895	1.3
69.03420	6.1
69.06726	1.6
69.07072	18.6
70.06592	4.3
70.45724	2.2
70.46124	2.4
71.04981	4.9
79.05499	50.4
81.03425	13.1
81.07063	100.0
83.04991	20.1
83.08626	19.9
85.02905	4.5
85.06544	3.3
88.07629	3.1
91.05487	33.5
93.06487	2.1
93.07053	33.8
94.04148	1.4
95.04978	21.8
95.08614	19.0
97.02871	2.1
97.06521	11.2
97.10175	22.7
99.04448	4.0
99.08077	2.3
102.09242	2.1
105.04528	1.2
105.07037	28.3
107.04967	11.9
107.08611	25.2
109.06541	11.5
109.10166	10.7
111.04452	21.8
111.08080	9.8
115.05471	2.7
117.07031	16.7
119.08593	29.1
121.06524	11.2
121.10165	14.0
123.04432	1.2
123.08073	30.8
123.11756	2.2
125.09649	18.7
127.07589	1.4
128.06210	3.4
129.07034	10.0
130.07745	1.8
131.05011	1.7
131.08580	17.8
133.06499	7.6
133.10138	10.9
135.08076	8.8
135.11717	13.0
137.09621	6.3
139.07555	1.5
141.06978	3.0
142.07753	1.7
143.08557	9.6
145.06496	4.8
145.10118	18.7
147.08035	13.9
147.11688	8.2
149.02361	9.4
149.09631	11.5
149.13269	2.5
153.09137	3.9
153.12756	9.7
155.08540	3.6
157.10109	8.1
159.08031	3.2
159.11705	7.2
161.09613	13.3
163.11168	19.8
165.09126	6.0
165.12857	1.7
169.10114	2.5
171.10278	2.5
171.11710	5.2
173.09644	5.9
173.13217	3.1
175.11191	5.3
177.09177	1.3
177.12796	3.3
181.12234	11.6
183.11673	2.3
185.09723	2.1
185.13284	2.6
187.11169	3.2
187.14841	1.5
189.11247	15.9
189.12762	1.8
191.10730	7.3
193.05020	3.9
193.12212	6.5
197.13164	1.7
199.14815	1.4
201.12798	1.9
205.12267	2.2
209.11670	2.1
221.15306	1.5
223.13278	9.0
227.12747	17.6
227.17978	2.6
228.23270	9.8
245.13612	1.5
245.19060	5.8
245.73169	1.3
249.14909	2.9
255.17467	5.1
267.15955	1.7
271.16864	1.3
273.18527	60.5
274.18564	1.4
275.20010	2.4
283.15384	3.1
289.17963	2.4
291.19559	78.7
309.20673	4.0
329.21106	4.0
347.22235	17.1
365.23279	29.6
383.24512	2.2
403.10510	1.7
429.11694	2.4
431.29044	1.7
473.14523	1.8
493.57397	1.3
503.72009	1.4
521.32172	1.3
557.34747	2.0
563.37524	2.8
581.37891	1.8
619.39459	1.3
637.40802	6.2
655.42194	18.3
673.43121	17.7
674.35272	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	673.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54207	2.1
52.41094	2.4
53.03941	10.9
55.01868	10.0
55.05509	25.0
57.03432	8.9
57.07064	8.7
57.52687	2.4
59.04993	4.2
65.03939	6.9
66.27031	2.2
67.05505	94.8
69.03429	38.3
69.07067	28.1
69.22745	3.5
69.23078	24.9
71.04984	6.6
71.08633	4.3
73.02907	2.6
77.03912	2.4
79.05498	77.3
79.16605	2.2
81.03423	31.2
81.07059	100.0
83.04977	14.9
83.08619	20.2
85.02908	4.5
85.06543	3.3
91.05487	66.5
93.07046	84.8
95.04971	17.9
95.08062	4.1
95.08611	46.9
97.02894	7.8
97.06520	7.3
97.10158	3.9
98.21519	5.5
99.04427	3.1
99.08089	5.1
103.05386	2.6
105.07035	48.6
107.04966	10.6
107.08598	42.1
109.02885	8.7
109.06522	10.2
109.10167	18.5
111.04429	4.5
111.08092	6.7
113.09698	3.2
115.05423	4.8
117.07034	28.6
119.08586	35.5
121.06499	6.8
121.10152	26.6
123.04440	4.9
123.08079	5.5
123.11723	6.3
125.09610	4.1
125.80736	2.5
127.03925	3.7
128.06213	2.4
128.62978	2.8
129.07027	17.3
131.08553	31.6
133.06470	4.0
133.10127	24.0
135.08049	8.0
135.11693	16.8
137.09578	2.8
137.13216	2.2
141.07010	7.4
142.07840	2.8
143.08600	12.2
144.09346	2.7
145.06532	5.1
145.10104	21.5
147.08034	5.6
147.11707	19.3
149.09622	5.0
149.13269	16.3
155.08636	5.9
157.10156	10.9
159.08014	4.4
159.11658	18.9
161.09692	5.1
161.13255	6.9
163.11108	3.6
165.09082	3.2
165.12764	3.3
167.08690	2.6
169.10092	6.8
171.11739	9.7
173.09628	3.4
173.13235	7.4
175.11180	5.8
177.12767	7.2
181.10194	3.6
183.11703	6.0
185.13292	3.9
187.14920	3.4
193.10243	3.1
195.11774	3.4
195.13821	11.8
197.13232	3.2
199.11214	2.9
199.14848	4.4
201.12839	2.9
203.14348	2.9
213.14774	4.7
225.13721	2.4
238.14520	3.0
259.20825	2.9
267.15842	3.1
269.17508	15.0
275.20175	5.3
277.21600	3.5
285.21863	4.2
291.19882	3.4
291.23218	3.2
301.21576	5.0
315.23166	4.1
327.22906	2.5
329.24680	2.7
335.25851	3.8
339.18204	3.8
350.18304	3.2
351.23096	5.7
359.26019	2.5
369.24442	9.4
387.25314	6.9
395.20679	5.6
423.21939	3.5
443.28110	6.1
448.18631	3.2
461.28973	8.2
480.22025	4.9
525.29108	3.3
529.38824	4.3
569.27344	5.0
594.24182	7.2
595.25159	22.3
601.30054	4.3
605.23639	4.0
609.27277	12.2
611.28638	6.6
612.25732	3.7
629.29712	28.5
637.26636	4.1
637.40918	7.6
655.28143	3.3
655.41748	9.1
673.28717	15.5
673.42706	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.4
53.90600	2.5
54.24576	2.3
55.01859	5.7
55.05515	22.8
56.14917	2.6
57.03431	10.9
57.07064	2.8
65.03938	8.1
66.27849	1.9
67.05506	81.9
69.03091	3.2
69.03435	42.3
69.07071	24.1
69.95748	2.0
71.04993	5.3
79.05020	2.2
79.05491	63.2
81.03410	31.1
81.06586	5.5
81.07059	100.0
83.04978	10.2
83.08617	19.8
85.02895	4.0
85.06549	5.6
91.05486	69.2
93.07043	81.5
95.04968	22.0
95.08602	46.7
97.02901	7.9
97.06530	10.5
97.10146	2.5
98.21615	5.5
99.04464	3.9
99.08057	2.5
101.39057	2.6
103.05479	2.6
105.07038	45.3
107.04964	7.5
107.08590	40.6
109.02870	4.8
109.06516	9.8
109.10146	15.6
111.04453	6.6
111.08074	6.2
115.05453	3.1
117.07009	29.0
119.04963	3.2
119.08586	28.7
121.06487	5.2
121.10151	28.6
123.08083	5.3
123.11713	12.1
127.03906	2.7
128.06253	4.8
129.07001	11.3
131.08575	32.8
133.06497	4.7
133.10144	35.5
135.08086	5.7
135.11687	16.4
137.09557	4.3
141.06972	4.2
143.08577	13.6
145.06552	7.1
145.10114	19.0
147.08057	6.3
147.11681	15.8
149.09593	4.5
149.13258	19.5
151.07455	2.9
151.11209	4.1
155.08539	4.3
157.06487	2.9
157.10164	11.3
159.11691	18.6
161.09645	2.2
161.13293	7.5
163.11182	3.2
163.14726	4.0
165.12753	3.0
167.08534	3.3
169.10068	4.2
171.08025	3.4
171.11697	10.0
173.13319	6.8
175.11269	4.6
177.12762	7.6
181.10124	3.8
183.11737	6.5
185.13292	6.6
187.11198	3.1
187.14850	2.6
189.12735	4.8
193.12363	2.6
195.13826	15.3
197.13280	4.7
199.14781	3.6
201.12627	2.6
209.13310	3.2
215.14281	3.4
233.15173	3.1
239.14301	3.0
247.16917	2.8
249.14830	3.6
259.20471	2.6
261.21948	2.7
267.15686	2.5
269.17499	22.8
271.20752	2.3
275.16635	2.7
277.21667	3.4
288.55313	2.5
289.21716	3.3
301.21609	13.4
321.16766	2.4
327.23108	4.2
331.22760	2.5
335.25906	2.4
339.18387	2.5
345.24203	3.0
351.23135	9.1
357.24081	4.4
369.24213	16.5
387.25293	7.2
393.26181	3.4
395.20908	4.3
443.27695	6.5
461.28979	8.1
465.34753	2.5
586.33997	3.0
637.40680	9.2
655.42065	10.2
673.43164	50.9
682.71667	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.1
53.67300	1.5
55.01863	5.6
55.05513	23.3
57.03441	8.2
57.07084	2.5
57.25348	1.5
65.03940	7.6
67.05508	86.6
69.03432	33.4
69.07074	23.7
69.37475	8.1
69.37894	5.3
71.04986	7.5
71.08631	1.6
73.02927	2.1
73.06537	1.6
77.03941	3.1
79.05496	66.5
79.91331	1.5
81.03424	34.2
81.07059	100.0
83.04996	9.3
83.08624	16.3
85.02898	6.3
85.06538	5.3
91.05482	66.4
93.07045	77.9
95.04967	14.3
95.08609	41.2
97.02894	6.2
97.06529	9.1
97.10194	3.0
99.04482	5.3
99.08088	3.9
103.05457	2.5
105.04530	3.4
105.07038	42.9
107.04949	7.2
107.08599	45.4
108.20632	1.7
109.02886	7.6
109.06502	8.9
109.10156	16.1
111.04440	6.2
111.08087	5.2
115.05462	4.1
116.06232	1.6
117.07043	23.1
119.08591	26.5
121.06516	6.3
121.10146	24.8
123.08072	5.3
123.11721	7.6
125.05977	1.6
125.09596	2.8
127.03918	3.6
128.06242	3.7
129.05534	2.0
129.07021	13.2
131.08568	33.9
133.06480	5.3
133.10129	27.6
135.08075	5.5
135.11705	19.6
137.09615	3.4
137.13243	2.0
139.11177	1.6
141.06967	3.7
143.08574	15.4
145.06497	4.7
145.10117	18.5
147.08009	4.1
147.11691	15.4
149.05988	2.7
149.09721	3.7
149.13292	17.7
151.20178	1.6
153.07008	2.3
155.08572	6.3
156.09221	1.9
157.06491	2.5
157.10155	9.5
159.08076	4.8
159.11694	20.8
161.09584	3.6
161.13280	6.8
163.07570	2.4
163.11224	2.9
163.14833	2.4
165.12794	3.3
167.08527	2.3
169.10152	5.0
171.08130	3.0
171.11644	9.3
173.09666	2.3
173.13228	9.5
175.11150	4.7
175.14813	2.5
177.12741	4.2
181.10133	2.5
183.11696	5.0
185.09607	2.4
185.13252	5.3
187.11243	3.2
187.14842	3.2
189.12845	2.6
195.13818	13.2
197.13237	5.2
199.14841	3.8
201.12697	2.6
209.13242	2.7
211.14702	2.0
213.12805	3.5
213.14752	3.9
223.14911	2.6
231.13760	2.3
233.15359	2.7
239.14445	2.2
259.20618	3.6
261.14792	1.9
261.22119	3.6
269.17459	19.7
277.21591	3.7
283.20517	1.9
287.20078	2.0
299.23514	2.2
301.21594	7.3
303.22925	2.3
313.21494	2.6
315.23270	1.9
319.22641	2.5
321.16989	2.7
327.23013	2.1
335.25845	4.9
339.18100	6.0
341.24777	4.1
343.22772	2.2
345.24136	2.5
351.23160	6.5
353.24792	2.1
369.24219	12.7
377.19156	2.1
387.25201	5.5
395.20520	4.3
405.26398	2.5
443.27948	3.3
461.29089	8.5
529.38696	5.7
544.72748	2.1
637.40900	6.8
655.42145	9.8
673.31189	4.4
673.42914	45.6
674.43469	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	673.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.1
53.03947	11.1
55.01868	8.0
55.05512	27.1
57.03440	9.0
57.07070	2.8
58.10465	1.6
62.76381	1.5
65.03942	4.9
67.05510	82.2
69.03436	39.3
69.07066	22.6
71.04996	6.5
77.03934	2.0
79.05494	68.7
81.03423	32.1
81.07060	100.0
83.04989	13.0
83.08626	18.1
85.02905	7.0
85.06551	5.4
86.32082	1.9
90.48071	1.7
91.04899	3.2
91.05484	68.3
93.07046	79.5
94.07369	2.2
95.01382	2.2
95.04976	16.7
95.08613	56.5
97.02905	6.4
97.06539	9.4
97.10152	5.1
98.21524	4.2
99.04458	4.8
99.08076	2.5
103.05471	3.9
105.04501	3.0
105.07035	46.1
107.04963	7.3
107.08601	41.7
109.02859	4.4
109.06532	8.5
109.10177	16.1
111.04440	5.9
111.08079	6.2
113.09541	2.1
115.05399	4.2
117.07026	23.7
119.04977	2.2
119.08578	28.8
121.06503	8.0
121.10144	25.4
123.08061	5.2
123.11711	6.5
125.09688	2.7
127.03922	2.6
128.06267	3.2
129.07025	15.3
131.04938	2.7
131.07721	2.6
131.08594	26.6
133.06488	4.8
133.10129	24.5
135.08072	6.3
135.11694	20.1
137.05952	2.8
137.09659	4.2
137.13245	2.0
141.06973	5.2
143.08527	11.2
145.06502	5.4
145.10135	19.0
147.08073	5.3
147.11687	17.9
149.09647	4.7
149.13254	19.2
150.13573	2.0
151.11174	2.8
153.06972	2.1
155.08557	5.7
157.06497	1.9
157.10120	10.4
159.08084	4.8
159.11682	16.2
161.09644	3.3
161.13292	7.5
163.11176	5.0
163.14856	2.3
165.12738	3.5
167.08501	2.1
169.10115	3.4
171.07965	2.8
171.11662	13.9
173.09665	5.2
173.13289	7.8
175.11165	3.8
177.12784	5.8
183.08063	2.1
183.11703	5.0
185.09575	2.9
185.13271	6.0
187.11218	3.3
187.14787	4.8
189.12759	3.1
195.11772	2.6
195.13834	9.3
197.13301	4.3
199.11234	2.5
199.14893	3.8
209.13452	1.9
213.12778	2.5
213.14763	2.6
219.13708	2.9
221.13292	2.1
221.15326	2.7
223.14899	2.2
225.12563	2.4
251.16339	2.2
259.20544	3.7
261.22095	2.5
269.17459	14.8
273.18469	1.9
275.20059	6.0
277.21768	2.7
291.19510	2.8
297.22195	2.6
301.21594	5.4
303.23059	3.5
319.22855	2.6
321.17007	4.7
327.23315	2.4
331.22842	2.4
335.25937	3.1
339.18106	4.4
345.24228	2.6
351.23178	5.4
369.24231	9.2
375.25150	2.6
387.25266	4.3
395.20761	4.1
436.21561	1.9
443.28119	3.8
461.29050	7.5
529.39264	2.4
637.41064	9.3
655.42218	11.0
673.43188	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	673.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	15.6
55.01888	15.7
55.05515	36.9
57.03439	35.6
57.07074	3.6
61.02644	4.0
61.02927	36.7
62.42292	3.4
62.49552	2.7
65.03934	6.9
65.47655	3.3
67.05180	6.0
67.05508	68.0
69.03431	69.2
69.06764	3.6
69.07070	31.7
71.01344	5.9
71.05004	17.5
71.51946	4.2
73.02915	20.7
79.05069	5.7
79.05501	73.1
81.02992	5.2
81.03425	74.9
81.07061	96.9
83.04623	2.9
83.04992	28.4
83.08629	22.4
85.02909	68.6
85.06531	4.3
87.04443	5.1
90.06158	3.6
91.03975	22.3
91.05482	68.9
93.07053	61.2
95.04984	18.4
95.08617	39.3
97.02896	87.6
97.06556	22.1
97.10160	11.2
99.04460	17.8
99.08092	9.7
101.02393	15.8
103.03951	8.8
105.07043	54.4
107.04955	17.2
107.08582	37.2
109.02886	26.7
109.06545	16.6
109.10164	22.3
111.04455	11.9
111.08053	7.7
113.09713	3.6
115.03918	8.3
115.05459	7.6
117.07031	32.2
119.08585	38.6
121.06497	14.6
121.10160	28.2
123.08051	6.8
123.11690	7.6
125.09642	10.0
127.03928	46.1
129.05467	13.7
129.06984	11.5
131.08591	30.6
133.06506	6.2
133.10149	43.1
135.08073	8.4
135.11710	19.4
137.09618	6.7
139.03893	3.9
139.48961	3.5
141.07079	3.6
143.08536	10.5
145.04953	11.3
145.06517	6.2
145.10153	28.2
147.08011	6.1
147.11700	20.7
149.05963	3.4
149.09666	17.4
149.13243	19.9
151.11060	4.3
155.08554	8.1
157.10109	12.3
159.11690	25.3
161.09631	5.9
161.13342	8.3
163.11183	8.0
169.10133	5.0
171.11684	11.8
173.04474	15.0
173.05829	4.0
173.09659	3.9
173.13264	12.2
175.11215	7.4
177.12837	6.6
179.14326	4.2
183.06523	14.0
183.11720	5.9
187.11220	5.0
189.09264	3.4
189.11183	4.8
195.12161	3.6
195.13832	20.0
197.13300	5.0
201.07603	5.0
213.14864	4.9
217.15854	4.9
223.27240	3.3
229.19473	6.3
231.13837	4.7
239.17926	11.0
247.20587	8.4
257.19012	22.8
261.14987	3.3
269.17508	45.7
275.16937	6.5
275.20071	93.9
283.16815	3.5
291.19492	7.4
293.21072	9.4
297.16913	4.2
303.15863	7.0
311.18549	4.7
331.22635	4.5
349.23776	100.0
367.24609	9.7
377.19427	8.2
391.24579	5.6
395.20676	12.8
400.54001	3.5
413.21887	24.9
419.24243	7.0
439.24783	5.1
457.25797	7.3
475.26639	6.2
493.28036	18.5
511.29007	21.8
673.34045	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	673.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01870	1.9
55.05510	3.4
57.03438	2.9
61.02926	3.2
65.03956	2.8
67.05511	9.5
69.03425	6.6
69.07059	3.8
69.63751	7.0
70.36532	1.0
71.04989	1.6
73.02914	1.8
79.05495	7.0
80.29581	1.1
80.70425	1.0
81.03422	8.7
81.07063	9.8
83.04965	4.0
83.08635	2.6
84.08150	1.4
85.02900	7.3
91.03973	1.9
91.05474	7.4
92.05000	1.2
93.07053	8.7
94.06569	2.4
95.04939	2.0
95.08606	5.1
97.02883	7.9
97.06537	2.8
98.21455	2.2
99.04448	2.0
101.02351	1.7
103.03896	1.2
105.07039	6.2
107.04976	2.1
107.08570	4.5
107.96296	1.2
109.02888	2.3
109.06549	1.3
109.10118	2.7
111.04485	1.5
117.06988	2.1
119.08604	4.8
121.06553	2.0
121.10166	2.3
122.06068	1.4
123.08080	2.3
127.03909	2.6
129.05495	1.3
129.07022	2.0
130.02879	1.6
131.08566	1.9
133.10106	3.5
135.11731	2.9
136.07658	2.4
137.05980	2.3
137.09601	1.7
138.05521	11.5
138.09129	2.5
139.03899	2.4
141.06812	1.2
143.08563	1.7
145.04971	1.7
145.10135	2.2
147.11716	3.0
150.05495	1.5
153.01851	4.7
157.10155	2.3
159.11700	2.5
160.03940	8.9
161.13225	1.4
166.04997	5.3
167.07272	1.1
171.11659	1.3
173.04494	2.7
173.13211	1.4
177.12816	1.5
178.05029	5.3
183.06529	1.9
183.09123	1.8
186.12837	1.5
187.11243	1.3
195.13844	1.9
196.06329	3.2
204.02899	7.0
207.09158	1.7
210.07809	1.9
211.08546	1.3
212.10852	1.5
214.12273	1.7
221.07158	3.8
222.03935	7.5
222.07928	1.9
223.08629	5.1
224.05797	2.7
225.10223	1.3
227.08038	1.5
229.09734	1.5
229.13295	1.1
230.11809	2.4
235.08713	5.3
236.05518	5.3
236.09380	2.2
237.06552	5.6
237.10234	3.6
238.07309	3.1
239.08173	3.5
239.11841	2.7
240.05116	1.6
241.09564	1.7
243.11275	2.0
249.06551	2.6
250.07278	2.1
251.08185	4.7
253.06024	1.7
253.09837	2.2
255.11200	1.4
257.09366	1.4
257.12912	6.5
259.14465	6.9
263.08176	5.0
264.05273	4.5
264.08969	5.1
265.09677	4.6
266.06909	3.6
266.10461	3.3
267.07672	5.0
267.11383	3.1
269.09229	3.0
269.17535	3.8
271.10754	2.1
272.08066	1.6
272.11545	7.4
275.20071	4.8
277.06076	4.3
279.07645	9.1
283.07196	2.7
283.10699	2.9
285.12320	14.8
291.07675	12.2
292.04739	6.7
292.08203	2.5
293.09164	2.9
295.07120	4.5
295.10373	1.6
297.08670	5.8
301.11887	6.7
303.13416	8.0
305.05624	10.3
309.08743	2.8
310.05881	3.8
310.09528	6.3
311.10269	18.3
315.09836	1.8
319.07114	3.7
321.08636	2.9
323.06662	7.5
324.06940	1.3
337.08197	100.0
338.08542	1.9
339.05939	1.8
339.09814	23.1
339.18057	1.7
340.06857	1.3
341.07776	1.7
342.08347	2.0
347.06558	6.2
349.23859	6.2
353.00369	1.3
355.09241	54.5
356.09174	1.3
357.10776	10.8
365.07782	19.3
383.08765	85.3
384.09302	2.4
401.09830	69.6
413.17001	1.4
413.21838	3.1
420.19141	4.3
429.05258	1.0
430.11771	1.2
438.20303	6.4
476.14505	1.4
517.56287	1.1
595.21594	6.2
597.23523	10.5
623.21576	18.7
624.21619	1.2
627.24725	1.4
641.22430	54.1
642.22705	3.1
655.24469	5.9
673.24701	3.7
673.35236	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	672.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20977	2.2
55.05521	13.1
57.03421	9.7
57.07077	30.8
57.13126	2.2
67.05511	37.9
69.07075	16.6
71.04978	9.2
71.08635	19.4
71.51991	3.0
74.02876	2.4
79.05501	19.4
81.07056	33.4
83.08625	15.7
85.10188	13.1
89.06020	9.6
91.05481	15.5
93.07056	15.4
95.08138	2.3
95.08617	22.6
97.06504	7.6
97.10172	8.3
102.35317	2.4
105.07018	10.9
107.08604	18.1
109.06531	4.5
109.10153	18.7
111.08068	5.5
117.07027	5.8
119.08579	10.2
121.10124	8.1
125.09633	3.0
125.77266	2.6
131.08551	5.8
133.08578	6.4
133.10117	8.2
145.10118	5.0
147.11649	3.1
149.13350	5.4
159.11687	3.6
189.11246	4.4
227.12785	9.0
229.14374	19.0
239.23834	3.0
257.19119	4.6
275.20020	15.6
291.94772	2.5
313.27423	34.9
328.75882	3.1
349.23819	11.3
467.37451	14.8
507.40439	100.0
587.46515	9.8
619.49048	6.0
639.11475	2.9
672.49036	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01873	1.5
55.05506	3.9
57.03439	3.0
61.02918	2.0
65.03942	1.9
67.05505	8.5
67.33262	1.1
69.03431	5.1
69.07069	3.1
69.64513	7.2
70.06583	1.6
71.05000	2.1
73.02912	1.8
73.96836	1.1
79.05482	5.9
80.31113	0.9
81.03425	8.3
81.07054	11.5
83.04973	4.4
83.08627	2.2
85.02907	4.9
85.06551	1.7
86.09757	1.3
91.03963	1.2
91.05466	7.1
92.05001	1.6
92.05750	1.0
93.07040	7.7
94.06577	3.2
95.04951	2.9
95.08618	5.4
96.36221	1.1
97.02899	7.1
97.06551	3.0
98.20763	2.0
99.04425	2.3
99.46687	1.0
101.02406	1.2
105.07015	5.8
107.04910	1.5
107.08611	3.2
108.04475	1.3
109.02860	2.9
109.06527	2.7
109.10149	2.3
111.04492	1.3
117.07024	2.6
119.08614	5.2
121.06518	2.6
121.10125	2.6
122.06074	1.5
123.08059	1.9
123.11667	1.2
127.03907	3.6
129.07022	1.8
130.02983	1.3
131.08578	3.2
132.04433	1.9
133.06473	1.0
133.10129	3.6
134.05978	1.5
135.08006	1.1
135.11678	2.4
136.06557	1.2
136.07587	3.3
138.05505	10.1
138.09120	2.0
139.03920	2.5
145.10149	2.8
147.08073	1.1
147.11650	1.4
149.13275	2.4
151.07645	1.0
153.01825	5.9
157.10152	2.1
159.11696	2.6
160.03964	9.2
163.11174	1.8
165.12793	1.2
166.05051	4.0
173.04492	2.4
177.12791	1.7
178.04984	4.7
184.10081	1.2
192.06847	1.8
195.13838	1.3
196.06346	3.1
196.09967	2.1
204.02898	7.6
207.09123	2.3
208.06223	1.4
209.07123	2.3
211.08698	2.3
214.12321	1.8
221.07072	3.5
222.04010	4.6
222.07881	1.1
223.08707	4.8
224.09338	1.2
225.10265	3.2
228.08917	1.6
229.13374	1.8
235.08719	3.7
236.05472	6.5
236.09341	1.3
237.06647	4.1
237.10236	4.0
238.07350	2.3
239.08215	4.4
241.09850	1.7
243.11469	2.6
249.06580	3.0
250.07341	1.9
251.08229	6.2
253.09781	2.6
254.10722	1.2
255.11267	1.2
257.12805	6.0
259.14493	4.9
263.08188	5.1
264.05386	2.6
264.08936	5.6
265.05917	2.0
265.09836	3.4
266.06931	3.4
266.10458	4.0
267.07678	7.1
267.11273	2.6
267.15863	1.5
268.04712	1.4
269.09241	2.1
269.17572	1.5
270.09842	1.2
271.10764	2.2
272.08176	1.5
272.11557	7.0
273.08835	1.2
275.13904	1.6
275.20102	4.7
277.06100	3.8
279.07678	9.0
281.09183	2.5
283.07117	2.2
283.10706	3.0
285.12347	12.7
291.07635	13.2
292.04861	6.4
292.07867	1.2
293.09183	5.2
293.21088	1.2
294.06274	1.4
295.07101	4.1
297.08725	3.6
300.11273	1.2
301.11862	6.5
303.13406	7.5
305.05634	11.1
309.08752	4.3
310.05890	3.8
310.09503	7.6
311.10284	17.3
315.09729	1.8
319.07208	4.9
321.08862	3.0
323.06625	9.1
337.08188	100.0
338.08600	2.1
339.09772	20.4
341.07800	2.4
341.69009	1.2
342.08337	1.6
347.06689	4.8
349.23840	3.2
355.09256	55.5
357.10803	11.4
365.07681	19.1
383.08749	91.0
384.09152	1.5
385.23532	1.1
395.20490	1.3
401.09814	69.3
402.10367	1.4
411.73108	1.2
413.21741	2.0
420.19165	3.9
438.20377	7.5
440.33023	1.2
476.14368	1.2
511.28952	1.4
595.21722	6.8
597.23572	10.9
623.21490	16.2
641.22455	55.4
642.22363	1.4
655.23914	4.1
673.24384	3.9
673.34888	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	672.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.1
57.03423	4.2
57.07081	100.0
59.05006	57.4
60.71668	0.9
67.05502	3.3
69.07059	3.1
71.08637	97.5
79.05478	3.7
81.03442	1.5
81.07071	5.3
83.08632	6.4
85.10190	93.7
86.10535	1.5
87.04466	4.2
89.06035	35.2
91.05470	2.9
93.07017	2.7
95.04926	1.7
95.08618	2.3
97.06554	1.6
97.10165	2.2
99.08102	1.2
99.11126	1.5
99.11733	12.7
101.06021	1.5
101.09672	4.9
103.07557	2.2
105.07032	1.9
107.08577	2.4
115.51952	1.0
117.09146	17.9
119.08635	2.0
121.10145	1.5
130.08643	1.0
131.07050	1.2
133.08606	19.8
141.16403	10.1
147.10138	1.2
175.09621	1.3
177.11224	9.4
199.20584	24.4
239.14819	1.4
240.23070	1.1
257.24780	26.2
283.17566	8.9
306.28122	1.0
315.29056	1.7
341.21738	3.1
395.34869	1.1
399.25510	1.3
672.51630	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.05518	6.4
57.03439	4.6
57.07080	40.0
61.02932	15.8
67.05181	0.9
67.05511	13.9
69.03415	2.6
69.07070	9.4
71.04982	0.7
71.08636	30.9
73.02920	6.5
75.04468	2.0
79.05486	3.2
81.03410	2.2
81.06596	0.9
81.07059	18.0
83.04955	0.8
83.08624	11.7
85.02907	19.5
85.06566	1.2
85.10188	18.0
89.06040	1.4
91.03416	1.0
91.03960	14.2
91.05478	2.5
92.05794	0.8
93.07046	2.7
95.04964	1.9
95.08611	26.8
97.02897	8.1
97.10181	4.8
98.20986	4.2
99.04436	0.8
99.11746	1.0
101.02370	0.7
105.07030	1.9
107.08610	1.8
109.06493	1.0
109.10162	11.7
111.11716	1.0
115.99003	0.7
117.07037	1.3
123.11698	5.9
125.13287	1.3
127.03918	5.4
129.06999	1.0
131.08565	1.0
135.11707	0.9
137.13226	2.1
137.54332	0.7
143.08504	0.7
145.04987	6.7
147.11644	0.8
151.14891	1.4
163.06015	12.0
163.07260	1.3
169.10103	1.0
221.22656	0.8
229.19481	1.0
239.23701	24.2
257.24686	5.2
313.27380	100.0
314.27841	1.4
331.28436	35.8
486.54938	0.7
574.60059	0.8
636.39630	0.9
639.26483	1.0
654.40790	1.1
672.41339	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
55.01854	0.7
55.05508	1.4
55.67407	0.5
57.03434	0.7
57.49008	0.5
67.05503	2.0
71.51878	1.1
79.05495	2.4
79.69743	0.6
81.03426	1.3
81.07052	2.7
91.05489	2.0
93.07045	1.7
95.04967	1.1
95.08633	1.9
105.07027	1.7
107.08576	1.2
109.06554	0.9
117.07003	0.7
119.08593	0.6
129.06944	0.6
131.08545	0.7
135.11729	0.6
169.31895	0.5
223.12196	0.6
243.11441	0.7
249.13879	0.7
268.71832	0.5
288.11752	0.5
319.22546	1.1
335.25946	0.8
353.17816	0.6
365.17761	0.9
367.19211	1.7
376.18091	0.8
377.17877	0.8
379.19559	0.8
380.20297	0.8
381.16846	0.8
382.21298	0.6
393.21140	1.1
395.18692	2.0
403.19305	0.8
406.17722	1.0
407.18408	1.2
409.20428	1.8
410.21152	0.8
417.17056	0.8
419.23105	0.7
421.20395	1.7
423.17676	0.8
423.22278	0.9
425.23480	1.2
430.18756	0.6
432.19589	0.8
435.22327	1.4
437.19052	1.0
437.24277	1.3
438.20444	4.4
439.21243	1.6
445.20499	1.9
446.21252	1.3
447.22235	1.3
448.22717	0.9
449.23834	1.0
451.21344	0.9
453.22903	7.7
454.23639	1.2
456.88831	0.6
459.21841	1.5
460.22766	2.0
462.20441	0.9
465.23062	1.1
469.26266	3.1
473.24036	0.8
474.24493	3.1
475.21204	1.2
476.22015	1.9
477.22879	2.5
478.19363	0.7
479.20554	1.2
480.24948	0.8
483.24060	1.5
487.21527	1.1
491.20322	0.7
493.22220	0.7
495.24655	0.8
497.25510	5.0
501.23486	2.6
502.24219	3.7
503.21017	2.2
505.18680	0.9
507.24225	1.2
508.24692	0.8
510.26242	1.0
511.27271	0.9
512.27795	3.4
521.21399	1.2
522.22632	1.1
523.19696	1.1
523.27362	0.9
524.24677	1.4
525.24878	3.6
529.22534	1.7
530.22845	0.8
533.25537	3.3
536.24078	1.3
538.25647	2.5
540.27313	9.5
545.25677	3.0
551.27539	2.8
561.24982	2.8
563.26538	2.4
565.24713	0.8
579.25763	2.1
589.24762	6.2
593.27814	1.1
595.27039	1.0
607.25159	1.8
611.25305	5.9
621.26624	1.7
627.28027	0.7
639.27899	10.3
653.29559	1.8
653.40051	0.8
671.30780	100.0
672.31177	5.8
698.59027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75562	0.6
55.05511	1.5
57.07062	0.7
67.05499	2.9
69.03394	0.6
69.07067	1.5
69.92278	2.9
73.32290	0.6
79.05490	2.0
81.03429	1.1
81.07050	3.8
83.08659	0.7
91.05481	2.3
93.07046	2.4
95.04965	1.4
95.08604	1.4
98.83957	0.5
105.07040	2.3
107.08595	1.3
109.06522	0.7
109.10152	0.8
117.06965	0.7
119.08588	1.1
132.08195	0.6
133.10190	1.2
135.08109	0.9
135.11734	0.9
145.10088	0.7
157.51733	0.6
159.11647	0.7
225.14076	0.7
233.11096	0.6
237.13927	0.8
243.11220	1.2
249.13866	0.8
263.11707	0.6
300.14880	0.6
312.14905	0.6
319.22812	1.0
353.18057	0.8
364.17838	0.7
367.19214	1.3
381.16837	1.1
391.19513	1.1
393.20993	0.9
395.18591	1.4
403.15314	0.8
405.20996	0.9
407.18347	1.3
408.19583	0.9
409.20584	1.2
410.21124	1.0
411.21756	0.7
419.18802	0.9
421.20325	1.0
422.21109	1.4
423.22351	1.0
425.23529	1.2
433.15244	0.7
435.22311	1.0
436.23224	0.7
437.19348	1.2
438.20377	3.9
439.21347	1.8
445.20285	1.6
446.21320	1.3
449.19556	1.8
450.19925	0.7
451.21548	1.6
452.22214	1.4
453.22897	8.2
454.23938	0.9
459.22284	0.9
460.22861	1.3
461.23422	0.8
462.20822	0.9
465.22876	1.9
469.26114	3.2
473.24051	0.8
474.24078	2.1
475.21725	2.3
476.22476	1.6
477.22916	2.3
479.20517	1.3
481.22495	1.0
483.24014	1.6
491.21207	1.3
492.21216	0.9
493.22296	2.1
497.25473	4.6
501.23145	1.9
502.24347	3.2
503.21121	1.7
505.18900	1.0
507.24234	1.0
509.21542	0.9
510.26505	1.0
511.27139	1.1
512.27917	2.8
520.25092	0.8
521.22101	1.2
522.22437	3.4
523.19305	0.7
523.24475	0.6
524.24371	2.4
525.25262	4.7
529.22339	0.8
530.23541	1.1
533.25073	2.2
535.26984	1.0
536.24292	1.4
538.25769	2.0
539.26013	1.1
540.27386	9.0
545.25208	2.8
551.22144	3.9
552.23627	0.9
561.25085	3.0
562.26086	1.1
563.26440	1.9
567.27124	0.7
589.24249	7.3
592.22913	0.8
593.27765	0.9
595.25732	0.9
607.25171	1.4
611.24945	10.2
621.27240	1.1
627.28015	3.6
639.27386	11.2
640.27576	0.8
653.29675	2.1
671.30768	100.0
672.30841	5.3
684.61731	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.05510	0.5
65.03927	1.4
67.05496	0.7
68.99765	0.3
69.03136	0.3
69.03434	3.0
69.07061	0.5
69.89037	1.4
70.06594	0.6
71.04964	0.3
74.06078	0.3
77.03924	0.7
79.05486	0.9
81.03417	3.8
81.07051	1.3
83.05000	0.4
83.60464	0.3
84.02878	0.3
85.02912	1.4
85.06548	0.4
89.03905	0.7
91.05488	21.1
92.05800	0.3
93.07047	0.7
95.04980	0.5
95.08604	0.8
97.02885	0.9
99.04453	0.8
103.05426	0.4
105.03416	0.7
105.07033	0.5
107.04941	0.4
107.08588	0.7
109.02885	1.5
109.10172	0.8
115.08699	0.3
119.04951	31.3
119.08574	0.5
121.02840	0.4
121.06504	1.4
121.10120	0.4
122.06821	0.3
123.04455	0.5
123.11705	0.3
125.09655	0.7
127.03910	1.1
129.03362	0.5
129.04454	0.3
131.04926	0.4
131.08632	0.3
132.02107	2.0
133.02872	0.6
133.10127	0.4
135.04401	0.6
136.05205	0.6
137.02342	0.5
137.05962	1.0
139.03908	0.4
139.07529	0.4
145.06464	0.3
147.04419	26.6
148.04771	0.5
149.02310	0.9
149.05998	0.3
151.07567	0.3
153.01837	3.8
153.05383	0.3
157.03952	2.8
161.06020	0.3
163.03917	0.7
164.04710	1.1
165.01877	0.3
167.07085	2.3
175.03918	45.5
176.04317	0.6
177.05484	0.7
179.07051	2.7
183.02888	0.3
189.05293	0.8
190.06111	0.3
191.06862	0.3
192.04237	0.6
195.06538	0.6
196.13345	1.8
197.13713	0.9
201.05467	0.5
207.06540	100.0
208.06894	1.7
223.09593	0.4
225.07613	0.4
229.04951	1.0
237.11197	0.4
257.04495	1.0
285.03674	0.3
303.05008	22.8
304.05438	0.6
351.10788	6.9
351.15179	0.4
369.11880	3.8
473.29129	0.9
491.29901	1.1
509.30658	0.9
671.26105	1.2
671.36658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.7
55.01859	5.7
55.05513	25.9
57.03424	11.0
57.18126	2.4
59.97878	3.0
65.03928	4.0
67.05509	72.4
69.03434	5.8
69.07084	14.4
71.04995	16.9
71.51340	3.8
77.03927	2.8
79.04794	3.4
79.05492	74.6
81.03420	31.2
81.07063	100.0
83.04972	22.9
83.08616	6.5
85.02888	5.9
85.06535	9.6
85.92120	2.6
91.05483	52.9
93.07050	59.9
95.04984	17.8
95.08620	27.1
97.02867	5.8
97.06537	6.5
97.10146	5.3
99.04438	3.3
99.08064	4.1
105.07037	37.3
107.04969	4.9
107.08609	17.7
109.02854	8.8
109.06514	8.0
109.10139	5.2
115.05411	3.2
117.07039	15.5
119.08581	22.5
121.06491	4.3
121.10152	10.2
123.08051	4.6
123.11691	9.8
127.03907	2.6
128.06230	3.2
129.05461	4.1
129.06993	13.8
131.08540	6.5
133.06483	3.2
133.10126	20.9
135.08061	3.4
135.11668	5.7
143.08557	7.5
145.10124	8.3
147.11719	23.8
149.13226	10.5
157.10201	3.7
159.07986	2.6
159.11754	6.4
161.09653	3.8
161.13237	7.6
171.11644	19.3
173.04433	12.2
173.13145	3.2
177.12793	2.8
183.13995	2.8
189.12718	5.4
195.13828	4.3
207.13773	17.7
225.14885	5.5
281.17484	44.8
301.15344	2.7
405.65796	3.1
413.21542	6.0
445.24057	2.7
449.29034	76.6
463.30380	4.6
475.30597	95.4
507.33273	8.4
619.34741	5.1
651.37921	14.5
669.39685	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	669.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01870	0.9
55.05514	18.4
55.51765	0.4
56.01389	2.3
56.43414	0.4
60.04536	0.5
65.15790	0.4
65.46893	0.4
69.03427	1.3
69.05821	0.9
69.07050	0.6
70.06596	9.6
71.50593	0.5
71.50957	0.5
72.08159	21.8
79.05508	0.8
80.08178	0.4
81.07078	0.8
84.08165	1.0
85.02910	1.1
91.05492	1.5
93.07053	0.6
94.04207	0.7
95.05009	1.0
95.08613	1.0
98.06057	73.8
99.09216	19.8
99.09886	0.7
103.05460	1.6
105.07043	1.1
107.04983	0.6
107.08549	0.8
109.06528	0.7
109.10138	0.5
115.08695	100.0
119.04949	1.0
121.06498	1.0
121.10147	0.8
122.03680	1.3
122.06007	0.8
123.04408	1.1
123.11710	0.5
127.03961	0.6
127.08693	3.0
129.06993	0.4
131.04933	2.5
133.02859	3.6
133.06358	0.6
134.06039	0.6
137.05980	22.4
139.03922	0.6
145.02859	1.9
147.04416	1.2
147.12860	0.4
148.05193	1.1
148.07600	0.6
149.04924	0.4
149.05994	1.5
150.05525	1.9
150.06712	0.8
151.03909	4.8
151.05013	0.7
151.07573	0.8
152.07076	1.8
153.01848	3.8
153.05508	0.5
161.06001	0.6
163.03925	0.7
163.07549	1.7
164.07063	1.2
165.05559	3.1
165.07858	9.0
165.08995	0.4
166.08623	1.2
167.07072	1.7
175.03873	0.4
175.07562	1.5
176.04674	0.7
177.05450	6.0
177.06839	0.5
178.06215	0.7
179.07051	0.4
181.04988	1.9
187.07539	1.0
189.09140	0.6
191.07104	3.7
192.06583	1.4
192.10197	1.5
204.10304	0.5
205.08528	0.5
205.10916	0.5
206.11787	1.1
220.13370	1.4
236.12823	3.3
236.64447	0.4
246.11256	1.1
248.12794	0.7
251.45107	0.4
263.13916	47.1
264.14676	4.8
265.08734	0.4
277.08563	0.6
387.14386	5.3
399.60791	0.4
494.33524	0.6
520.16998	1.4
523.88116	0.5
535.19781	0.8
563.18787	0.8
619.25543	0.9
651.29156	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	667.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03457	1.0
56.03895	0.9
61.82481	0.8
69.07049	1.7
69.38316	7.6
76.55547	1.0
84.38554	1.0
84.62325	1.0
94.06579	2.5
106.06532	1.7
120.08060	1.0
122.06019	5.4
130.18370	1.0
136.07594	10.1
140.07063	10.4
146.06013	2.2
146.09630	2.1
148.07565	3.9
152.07101	1.0
161.95096	0.9
162.05573	1.4
164.07089	18.4
166.08664	16.3
172.03938	2.3
174.05534	3.1
176.07039	5.2
190.05043	2.3
204.06587	3.7
208.09776	1.0
209.10693	1.7
210.11528	1.1
222.11435	1.5
223.12303	2.2
235.12273	2.5
237.10219	7.0
237.13838	2.1
238.11049	3.9
239.11790	6.8
246.07564	1.1
248.09482	3.4
249.10210	5.1
250.11026	4.0
251.11742	11.5
251.13649	1.0
252.12726	1.9
253.13472	2.6
255.11330	1.7
261.12439	1.4
263.11835	17.4
264.08771	1.1
264.12518	3.6
265.09827	5.5
265.13382	33.4
266.13974	2.2
267.11328	1.4
269.12946	2.4
271.14368	1.3
276.08826	1.7
277.09634	7.2
278.10556	3.3
279.11288	38.6
280.11951	2.0
281.12869	1.9
282.13513	1.3
283.14413	2.4
287.14017	3.3
291.11267	7.5
292.12067	3.3
293.12888	7.8
294.13687	1.5
295.10724	5.0
295.13910	1.2
296.11591	3.1
297.12329	20.3
298.13226	2.4
309.12338	50.3
310.13101	22.0
311.10260	1.5
311.13855	22.7
311.17316	1.9
312.14600	3.5
313.11774	3.7
313.15277	2.0
319.10724	7.5
321.12155	2.9
323.16153	1.7
337.11826	100.0
338.12592	28.9
339.13373	17.6
345.14352	1.2
356.14203	0.9
369.14441	20.3
370.15182	6.0
371.11884	1.1
371.16092	12.0
399.15659	1.7
400.16794	1.3
401.13391	4.3
416.16199	1.6
434.17026	1.9
450.20502	1.8
452.21887	34.6
458.17072	3.3
459.17224	1.0
476.18079	4.0
478.19772	46.8
479.20059	1.9
494.19193	3.6
496.20746	5.1
510.22415	44.0
511.22791	1.8
575.24921	2.1
599.25098	6.2
617.25928	5.6
635.27081	18.3
667.29578	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	667.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
65.51570	0.4
67.05510	0.6
69.07065	1.0
69.62388	2.1
70.06614	0.5
74.60345	0.3
79.05505	0.4
83.04982	0.4
84.08136	0.5
94.06582	1.0
95.04961	0.5
106.06583	0.5
107.07348	0.4
121.06538	0.5
122.06034	3.1
134.06007	1.1
136.07588	7.4
137.05984	0.7
138.05521	1.5
140.07057	4.9
144.04420	0.4
146.06076	2.3
146.07127	0.4
146.09659	1.1
148.07600	1.0
150.09160	0.4
152.07033	0.6
153.01891	0.6
162.05531	0.8
162.09109	0.8
164.05717	0.6
164.07094	12.6
166.08662	4.9
172.03952	2.2
174.05519	0.9
176.07146	2.1
190.05052	0.4
197.10710	0.5
204.06625	3.4
206.08067	2.2
208.09792	0.6
210.11594	1.6
211.12489	0.8
218.08157	0.9
221.10881	0.8
222.11568	1.2
223.12338	1.2
224.09509	0.5
224.13170	0.8
225.10329	0.7
227.11813	0.4
235.08719	0.9
235.12434	1.6
236.09451	0.6
236.13011	0.9
237.10226	4.5
237.13841	1.4
238.10919	2.0
239.11795	3.0
247.12395	0.7
248.09526	2.2
249.10286	4.3
250.11047	3.9
251.11839	5.5
252.12509	0.9
253.13391	1.1
255.11368	1.2
261.12418	0.7
262.11017	0.6
263.11819	16.9
264.09824	0.5
264.12494	3.1
265.09811	4.3
265.13409	15.3
266.14035	1.1
267.11285	1.5
268.12039	0.5
269.12811	2.3
270.13699	0.6
271.14438	0.7
277.09793	2.0
277.13556	0.5
277.58115	0.4
278.10541	1.6
279.11313	21.1
280.11911	1.9
281.12939	2.0
282.13751	1.2
283.10803	1.0
283.14182	0.9
285.12329	0.5
287.14035	1.6
291.11343	5.2
292.12100	1.0
293.12793	3.7
294.13480	0.7
295.10861	1.7
296.11612	1.2
297.12372	13.7
297.15756	0.7
298.13049	1.2
309.12372	38.4
310.13098	12.6
311.13882	8.4
312.14722	1.0
313.11810	1.4
313.15314	0.8
319.10800	3.3
320.11423	0.6
321.12390	1.2
323.16245	0.4
325.11832	0.7
327.13477	1.2
337.11841	30.5
338.12616	12.6
339.13409	7.0
345.14462	2.0
351.13492	0.6
369.14487	39.8
370.15289	7.4
371.16101	7.7
372.16870	0.4
374.15179	0.6
384.13300	0.4
390.18301	0.6
398.14841	0.6
399.16025	0.9
400.16684	1.1
401.13272	0.5
417.16675	0.5
418.17737	0.7
434.16824	0.6
450.20258	0.9
452.21872	7.6
458.17566	1.8
459.17847	0.6
466.20056	0.7
476.18231	1.1
478.19788	8.4
480.21680	0.6
494.19070	0.9
496.21219	0.7
510.22406	100.0
511.22891	3.1
575.24750	1.1
599.24933	5.1
617.25922	2.3
631.27472	1.2
635.27173	6.0
649.29346	0.7
667.30121	2.7
667.39978	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.4
55.05513	40.7
57.03432	12.5
57.07076	11.7
57.77151	5.3
67.05511	77.5
68.60886	5.0
69.03420	7.3
69.06790	4.8
69.07079	58.9
69.32932	14.5
69.33354	28.3
71.08622	10.9
72.34747	4.5
79.05495	52.6
81.07064	97.4
83.04987	10.3
83.08623	42.4
91.05487	44.7
93.07037	69.9
95.04974	9.0
95.08597	54.4
97.06522	12.3
97.10175	14.7
98.20797	12.1
99.08137	4.8
105.07042	33.2
107.08595	41.6
109.10162	30.5
117.07010	16.6
119.08601	26.7
121.10128	32.1
123.11736	7.6
124.83564	4.8
131.08566	16.5
133.10143	24.2
135.11690	26.1
143.08572	6.2
145.10136	15.9
147.11674	12.8
149.09634	5.7
149.13258	11.7
159.11696	9.9
173.13313	5.9
218.61952	5.1
255.15939	16.0
257.18954	13.5
265.25162	6.3
269.17429	21.7
275.20047	30.3
339.28925	74.3
349.23795	22.3
507.40643	7.4
519.40247	22.0
533.34589	7.7
533.42047	100.0
604.86609	6.5
613.47736	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	665.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.4
57.03428	1.2
61.02921	3.1
67.05513	8.1
69.03436	2.8
69.07069	1.9
69.43887	0.7
73.02917	2.5
79.05489	4.5
79.98225	0.9
81.03417	3.1
81.07063	6.6
82.07451	0.8
83.05019	1.2
83.08602	1.7
85.02911	3.7
88.35507	0.8
91.03957	3.3
91.05489	3.4
93.07052	5.0
94.88121	0.7
95.04989	1.8
95.08604	1.9
97.02899	2.8
97.06592	1.3
101.02360	1.3
105.07031	2.5
107.08619	3.7
109.06512	1.1
109.10144	2.6
111.08082	1.3
117.06996	1.5
119.08608	2.2
121.06538	0.9
127.03938	1.1
131.08594	1.8
133.10139	2.3
135.11719	1.6
139.03932	1.4
145.85591	0.8
149.02356	2.4
149.13278	3.0
159.11699	1.3
182.95470	0.9
193.05008	3.0
203.05186	1.0
235.13039	1.3
243.08508	2.9
269.17691	1.4
275.20166	1.4
279.59225	0.8
291.15646	1.4
352.13513	0.8
453.21036	16.2
503.64636	0.8
665.35114	100.0
666.35370	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	665.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.05503	2.3
57.03444	1.2
61.02927	4.2
62.83793	0.5
65.21391	0.6
67.05509	6.0
69.03429	2.6
69.07059	1.1
71.51173	0.8
73.02929	2.2
74.52760	0.5
76.75517	0.5
79.05489	3.2
79.09593	0.6
81.03426	2.0
81.07066	6.0
83.04984	0.7
83.08620	1.3
85.02902	4.7
88.16665	0.6
88.58964	0.6
91.03970	3.0
91.04458	0.5
91.05488	2.5
93.07044	4.3
95.04977	1.3
95.08628	1.9
97.02908	3.1
97.06557	0.8
101.02393	1.0
105.07047	1.7
107.08611	2.1
109.02877	0.5
109.06523	0.6
109.10172	1.5
111.04433	0.9
117.07056	1.2
119.08634	0.7
121.06554	1.0
121.10150	1.2
125.09640	0.8
127.03926	1.5
131.08629	1.3
133.10146	1.3
135.11707	0.6
149.13268	1.7
159.11722	1.8
177.12878	0.7
195.13817	1.0
203.05295	0.6
235.13147	1.8
243.08434	2.0
269.17459	1.0
275.20126	0.8
291.15924	0.6
436.43835	0.6
453.20969	15.5
665.35089	100.0
666.35590	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	665.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.6
55.01865	0.7
55.05505	2.0
57.07070	0.7
59.04962	0.5
65.03941	1.5
67.05504	3.5
68.99784	2.0
69.03425	0.7
69.07072	4.2
69.17567	5.8
70.06567	0.6
71.04984	0.6
71.08636	0.6
71.89092	0.5
79.01850	1.4
79.05486	2.0
81.07054	10.1
83.04955	1.1
83.08612	0.7
85.06516	1.2
86.09669	0.6
87.77406	0.6
91.05468	2.1
93.07038	4.0
95.04973	1.0
95.08612	7.5
97.02870	0.8
97.06542	1.3
97.10151	2.4
98.21522	1.1
99.08063	0.6
105.07035	2.3
107.04930	0.7
107.08598	3.9
109.06503	0.7
109.10152	2.9
111.00825	1.5
111.04450	1.8
111.08083	1.3
111.11708	0.7
119.08595	1.8
121.02854	1.6
121.06504	1.1
121.10149	3.1
123.04440	2.8
123.11694	5.1
124.07652	0.8
125.02407	0.6
127.03909	1.7
131.04880	0.7
131.08609	0.6
133.10112	1.7
133.18097	0.6
135.04433	1.2
135.08061	0.8
135.11708	1.5
137.05992	1.2
137.13248	2.4
139.03903	100.0
139.11179	1.3
140.04242	1.2
143.03375	1.0
147.04436	0.8
147.11691	0.7
149.13295	4.3
151.03906	7.4
151.07588	0.8
151.11194	0.5
153.01833	21.3
153.02931	1.5
153.05424	0.9
153.12685	0.9
155.14317	0.7
157.12238	2.1
161.05983	1.1
161.13228	0.8
163.03903	9.4
163.14810	0.8
164.07147	0.9
165.05521	0.7
167.07092	0.8
169.12349	0.8
171.50708	0.5
175.14836	0.6
177.05521	0.9
179.07031	1.9
181.04906	0.9
187.13275	2.5
191.03429	1.7
195.36977	0.6
201.09160	0.6
203.12746	1.3
205.04880	4.3
213.16524	0.7
287.23431	0.6
289.07062	17.7
289.91138	0.6
293.24786	2.0
299.12286	0.6
301.07086	1.6
304.15869	0.6
305.24741	10.3
309.08566	0.6
318.88153	0.6
323.25830	6.9
341.26895	1.0
345.09576	0.7
353.10843	0.5
355.09396	0.7
383.12491	0.7
387.11835	0.9
485.00714	0.7
524.20239	1.3
570.52502	0.6
587.24695	0.8
619.21619	0.6
621.34113	0.9
628.79419	0.7
633.25690	2.0
665.35852	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
66.66234	0.8
67.05500	1.2
67.32796	0.8
69.07079	4.5
70.06590	1.9
71.51424	1.2
72.08142	1.0
79.05501	1.5
80.04990	1.2
83.04982	0.9
91.05457	1.1
93.05759	1.2
93.07058	1.0
94.06571	8.8
95.04971	1.8
97.06565	1.5
102.44977	1.0
104.81728	0.8
106.06523	1.1
108.08134	2.9
110.06031	1.2
112.07577	1.3
112.64245	1.0
116.04993	2.4
118.06554	1.5
120.08131	1.3
121.05270	1.4
122.06038	25.8
134.05995	2.1
136.07571	1.9
137.05925	1.8
138.05469	1.0
139.03885	3.1
140.07065	33.2
144.04431	5.7
146.06030	19.6
147.06822	1.7
148.07581	4.3
152.07140	1.8
153.01826	4.3
159.06825	0.8
160.07578	2.1
162.05527	3.1
164.07092	1.1
167.07077	2.8
167.56895	0.9
172.03952	32.7
172.05423	1.7
173.04723	1.2
174.05516	12.0
176.07101	11.4
178.08673	1.7
188.07132	1.3
190.05031	4.9
190.08658	1.2
192.06595	3.1
197.10770	1.6
198.09283	1.3
198.11505	0.9
199.08673	2.8
201.10164	1.7
204.06578	58.7
206.08138	24.2
211.08679	1.5
212.09300	1.0
213.10225	3.2
214.10794	1.6
215.11865	3.3
224.09283	1.4
225.10188	4.2
226.08746	1.2
227.08131	1.5
227.11778	1.3
235.08632	1.0
236.09398	1.0
237.10239	3.5
238.11008	1.6
239.08188	1.1
239.11867	2.6
241.09746	3.2
241.13428	1.3
242.11887	1.1
243.11322	15.2
249.10187	1.6
251.11836	2.0
253.09660	1.2
255.11214	1.6
256.12061	1.9
257.09210	1.7
257.12936	1.4
259.10773	1.2
261.12338	2.1
263.08691	0.8
263.09119	0.9
263.11789	6.1
265.09692	4.1
265.13223	1.6
266.10501	1.3
267.11255	2.4
269.09186	3.1
270.09882	1.2
271.10849	3.0
273.12405	2.2
277.09680	2.2
279.11298	2.8
280.12253	1.7
281.09097	1.2
283.10800	5.2
284.11679	2.1
285.12375	11.3
287.10291	4.0
287.13974	4.4
288.11075	1.0
291.11227	1.8
293.09464	1.1
295.10648	1.4
298.13052	1.4
299.10321	3.7
299.14011	1.1
300.12015	1.6
300.15079	1.2
301.12015	3.2
302.12936	1.4
303.13397	37.1
304.14435	2.0
309.12332	3.8
311.10229	1.1
313.11877	16.8
314.16556	1.5
316.10956	2.1
316.14352	2.0
317.15073	2.2
318.15991	4.8
319.16815	3.3
321.14514	1.1
323.10242	2.1
323.13873	2.2
325.12018	1.8
327.13449	1.1
328.14478	1.9
329.11700	2.0
330.12396	3.7
330.16116	1.5
331.12991	9.7
332.13861	1.5
332.17542	2.7
336.11234	1.5
337.11633	1.9
343.13483	1.7
344.13745	4.8
345.14536	34.3
346.15540	6.5
347.16415	5.3
356.13916	2.0
357.11206	1.5
358.11578	2.3
358.15598	3.2
360.17346	4.8
363.15356	1.0
368.13745	2.4
369.14398	3.4
370.11554	1.1
370.15729	2.2
371.12775	3.0
372.13318	8.0
372.17282	1.5
373.14258	4.5
374.14987	7.9
376.16367	1.3
379.19016	1.3
385.14383	1.7
386.15030	12.5
387.15860	9.2
388.16663	7.9
390.13928	1.2
390.18454	1.2
392.15659	1.1
396.13379	1.3
398.14807	1.4
400.12506	1.5
401.18011	0.9
402.14420	3.2
402.18707	1.8
404.15906	5.0
405.16766	3.4
406.17615	6.3
412.16766	1.1
414.14566	9.7
415.15274	20.9
416.16101	26.7
417.15372	1.8
418.17786	2.4
419.18201	1.6
428.16025	3.8
429.16693	1.8
430.17590	5.4
431.18478	1.4
432.15503	3.2
433.16656	4.2
434.17181	8.0
446.17084	9.0
447.17825	3.3
448.18668	0.9
456.15530	5.5
457.16257	1.0
460.15109	1.5
474.16629	38.4
475.17401	20.2
476.18188	10.5
489.18454	1.2
506.19293	7.1
507.19873	3.5
508.20709	5.6
510.22208	1.1
571.25433	2.8
573.23291	6.2
597.23535	9.0
615.24512	100.0
616.24835	5.2
647.27142	8.0
665.26526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23544	0.5
55.00232	0.5
59.26316	0.6
65.03956	0.6
67.05499	1.6
69.07066	4.2
70.82307	1.1
79.05493	0.8
81.80588	0.5
94.06572	6.6
95.04963	1.4
106.06561	0.6
108.08113	1.5
110.06068	1.1
112.07604	1.5
116.04991	1.1
116.07052	0.5
117.05692	0.6
118.06525	1.7
120.08119	1.0
120.67722	0.5
122.06030	23.2
123.04474	1.3
124.07594	0.8
134.05983	1.4
136.07591	0.7
139.03900	0.7
140.07065	36.8
140.44044	0.4
144.04457	3.5
146.06009	14.0
146.07109	1.0
147.06812	1.3
148.07561	3.1
152.07088	1.8
153.01840	0.9
154.05000	0.6
158.05969	0.7
160.07597	0.9
162.05513	2.6
164.07062	0.6
172.03947	17.5
173.04750	3.7
174.05511	18.6
174.09158	0.5
176.07085	9.4
178.08536	0.5
184.09821	0.5
186.09103	0.6
187.12349	0.7
188.07088	1.0
190.04967	4.1
191.05798	1.7
192.06633	2.0
196.09700	0.5
197.07095	0.8
197.10757	0.8
198.09251	1.1
199.08737	1.3
201.10252	0.8
204.06561	32.3
205.07063	0.6
206.08115	10.1
206.09879	0.8
210.11484	0.6
211.08765	2.5
211.12244	1.1
212.09344	1.2
213.10207	3.7
214.11067	1.2
215.11816	2.0
216.10294	0.9
223.08720	0.9
224.09402	1.2
225.10243	3.7
226.08743	0.8
226.10840	1.2
227.08116	1.0
227.11887	1.8
229.09792	0.9
235.08823	0.5
237.10207	1.3
238.11020	0.8
239.08177	1.0
239.11809	2.4
241.09717	2.6
243.11299	12.7
249.10333	1.6
251.11913	1.8
253.09654	1.2
253.13200	0.5
255.11349	1.8
256.12106	0.8
257.09238	0.7
257.12979	0.8
259.10825	0.9
261.12518	1.2
263.08173	1.8
263.11890	0.8
264.08942	1.4
265.09760	3.3
266.10565	1.4
267.11273	2.4
268.09698	1.2
269.09314	2.4
269.12561	0.6
270.10123	1.1
271.06284	1.1
271.10858	1.9
277.09769	1.3
278.10596	0.6
279.11322	2.2
280.12021	0.7
281.09302	0.9
283.10773	6.1
284.11603	1.9
285.12344	18.0
287.10342	3.7
287.13947	3.1
288.11331	0.8
293.12582	0.7
295.10886	1.0
296.11737	0.6
297.12265	1.1
298.13092	0.8
299.10352	3.9
299.13846	0.9
300.12213	0.9
300.15231	0.7
301.12155	2.0
302.12839	1.7
303.13394	37.4
304.14215	2.2
305.15024	0.6
307.10898	0.7
309.08734	0.5
309.12280	1.1
311.13852	1.0
313.11826	38.6
314.16687	0.8
315.13776	1.1
315.17206	0.6
316.10855	1.7
316.14587	1.8
317.11893	0.6
317.15326	1.7
318.12692	0.9
318.16010	3.3
319.16956	2.6
323.10376	1.2
324.11057	0.9
325.11963	2.0
327.13754	0.8
329.11700	1.0
329.15463	0.7
330.12479	3.5
330.15854	0.9
331.12939	7.9
331.16754	0.7
332.13934	1.7
332.17554	1.0
337.11981	0.7
339.13623	0.9
340.14542	0.6
341.12460	0.7
342.12506	0.9
342.16101	1.3
343.13586	1.7
344.13849	3.7
345.14465	24.3
346.15497	5.0
347.16385	4.7
353.11215	0.9
355.13184	0.9
356.10272	0.7
356.13992	1.8
356.17932	0.7
357.11014	0.9
357.15021	1.3
358.11899	1.7
358.15646	3.3
359.12610	0.8
359.16623	1.2
360.17117	3.8
362.14584	0.7
363.15823	0.9
364.16306	0.6
367.13202	0.9
368.14008	1.4
369.14777	1.1
370.11954	1.7
370.15521	1.6
371.12827	2.3
372.13455	6.1
372.17245	1.3
373.14142	3.9
373.17923	0.8
374.14832	4.9
376.16663	1.6
378.18237	1.4
381.40723	0.5
382.15616	0.6
384.17218	1.4
385.14551	2.1
386.15024	10.1
387.15897	7.6
388.16669	6.3
390.18369	1.0
396.13229	1.2
398.15125	1.9
399.15485	1.2
400.12427	1.1
400.16745	1.8
401.13577	1.4
402.14456	2.2
402.18765	1.3
403.15433	1.0
404.16092	3.9
405.16644	2.6
406.17630	7.1
407.18646	0.6
410.14917	1.0
412.16934	0.8
414.14465	8.9
415.15320	18.0
416.16034	24.2
417.16455	0.9
418.17731	1.8
419.18509	0.6
428.15991	2.6
429.16730	1.5
430.17807	4.3
431.18188	1.6
432.15292	2.8
433.16418	4.7
434.16992	5.0
438.14319	0.9
446.17191	7.3
447.17929	3.0
456.15601	5.1
457.16159	1.3
458.17105	1.0
460.15024	1.6
464.18616	0.7
474.16595	26.7
475.17377	13.3
476.18271	7.2
489.18918	0.9
506.19263	5.0
507.19662	2.7
571.25714	1.8
573.23389	4.2
597.23401	6.8
615.24481	100.0
616.24731	4.8
633.25427	0.8
647.27026	3.9
665.28326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83966	2.7
56.28422	2.8
67.16145	3.2
69.07074	5.0
69.89925	13.8
75.24352	2.6
94.06562	7.2
107.52396	3.0
111.05595	3.0
122.06026	19.4
140.07092	28.6
144.04477	3.3
146.06030	10.3
148.07639	3.7
160.07626	3.6
172.03932	21.9
173.04837	2.8
174.05539	15.2
176.07080	10.0
192.43085	2.9
194.61168	3.1
204.06567	40.2
206.08130	17.1
225.10292	4.4
226.08801	3.0
237.10092	5.0
239.11954	4.1
243.11205	13.0
249.10229	18.6
250.10890	4.5
251.11787	6.5
262.11041	4.6
263.11813	86.4
264.12518	7.7
265.13470	5.4
267.11392	4.7
277.09894	17.7
279.11334	27.3
280.11847	4.5
281.09433	3.0
281.12823	5.1
283.10995	3.9
285.12192	13.2
290.10495	7.4
291.11310	40.9
292.12100	7.5
294.10919	2.7
295.10806	17.3
299.10449	3.3
303.07980	2.9
303.13446	35.5
309.12366	36.1
310.12988	3.9
311.13852	5.7
313.11853	27.1
318.09836	5.1
318.15826	5.3
323.13937	50.3
331.12894	9.0
336.11069	45.9
337.11856	19.8
338.12930	3.5
341.14944	3.7
345.14465	29.7
346.15286	5.8
355.12939	4.8
358.15494	4.2
360.16782	4.7
367.12875	26.4
368.13675	41.7
369.14484	50.0
370.15439	16.3
371.12662	3.4
372.13388	6.0
373.14444	3.1
374.14914	4.4
378.18088	3.9
386.15143	7.7
387.15649	7.5
388.16635	5.2
404.16037	5.7
406.17569	8.4
414.14526	9.2
415.15442	14.5
416.16174	18.7
430.17685	5.8
432.15775	3.9
433.16605	5.4
434.17078	7.2
446.16949	5.1
456.15439	4.3
474.16559	31.0
475.17426	14.7
476.18298	14.3
478.19617	11.1
489.18655	4.0
493.18445	6.8
494.19443	6.8
506.19012	8.1
507.19785	4.0
508.20868	100.0
510.22495	38.4
526.22052	6.6
597.23389	9.4
615.24493	97.5
616.24341	4.9
629.25714	3.7
647.26550	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	665.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
63.61987	0.9
65.26201	1.0
65.60326	0.8
66.92281	0.8
67.05501	2.3
68.05025	1.2
69.03426	1.1
69.07066	5.7
70.06580	1.6
71.50888	1.3
72.08170	1.3
73.41469	0.8
73.92116	0.8
74.44238	0.8
79.05494	1.3
80.05025	1.4
81.03416	1.1
85.02908	1.1
87.93544	0.8
89.03921	1.0
91.05463	1.1
93.05769	0.8
93.07034	1.1
94.06573	10.4
95.04978	3.3
96.04507	0.8
97.06515	1.1
106.06544	1.4
107.04964	1.6
108.02098	0.8
108.08099	3.2
110.06060	1.6
112.07587	2.2
116.04994	2.4
118.06551	1.3
120.08155	1.4
121.06503	1.4
122.06034	28.6
122.06899	1.8
134.05971	2.9
136.07568	1.2
137.05972	2.5
138.05507	1.3
139.03894	3.5
140.05968	1.8
140.07065	36.7
144.04443	5.4
146.06017	21.2
147.06798	2.1
148.07588	4.7
149.02367	1.2
151.03908	1.3
152.07088	2.2
153.01839	4.5
158.06053	1.3
159.09328	1.2
160.07500	1.5
162.05482	4.0
167.07112	2.4
172.03934	38.6
173.04575	1.2
174.05515	15.8
175.06306	1.2
176.07080	13.4
178.08641	1.0
185.10683	1.2
187.08720	0.8
190.04988	5.9
192.06621	1.5
197.10771	1.6
198.07747	1.7
198.09435	1.0
198.11505	1.2
199.08636	1.9
200.09494	1.2
201.10286	2.0
204.06572	64.4
205.06964	1.1
206.08139	26.2
208.09665	1.1
211.08694	2.5
211.12233	1.5
212.09412	1.1
213.10280	4.3
215.11845	2.5
216.10081	1.3
223.08752	1.0
224.09419	1.6
225.10237	4.1
226.08649	1.1
226.10762	1.5
227.08121	1.0
227.11761	1.5
229.13499	1.3
237.10278	2.0
238.10921	2.5
239.11784	3.8
241.09766	4.1
243.11298	17.5
244.09691	1.0
245.37473	0.9
249.10168	2.1
251.11842	1.3
253.09843	1.1
255.11018	2.0
256.12097	1.7
257.12900	1.8
261.12354	4.2
263.08255	1.0
263.11850	5.7
264.08957	2.0
264.12701	1.2
265.09662	4.1
265.74261	0.9
266.10464	1.3
267.11191	1.9
268.09763	1.1
269.09241	3.3
269.12827	1.0
270.09995	1.4
271.10828	3.3
273.12378	2.0
277.09619	1.1
279.11304	4.4
283.10724	8.5
284.11609	1.9
285.12317	14.6
287.10315	5.7
287.13992	3.9
288.11215	0.9
289.12607	0.9
290.13022	1.1
291.11215	2.1
295.10800	2.5
297.12579	1.4
298.13245	1.0
299.10226	5.0
299.13654	2.0
300.12366	2.0
301.12051	3.6
302.12881	4.5
303.13403	44.1
304.14386	3.9
309.12250	4.0
311.10254	1.0
313.11887	19.9
314.12723	1.8
314.16483	2.0
315.13879	1.2
316.10754	2.5
316.14493	2.5
317.11655	1.3
317.15399	2.4
318.15836	4.5
319.16760	3.8
321.14557	1.4
323.10330	2.3
323.13992	2.6
325.11694	1.0
328.14709	1.5
329.11798	1.9
330.12494	3.7
331.12924	12.0
331.16550	1.7
332.13818	2.3
332.17676	1.8
336.11014	2.2
337.11499	1.2
342.12439	1.3
342.16153	1.8
343.13367	2.1
344.14075	4.9
345.14514	36.1
346.15335	7.9
347.16330	4.2
354.12228	1.7
355.13223	1.1
356.10138	1.4
356.14111	1.9
358.11972	2.6
358.15515	2.9
359.16470	1.9
360.13229	1.0
360.17068	5.9
363.15622	2.3
367.12985	1.1
368.13654	2.7
369.14514	2.6
370.11795	2.4
370.15680	2.4
371.12704	3.4
372.13412	7.9
373.14105	6.2
374.14972	5.9
374.19055	1.7
376.16623	2.3
378.18094	2.2
382.15421	1.2
384.17346	1.5
385.14349	3.7
386.14951	10.8
387.15955	12.5
388.16684	7.9
390.14178	1.5
392.15930	1.7
396.13593	1.5
398.15094	1.6
400.12436	1.6
400.17029	1.6
402.14185	2.5
402.18393	2.7
404.16165	5.6
405.16867	3.4
406.17703	10.0
408.18991	1.3
414.14404	10.1
415.09756	1.3
415.15292	22.9
416.16010	25.8
417.15796	3.5
418.17679	3.6
428.15857	3.5
429.16785	1.8
430.17743	6.2
431.18442	1.3
432.15533	4.1
433.16257	5.3
434.17078	8.7
438.14389	1.9
446.17206	11.0
447.17834	3.2
448.18588	1.2
456.15469	3.4
457.15973	1.5
460.14868	1.7
474.16617	41.5
475.17407	23.2
476.18167	11.3
488.17761	1.4
506.19339	8.5
507.20029	4.2
508.20654	5.8
544.23181	1.0
547.25787	1.4
555.22174	1.7
571.25238	1.4
573.23566	7.4
597.23566	9.2
598.22021	1.1
615.24524	100.0
616.24945	5.7
647.27136	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	665.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.00309	0.5
53.03954	0.6
55.01447	0.4
55.01864	1.2
55.05466	0.3
56.67490	0.3
56.96568	0.4
61.58762	0.3
65.03937	0.9
67.05498	1.1
68.99790	1.7
69.03430	0.4
69.07063	0.7
70.88439	0.3
77.03972	0.3
79.01845	2.0
79.05502	3.1
81.07058	0.7
91.05483	1.0
93.03421	1.0
93.07023	0.6
95.04976	3.0
95.08610	0.8
97.02897	0.8
105.07031	0.5
107.01319	0.5
107.04961	5.4
107.08583	0.4
107.21311	0.3
115.05487	0.3
117.03363	1.3
119.04977	0.7
120.02084	0.9
121.02869	1.5
121.06506	0.3
121.10167	0.4
122.06030	0.5
123.04472	2.0
124.07558	0.5
125.02361	1.1
130.08702	0.5
131.04913	0.5
135.04430	11.1
136.07594	0.5
137.02330	0.7
138.03142	0.4
139.03915	19.2
140.04741	0.7
140.07066	1.1
143.03426	2.0
145.02841	2.1
147.04399	1.5
148.01546	0.4
151.03926	2.1
153.01846	26.1
153.02950	2.4
153.05463	5.3
155.07037	5.9
157.12392	0.4
159.04405	0.9
161.06001	0.7
163.03920	17.5
165.01805	0.8
166.02599	0.9
167.07019	1.2
173.02237	0.4
174.03136	0.3
175.03928	0.8
177.05437	0.5
179.03455	0.8
179.06931	0.4
181.04973	13.6
181.39914	0.3
183.04376	0.3
184.03717	0.7
187.03810	0.4
189.05589	0.4
191.03409	100.0
192.03824	1.5
199.14648	0.4
203.03400	8.6
203.05214	0.7
204.06638	0.6
205.05000	2.1
206.08266	0.4
207.06531	2.8
208.09688	0.7
213.10216	0.4
215.03461	0.4
225.10213	0.3
259.10788	1.2
261.07608	0.8
263.11746	0.4
267.06580	0.4
271.06012	0.6
285.12363	0.6
287.10089	0.4
291.05045	0.3
297.07672	0.4
301.11902	0.9
303.08640	2.8
303.13568	0.5
309.11935	0.4
311.10080	0.3
313.11807	1.1
315.04938	0.9
315.08524	0.7
319.12997	1.5
323.05441	0.6
333.06006	0.4
337.13925	0.5
341.06543	4.9
345.09729	32.4
346.10052	0.7
357.09625	1.9
359.07599	2.5
373.14108	0.7
415.23849	0.7
417.15024	0.4
453.11816	0.7
495.12927	6.2
508.20749	0.7
513.13861	0.6
524.19995	0.5
615.24200	2.7
633.25073	0.8
647.28088	1.0
665.30017	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48246	2.2
53.03940	5.6
54.35857	2.2
55.01868	4.8
55.05511	40.8
57.03449	14.3
57.07076	14.4
59.04968	2.6
65.03934	6.7
67.05506	100.0
69.03416	5.6
69.06734	3.7
69.07071	51.1
69.41597	18.2
71.04979	2.7
71.08633	5.2
79.05081	4.1
79.05497	61.0
79.69006	2.3
81.07056	86.9
83.04996	4.5
83.08618	24.7
83.94418	2.4
85.06542	5.2
87.04471	4.2
89.65622	2.0
91.05482	45.4
93.07051	51.2
95.04958	7.8
95.08612	66.9
97.06518	8.9
97.10183	25.8
98.21462	5.4
99.08069	5.5
105.07028	35.3
107.04956	3.4
107.08600	45.2
109.06517	6.3
109.10159	30.1
111.08056	4.0
117.07027	12.2
119.08588	31.2
121.10146	18.9
123.08144	3.3
123.11681	8.4
125.09699	15.9
129.06987	5.7
131.08563	19.5
133.10153	24.6
135.08064	4.3
135.11687	13.9
140.49699	2.5
143.08539	6.6
145.10123	18.1
147.11679	18.5
149.09612	8.6
149.13254	8.9
151.11232	2.4
155.08633	2.1
157.10147	4.7
159.11685	13.0
161.13249	10.5
163.11186	4.6
163.73573	2.2
167.88835	2.1
169.10161	2.7
171.10330	2.9
171.11710	6.0
173.13295	8.7
183.11678	3.6
185.13231	7.8
187.14743	3.6
189.11269	7.8
203.14345	4.7
219.17368	2.7
227.12785	37.9
229.19492	3.2
239.17941	6.4
245.22682	3.4
255.15906	3.1
257.18933	16.1
269.17505	5.3
275.20084	31.5
327.07657	5.8
328.08173	4.6
331.22589	4.0
335.25708	5.2
337.27374	61.8
349.23660	19.9
383.13968	3.1
384.14459	3.2
433.32977	3.3
438.79120	2.2
439.19925	4.2
440.20532	5.3
491.37439	4.8
496.26904	6.5
507.36871	8.9
517.38849	4.1
529.38763	7.9
531.40619	5.1
548.42816	4.8
552.32959	7.8
607.38330	3.1
608.39270	6.2
611.46570	28.8
629.47180	4.5
646.49591	4.2
664.50122	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	665.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.00308	0.9
53.03947	0.6
55.01860	1.7
55.05510	0.7
65.03916	0.8
67.05512	1.0
68.99788	1.6
69.07090	0.9
69.25572	4.0
70.06594	0.5
73.09126	0.4
79.01873	2.4
79.05495	3.9
81.07069	0.9
84.08149	0.5
87.04469	0.5
89.03893	0.4
91.05503	1.2
93.03410	0.8
93.07073	1.0
95.04980	3.0
95.08603	0.8
97.02904	0.9
101.32190	0.4
103.05463	0.5
105.07030	0.8
107.01315	0.7
107.04961	4.4
107.08631	0.5
109.10149	0.6
111.04452	0.6
117.03425	0.7
119.04967	0.7
119.08596	0.7
120.02076	0.8
121.02871	1.8
121.06519	2.8
122.06012	1.0
123.04435	1.4
124.07600	0.5
125.02348	1.7
125.05984	0.5
126.39211	0.4
133.10130	0.7
135.04431	12.9
137.05998	0.8
139.03914	24.1
140.04529	0.4
140.07076	1.1
143.03384	3.3
144.08170	0.5
145.02844	2.3
146.03607	0.4
146.06013	0.6
147.04443	2.9
148.01534	0.6
148.07559	0.4
149.05984	0.7
151.03923	2.2
153.01848	35.7
153.02942	2.5
153.05453	5.6
155.07042	4.6
159.04472	0.5
161.06058	0.6
162.91824	0.4
163.03922	21.1
165.01872	0.8
166.02621	1.1
167.07100	1.5
172.03957	0.5
175.03899	2.2
177.01817	0.6
177.05551	1.6
178.04965	0.8
179.03398	1.4
179.07115	0.6
181.04974	18.5
183.02879	0.5
191.03410	100.0
192.03773	1.4
199.07625	0.5
201.05518	0.6
203.03407	14.3
204.06583	0.6
205.04977	3.4
207.06482	3.5
215.03494	0.7
215.11742	0.5
249.10144	0.5
259.10776	2.1
261.07553	0.6
263.11914	0.6
265.09695	0.6
271.06015	0.9
289.07394	0.5
290.10141	0.5
295.06174	0.4
295.10898	0.4
297.12332	0.5
301.11850	2.0
303.08636	2.8
303.13470	0.9
313.11850	1.5
315.05167	0.9
315.08719	1.5
319.12912	2.7
323.05472	1.2
331.12872	0.6
337.14172	0.8
341.02710	0.7
341.06622	5.7
345.09729	26.7
346.10321	0.5
351.09912	0.4
357.09787	2.3
359.07721	5.3
373.13870	1.0
416.21030	0.5
417.09329	0.6
453.11917	1.1
471.90738	0.4
474.16434	0.5
477.11377	0.6
495.12802	5.2
508.20615	1.1
511.09143	0.4
513.13794	0.7
615.24371	1.9
633.25641	1.2
665.28699	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.9
57.03436	13.1
57.07078	27.7
59.04996	4.3
61.02914	4.9
65.03915	1.9
67.05507	72.3
69.03438	1.7
69.07063	6.3
70.33979	1.1
70.34299	2.4
71.04997	2.5
71.08633	19.5
73.02936	1.2
75.02473	1.0
79.05482	2.8
81.07058	17.1
83.08629	11.2
85.02906	3.0
85.06548	2.4
85.10187	9.7
87.04450	1.4
89.06042	1.1
91.03954	2.5
91.05485	4.0
93.07023	3.0
95.08604	16.7
97.02889	1.8
97.10179	3.6
100.00698	0.9
107.08577	1.8
109.10159	65.8
111.08125	2.4
119.08592	5.7
123.11729	2.0
137.09607	3.2
144.07674	1.0
155.10686	5.7
163.15092	1.0
173.11755	18.6
173.13187	1.9
177.40742	1.1
229.14352	100.0
239.23798	1.9
257.24728	1.0
313.27377	83.3
467.37354	60.0
468.37265	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.2
55.05508	32.9
57.03433	13.8
57.07075	8.7
65.16095	3.3
67.05503	96.1
69.03430	4.1
69.07072	33.3
69.86727	18.0
71.04967	3.8
71.08633	3.7
76.65044	4.0
77.09238	3.4
79.05492	44.3
80.57459	3.2
81.07053	100.0
83.04997	7.2
83.08607	16.1
87.15537	3.2
91.05485	35.9
93.07043	53.2
95.04971	7.5
95.08609	56.3
96.32162	3.4
97.06498	10.4
97.10171	8.5
98.20829	4.2
98.98472	20.7
105.07038	22.7
107.08604	24.6
109.06495	4.0
109.10159	23.4
117.06999	9.6
119.08588	18.6
121.06519	3.6
121.10134	14.1
123.11687	8.3
129.07048	4.3
131.08557	12.8
133.10147	17.6
135.11707	15.7
145.10132	9.7
147.11626	10.6
149.13249	11.1
159.11685	11.3
161.13205	5.2
163.11177	4.9
171.11667	4.5
173.13173	4.7
174.99229	3.9
181.12262	4.4
212.58479	3.8
216.96811	3.9
222.00844	3.5
226.46349	3.4
239.17982	4.4
247.20732	3.8
255.15918	16.2
257.18884	7.1
259.52188	3.6
263.23694	4.4
269.17487	19.2
275.20056	18.6
304.84717	3.7
327.07773	14.3
337.27411	60.9
349.23773	10.3
375.69235	3.9
470.47345	3.8
496.26968	5.8
517.38623	10.7
531.40405	69.1
552.33051	7.0
573.59888	4.5
608.39325	5.1
611.46655	7.0
629.46918	4.1
664.47504	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	663.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	46.6
57.07341	2.0
57.07477	1.5
69.86648	2.3
77.03606	0.7
77.03993	1.2
79.05469	0.9
81.07014	1.0
87.04433	0.7
91.05489	5.5
93.07012	0.6
95.04936	1.0
105.06986	2.3
109.10133	0.9
117.07032	0.5
117.21165	0.6
119.08526	1.6
129.38470	0.5
132.09309	0.8
133.10193	0.6
144.01112	0.5
147.11705	5.2
153.07019	3.4
215.02470	0.7
228.09309	1.6
229.10103	1.4
233.03598	6.6
245.03438	0.6
251.04688	17.0
251.07297	1.0
307.10873	1.3
327.07806	100.0
328.08087	1.7
383.14066	72.2
384.14459	1.2
439.20370	65.7
440.20932	1.2
495.26596	73.3
496.26895	2.5
496.43488	0.6
551.32861	91.8
552.33026	2.5
571.42804	0.6
607.39105	59.1
608.39197	1.5
648.43042	0.8
663.45380	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	663.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.9
53.03950	0.4
53.23241	0.3
55.01879	0.4
55.05511	1.8
55.46152	0.3
57.07076	0.4
59.05001	0.5
65.03946	1.6
67.05524	1.9
68.99808	1.7
69.03428	0.9
69.07071	2.1
69.69816	1.9
71.05006	0.5
77.03922	0.4
79.05482	1.6
81.07060	6.5
83.04972	1.1
83.08614	0.9
85.06547	0.6
91.05482	1.0
93.03415	0.5
93.07040	3.7
95.04975	2.7
95.08609	3.7
97.02937	0.5
97.06512	0.6
97.10152	1.7
105.07043	2.2
107.08580	2.5
109.06522	0.7
109.10171	2.8
111.00806	1.8
111.04442	1.8
111.08093	0.9
111.11743	0.5
117.06989	0.4
119.08599	2.1
121.02864	1.0
121.06521	0.6
121.10154	3.2
123.04462	2.2
123.11716	3.2
125.09541	0.4
127.03938	1.8
131.08586	0.7
132.65048	0.4
133.10132	1.0
135.04437	1.1
135.11685	2.4
137.09633	0.4
137.13283	0.8
139.03908	100.0
139.11185	1.5
140.04263	0.6
145.10144	1.1
147.11667	2.2
149.06004	0.8
149.13251	0.6
151.03920	4.9
151.14653	0.3
153.01833	1.4
153.05470	0.7
153.12752	1.1
157.12277	0.7
159.11665	1.2
161.05994	0.6
161.13239	1.0
163.03909	8.7
163.11218	0.8
165.12735	0.7
171.13715	0.5
173.13318	0.5
177.05440	0.6
177.12746	0.4
179.07092	1.7
181.04974	0.7
184.01256	0.3
187.03999	0.4
187.13344	0.8
187.14851	0.5
205.04973	5.1
229.04953	0.4
247.05898	0.6
251.16490	0.5
261.03915	0.5
271.06070	0.8
275.23621	1.1
285.22171	0.5
289.07089	14.0
291.23126	1.0
293.24802	1.1
301.07199	0.4
303.23199	8.5
307.07996	0.5
309.24298	0.7
321.24268	3.4
339.25244	1.0
352.59357	0.3
361.09512	0.4
627.81152	0.3
686.00018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.1
55.05502	3.7
59.60205	2.2
60.64896	2.1
65.03963	2.7
67.05497	8.6
69.03422	3.2
69.07069	7.8
71.50606	3.1
72.08142	3.6
75.38915	2.2
79.05505	5.5
79.16125	2.1
81.07047	9.5
83.04971	2.2
83.69743	2.1
84.08147	3.0
91.05485	3.4
93.07043	7.1
95.04975	6.0
95.08583	10.4
97.02906	3.0
97.10176	2.2
105.07083	5.2
107.08616	4.1
109.06580	2.5
109.10155	4.3
111.08107	2.5
119.08617	4.8
120.08128	2.5
121.06499	4.7
121.10139	4.7
122.06008	6.0
123.04484	2.8
123.11741	2.9
125.09667	2.8
133.10091	3.3
135.11684	2.6
139.03912	59.3
140.04280	10.8
140.07066	9.3
141.04440	3.1
145.10152	3.0
146.06070	2.6
147.04410	2.3
151.03944	5.1
151.07515	3.1
153.01871	15.1
159.11699	2.8
163.03900	5.3
172.03969	5.3
174.05470	3.8
177.05652	2.5
204.06583	8.7
205.04970	2.8
206.08235	3.7
213.10350	2.5
222.11554	3.4
235.86598	2.1
236.09235	3.8
237.10139	3.3
239.11952	2.5
239.63416	2.0
247.08549	4.2
248.09451	6.4
249.10297	17.8
250.11061	6.3
251.11797	5.0
252.08826	2.2
257.12863	2.7
261.10147	5.0
262.10980	5.2
263.11829	68.9
264.09607	2.1
264.12506	8.3
265.09720	3.6
265.13388	8.0
277.09799	14.7
279.11328	26.2
281.12805	6.7
282.13663	8.9
289.06995	5.4
289.09869	3.1
290.10504	3.4
291.11276	30.7
292.11963	4.5
293.12747	3.2
294.09857	3.0
295.10864	12.2
295.13828	3.3
296.11606	3.3
303.23224	2.7
307.10724	6.6
308.11526	3.3
309.12350	56.4
310.13101	4.1
313.11786	2.5
318.10034	5.7
323.13904	44.4
325.11478	2.8
335.10281	3.2
336.11011	38.8
336.14752	1.4
337.11774	19.7
338.12531	4.1
341.14865	10.4
345.14474	7.2
351.13297	5.4
367.12970	29.9
368.13681	42.6
369.14468	100.0
370.15121	8.5
399.15256	3.7
400.16141	3.1
414.17926	2.5
476.18350	4.9
478.19376	11.4
490.19775	6.1
491.20447	6.0
508.15024	2.8
508.20813	71.5
509.21356	5.6
510.22391	22.7
540.23456	58.2
541.23914	4.3
599.24847	10.4
613.24512	2.5
631.27985	10.7
645.26782	2.9
663.28192	7.6
663.38177	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	663.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11145	1.0
56.42045	1.0
56.64739	0.9
61.74485	1.3
64.42675	1.1
67.05488	1.9
68.65388	1.2
69.03434	1.8
69.07063	3.9
69.76236	4.9
75.13430	1.0
76.00256	1.0
78.46663	1.1
79.05498	1.8
81.07059	2.6
83.47205	0.9
89.88184	1.2
89.93361	1.0
91.05483	1.3
94.06561	1.5
95.05011	1.6
98.21486	2.0
105.06998	1.0
107.08607	1.5
109.10144	1.6
119.08615	1.4
121.10170	1.1
122.06057	5.5
123.04418	1.4
139.03928	5.5
140.04208	1.2
140.07050	2.7
153.01825	2.2
160.07593	1.0
163.03908	2.1
165.05510	1.9
166.05881	1.8
175.14751	1.8
176.15242	1.3
199.08775	1.4
204.92805	1.1
211.08632	2.3
213.10135	1.2
221.10687	2.2
223.08685	1.7
235.08640	5.7
236.09409	2.6
237.10225	5.4
247.08893	1.4
248.09480	3.1
249.10251	19.4
250.11024	4.5
251.11807	16.2
252.12517	2.9
255.11292	1.5
261.10294	2.6
262.10925	1.6
263.08167	3.2
263.11893	6.5
264.09195	1.1
264.12469	1.7
265.09680	5.2
265.13260	2.7
273.10117	1.3
277.09698	13.3
278.10538	2.8
279.11310	6.5
281.09265	2.5
283.10428	1.2
291.11273	2.6
295.10800	4.6
297.12372	2.2
300.11929	1.4
301.12509	1.5
309.12363	8.0
310.13165	4.3
311.13922	4.8
312.14954	1.5
313.12131	2.5
314.12860	1.7
315.10431	1.4
315.13821	1.9
316.11075	1.9
316.14438	3.4
323.10294	6.8
323.13922	4.7
324.14825	2.1
325.12177	1.5
325.15909	1.7
326.16660	3.9
327.14279	1.4
328.10800	5.3
328.14615	3.9
329.11612	5.7
330.12656	2.4
330.16006	1.3
331.13513	1.2
333.09784	1.6
334.10141	2.1
335.10361	1.7
338.13010	2.6
339.13943	3.1
340.14392	4.1
341.12006	3.1
342.12427	8.0
342.15991	1.9
343.13235	6.9
344.10291	1.3
344.13943	13.3
344.17664	1.5
345.14523	2.3
346.15488	1.5
352.14471	3.0
354.12219	2.1
354.16092	2.8
355.13086	7.8
356.13950	11.6
357.14865	3.0
358.11624	2.2
358.15457	5.7
367.13132	1.9
368.13931	4.6
370.11731	4.0
370.15695	3.2
371.12573	2.0
371.16705	2.6
372.13098	7.1
372.17197	3.9
373.17798	3.7
380.13919	1.6
382.11334	1.7
382.15494	3.8
383.12341	1.6
383.16476	3.4
384.13177	5.9
384.17554	1.5
385.13983	2.2
385.18188	1.8
386.14536	8.3
386.18863	4.5
387.11780	1.6
388.12622	2.1
388.16980	1.5
396.13617	5.0
398.15060	4.4
399.16348	5.1
400.12085	5.9
400.16675	4.8
402.14581	3.3
403.15369	1.8
404.16068	4.0
412.12747	1.9
414.13837	9.2
414.18921	2.5
416.16074	4.9
417.16824	3.8
418.17569	4.0
426.14526	2.9
427.15073	1.8
428.16281	8.1
430.13489	3.3
432.14957	5.7
433.16147	1.8
442.17984	8.1
444.15546	3.8
445.16473	5.0
446.17197	6.8
454.13693	7.4
455.14749	3.5
456.15335	2.6
460.18961	17.5
472.15073	13.7
473.15857	33.5
474.16647	47.7
476.18066	8.3
477.18839	3.4
487.17609	2.3
488.18057	4.8
490.15698	2.0
492.17593	8.6
504.10849	1.7
504.17706	16.4
505.18484	100.0
506.19263	40.5
522.18323	1.9
523.19592	14.4
524.19873	2.7
595.21674	5.3
613.23004	17.7
614.23187	1.4
627.24750	5.6
631.23798	1.9
645.25543	23.5
663.26398	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	663.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21265	1.0
55.05513	2.1
57.14199	1.1
63.17690	0.9
67.05489	1.3
69.03452	1.1
69.07060	2.1
69.37375	4.7
69.37783	2.3
70.72153	1.0
76.61448	1.1
81.07053	1.1
82.06560	1.2
91.05490	1.3
93.07044	1.3
94.06561	1.3
95.08607	1.3
100.11279	2.8
106.31699	0.9
111.04450	1.0
122.06057	3.1
128.07059	1.2
139.03941	3.0
140.07059	3.3
151.07582	1.5
153.01802	6.3
154.08617	1.0
162.44640	0.9
165.05457	1.4
167.53210	1.0
182.15382	1.6
191.07176	1.3
200.26926	0.9
203.46745	1.2
208.09766	1.0
209.10794	1.3
221.10826	2.3
222.11661	1.1
223.12215	2.4
229.37442	1.1
235.08701	4.2
236.09448	2.2
237.10301	3.7
247.08786	2.4
248.09457	1.2
249.10239	27.6
250.11008	12.7
251.11797	10.0
252.12491	1.5
261.10175	6.5
262.11020	2.5
263.08194	6.8
263.11765	4.3
264.08932	3.1
264.12469	1.6
265.09738	10.2
265.12512	1.4
266.10513	1.4
267.11136	1.6
277.09729	29.7
278.10492	20.2
279.11292	20.6
280.12064	1.6
281.09207	4.1
289.09827	1.6
291.07681	4.6
291.11313	4.5
292.08801	1.3
292.12091	3.7
293.09470	2.0
293.12866	9.4
294.13535	1.1
295.10797	3.4
296.11420	1.1
297.12445	2.0
301.12250	1.0
303.13559	1.7
305.09219	8.6
306.09937	4.4
307.10803	13.4
308.11685	2.9
309.08740	3.3
309.12170	2.4
311.14285	1.4
312.15015	1.4
313.12146	1.7
314.13043	1.8
321.12296	2.8
322.13217	1.9
323.10229	6.4
323.14029	3.2
324.11227	2.2
326.16614	1.1
328.11115	2.3
330.12802	1.9
333.08774	7.5
334.09460	2.4
337.11902	4.7
338.12704	1.3
339.13486	20.8
340.14224	1.3
342.12491	3.4
343.13089	2.4
344.13892	3.2
349.11554	2.5
351.09744	16.3
352.10635	3.8
354.12259	2.3
354.16202	1.7
355.13275	3.7
356.14011	7.7
357.14767	1.7
358.15494	2.4
365.11374	2.3
366.12128	44.8
367.12912	100.0
368.13641	3.5
369.11069	1.5
370.11740	2.4
370.15652	3.5
371.12601	1.5
372.13123	2.0
372.17145	3.1
373.17938	1.9
380.14093	1.5
382.11594	2.2
382.15778	1.8
383.12674	3.5
384.13290	7.2
385.14035	2.9
386.15033	4.7
396.13547	2.9
398.15057	4.5
399.16028	5.0
400.16940	5.4
401.17401	2.7
402.14468	2.7
410.15283	1.2
412.13000	2.6
414.14240	7.4
416.16232	1.8
417.17126	2.4
418.17801	1.1
426.14456	6.7
427.15240	2.4
428.16187	7.5
430.13947	3.2
432.15414	1.8
444.15497	4.0
445.16547	4.8
446.17111	3.2
454.13770	6.6
455.14584	2.6
456.15552	2.4
458.13177	1.7
460.18723	3.4
472.14960	11.9
473.15851	33.3
474.16681	19.6
476.18137	3.3
477.19269	1.5
490.15817	1.9
491.16656	5.0
492.17581	7.2
501.19644	2.0
504.17609	4.5
505.18478	20.3
506.19260	53.0
507.19894	4.1
522.18628	3.3
523.19592	6.9
524.20325	11.5
595.21643	3.6
613.12964	2.0
613.22931	31.3
627.24048	1.8
631.24042	9.2
645.25433	8.7
662.50317	2.9
663.26288	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	662.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	15.0
57.07053	16.2
67.05523	31.9
68.03023	5.4
69.07037	9.6
69.29166	21.7
69.29588	32.6
71.08612	16.8
79.05477	23.8
79.77612	5.9
81.07054	38.7
82.65810	7.3
83.04965	6.2
83.08635	7.3
87.04473	100.0
87.86355	5.7
89.06003	7.9
91.05489	29.3
93.07053	34.9
95.08586	14.7
105.07033	32.6
107.08590	20.0
109.06497	6.4
109.10148	7.4
110.20750	6.6
117.38832	5.7
119.08556	18.8
121.06561	6.5
121.10126	15.7
129.07057	6.7
131.08540	15.3
133.10056	10.2
135.11699	11.4
142.30370	5.9
147.11679	12.5
159.11647	7.9
171.11790	8.0
173.11967	6.6
179.14311	11.4
181.03300	6.6
222.08777	6.0
259.20551	9.4
277.21564	20.2
283.44409	6.2
293.21033	7.1
333.24393	12.7
351.25250	9.3
365.44150	6.0
609.44879	22.0
644.45258	7.4
662.45740	12.5
688.61670	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	662.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	12.9
55.01868	9.6
55.05516	46.6
57.03448	16.7
57.07078	7.8
65.03915	3.4
67.05513	100.0
69.03448	3.9
69.07075	40.2
70.63692	6.7
70.64063	7.4
71.04990	5.6
79.05120	2.3
79.05495	85.4
81.07066	79.9
83.04988	7.6
83.08621	23.6
85.06544	7.9
87.04469	16.1
91.05486	61.9
93.07044	87.0
94.38799	3.3
95.04975	8.5
95.08620	65.8
95.09216	2.4
97.06551	11.6
97.10179	23.6
105.07030	51.8
107.04984	5.5
107.08603	53.4
109.10179	29.2
111.08102	5.7
113.09637	4.2
117.07034	21.6
119.08587	40.0
121.06493	6.1
121.10170	31.4
123.11709	8.2
125.09651	31.1
129.07001	8.9
131.08565	24.5
133.10155	25.2
135.08061	6.0
135.11729	17.0
143.08578	7.0
145.10155	25.3
147.11696	14.3
149.09625	13.7
149.13278	8.6
151.11166	4.2
157.10164	7.7
159.11719	20.3
161.13228	9.2
163.11200	7.2
169.10165	5.1
171.10255	3.2
171.11740	6.3
173.13289	10.7
175.14874	4.4
179.14267	3.4
185.13301	7.0
187.14854	4.7
189.11269	11.2
194.26106	3.5
198.39288	3.2
201.16298	5.1
213.07819	3.0
227.12811	47.8
230.53033	3.7
239.18002	6.2
257.19128	14.7
261.22119	16.6
269.17358	3.4
275.20056	43.6
335.25827	74.7
349.23837	40.0
505.35153	12.2
513.39044	6.0
546.41833	7.9
608.84631	3.4
609.44946	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.4
55.01875	9.8
55.05516	67.4
57.03434	7.4
57.07079	9.8
65.03946	3.6
67.05181	6.3
67.05511	80.9
69.03439	6.8
69.07069	31.8
71.21374	6.7
79.05493	100.0
81.07057	81.2
83.04980	9.0
83.08631	32.8
85.06565	5.7
87.04477	54.0
91.05490	50.3
93.07047	73.8
95.04977	6.1
95.08607	49.6
97.06519	6.4
97.10175	66.7
105.07033	40.2
107.04985	4.1
107.08602	77.8
109.06474	5.3
109.10162	30.3
111.08088	5.1
117.07025	12.0
119.08588	26.1
121.10140	30.6
123.11705	10.5
125.09629	48.8
131.08543	23.5
133.10132	22.6
135.08098	8.3
135.11707	21.6
145.10138	21.0
147.11714	16.7
149.09642	10.0
149.13261	6.2
159.11713	10.2
161.13248	8.6
163.11174	3.8
173.13310	7.0
175.14928	5.4
189.11220	31.9
227.12781	91.3
227.14932	5.7
243.21092	5.6
257.18985	7.1
259.20575	5.3
261.22125	17.2
275.20102	43.3
277.21448	4.1
278.92017	3.4
296.79871	3.6
335.22043	6.1
335.25861	76.8
335.29916	6.1
336.25797	4.5
349.23801	35.3
437.58148	3.9
505.35297	47.0
609.45245	45.7
662.03717	4.4
662.46118	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	662.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.1
55.01873	6.1
55.05516	28.4
57.03442	16.4
57.07061	9.5
57.74833	2.3
59.32606	2.5
65.03936	6.7
66.04726	2.7
67.05510	88.8
69.03430	3.5
69.07076	31.3
71.04984	4.5
71.22543	4.7
79.05499	77.0
81.03443	5.0
81.07061	100.0
83.04975	9.5
83.08628	17.6
85.06516	5.0
85.65002	2.4
87.04481	22.9
91.05484	54.8
93.06487	5.1
93.07047	79.8
95.04945	11.4
95.08064	4.5
95.08614	60.3
97.06521	11.5
97.10166	5.2
99.08093	4.7
105.04481	3.3
105.07030	36.0
107.04971	3.5
107.08598	45.3
109.06519	7.3
109.10167	21.8
111.08118	5.6
117.07027	15.4
119.08580	25.8
121.06519	4.7
121.10140	33.6
123.08055	3.5
123.11711	6.5
127.93034	2.5
129.07018	5.9
131.08562	27.7
133.10144	29.0
135.07990	3.5
135.11688	27.7
137.09607	4.2
139.11234	3.0
145.10146	18.6
147.11714	16.3
149.09613	6.9
149.13263	21.6
155.08531	2.9
157.10074	5.3
159.11688	15.8
161.13232	7.5
163.11195	3.6
173.13275	9.8
175.14810	3.5
177.12753	4.5
181.24940	2.7
183.11690	3.8
187.14839	4.5
195.13850	3.8
197.13174	3.0
247.20583	3.5
255.15916	10.5
257.18994	6.1
259.20865	2.8
261.22214	12.8
269.17468	18.8
275.20029	22.7
300.06546	2.5
335.25839	81.8
349.23611	12.0
352.03589	2.4
367.24707	3.4
471.96265	2.8
515.37488	17.3
529.38959	80.0
569.42285	3.6
606.28766	4.2
609.44806	10.6
678.74768	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	662.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43634	1.5
57.07074	3.1
60.41262	1.4
67.88843	1.5
69.22472	16.9
87.04471	19.2
89.74590	1.6
108.01736	1.9
111.38157	1.6
129.95795	2.1
143.13651	1.7
210.78119	1.7
238.51566	1.7
277.21555	2.2
389.17877	1.9
403.19467	4.1
405.17099	2.1
416.20267	1.9
417.21030	4.0
418.21820	2.2
431.18576	6.0
433.23911	6.8
434.47638	1.8
443.18463	2.4
444.19492	7.6
445.20395	7.5
446.17291	5.8
447.17551	8.4
459.21817	57.0
460.22546	12.7
461.23306	7.1
473.23291	5.4
475.21555	16.6
476.21646	4.4
477.22714	2.0
487.25351	3.3
505.26495	3.2
519.23444	7.9
531.23932	3.7
533.21674	2.2
535.23315	3.4
545.25256	3.4
546.26434	3.1
547.27295	26.8
574.25415	3.4
591.25922	5.0
593.23639	7.4
605.27484	5.9
606.28406	100.0
607.28668	8.5
622.27869	60.7
623.28229	3.4
662.29877	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	661.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.5
53.03945	0.2
55.01871	0.5
55.05513	1.5
55.86806	0.2
61.22720	0.2
65.03951	1.6
67.05510	1.2
68.99789	1.2
69.03423	0.8
69.07072	1.9
69.38473	1.4
71.01354	0.2
71.04974	0.5
79.05486	1.2
81.03416	0.3
81.07062	3.0
83.04983	0.9
83.08618	0.4
85.02904	0.5
85.06534	0.5
91.05495	0.7
93.03416	0.4
93.07059	2.6
95.04969	0.9
95.08607	2.6
97.02876	0.3
97.06563	0.6
97.10175	2.7
99.04469	0.2
104.42827	0.2
105.07048	1.3
107.04996	0.6
107.08599	2.3
109.06511	0.6
109.10181	1.6
111.00833	1.2
111.04453	2.3
111.08077	0.3
111.11703	0.5
117.07018	0.3
119.08587	1.4
121.02892	1.4
121.06512	0.6
121.10149	2.6
123.04428	2.2
123.08054	0.4
123.11728	1.0
125.09633	0.6
127.03927	1.3
131.08601	0.4
133.06453	0.2
133.10136	0.8
135.04410	0.6
135.08044	0.3
135.11711	1.7
136.07574	0.3
137.05949	0.4
137.09615	0.8
139.03909	100.0
139.11183	1.6
140.04224	0.9
143.10686	0.7
145.02863	0.2
145.10138	1.2
147.08066	0.3
147.11703	0.7
149.06009	0.7
149.09622	0.5
149.13269	0.8
151.03909	5.1
151.07478	0.2
151.11130	0.4
153.01810	1.7
153.05498	0.6
153.12694	0.4
155.10707	0.2
157.10121	0.4
157.12206	1.0
159.04469	0.2
159.11703	0.7
161.06020	0.4
161.09608	0.4
161.13257	0.4
163.03911	6.6
163.11208	0.9
165.05513	0.2
165.09143	0.9
166.09512	0.5
167.07097	0.3
167.10730	0.2
171.13770	0.2
173.13315	0.3
175.11198	0.4
175.14857	0.3
177.05484	0.5
177.12697	0.2
177.16406	0.5
179.03450	0.2
179.07072	1.2
179.10716	0.4
181.04984	0.6
181.12238	1.0
191.07106	0.2
195.13811	0.2
197.05948	0.2
199.14952	0.2
201.05461	0.3
203.06947	0.2
203.12709	0.2
203.14403	0.4
205.04984	3.4
215.07088	0.2
247.06084	0.3
251.08084	0.2
252.73334	0.2
261.04013	0.3
265.09378	0.3
271.06131	0.6
273.22021	0.4
275.20193	0.4
287.05722	0.3
289.07074	12.9
290.07480	0.2
291.23233	0.9
293.21066	1.3
301.07129	0.5
301.21628	2.2
302.21976	0.2
307.07919	0.3
307.22739	0.3
319.22702	2.5
337.23865	1.7
399.15518	0.8
457.25897	0.3
476.18173	0.3
489.18817	0.2
607.28973	0.3
661.36395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	3.3
69.07061	1.5
69.39108	2.1
69.39510	6.8
79.05489	1.5
81.07061	2.7
84.08116	1.0
85.51115	1.0
91.05481	3.3
93.07043	2.6
94.06563	2.8
95.08624	1.8
96.41859	1.0
98.21474	2.4
105.07036	1.8
106.06562	2.7
107.08602	1.4
108.08092	1.5
109.10136	2.0
119.08563	1.8
120.04482	1.4
120.08111	2.0
121.10116	1.3
122.06039	12.0
132.08121	1.5
133.10100	1.0
134.06010	1.8
136.07599	15.0
139.03914	7.5
140.07045	2.2
145.10118	1.5
146.06024	7.8
148.07607	8.7
150.09122	1.3
150.71425	1.0
151.07504	2.1
152.07043	3.2
153.01878	3.2
164.07091	12.9
166.08653	13.3
172.03926	4.6
173.04678	2.1
174.05531	4.4
176.07092	16.1
190.04997	3.2
204.06606	6.7
206.08130	2.0
208.09796	1.4
209.10684	1.6
210.11511	1.8
211.12389	2.6
218.08215	1.9
221.10742	1.7
223.12366	1.6
224.09367	1.4
224.13049	1.5
225.10208	3.8
227.11842	1.9
235.12309	3.0
236.09581	1.2
236.13139	1.7
237.10204	8.6
237.13907	2.5
238.10983	13.0
239.11803	13.6
241.09592	1.9
243.11354	1.4
246.07500	1.5
248.09337	2.7
249.10161	5.5
250.11014	3.1
251.11836	11.3
253.13376	3.0
255.11182	1.8
261.10303	2.4
263.11813	14.6
264.09027	1.8
264.12640	3.1
265.09836	5.5
265.13376	23.1
266.10742	2.0
266.13950	1.7
267.11508	5.9
271.14459	8.6
277.09744	5.0
277.13263	2.4
278.10602	4.5
279.11310	100.0
280.12006	6.6
281.12808	4.1
283.10739	3.6
283.14096	1.5
285.12241	3.8
287.13931	2.7
289.11871	2.1
289.15350	1.8
291.11188	3.8
292.12042	1.5
293.12811	6.1
295.10840	2.6
295.14243	1.5
296.11639	3.7
297.12338	60.0
298.13055	7.7
299.13943	1.8
309.12344	29.1
310.13068	19.8
311.13867	4.1
313.11716	1.8
315.13278	4.0
317.14990	1.5
319.10846	4.0
321.12421	11.0
323.10431	2.2
324.11108	3.0
325.11865	5.0
331.04666	2.4
332.04886	2.8
333.04767	1.2
337.11862	46.7
338.12662	18.9
339.13440	59.5
340.14105	3.0
341.11203	4.1
343.13028	2.2
344.13892	1.5
358.15762	1.4
359.12479	2.1
369.14651	11.0
370.15359	2.7
371.16049	38.3
373.13870	3.2
400.16647	2.4
402.17719	1.8
416.29987	1.2
418.17664	1.7
442.17368	5.3
456.15482	1.3
460.18713	55.3
461.19287	4.5
466.19757	4.3
478.19681	3.5
489.18823	2.1
494.19424	1.5
506.19333	43.1
507.19931	4.2
508.20813	10.0
514.25854	1.2
538.22034	13.8
597.23383	1.2
611.24976	3.3
629.26184	40.4
630.26685	1.9
661.28247	2.2
690.05646	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12112	0.2
54.10365	0.2
55.05497	0.4
55.91916	0.3
69.07067	0.6
69.45090	0.5
69.45496	1.5
70.06564	0.4
79.05488	0.5
81.03397	0.2
81.07054	0.6
85.02913	0.3
85.06522	0.3
91.05487	0.5
93.07039	0.4
95.04996	0.4
95.08594	0.5
98.21474	0.4
98.61713	0.2
105.07040	0.4
107.04945	0.3
107.08590	0.5
109.02854	0.2
109.10164	0.7
119.08570	0.4
122.06045	0.5
123.04417	0.3
123.11674	0.4
127.03852	0.3
133.10054	0.4
134.05989	0.4
137.05963	0.5
139.03920	3.4
140.07155	0.3
151.03978	0.3
152.07094	1.0
153.01816	2.2
158.91437	0.3
159.11740	0.5
170.97775	0.3
177.05646	0.3
181.04906	1.8
189.09120	0.4
194.08127	1.5
223.12341	0.8
235.08701	1.2
236.09396	0.6
237.10172	1.4
238.10873	0.6
249.10242	7.6
250.11087	2.2
251.08234	1.1
251.11813	3.2
252.12650	0.5
253.13683	0.3
261.10229	0.9
262.11084	0.4
263.08148	0.6
263.11862	0.9
264.08954	0.7
265.09753	8.3
265.12738	0.5
266.10178	0.4
277.09750	3.6
278.10504	7.2
278.13452	0.5
279.07693	8.1
279.11304	10.4
280.12018	1.0
281.09351	0.4
281.12726	0.6
282.10046	0.7
283.10886	0.3
289.07104	0.9
289.09946	0.4
292.08398	0.4
293.09256	1.7
293.12772	9.1
294.09894	0.4
294.13449	0.4
295.10806	0.9
295.14136	0.4
296.11603	0.8
297.12384	0.6
305.09277	1.8
306.09973	0.9
307.10721	2.8
308.11551	0.8
309.12408	1.3
309.15271	0.3
310.09622	0.6
310.13211	0.7
311.10370	5.2
311.13950	0.9
319.04391	0.4
321.12296	1.1
323.10397	0.5
323.13940	1.0
324.11041	1.6
325.11862	3.9
326.12637	0.9
333.08655	2.1
337.11783	0.5
338.12454	0.8
339.13403	34.7
340.13986	0.8
341.11639	0.6
342.12366	0.4
351.09830	4.7
352.10532	1.9
353.15021	3.3
354.12201	0.6
355.13074	0.8
356.13910	1.5
364.14386	0.4
366.12094	4.7
367.12903	5.2
367.16977	0.4
368.13745	0.5
368.17825	0.3
369.14609	1.8
370.15494	1.0
380.13922	0.6
382.11734	0.6
383.12457	0.8
384.13162	2.5
384.17328	0.7
396.13727	0.3
397.13849	0.8
398.14655	4.8
398.18481	0.4
399.15521	100.0
400.15817	2.3
401.13614	1.2
412.16364	0.4
414.14584	0.5
416.16092	0.4
429.16989	0.7
430.17599	0.6
438.14584	0.3
444.19199	1.1
456.15677	0.8
457.16336	3.3
458.17111	2.2
474.16898	0.4
488.18326	0.9
489.18973	10.2
490.19614	3.0
506.19205	0.4
538.21875	18.3
539.22534	4.0
597.23492	1.4
611.24451	0.3
629.26282	1.7
661.35205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04003	1.3
53.99827	1.2
67.05489	2.3
70.06601	2.7
71.51057	1.8
81.07062	4.0
91.05481	2.3
93.07038	3.5
95.04993	1.6
97.02924	1.8
105.07075	1.8
106.25871	1.3
109.02853	2.0
115.62918	1.5
116.07115	3.7
119.08543	2.5
120.34515	1.6
121.10156	3.6
131.08560	1.3
133.10155	1.7
139.03937	1.8
139.19919	1.4
153.01851	1.7
220.83186	1.4
389.16443	1.5
392.15732	2.1
401.16327	4.7
403.17581	1.3
404.18698	2.3
415.18265	7.5
416.14996	5.5
417.19525	2.3
419.17462	2.3
425.16092	2.9
428.14566	1.6
429.15796	9.5
430.16183	3.2
431.17392	26.8
432.17935	1.9
443.13254	7.5
443.17593	7.1
444.19086	7.9
446.15860	1.5
453.15488	3.2
454.16504	3.6
457.14969	32.4
458.15558	3.7
467.17374	3.1
468.17795	5.5
469.19223	2.9
471.16660	12.4
472.17496	18.1
475.19772	4.7
481.15158	2.1
482.15912	3.2
483.16641	3.1
488.17136	1.6
489.17624	2.6
495.16891	2.3
496.17267	4.7
497.18332	10.4
498.18469	3.1
499.16122	4.0
503.19638	3.0
513.17926	1.5
514.18207	2.7
515.19305	2.9
517.21429	3.3
524.17053	5.9
528.20007	2.5
530.21783	1.6
531.19360	2.9
544.19037	1.5
556.19604	5.4
557.19995	2.0
558.21075	7.5
560.22742	3.6
569.20111	4.3
587.21558	3.1
590.23486	5.5
597.19922	7.6
601.22931	3.4
618.23279	45.7
619.23956	27.5
629.22491	40.5
630.22894	2.2
661.24927	100.0
662.25055	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	660.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.1
55.01862	9.2
55.05523	27.1
57.03435	14.7
57.07060	6.2
67.05505	86.7
69.07079	20.5
71.04983	5.0
71.08642	6.0
71.52329	6.6
79.05496	56.0
81.03407	5.0
81.07059	93.1
83.04958	11.1
83.08604	12.6
85.06545	5.5
85.26556	4.1
91.05489	64.7
93.07038	49.7
95.04980	8.8
95.08608	38.8
97.06528	12.5
98.98466	5.0
105.07031	47.0
107.04961	7.7
107.08604	48.0
109.06507	10.0
109.10156	60.5
111.08071	6.0
111.18602	4.1
117.07007	10.3
119.08582	21.4
121.06473	9.0
121.10144	16.5
123.11695	12.8
129.07051	7.1
130.07744	5.2
131.08560	14.0
133.10129	68.4
135.08051	5.2
135.11694	13.3
145.10077	9.4
147.11722	7.3
149.09634	7.6
149.13298	7.3
151.11212	35.8
155.00941	5.1
157.10181	6.1
159.11665	7.8
161.09708	5.4
175.11278	4.9
177.12756	4.3
243.21107	6.5
253.14374	100.0
261.22070	6.3
263.20135	6.0
273.18481	18.7
288.57983	4.6
291.19568	19.6
335.25818	67.8
347.22324	9.1
365.23264	19.9
413.27432	4.6
522.99957	4.6
531.36969	27.6
625.44537	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	660.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.01862	2.0
55.05514	4.7
56.05849	0.8
57.03442	1.2
57.07078	42.0
59.05006	16.9
63.89948	0.7
65.03947	1.0
65.94711	0.7
67.05499	6.9
68.05834	0.7
68.81171	0.7
69.03429	1.3
69.07079	5.5
70.06573	1.1
71.05006	1.2
71.08633	78.4
71.51612	1.4
73.02922	1.0
73.06555	4.9
79.05498	5.5
80.05817	1.2
81.03431	1.4
81.07060	7.9
82.07394	1.3
83.05000	2.0
83.08611	3.4
84.00380	0.6
85.06530	1.1
85.10186	42.7
86.92220	0.7
87.04472	15.7
89.06034	100.0
91.05492	6.2
93.07049	4.9
94.07360	1.2
95.04979	2.5
95.08623	4.7
96.05299	0.8
96.08944	1.0
97.06537	2.4
97.10193	2.1
99.08089	0.9
103.07580	8.6
105.07024	4.6
106.07410	1.0
107.04990	1.5
107.07054	1.9
107.08598	3.0
108.08942	1.2
109.06518	2.0
109.10172	2.3
110.10496	0.8
116.07121	0.9
117.07046	2.2
117.09142	3.8
119.08608	3.1
120.08950	1.1
121.06548	1.1
121.10168	1.8
122.10485	1.0
123.11739	1.1
127.14828	4.0
129.07025	1.2
130.08652	2.4
131.07018	5.0
131.08595	1.9
132.09032	0.7
133.08607	78.6
133.10213	2.8
134.10440	1.2
135.08058	1.1
135.10144	1.6
135.11655	1.2
136.11974	0.8
145.10130	1.9
146.10513	0.9
147.11716	1.4
149.09641	2.4
157.10216	1.1
157.15492	0.7
159.11737	1.7
163.11215	1.7
168.57549	0.7
171.11671	0.9
175.09717	4.5
175.11118	1.0
177.11232	32.4
184.07370	0.9
185.19022	7.7
207.17244	0.7
212.22501	0.7
219.12384	1.9
221.13844	5.3
227.13094	0.9
229.14369	0.8
229.21634	5.1
239.14931	1.6
265.16437	1.8
273.24274	0.8
275.19986	4.9
276.20511	2.6
283.17615	2.0
309.19022	1.0
327.20255	0.9
342.06921	0.7
349.23761	2.3
350.24109	2.4
353.21704	0.8
367.24820	0.7
371.22794	0.9
415.25400	1.4
459.28043	7.7
499.30936	0.8
624.43359	1.2
642.44464	1.5
643.46118	0.9
660.48767	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	660.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37267	0.8
53.03949	2.1
55.01870	1.1
55.05509	8.5
57.03443	4.3
57.07082	0.9
59.05009	5.2
61.02928	2.5
63.65847	1.1
65.03923	1.1
67.05508	32.6
69.03441	1.2
69.07075	9.7
69.41974	4.7
69.42392	2.4
71.04993	1.8
73.02916	1.2
79.05492	18.8
79.12305	1.0
81.03421	2.1
81.07061	42.2
82.07391	1.2
83.04987	3.2
83.08624	10.4
85.02895	2.5
85.06551	1.6
89.06029	1.2
91.03958	1.2
91.05487	14.4
92.20929	0.9
93.06484	1.8
93.07050	28.6
95.04984	2.7
95.08607	11.5
97.02885	1.3
97.06521	3.9
97.10178	2.8
105.07044	9.4
107.05000	1.2
107.08604	17.6
109.06533	1.7
109.10168	3.1
111.08110	3.2
117.07037	6.2
117.09148	1.6
119.08607	5.8
121.06496	1.7
121.10143	8.2
123.08082	1.0
123.11710	3.4
129.07007	2.4
131.08586	7.6
133.10136	6.8
135.08060	2.5
135.11722	5.8
141.06923	1.0
143.08488	2.0
145.10147	3.2
147.11694	1.5
149.13235	11.2
155.08626	1.1
157.10150	1.7
159.11696	6.7
159.12830	0.9
166.71544	1.0
173.02199	0.9
177.12784	2.8
195.13754	6.7
199.14754	1.1
214.24997	1.1
251.16594	1.6
269.17474	25.5
293.17697	0.9
353.24792	1.5
371.25824	2.6
379.24408	1.2
389.26764	1.7
445.29492	17.0
463.30569	100.0
464.30951	2.5
481.31345	2.8
607.34705	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	659.469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16667	1.8
55.05507	7.1
56.99597	1.9
57.03436	3.2
57.07079	100.0
58.04214	8.5
58.07420	1.9
59.05006	37.5
63.20328	2.0
67.05508	11.3
69.07057	8.1
69.40862	15.9
71.04979	3.6
71.08635	75.7
72.05795	9.9
73.02919	4.3
73.06550	8.0
75.18246	1.8
79.05503	9.5
81.03425	2.4
81.07053	16.7
83.08625	5.8
85.10184	46.9
86.07300	3.9
87.04480	14.3
87.08125	2.7
89.06030	15.4
90.01918	31.9
91.05477	8.0
93.07039	8.8
95.08617	9.7
97.10176	4.9
99.11731	7.9
101.06037	4.6
103.07574	8.9
105.07041	7.3
105.95071	2.0
107.08588	5.9
108.03284	1.9
109.06539	2.5
109.10180	5.8
113.13281	4.3
115.07601	2.4
116.08338	2.8
117.07014	3.3
117.09123	11.0
119.08588	3.2
121.10204	2.4
125.89133	2.2
131.08597	2.2
133.08621	11.2
133.10168	3.3
135.11647	3.0
136.06175	3.5
141.26755	2.0
147.10201	3.8
152.15623	2.3
155.18015	5.0
161.11716	4.1
177.11232	3.2
178.07091	4.3
179.12831	3.0
183.17445	4.9
213.22110	6.5
222.09749	6.6
223.15384	3.2
234.22032	2.4
237.16989	3.3
241.21730	2.8
266.19623	3.7
271.26392	4.9
275.20013	2.5
324.23984	2.5
372.18707	3.4
383.43866	2.3
420.36728	4.5
464.16534	2.4
508.42343	9.9
509.43005	2.3
589.69080	2.0
648.50604	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	660.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.9
54.10483	1.0
55.01874	1.8
55.05515	9.1
57.03440	5.6
57.07075	2.4
59.04999	4.1
61.02925	3.8
67.05510	27.2
68.18570	1.1
69.03412	1.2
69.07073	11.1
69.86150	2.2
69.86560	4.8
71.04989	2.9
79.05498	17.3
81.03432	2.6
81.07064	36.6
83.04974	2.4
83.08620	11.6
83.99227	1.2
85.02899	2.9
85.06561	1.3
89.06050	3.2
91.03968	1.4
91.05489	14.3
93.07047	27.7
95.04993	2.3
95.08607	12.0
97.02920	1.2
97.06541	6.3
97.10181	4.4
105.07031	5.5
107.08598	15.1
109.06520	2.0
109.10149	2.6
109.81023	1.1
111.08115	2.2
117.06992	6.1
119.08590	3.6
121.06539	2.0
121.10168	7.5
123.11726	2.4
131.08566	7.0
133.08614	3.0
133.10143	7.8
135.08049	2.0
135.11705	7.7
143.08600	1.9
145.10158	2.9
147.11757	1.7
149.09729	1.6
149.13284	11.9
150.09991	1.4
159.11729	6.7
167.57709	1.2
171.11777	1.6
177.11258	1.8
177.12714	2.4
195.13824	6.8
251.16417	1.4
256.22241	1.1
269.17487	28.5
353.24811	1.6
371.25540	1.7
445.29547	12.4
463.30557	100.0
464.30795	3.1
490.34402	1.1
607.34485	2.0
653.08392	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.3
53.03938	7.1
55.01875	18.8
55.05512	59.5
57.03444	11.2
57.07071	3.4
59.05034	1.7
61.91947	1.5
62.72602	1.5
65.03930	4.7
67.05506	66.8
69.03422	6.4
69.07069	37.4
69.10583	1.4
70.96027	3.8
71.04981	8.2
79.05495	70.3
80.05817	1.8
81.03427	11.9
81.07056	72.5
81.81351	1.4
82.07384	2.2
83.04983	26.4
83.08623	35.6
85.02914	8.6
85.06567	3.9
85.26969	1.6
86.20186	1.9
88.82913	1.9
91.05486	52.6
93.07043	67.6
94.07407	1.7
95.04970	100.0
95.08611	42.0
95.09922	1.7
97.02865	1.9
97.06530	12.9
97.10170	21.3
99.04446	15.1
99.08068	2.9
103.05474	1.7
105.04528	2.8
105.07033	48.7
107.04968	17.7
107.07870	3.7
107.08596	61.9
109.06532	14.0
109.10154	22.4
111.04444	28.2
111.08071	12.9
113.05992	2.2
115.05367	1.8
116.06168	2.0
117.07022	20.2
118.07290	1.8
119.08586	41.1
121.06510	14.7
121.10149	36.3
123.08076	15.2
123.11700	4.5
125.06023	3.4
125.09625	22.3
127.07601	1.9
128.06268	2.0
129.07028	6.8
130.07755	2.3
131.08583	32.2
133.06473	3.2
133.10144	25.2
135.08052	11.8
135.11676	19.2
137.09631	5.0
139.11198	4.7
141.06978	4.0
143.08545	8.7
145.06528	2.0
145.10126	34.4
147.08047	7.9
147.11699	17.3
149.09630	42.7
149.10754	2.9
149.13274	4.5
151.11232	3.4
153.09140	4.2
153.12773	4.3
155.08566	3.1
157.10161	7.5
159.11658	18.6
161.09657	5.6
161.13263	6.9
163.11191	43.1
165.12813	5.5
167.10735	2.9
169.10196	4.8
171.10246	3.5
171.11737	8.0
173.09654	2.2
173.11861	2.3
173.13281	6.3
175.11212	4.7
175.14897	2.4
177.12766	7.7
181.12263	4.2
183.11774	3.7
185.13338	4.0
187.11188	5.4
187.14806	3.8
189.11227	17.9
191.10651	3.1
191.14291	2.3
193.12352	3.1
197.13297	3.7
198.54105	1.5
205.12190	7.9
209.33821	1.5
211.13255	3.5
213.16452	2.1
215.18048	2.7
217.15805	1.8
223.13292	99.7
227.12906	4.4
229.19609	4.5
237.14771	2.3
239.18048	3.8
241.19496	5.3
247.20628	3.8
257.18997	13.0
259.20621	8.7
273.18607	4.8
275.20062	98.8
291.19418	8.8
292.19897	2.3
293.21124	51.8
293.24246	3.3
331.22537	2.2
333.24139	8.0
347.36694	1.5
349.23697	27.3
367.24744	14.0
460.04327	1.7
513.36584	1.9
517.35010	3.4
543.38763	1.4
576.31866	1.8
623.43286	8.6
641.44073	18.3
659.45227	64.9
660.45557	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	659.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.3
53.03944	4.3
55.01878	8.2
55.05513	18.5
57.03441	3.7
57.07077	1.4
64.39664	0.7
65.03934	3.5
67.05509	47.0
69.03423	3.0
69.07072	22.2
69.17177	2.9
69.17600	4.4
71.04992	3.1
71.08604	1.0
77.03922	1.2
79.05496	45.5
80.05812	1.6
81.03442	4.5
81.07059	100.0
82.07391	1.0
83.04984	7.3
83.08623	15.4
85.06530	4.5
89.79178	0.7
91.05484	35.1
92.05844	1.2
93.07048	31.2
95.04977	10.8
95.08610	30.3
97.06542	10.7
97.10194	3.7
99.08102	3.4
103.05482	1.9
105.04513	1.6
105.07034	34.2
107.04964	10.2
107.08600	19.8
109.06522	21.7
109.10165	14.1
111.04447	0.9
111.08060	3.7
113.06016	0.8
113.09682	0.9
115.05511	0.9
117.07011	9.6
119.08586	28.3
121.06521	4.4
121.10150	16.7
123.04417	1.0
123.08084	7.4
123.11707	11.0
125.09655	2.0
128.06293	0.8
129.07019	3.2
131.08588	12.8
132.08904	1.0
133.06508	1.7
133.10149	17.2
135.08080	4.8
135.11743	5.2
137.09618	4.8
137.13271	1.3
138.06444	0.8
139.11205	1.2
142.07802	1.0
143.08537	3.7
145.06487	1.1
145.10129	13.2
147.08090	2.7
147.11685	23.2
147.12807	1.4
149.09631	8.8
149.13269	7.4
151.11246	2.7
155.08556	1.3
157.10179	4.2
159.11699	7.8
161.09651	2.4
161.13303	2.6
163.11205	7.4
163.14915	3.2
165.12746	8.0
169.10199	2.3
171.11746	2.9
173.09659	1.0
173.11990	0.8
173.13206	4.2
175.11176	4.3
175.14807	1.8
177.12794	1.8
179.14423	2.2
183.11708	2.1
185.13239	1.4
187.11270	1.8
187.14842	1.7
189.12749	1.0
189.16467	0.8
191.14381	0.9
191.18167	0.7
193.12262	2.9
195.13718	0.9
197.13249	1.6
201.12839	1.7
209.15306	1.0
219.13887	1.1
221.15233	0.8
223.13417	1.8
229.19585	3.4
239.18001	2.9
247.20631	5.8
257.19046	6.0
265.21631	1.0
267.15878	1.6
275.20087	60.1
276.20474	2.6
277.20605	0.9
291.19608	2.5
292.20032	1.6
293.21051	14.2
331.22595	1.0
349.23746	24.2
350.24341	1.9
367.24759	7.6
405.61584	0.7
467.17130	0.9
484.17834	1.0
485.17706	0.8
512.16559	0.8
571.22241	1.0
599.21021	1.5
623.43213	4.4
641.43872	9.2
659.23334	7.5
659.45135	15.2
660.23077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.0
52.54984	1.9
53.03944	10.9
55.01871	15.6
55.05513	24.8
57.03439	29.3
57.07084	3.5
65.03944	6.5
67.05505	100.0
68.99782	1.9
69.03431	6.6
69.07067	27.9
69.14655	6.1
69.15076	13.0
71.04991	5.3
77.03925	2.4
79.05493	79.2
81.03418	15.3
81.07056	80.7
81.07531	4.6
83.01350	2.4
83.04989	24.9
83.08616	11.0
85.06537	5.8
91.05479	74.1
93.07043	70.1
95.04970	41.3
95.08607	60.4
96.05742	2.3
97.02884	5.4
97.06541	10.1
97.10157	4.5
98.07330	2.6
103.05458	4.6
105.04561	3.6
105.07034	53.6
107.04958	63.8
107.08594	29.0
108.05724	4.3
109.06525	24.3
109.10153	20.2
110.07347	2.8
111.04475	12.5
111.08089	3.5
112.05219	5.5
113.06022	5.8
115.05457	8.1
117.07014	26.4
119.04956	5.3
119.08585	29.4
121.06496	16.0
121.10156	18.6
122.07289	23.3
123.04430	7.1
123.08069	7.1
123.11743	6.1
125.05972	4.5
128.06247	9.0
129.07019	16.8
131.04907	4.0
131.08574	31.8
133.06483	20.3
133.10127	19.3
135.08081	13.9
135.11678	13.3
136.08810	2.7
137.05954	4.5
137.09633	5.7
141.07007	5.1
143.08562	16.6
145.06499	9.8
145.10132	18.0
147.08052	34.3
147.11714	7.6
149.09633	6.7
149.13239	6.8
151.07549	3.6
155.08508	4.2
157.10112	6.1
159.08070	5.2
159.11658	10.8
161.09596	24.4
161.13251	6.0
162.10432	5.5
163.11200	6.4
165.09196	3.2
169.10129	4.9
171.11678	6.0
173.09639	4.6
173.13293	4.3
175.11195	7.1
177.12766	2.9
183.11800	2.3
185.13258	4.9
187.11171	3.6
187.14851	5.7
189.12802	2.5
191.10722	2.2
197.13235	3.9
199.14836	1.9
203.14351	3.2
205.12199	2.8
205.15863	4.2
210.36232	2.0
215.14355	4.7
223.13185	2.6
233.15323	12.8
243.13979	2.7
251.16460	2.5
261.14905	4.2
261.22253	2.0
272.17636	2.2
273.18530	12.0
275.20206	2.2
279.16119	2.5
289.18015	5.9
290.18741	20.9
291.19336	4.2
307.19083	4.8
325.20126	4.0
335.18750	3.5
335.25775	68.6
347.22366	2.6
381.22757	21.6
530.69012	1.9
567.40753	12.4
594.69836	2.2
595.40100	22.7
641.44269	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17849	1.1
51.02377	1.9
52.96233	1.2
53.03948	7.4
54.32776	1.2
55.01873	10.4
55.05269	1.8
55.05514	27.5
57.03438	24.1
57.07067	3.5
65.03960	7.3
67.05508	100.0
69.03422	4.2
69.07069	22.5
70.20485	5.1
71.01360	2.8
71.04990	2.5
79.05497	77.2
80.06274	2.4
81.03419	12.6
81.07059	75.1
83.04990	17.3
83.08628	8.9
84.02139	1.6
84.47129	1.5
85.06543	3.7
85.10194	1.5
89.06041	2.3
90.73332	1.1
91.05485	64.2
93.07047	62.8
94.04231	1.4
94.07825	1.5
95.04372	2.6
95.04973	43.7
95.08608	58.9
96.05734	2.0
97.02875	5.0
97.06524	9.1
97.10139	4.3
99.08086	2.0
103.05473	4.5
105.04503	4.2
105.07034	47.6
106.91005	1.4
107.04960	52.4
107.08590	33.4
108.05750	2.7
109.02853	1.4
109.06525	18.7
109.10157	19.7
110.07310	1.5
111.04439	7.4
111.08054	5.4
112.05218	5.6
113.06000	4.7
115.05453	6.1
116.06248	1.4
116.96346	1.2
117.07030	23.4
119.04931	5.5
119.08575	29.2
121.06518	11.9
121.10151	19.8
121.21522	1.3
122.07293	16.3
123.04434	3.9
123.08091	7.4
123.11691	6.3
125.05950	3.2
128.06210	6.9
129.07008	14.1
131.04959	1.7
131.08569	24.2
133.06503	19.6
133.10133	16.3
135.04424	1.5
135.08076	10.9
135.11678	13.7
137.05977	1.9
137.09607	4.1
141.06978	5.9
142.07736	2.8
143.08563	11.3
145.06483	9.7
145.10133	19.9
147.08041	24.5
147.11644	9.0
148.08759	2.1
149.06033	2.1
149.09662	6.2
149.13254	7.0
151.07509	3.9
155.08517	4.5
157.10162	3.5
159.08064	3.4
159.11688	11.3
161.09624	16.8
161.13231	5.7
162.10452	2.4
163.11205	8.3
163.14777	1.3
165.09132	4.2
165.12784	1.9
169.10095	4.0
171.11678	5.1
172.08693	1.2
173.09581	1.9
173.13298	6.1
175.11206	4.9
175.14867	2.8
177.09131	1.7
177.12723	4.0
179.14319	2.7
183.11697	2.5
185.09659	1.2
185.13219	3.6
187.11200	4.8
187.14821	4.3
189.12708	2.6
189.16426	1.9
197.13263	3.0
203.14323	3.2
205.12276	1.5
205.15854	4.4
213.12761	1.6
215.14333	4.2
217.15837	1.9
231.13797	1.6
233.15382	13.3
238.61659	1.4
243.13631	1.3
249.14923	1.7
251.16251	1.6
258.56424	1.2
259.20444	1.5
261.14789	2.8
261.22263	1.9
273.18564	10.2
275.20087	5.6
279.15921	1.3
289.17987	4.1
289.29709	1.5
290.18674	11.1
291.19559	3.5
307.18927	3.2
325.20193	2.9
335.18735	4.9
335.25800	97.6
336.26303	2.9
347.22058	2.7
349.23639	1.7
381.22745	14.9
567.40466	8.0
578.51685	1.2
595.39996	20.1
641.44141	29.7
659.41553	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	659.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
53.03962	8.4
55.01875	18.9
55.05269	2.5
55.05516	35.8
57.03185	2.3
57.03444	23.5
57.07083	9.0
59.04995	1.8
65.03927	9.3
67.05508	100.0
68.05869	1.6
69.03423	6.3
69.07068	28.2
69.29166	5.9
69.29592	8.0
71.01360	2.8
71.04997	4.1
71.08617	7.7
79.05498	89.9
80.06271	3.0
80.83290	1.4
81.03429	14.8
81.07061	94.5
83.04981	24.6
83.08627	16.3
85.06564	6.5
85.10195	3.9
89.06052	4.8
91.05485	73.4
92.05819	2.7
93.07047	74.4
94.04207	1.6
95.04973	47.8
95.08612	67.3
96.05775	2.0
97.02901	7.3
97.06504	9.1
97.10170	5.8
98.20814	3.9
99.08103	3.0
103.05477	5.6
105.04523	4.0
105.07036	62.9
107.04960	62.4
107.05703	1.9
107.08595	34.5
108.05752	4.6
109.06524	24.4
109.10159	24.5
110.07324	2.5
111.04465	9.2
111.08095	7.1
112.05246	6.4
113.06013	6.9
115.05432	8.8
117.07021	29.5
118.07741	1.4
118.52286	1.5
119.04961	6.8
119.08584	36.1
120.05819	1.7
121.06506	15.2
121.10147	24.7
122.07282	17.2
123.04476	4.2
123.08100	9.3
123.11761	4.5
125.06003	2.2
125.09629	3.6
128.06244	4.3
129.05603	1.8
129.07005	20.7
131.04935	3.2
131.08575	32.0
133.06496	22.7
133.08595	2.6
133.10143	23.2
135.08055	16.0
135.11688	15.3
136.08826	4.0
137.06006	2.3
137.09648	5.9
141.06972	8.3
142.07793	3.1
143.08539	15.3
145.06464	11.6
145.10133	19.5
146.07275	1.7
147.08043	26.7
147.11699	9.8
149.05989	3.3
149.09633	8.6
149.13258	8.0
151.07552	3.4
151.11171	4.0
155.08536	4.7
156.21362	1.5
157.10167	10.4
159.08063	4.9
159.11682	10.8
161.09612	24.4
161.13268	5.9
162.10406	3.7
163.11169	10.1
165.09137	4.0
169.10110	6.0
171.11674	6.7
173.09644	2.7
173.13280	7.8
175.11215	6.4
177.12787	4.1
179.14360	4.7
183.11673	2.5
185.13211	3.2
187.11168	3.9
187.14774	4.0
189.11182	2.6
189.12720	3.4
189.16304	1.9
190.74846	1.7
197.13297	4.4
203.14362	3.6
205.15884	2.9
207.13831	1.8
213.12843	2.5
215.14345	4.9
217.15813	3.3
219.17493	1.8
227.12642	1.8
231.13910	1.7
233.15388	15.4
251.16508	3.3
261.14804	2.7
261.22192	1.8
271.16977	1.6
273.18533	10.9
275.20111	7.3
277.21622	3.4
289.17941	2.6
290.18808	17.4
291.19556	6.4
293.20972	2.0
307.19104	5.1
322.61279	1.7
325.20102	4.2
335.18817	3.5
335.25821	51.4
347.22418	2.6
349.23746	4.7
351.25494	2.3
367.25055	1.9
375.56296	1.7
381.22919	15.2
402.33414	1.7
513.39862	1.8
514.27435	1.7
543.36700	2.6
567.40228	9.6
583.39801	2.0
595.39978	20.7
607.43579	3.1
623.42554	2.5
641.44196	35.7
659.44678	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.1
55.01857	1.1
55.05507	2.9
56.82817	1.0
57.07065	3.0
67.05512	10.7
69.03416	4.4
69.07053	4.5
70.06573	2.3
71.51078	2.2
79.05503	2.1
81.07066	11.5
83.04976	1.7
83.08617	1.3
84.08116	1.5
85.02911	3.6
85.06548	26.1
91.05486	4.4
93.07059	7.8
94.06554	2.5
95.04987	2.3
95.08602	8.4
97.06516	1.9
97.10159	2.1
105.07019	3.8
107.08591	3.5
109.10159	8.0
116.07113	1.5
117.63766	1.4
119.08598	4.3
120.04469	1.2
120.08080	1.7
121.06509	4.0
121.10132	3.2
122.06023	5.1
122.06834	1.6
123.11699	3.6
125.09621	3.0
127.03971	1.8
131.08545	2.1
132.04469	1.6
133.10092	2.2
134.05962	1.6
135.11745	2.7
136.07538	1.6
137.05981	3.1
137.09622	11.3
138.09177	1.4
139.03912	17.0
143.08601	1.6
144.04419	2.1
146.06033	2.7
147.04402	3.7
147.11743	2.4
149.09673	3.3
149.13266	3.1
151.04041	1.8
151.05582	1.3
151.07558	3.5
153.01851	11.0
159.11667	2.0
161.13251	1.7
163.03946	3.0
165.09126	100.0
167.07114	2.2
172.03964	10.7
174.05472	2.2
176.07080	2.9
179.10693	1.4
190.04956	1.4
191.10658	2.3
198.09332	1.5
204.06578	17.4
205.12230	1.8
206.08099	1.5
210.11691	1.4
211.08641	2.1
219.98090	1.2
225.10332	2.3
227.11809	4.4
237.10242	3.2
239.11728	1.7
243.11185	5.4
269.12927	4.8
283.10837	2.6
284.11398	2.0
285.12402	7.3
287.13931	12.7
289.06985	1.3
300.20245	1.5
301.11996	2.8
303.13339	5.5
311.16501	2.0
313.11801	1.5
315.13852	1.5
316.14319	1.9
318.54199	1.2
330.16226	2.5
331.04480	1.3
331.16788	5.4
332.22357	1.4
341.11108	1.8
342.12393	2.0
343.13147	1.7
344.17575	2.8
356.13831	2.1
357.14517	1.4
358.15454	3.1
359.12695	1.6
372.17200	1.7
373.14001	4.1
383.12772	1.6
384.13229	3.8
385.10049	1.7
386.19211	1.5
398.14990	2.6
399.15826	7.3
400.16455	10.5
417.16711	2.8
418.17462	5.0
425.34091	2.2
443.35281	8.1
458.17227	13.4
459.17944	8.6
483.29227	3.1
490.19586	2.8
599.24402	2.0
609.22699	2.7
627.24579	19.8
628.25861	1.5
641.25403	1.7
659.26349	7.3
659.32397	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	659.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.4
55.01870	9.8
55.05512	21.9
57.03191	2.2
57.03441	24.9
57.07071	2.8
60.28287	1.5
61.02929	83.1
62.17840	1.4
65.03954	4.0
65.39390	1.4
67.05508	54.6
67.50000	1.4
69.03091	2.5
69.03436	34.1
69.07075	15.7
70.83051	3.4
70.83399	2.1
71.01321	3.8
71.04978	7.0
71.08635	1.6
73.02914	28.2
79.05496	46.8
81.03416	26.1
81.06590	3.1
81.07059	62.4
83.04990	7.8
83.08621	11.8
85.02905	100.0
85.06544	2.1
87.04440	2.6
91.03959	60.4
91.05485	33.1
93.07045	49.5
95.04961	9.0
95.08611	40.7
96.41426	1.7
97.02892	80.6
97.06520	6.6
97.10138	3.7
99.04465	13.1
99.08086	3.2
101.02401	6.5
103.03932	8.9
103.05453	2.1
105.04517	2.0
105.07028	30.5
106.07361	1.7
107.04951	5.8
107.08604	24.1
109.02895	9.1
109.06506	6.8
109.10161	19.6
111.04448	5.0
111.08061	3.4
115.03914	7.8
115.05369	1.6
117.05487	3.1
117.07026	10.9
119.08579	22.1
121.06474	3.0
121.10152	18.7
123.08053	5.2
123.11711	9.4
125.09666	3.9
127.03916	36.5
129.05458	2.9
129.06996	3.8
131.08557	17.1
133.10147	19.0
135.08055	4.7
135.11714	15.5
137.06013	2.1
137.09616	2.8
139.03896	2.0
140.40195	1.7
143.08536	5.1
145.04962	26.0
145.06081	2.8
145.10141	15.0
146.08171	1.6
147.08060	2.3
147.11691	12.5
149.09615	6.0
149.13266	8.3
151.11125	3.6
155.08591	3.2
157.10106	3.6
159.06520	3.3
159.11711	15.0
161.13271	7.3
163.06042	7.3
163.11130	3.3
163.14825	5.0
165.12790	3.4
169.10118	3.8
171.06577	2.1
171.11655	6.2
173.13269	9.5
175.11183	2.9
175.14777	2.5
177.12820	3.5
179.14296	1.8
183.06476	4.0
183.11722	3.5
185.13231	3.3
187.11263	2.3
187.14825	3.4
193.05087	2.4
197.13284	3.0
199.14934	2.0
201.07597	4.4
201.16325	1.9
219.17462	1.9
243.21056	6.0
247.20638	2.2
257.18988	4.9
259.20441	2.8
261.22119	14.5
271.20715	2.0
273.18527	2.1
275.20056	21.2
277.21732	1.8
285.22171	2.4
291.19778	3.9
293.21127	3.9
299.23755	2.0
335.25812	69.6
336.26181	2.2
337.56564	1.7
349.23749	10.6
351.23209	2.6
363.25473	3.6
367.24820	3.0
443.27637	3.0
479.29962	5.5
589.88501	1.8
614.49451	1.8
623.42450	3.6
641.44116	4.5
646.22937	1.8
659.35840	8.0
659.45203	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11477	1.2
53.71620	1.0
55.01852	1.0
57.12301	1.0
65.03932	1.5
67.05499	2.5
69.03446	1.5
69.24023	1.3
70.06596	1.2
79.05473	3.2
81.07061	2.9
89.48616	1.1
91.05447	1.3
93.05761	1.4
93.07031	1.9
94.06574	10.9
95.04921	1.4
95.08562	1.6
98.21525	3.6
104.05021	1.6
105.06965	1.1
107.08573	1.2
108.08115	2.0
109.10119	1.9
110.06072	1.2
116.04952	2.0
118.06573	2.1
120.04528	1.4
120.08091	1.4
121.06485	1.8
122.06046	37.0
133.10155	1.6
134.06013	3.7
136.07547	2.1
137.05984	2.1
139.03876	5.5
144.04427	4.1
144.08043	1.4
146.06026	14.7
148.07591	3.2
151.07533	1.7
152.07060	2.3
153.01840	2.1
162.05513	3.2
165.09113	4.8
167.07225	1.9
168.06569	12.9
172.03944	23.8
173.04768	10.7
174.05540	17.4
176.07130	9.1
182.09647	2.0
190.05040	2.7
191.05798	5.4
192.06488	1.6
197.10727	3.0
199.08646	1.8
199.12297	3.6
204.06575	46.1
205.12305	1.6
206.08136	5.6
209.07118	1.2
209.10825	1.2
210.11646	1.4
211.08690	4.9
211.20361	1.2
212.09348	2.5
213.10283	2.6
223.08656	2.2
223.12320	1.4
224.09302	2.1
225.10219	8.3
227.11797	29.8
229.84674	2.1
235.08696	1.7
237.10220	5.6
238.11012	2.6
239.08189	1.7
239.11769	5.8
241.09717	2.6
241.13385	2.2
243.11293	1.4
249.10257	3.2
250.10985	1.8
251.08047	1.9
251.11803	6.2
252.08914	2.3
252.12674	1.3
253.09636	5.1
255.07634	1.8
255.11345	1.4
262.11050	1.5
263.08084	1.6
263.11694	2.7
264.08774	1.9
265.09726	4.3
266.10400	1.5
267.11142	6.1
269.12851	22.7
271.10770	6.8
277.09698	3.4
278.10361	1.5
279.11395	5.3
279.17722	1.4
281.08951	1.5
283.10751	14.5
284.11609	8.6
285.12399	4.4
287.13919	64.4
288.14499	1.4
289.11908	2.6
291.11426	1.5
292.08459	1.7
295.10699	4.0
296.11612	2.0
297.12366	4.6
298.13138	1.8
300.12326	1.5
301.12067	6.3
305.09106	2.1
309.12347	2.1
313.11795	12.5
314.13065	2.5
315.13702	7.3
316.14471	9.3
317.15497	1.9
321.12286	1.3
323.10345	3.9
324.11118	1.8
327.13956	1.8
328.11047	1.4
328.14563	6.5
329.11575	5.3
329.15259	3.2
330.12384	4.3
330.16031	10.0
331.16812	10.9
332.17505	3.2
337.11816	2.9
339.10760	1.4
340.14432	1.6
341.11346	44.2
342.12338	11.5
342.16147	2.2
343.13141	6.6
344.13763	3.3
344.17569	8.5
354.16006	2.0
355.13852	4.1
356.13974	8.0
357.14798	4.9
358.15530	12.2
359.12427	12.5
366.16296	1.5
368.13834	2.2
369.10889	2.7
370.11459	2.6
370.15573	5.9
371.16537	1.3
372.17081	7.8
373.13953	10.9
374.18619	1.6
382.11560	6.7
382.15958	1.9
383.12390	10.3
384.13348	21.0
384.17599	2.3
385.14139	5.0
386.14691	8.4
386.18942	3.5
388.16663	2.3
390.18115	8.9
394.15460	1.9
398.15009	21.8
399.15796	34.7
400.16595	53.7
400.21899	2.7
401.17526	1.5
402.14230	3.7
412.16415	2.7
414.18439	8.1
415.18750	4.2
416.16003	4.6
417.16946	11.3
418.17673	13.1
430.17615	4.5
431.18420	2.7
440.16125	7.5
441.16388	1.6
444.15451	4.3
458.17154	72.1
459.17874	46.2
460.18472	7.6
474.18283	2.0
480.27844	1.4
490.19794	11.5
491.20535	6.1
583.25140	3.2
585.23853	5.5
599.25000	1.9
609.23303	9.4
627.24524	100.0
628.24518	4.8
641.25940	3.0
642.24274	1.2
659.26086	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	659.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
55.05531	1.7
67.05506	3.6
69.07066	2.6
70.06571	2.2
71.50935	2.3
72.35851	2.0
81.03391	2.3
81.07043	4.7
85.02865	2.2
93.07049	4.2
94.06577	5.9
95.08603	2.8
107.08585	3.3
122.06046	19.2
131.08493	2.4
133.10187	2.4
134.06012	2.8
137.06007	2.4
139.03886	3.4
144.04459	3.2
146.06001	8.2
148.07515	2.8
152.46625	1.9
162.05534	2.1
168.06569	8.4
172.03961	18.7
172.07594	2.5
173.04741	5.0
174.05487	10.6
176.07059	8.2
183.09126	2.0
191.05789	5.2
198.09187	2.2
199.12338	2.1
204.06609	32.7
206.08174	5.8
211.08760	3.7
212.09483	2.1
213.10382	2.1
223.12273	2.1
225.10320	5.6
227.11823	25.4
239.11710	4.1
241.09683	2.3
251.11755	3.7
253.09628	2.6
263.08121	1.8
267.11368	3.8
269.12845	17.9
271.10818	5.6
279.11340	3.3
283.10858	10.3
284.11630	7.8
285.12308	2.9
287.13922	52.7
289.11899	2.4
295.10696	3.6
297.12158	2.1
301.12137	4.5
313.11838	7.1
315.13589	5.1
316.14413	8.2
328.14438	5.7
330.16071	6.5
331.04541	2.0
331.16870	5.2
341.11334	27.3
342.12405	7.0
342.16232	2.2
343.13190	4.2
344.17578	7.1
355.70306	2.2
356.13959	3.6
357.14584	4.2
358.15536	10.6
359.12402	7.4
372.17194	3.6
373.13748	10.2
382.11636	3.5
383.12836	3.1
384.13470	14.5
385.13889	4.4
386.14667	4.1
386.18976	2.8
390.18188	6.6
398.15012	14.7
399.15823	24.7
400.16559	38.6
402.14252	2.4
414.18115	4.5
416.16037	3.6
417.16803	7.9
418.17612	12.0
430.17719	3.4
440.15988	4.6
458.17203	44.5
459.17960	26.3
460.18533	3.6
490.19525	7.2
491.20569	4.6
581.23755	2.4
583.24609	2.9
585.22974	5.6
609.23169	6.8
627.24548	100.0
628.24646	4.6
659.26025	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	658.51
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.7
55.05508	2.9
55.43413	0.8
57.03435	0.8
57.07079	100.0
59.05005	22.3
67.05502	2.6
69.07066	2.3
69.18202	3.0
69.18621	5.2
71.08636	65.9
73.06556	2.5
79.05498	2.5
81.07069	4.2
83.08606	2.9
85.10188	55.5
87.04475	6.9
88.53185	0.7
89.06038	64.7
91.05487	3.1
93.07052	2.4
95.08620	2.4
97.10144	2.1
99.11732	11.7
101.09652	1.4
102.21943	0.8
103.07628	1.0
105.07034	2.1
107.08611	1.1
109.10152	1.0
113.13303	5.1
117.09164	5.2
119.08590	2.0
120.08916	1.3
130.08630	1.3
131.07051	3.6
131.08578	1.0
133.08612	48.3
135.11729	1.0
137.18257	0.8
147.10078	1.0
155.17981	8.2
157.69620	0.8
175.09656	2.2
177.11227	17.9
178.15755	0.9
185.23079	0.9
213.22141	12.9
214.22531	1.0
221.13806	3.0
265.16525	1.2
271.26361	6.6
275.20172	1.0
283.17795	1.1
291.19449	1.5
292.19598	1.0
307.74976	0.8
327.20123	1.5
353.21710	0.8
371.22815	9.0
411.25735	1.7
429.26743	0.9
459.28018	2.0
584.62445	0.9
658.50659	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
54.06591	2.1
55.01862	4.3
55.05317	1.7
55.05516	19.0
57.03444	16.0
57.06836	2.8
57.07083	37.3
65.03952	2.1
67.05509	66.9
69.03420	2.5
69.06789	2.0
69.07078	21.6
69.24032	6.7
69.24454	10.6
71.04982	3.1
71.08637	29.1
73.06584	1.8
79.05500	26.8
81.06595	3.0
81.07063	54.8
83.04972	3.0
83.08630	18.8
85.06554	2.8
85.10190	16.1
87.04471	1.9
89.06019	11.9
91.05492	20.7
93.07051	24.8
94.07368	2.2
95.04964	5.2
95.08616	32.0
95.52196	2.2
96.08929	2.3
97.06521	5.4
97.10162	12.3
105.07042	15.4
107.04929	4.9
107.08608	18.3
108.08878	2.4
109.06545	3.3
109.09480	3.0
109.10172	45.4
111.08075	3.7
113.93634	2.0
117.07026	6.0
117.09093	2.5
119.08598	12.6
121.06547	2.7
121.10146	8.0
123.08009	2.4
123.11674	5.3
125.09639	7.1
131.08575	9.2
133.08600	10.6
133.10135	9.3
135.08044	4.6
135.11658	5.0
137.09674	4.1
143.08572	2.1
145.10133	4.5
147.11710	5.4
149.09668	3.1
149.13266	5.8
151.11179	1.9
155.10687	3.5
157.10056	3.1
159.11688	7.5
161.13197	3.3
163.11151	3.0
171.10159	2.2
171.11621	3.8
173.11790	9.3
173.13135	2.3
177.11295	3.2
177.12665	2.4
185.13182	2.2
189.11230	3.6
195.13840	3.4
227.12769	19.6
229.14369	58.1
239.23657	4.2
251.16336	3.1
257.19034	5.8
257.24832	3.2
269.17471	16.1
275.20059	30.4
293.21173	3.4
313.27374	100.0
314.27716	2.6
329.97025	2.1
332.21152	2.1
346.70908	2.0
349.23740	16.5
367.24817	13.6
409.33856	2.1
460.35080	2.0
462.16840	2.1
467.37369	37.2
468.37689	2.4
483.36823	2.0
507.40482	28.0
521.12354	2.1
546.42517	4.5
577.20166	2.1
587.46576	17.8
605.47974	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	657.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67728	2.2
53.03944	10.5
55.01880	19.6
55.05519	37.6
55.73962	2.4
57.03442	11.2
57.07069	3.2
65.03937	6.0
67.05508	78.5
69.03418	7.5
69.06718	4.0
69.07069	34.5
70.06573	6.5
71.04977	4.2
79.05497	76.6
81.03426	11.4
81.07061	100.0
83.04971	15.8
83.08621	17.9
85.06581	3.6
88.07619	6.8
91.05488	60.0
93.06487	4.6
93.07053	61.4
95.04964	22.3
95.08615	38.2
97.02888	3.2
97.06538	18.3
97.10176	17.9
98.13419	2.3
102.09152	5.2
103.05436	3.5
105.07041	53.7
107.04957	24.1
107.08599	42.7
109.06534	18.4
109.10172	24.3
111.04482	11.5
111.08085	7.8
113.06045	2.7
113.09663	3.5
115.05474	2.8
117.07027	18.4
119.08583	48.4
121.06528	11.2
121.10149	19.8
123.08073	17.4
123.11724	4.8
125.09620	13.5
126.28081	2.4
128.06213	4.5
129.07016	12.3
130.07761	3.8
131.08562	27.6
133.06487	8.2
133.10127	28.7
135.08066	14.1
135.11673	12.9
137.09627	4.5
141.07011	4.5
143.08560	13.2
145.06491	2.8
145.10152	26.7
147.08080	11.1
147.11682	17.3
149.02328	10.9
149.09659	21.0
149.13248	3.6
153.09103	3.0
153.12778	4.6
155.08636	5.9
157.10124	8.4
159.08063	4.0
159.11742	11.6
161.09647	7.3
161.13219	5.1
163.11197	19.6
165.12747	5.2
167.08478	3.4
169.10098	7.0
171.11674	6.0
173.09543	3.3
173.13319	6.7
175.11153	6.1
177.12834	5.3
179.14305	4.1
181.10234	2.5
181.12164	5.9
183.11728	5.7
185.13275	6.7
187.11151	2.6
187.14861	4.0
189.11244	13.5
191.10721	4.0
193.04988	12.7
195.11792	4.2
197.13205	5.1
199.11224	3.1
201.12753	3.0
223.13338	8.2
227.12732	18.8
227.17903	3.2
229.19461	4.2
237.07655	3.3
245.19049	3.0
247.20490	4.5
255.17438	4.8
256.26358	12.3
257.19104	11.7
273.18506	29.5
275.20078	54.2
291.19568	65.1
293.21112	6.8
341.06711	2.6
347.22281	8.1
349.23804	20.8
359.07520	3.6
365.23334	17.7
367.24979	3.3
385.09109	4.8
416.81580	2.4
421.52884	2.4
429.11890	8.0
478.94327	2.6
519.32343	3.2
563.73584	2.4
593.43182	2.4
621.42249	11.6
639.42438	28.7
657.43604	34.6
658.35754	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45243	2.0
53.03960	12.1
55.01880	19.9
55.05516	34.4
57.03443	24.3
57.07072	4.3
65.03934	8.9
67.05509	89.7
69.03422	5.8
69.07069	29.7
69.10089	1.8
69.26242	17.1
71.04975	7.1
71.08627	3.0
79.05498	72.7
79.50645	2.0
81.03426	12.0
81.07061	100.0
83.04989	18.9
83.08630	15.6
85.06537	6.3
91.05486	77.4
93.07047	67.6
95.01305	2.4
95.04977	49.7
95.08610	54.0
97.02896	3.5
97.06525	17.9
97.10165	6.7
98.21562	4.5
99.08090	2.4
103.05463	4.2
105.04508	3.9
105.07034	69.8
107.04963	37.9
107.08605	40.8
109.06526	36.2
109.10165	21.8
110.50452	2.2
111.04393	2.1
111.08070	7.2
112.05221	4.7
113.06049	11.9
115.05447	4.1
116.06252	2.5
116.41493	2.4
117.06240	2.4
117.07018	34.2
119.04971	3.2
119.08583	49.2
121.06512	15.1
121.10136	20.4
123.04410	5.5
123.08062	14.2
123.11710	5.2
125.05971	2.4
125.09612	6.5
128.06230	7.2
129.05463	3.1
129.07013	21.3
130.07794	3.2
131.08569	43.5
132.09386	2.4
133.06480	10.7
133.10139	32.9
135.08051	17.7
135.11710	15.6
137.09624	4.3
141.07002	11.8
141.45158	2.0
142.07759	3.9
143.08571	20.7
144.09274	2.6
145.06480	10.4
145.10130	28.3
147.08040	11.3
147.11696	20.3
149.09607	14.6
149.13258	8.7
151.11188	6.0
153.12767	3.5
154.07806	3.1
155.05913	3.1
155.08563	9.6
157.06479	2.1
157.10164	14.4
159.08028	8.2
159.11699	24.1
161.09610	12.7
161.13222	11.5
163.11211	13.6
165.09167	2.8
165.12657	2.5
167.08557	6.0
168.09196	2.4
169.10147	15.4
171.08099	5.0
171.11658	14.3
173.09601	4.9
173.11902	2.8
173.13254	10.5
175.11183	5.2
175.14845	4.0
177.12735	9.0
179.08588	4.1
179.14285	3.9
181.10123	5.6
183.11740	9.7
185.09679	2.7
185.13260	9.2
187.11147	10.0
187.14819	6.4
189.11195	2.7
189.12750	6.7
193.10201	2.5
193.12140	1.9
195.11760	3.1
197.13220	8.4
199.11076	2.8
199.14833	4.6
201.12717	5.1
203.14343	2.6
205.10216	2.8
205.12167	4.3
207.11765	4.4
209.13284	4.8
211.14951	3.1
213.12793	2.8
213.16426	3.2
217.15942	4.7
221.15295	3.7
223.13206	4.8
227.12724	2.3
227.18057	3.0
233.15427	5.8
235.14844	2.5
239.18022	2.3
241.14206	3.3
241.19565	3.7
251.16446	2.7
255.17451	2.5
257.19016	5.5
259.20523	6.2
273.18469	19.3
275.20081	27.6
277.21899	2.5
279.15881	15.4
290.18768	2.1
291.19553	50.1
293.21048	2.9
299.20044	2.3
308.68921	2.5
327.23346	2.3
327.26837	2.5
333.24261	10.0
347.22113	9.7
349.23792	15.6
365.23273	7.4
381.22867	3.7
553.35443	2.7
565.38721	4.7
583.39575	6.9
605.41840	4.8
611.39105	4.1
621.41559	4.6
623.42609	10.7
639.42487	36.4
657.43665	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.9
53.03955	11.0
55.01624	2.2
55.01872	23.0
55.05271	2.5
55.05518	41.0
57.03191	2.1
57.03442	23.5
57.07063	4.1
59.05008	2.3
65.03935	7.6
67.05510	86.7
69.03423	7.6
69.06729	3.2
69.07075	36.4
70.50739	1.7
70.68546	3.9
71.04977	6.1
79.05499	81.7
81.03418	14.0
81.07063	100.0
82.07389	1.9
83.04996	14.2
83.08630	20.5
85.02910	2.3
85.06544	10.9
91.05487	74.2
93.07053	61.6
95.01342	2.2
95.04975	33.1
95.08615	46.7
96.89885	1.5
97.02914	4.1
97.06520	19.0
97.10181	11.9
99.08093	2.9
103.05470	4.0
105.04517	2.1
105.07040	60.0
107.04961	30.2
107.08605	41.2
109.06531	38.9
109.10162	20.6
111.04452	5.4
111.08079	4.2
113.06017	17.3
115.05450	5.3
117.07024	28.6
119.08594	40.8
121.06492	10.4
121.10142	16.2
123.04435	4.7
123.08096	15.7
123.11700	5.5
125.09659	11.2
128.06245	7.2
129.07024	16.3
131.08585	36.1
133.06505	7.5
133.10139	26.2
135.08066	18.7
135.11681	14.0
137.09601	5.3
141.06996	6.7
142.07780	4.9
143.08594	15.2
145.06494	6.8
145.10124	30.1
146.73445	1.6
147.08061	12.7
147.11696	19.9
149.09642	17.5
149.13271	8.5
151.11208	3.3
153.09187	1.7
155.08525	6.7
156.09348	2.1
156.72714	1.9
157.10152	14.9
159.08023	5.0
159.11685	19.1
161.09651	9.3
161.13293	5.7
163.11212	10.8
165.09102	3.8
165.12715	3.1
167.08514	2.3
167.66374	1.8
169.10156	9.1
171.08145	1.6
171.11688	14.1
173.09631	4.2
173.11833	2.9
173.13188	8.4
175.11185	6.1
175.14832	2.8
177.12741	5.5
178.07761	2.1
179.08606	1.9
179.14368	2.9
181.10158	6.1
181.12167	2.1
183.11696	8.9
185.09656	2.2
185.13229	5.6
187.11194	6.4
187.14835	4.6
189.11224	5.0
189.12753	2.6
191.14307	2.5
193.10190	2.5
193.12218	2.1
195.11606	2.3
195.13725	2.5
196.12422	1.9
197.13293	4.6
199.11215	2.1
199.14804	3.9
201.16411	3.1
203.14404	2.8
205.12257	3.4
209.13248	4.5
211.14845	2.8
213.16483	2.0
217.15880	4.5
223.13332	6.2
225.16267	2.4
227.12772	7.3
227.18042	2.7
229.36470	1.9
237.16525	2.7
239.17964	2.7
241.14323	2.2
245.18929	2.9
255.17354	2.8
257.18970	5.1
258.89056	1.7
259.20575	4.3
273.18481	23.5
275.20111	37.4
279.15897	6.6
280.77884	1.8
291.19559	73.1
293.21103	4.5
333.24240	5.1
347.22064	4.8
349.23746	22.6
365.23178	16.6
367.25159	2.1
381.22595	2.0
559.36664	2.9
583.39636	3.3
611.39111	3.5
621.40906	3.1
623.42932	3.6
639.26141	2.5
639.42682	37.0
657.43549	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	657.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	2.5
58.18867	1.4
64.32134	1.4
81.07040	3.6
91.05492	2.6
92.82301	1.6
93.37636	1.9
98.21468	3.0
101.79548	1.2
107.08601	1.6
121.01138	1.4
164.94482	1.6
235.12431	2.8
247.12379	1.9
260.12552	1.5
261.13904	3.4
273.13998	1.4
275.15408	1.7
310.14206	1.5
315.17432	1.9
316.18234	1.5
351.16592	1.4
352.17740	2.0
363.16953	2.5
364.17743	1.8
365.17905	1.9
379.19345	5.8
381.20758	2.3
391.19421	4.1
392.19995	2.2
393.16989	4.4
393.21243	2.9
394.21918	2.3
405.20926	3.5
406.21652	1.7
407.18207	4.1
407.22745	3.1
408.19418	5.3
409.20013	4.7
417.16855	2.1
420.19574	2.0
421.19897	5.1
421.24597	2.6
422.20822	4.8
423.22009	19.9
424.22598	2.0
431.18039	1.8
433.20029	4.2
434.21326	2.9
435.21902	8.2
436.22607	4.9
437.23004	4.4
442.21338	1.9
446.20984	3.4
447.21973	1.8
449.24066	3.3
451.21201	4.5
452.22424	2.5
454.20047	4.7
456.23087	1.7
461.23541	7.4
462.20569	2.5
463.21356	3.3
465.22614	5.6
466.22278	2.0
467.24951	3.5
468.24820	2.0
476.22827	2.5
477.23318	7.8
478.24213	1.9
479.20776	1.4
479.24512	4.8
480.22195	2.6
481.22003	3.4
493.21542	7.8
494.26202	5.9
495.23636	14.3
496.24243	4.1
505.22021	2.8
507.23502	2.4
508.24835	13.0
509.25818	12.0
510.26715	12.2
511.27249	15.3
516.24341	2.4
521.25360	8.0
522.25671	4.7
523.23224	4.9
525.28772	2.0
526.28949	3.0
537.25134	24.7
538.25629	11.2
549.25073	2.0
551.22693	2.9
553.28699	10.7
555.26215	3.3
565.24127	4.6
570.28436	6.9
581.27576	26.5
582.26898	1.8
583.25714	5.0
596.27533	2.1
597.27167	55.6
598.27466	8.5
607.25854	1.9
613.30304	68.0
614.30194	3.8
625.26636	100.0
626.26379	3.3
657.28833	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31100	1.0
54.93727	1.1
55.05519	2.3
56.42043	1.2
56.57032	1.2
57.07071	7.0
58.38028	1.1
59.04991	3.3
59.93827	1.0
62.95533	1.3
65.07143	1.1
67.05494	3.6
69.07062	1.5
70.08771	3.2
70.09180	2.4
71.08633	5.5
79.05476	1.5
81.07055	4.0
85.10185	3.3
91.05453	1.9
93.07041	2.5
95.04996	1.3
95.08605	1.6
97.18488	1.2
105.07008	2.0
107.08598	2.7
119.08615	1.3
121.80672	1.0
129.08269	1.2
146.09615	1.2
151.11308	1.1
158.09612	1.4
183.09200	1.7
199.20584	1.3
209.10732	2.3
221.10789	1.3
223.12300	2.2
225.13837	1.4
233.10767	1.7
234.13029	1.3
235.12273	1.2
247.12302	2.2
251.15202	1.4
261.13889	3.2
273.13885	1.3
274.13617	2.1
275.15335	2.1
287.15454	1.8
288.14972	1.5
289.16644	1.9
300.15033	1.5
310.12943	1.3
311.14407	1.3
314.16592	1.8
316.14615	1.7
323.14374	1.5
326.16367	2.1
337.15515	1.7
338.16330	2.5
340.17938	1.9
350.16428	2.0
352.17694	2.4
354.19327	1.8
363.16220	3.5
364.17361	3.0
365.17743	3.7
375.16345	2.3
376.17383	3.5
377.17709	4.1
378.19080	2.3
379.19284	5.3
381.20822	1.5
390.19315	1.5
391.19034	5.0
392.20172	2.8
393.16931	3.5
393.21033	3.3
394.17822	1.6
395.18286	1.6
395.22644	1.7
405.20627	4.1
406.17157	1.5
406.22128	2.0
407.18539	4.2
407.22806	2.7
408.19388	6.4
409.20377	9.1
410.18958	2.1
419.18738	4.0
420.19501	2.3
421.19971	9.5
422.20853	4.9
423.16824	1.8
423.21872	22.4
424.22232	2.4
433.20016	4.1
434.21506	1.6
435.22256	11.9
436.22488	5.4
437.23886	5.9
447.22290	2.2
449.23120	4.8
450.24246	1.7
451.21106	6.6
453.22928	2.7
454.20117	5.2
456.22571	1.6
461.23602	10.2
462.20609	2.1
463.21228	5.3
464.21405	1.3
465.22760	5.2
466.21082	1.6
467.24307	5.4
468.25116	4.3
476.22873	2.2
477.22794	7.5
478.23251	4.6
479.24182	6.1
481.22525	3.5
482.23203	2.2
491.20078	2.0
492.21591	1.4
493.21527	8.5
494.25839	4.1
495.23608	13.6
496.24701	7.5
505.22351	1.5
506.23267	1.5
508.24863	18.8
509.25909	13.0
510.26523	13.3
511.27307	16.8
519.23853	2.8
521.25616	7.9
521.79370	1.4
522.26160	2.7
523.23389	5.8
524.25934	1.7
525.28662	3.4
526.29297	2.0
537.25104	21.6
538.25745	13.5
539.26373	1.6
551.22949	2.9
553.28461	11.1
554.25269	1.4
555.25909	2.5
565.24359	6.0
570.28003	4.4
581.27625	26.6
582.26996	2.6
583.25598	6.5
595.29028	1.8
596.27472	1.6
597.27155	61.6
598.27869	8.7
607.25464	1.5
613.30267	75.6
614.30847	2.1
625.26599	100.0
626.26538	6.0
639.27863	1.7
657.28845	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	656.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	10.3
55.05510	44.4
57.07072	36.2
67.05499	67.3
69.07056	26.0
69.51572	18.9
69.51985	32.3
71.08622	28.1
79.05484	54.8
81.03403	10.5
81.07056	100.0
83.04992	13.0
83.08606	18.7
85.10188	17.2
89.06005	7.9
91.05492	45.0
93.07047	48.8
95.04952	21.6
95.08598	48.3
97.06514	8.5
97.10148	18.5
105.07026	31.3
106.07328	7.8
107.04935	7.5
107.08590	25.1
109.06501	18.0
109.10164	15.4
111.04438	9.7
117.07027	12.2
119.08572	25.4
121.06522	7.7
121.10159	12.2
123.08062	24.7
123.11675	13.0
125.09618	15.4
131.08603	12.5
133.10149	17.4
135.11705	7.1
137.09647	12.3
143.08498	8.6
145.10094	18.5
147.11702	14.5
150.07071	6.5
157.10190	7.3
163.11166	11.0
188.60231	8.0
189.11201	17.9
193.12190	8.6
227.12759	19.2
273.18463	35.8
291.19516	67.7
308.29361	11.8
313.27295	73.1
365.23166	21.6
372.34323	8.2
544.40808	55.9
603.45721	24.7
621.46912	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	657.1302
Annotation	Gossypetin 3-glucuronide-8-glucoside
Peak:m/z	Relative Intensity
53.03940	0.4
53.22623	0.2
54.55898	0.2
55.01863	0.6
57.03431	0.8
61.02934	0.4
61.70637	0.3
68.99793	1.1
69.03415	1.0
69.27017	0.2
69.62552	1.4
70.06601	0.4
70.20401	0.2
71.01344	0.9
71.99393	0.2
72.08141	0.5
73.02917	1.3
81.03422	0.6
82.23201	0.2
85.02444	0.4
85.02913	5.9
91.05465	0.5
95.01308	0.8
97.02887	1.3
97.05267	0.2
97.06534	0.3
98.06048	0.5
98.21619	0.3
103.03924	0.3
103.05450	0.3
105.07012	0.3
109.02850	1.1
110.07098	0.3
111.00811	2.5
113.01643	0.2
113.02344	1.2
115.08644	0.4
121.06557	0.4
127.03912	1.6
129.62767	0.2
131.03387	0.4
131.04829	0.2
137.02379	1.8
137.05923	0.6
139.03896	0.7
141.01814	1.5
145.02850	0.3
145.04985	1.4
153.01843	9.8
153.05482	0.3
159.02971	0.4
161.06033	0.3
165.01836	3.3
165.05527	0.3
166.02708	0.4
177.05502	0.5
179.03429	1.4
183.02896	1.4
189.05458	0.8
192.72740	0.2
193.01393	0.4
195.02908	0.7
199.03964	0.3
203.03450	0.4
207.02899	0.4
217.04999	3.2
219.02849	0.3
227.03467	0.3
231.03062	0.3
233.11824	0.3
235.06029	0.5
245.04486	4.8
255.02969	0.5
263.05484	0.7
270.05939	0.3
272.03244	0.3
273.01270	0.4
273.03986	4.7
290.04227	1.6
301.03311	1.3
309.14627	0.4
313.83548	0.3
319.04501	100.0
320.04828	1.6
323.98575	0.3
329.02750	0.3
339.09991	0.4
343.04462	0.6
362.76080	0.3
397.05151	0.3
430.12692	0.2
431.14542	0.4
449.15286	0.5
477.06693	0.3
481.09811	12.1
489.21219	0.6
495.07663	0.5
550.16516	0.2
657.24939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51476	1.2
53.03945	2.9
55.01866	4.8
55.05513	12.9
57.03443	8.3
57.07081	42.2
57.76118	1.1
61.02929	9.2
65.03931	1.8
67.05509	30.4
69.03423	3.1
69.07071	16.7
71.04973	2.4
71.08636	29.2
71.35802	2.4
73.02918	3.7
75.04476	1.5
75.47008	1.1
79.05501	19.9
80.94978	1.3
81.03416	5.3
81.06589	2.2
81.07061	38.2
83.04975	4.8
83.08619	16.4
85.02927	8.8
85.06524	1.8
85.10194	19.3
87.84485	1.2
89.06056	1.7
91.03953	7.5
91.05490	16.0
93.07048	14.6
95.04964	10.3
95.08614	35.4
97.02886	5.5
97.06524	4.2
97.10168	8.6
105.07034	13.4
107.04966	9.6
107.08608	9.0
109.02884	1.3
109.06517	8.2
109.10164	17.0
110.35344	1.1
111.04428	2.8
111.07970	1.4
111.11703	1.8
113.06023	1.8
117.07024	8.8
119.08573	11.5
121.06497	4.1
121.10169	4.0
123.04433	1.9
123.08080	2.9
123.11712	5.4
125.05899	1.6
125.09601	1.9
127.03933	3.5
128.06192	1.8
129.07007	4.1
131.08548	6.8
133.06517	3.5
133.10150	8.8
135.08064	3.8
135.11707	3.0
137.09604	2.4
137.13225	2.8
143.08565	4.8
145.04955	4.5
145.06528	1.4
145.10100	6.0
147.08041	3.7
147.11641	3.0
149.09612	4.4
157.10146	2.7
159.08119	2.2
159.11708	4.2
161.09604	3.3
161.13309	1.2
163.06012	4.6
163.07458	1.1
163.11151	5.0
165.09131	1.4
169.10097	3.2
171.11707	3.0
173.09538	1.4
173.13240	1.4
175.11212	1.5
181.10008	1.5
181.12288	1.4
183.11664	1.4
213.12727	1.8
221.22665	1.6
233.15317	2.2
239.23720	27.5
257.19037	1.7
257.24786	3.0
273.18564	9.6
275.20145	7.4
288.21927	1.3
289.17920	2.3
291.19504	10.8
313.27380	100.0
314.27753	2.1
316.56345	1.2
331.28436	11.5
347.22067	2.1
349.24179	1.3
363.21988	1.4
365.23346	2.7
475.32364	1.8
543.36646	1.9
577.23932	3.0
581.38269	2.2
609.37976	3.0
637.40338	4.7
655.26825	3.6
655.41876	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	655.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01883	1.1
55.05516	3.2
57.03431	0.7
57.07076	0.5
65.03965	0.5
67.05512	6.5
67.97123	0.4
69.03423	0.6
69.07059	2.8
70.06592	0.5
71.04994	1.0
71.51317	0.8
79.05502	5.3
81.03440	1.0
81.07059	6.3
83.04988	1.5
83.08634	0.6
91.05486	4.6
93.07053	4.4
95.04958	2.4
95.08620	3.9
97.06543	1.2
97.10218	0.7
105.07046	3.4
107.04967	2.1
107.08597	2.8
109.06529	1.7
109.10181	1.1
111.08105	0.9
117.07033	2.1
119.08612	2.5
121.06499	0.7
121.10186	1.7
121.46040	0.4
123.11774	0.6
125.09681	0.6
129.07045	1.2
131.08585	1.6
133.06508	0.9
133.10129	2.2
135.08034	0.5
135.11745	1.0
137.09552	0.8
141.02756	0.5
143.08627	1.1
145.10144	2.2
147.11736	1.2
149.09665	0.7
151.11255	1.0
157.10187	0.9
159.11707	0.9
161.09604	0.5
163.11226	0.5
165.12868	0.5
167.55939	0.5
169.55539	0.5
171.11716	0.7
179.14418	0.6
193.12444	0.5
201.75317	0.5
212.23593	0.6
273.18637	2.6
275.20129	1.7
289.18362	0.5
291.19598	2.4
303.23114	0.6
365.23645	0.6
377.17896	0.6
391.19507	0.6
392.20163	0.8
405.16858	1.0
405.21408	1.0
407.22375	4.4
419.18362	3.2
420.19171	1.0
421.20026	1.2
433.20737	4.7
434.21286	4.3
435.21771	7.0
447.17502	0.8
447.22223	1.7
448.18176	0.7
448.23300	1.1
449.19901	2.0
461.19281	1.4
461.24438	0.7
462.20352	4.6
463.21194	4.3
475.21329	1.8
476.22083	1.2
477.23062	1.5
479.20590	0.8
489.23099	1.1
493.26157	0.8
495.24173	1.0
506.22647	0.6
507.20596	1.7
508.25009	1.8
509.25699	1.7
521.25604	11.4
535.26904	0.7
543.37402	0.6
549.25031	17.7
553.24133	0.9
563.26886	2.5
564.27032	0.7
580.26544	0.7
581.27747	2.1
595.29425	7.7
596.29211	0.5
607.28815	0.7
609.27142	9.6
623.28687	0.8
637.40784	0.8
655.31335	100.0
656.31610	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	655.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.2
54.03114	1.2
55.05518	6.1
57.07068	3.3
65.03954	0.9
67.05508	6.0
69.07056	2.8
71.52026	1.6
79.05513	5.4
81.07058	7.0
83.04987	18.6
83.08612	2.5
86.91073	0.9
91.05486	7.8
93.07044	4.4
95.04965	3.1
95.08611	3.6
98.92072	1.0
98.98452	1.5
105.07037	5.9
107.04951	1.2
107.08583	2.9
109.06507	1.3
109.10155	2.0
111.04455	0.9
116.28160	0.9
117.07046	3.2
119.08561	3.6
121.10117	1.5
123.11736	1.2
128.06227	1.7
129.07011	2.7
131.08545	2.2
131.81007	0.9
133.10162	2.7
137.02852	1.0
143.08575	1.3
145.10083	1.2
147.08080	2.2
147.11707	2.9
157.07614	1.0
159.11710	1.2
164.56985	0.9
175.01585	9.5
181.02625	14.4
220.29024	1.1
223.12335	1.0
227.04697	4.7
237.13797	1.2
238.14545	1.4
251.15314	1.1
253.17003	1.0
257.05637	1.9
261.13651	1.2
273.18488	1.2
275.15378	1.2
275.19952	1.9
291.19638	2.8
313.11972	9.0
369.18314	4.7
377.17841	1.7
379.19742	1.2
389.17606	1.8
391.19232	1.3
393.20941	1.1
403.19382	2.8
404.19965	1.8
405.16815	1.9
417.20798	4.4
418.21704	2.3
419.22568	1.3
420.15353	1.7
432.23532	1.2
433.16162	2.2
433.24405	5.5
434.17557	1.2
435.22406	1.7
436.22763	1.5
437.23389	1.5
445.20084	1.3
447.17490	1.9
448.19537	1.2
449.19571	4.0
457.24072	1.6
459.22031	1.1
460.22827	1.5
461.19577	3.0
462.20490	1.8
463.21429	14.5
464.22278	1.2
471.18488	1.9
475.21539	2.2
476.21954	3.4
477.18451	10.2
479.24390	3.5
486.20813	1.9
487.21173	2.1
491.20697	3.7
491.25192	2.3
492.25159	3.6
501.22998	8.9
502.23529	1.4
504.21692	1.7
505.26364	1.5
506.26282	1.5
509.25558	1.2
517.22473	1.2
519.24072	1.7
533.25720	8.1
535.23248	6.7
536.23975	2.8
543.19031	7.3
543.36969	1.5
550.26050	5.9
551.26642	8.5
554.25342	1.7
561.24799	3.5
564.23901	1.8
565.28131	52.6
566.27704	1.3
577.24280	2.4
578.25073	4.1
579.26044	8.3
583.29224	7.9
593.27698	7.4
594.24463	1.9
595.25427	1.7
599.25378	14.6
609.27026	22.5
611.28998	6.2
613.26678	3.2
623.24854	10.5
637.26459	6.7
637.40472	1.3
655.27539	100.0
656.27649	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	653.2973
Annotation	Haplophytine
Peak:m/z	Relative Intensity
53.03938	4.4
55.05513	9.0
57.07079	2.3
59.48961	2.0
65.03941	2.3
67.05510	33.7
67.70106	1.7
69.07078	7.1
71.04984	1.7
79.05495	32.8
81.03423	2.9
81.07072	23.9
83.04984	4.2
83.08616	3.3
91.05484	20.4
93.07050	29.9
95.04958	8.5
95.08616	15.1
97.10198	3.0
105.04507	3.1
105.07030	15.8
107.04948	2.6
107.08589	11.0
109.06551	1.7
109.10175	5.3
113.00027	7.2
117.07040	5.3
119.08588	13.5
121.10164	7.7
123.08156	2.3
123.11698	1.8
128.06194	2.0
129.07045	4.4
131.08597	4.2
133.10139	7.1
135.11748	5.3
143.08565	3.8
145.10144	5.3
147.11668	9.5
157.10132	2.3
159.11739	2.5
161.13257	5.0
169.02589	3.1
171.11731	6.1
189.12749	3.1
207.13878	10.5
246.83397	2.1
261.22247	2.4
281.17538	3.8
403.19501	2.9
404.19998	5.3
405.20767	10.8
417.20874	2.5
419.22244	8.8
420.23160	4.4
433.24088	8.0
434.24744	2.6
447.21939	2.1
448.25610	2.1
449.19897	8.1
463.21503	7.6
464.22342	2.9
475.21255	3.1
477.22681	3.1
478.23697	3.9
479.24426	34.0
487.21408	3.0
491.24988	2.8
492.25464	3.1
501.23053	5.9
502.23788	3.3
507.27493	18.1
519.24243	2.1
533.25494	5.9
537.25122	7.4
541.38916	61.8
551.26636	36.1
561.24713	10.1
565.28204	20.0
566.28937	100.0
567.29242	4.2
575.26813	2.7
593.27643	12.5
621.27161	19.4
625.29309	2.2
635.28632	6.1
653.29742	93.1
654.29718	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	654.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.3
51.02386	0.7
53.00291	0.3
53.03944	0.4
55.05496	1.1
57.07066	0.3
59.04993	0.6
64.05496	0.3
67.05508	2.3
69.03429	0.7
69.07062	1.2
70.06620	0.6
71.04993	3.7
73.06561	1.5
77.81881	0.3
79.01854	3.1
79.05496	2.1
81.03415	2.2
81.06593	0.5
81.07059	8.5
83.05000	0.5
83.08582	0.4
85.02911	0.4
85.06542	0.3
86.09694	0.4
87.50768	0.2
91.05482	1.6
93.07042	5.3
95.04968	0.5
95.08611	1.2
97.02931	1.5
97.06554	0.7
97.10155	0.3
98.21513	0.7
103.05421	0.4
105.07043	0.6
107.01320	0.6
107.08599	3.2
109.02902	1.8
109.10162	2.8
111.08060	0.6
119.08598	0.4
121.06519	1.7
121.10115	0.6
124.09850	0.3
125.02345	1.8
127.03905	1.5
133.10072	0.3
135.04373	0.3
135.11693	6.8
138.09142	0.5
139.03932	0.5
143.03398	4.0
153.01839	100.0
153.02840	4.1
153.12750	25.5
154.02150	0.8
154.13109	0.3
161.05948	0.4
167.07173	0.4
171.02864	1.8
172.00763	0.3
173.11731	0.5
175.11157	0.5
177.05481	0.4
193.12202	0.4
229.14438	1.9
233.04471	1.0
237.03847	0.5
243.02838	0.5
259.04193	0.3
261.04037	1.2
267.15881	1.1
279.05042	1.1
297.06076	3.8
310.93533	0.3
421.25870	1.7
467.08261	4.3
479.18903	2.8
492.33600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30202	3.1
74.02460	0.8
85.02937	0.4
91.05472	0.7
98.20794	0.7
111.03027	0.3
115.05449	0.9
117.05750	0.7
117.07023	1.1
117.80466	0.3
118.06546	17.3
118.80720	0.3
120.21112	0.3
130.06540	1.5
132.08112	4.8
139.03951	0.5
142.06541	1.6
143.07275	2.6
144.08087	12.1
146.06013	62.6
147.06375	0.6
153.01839	3.2
159.09180	6.1
160.07597	1.4
170.06029	5.2
188.07074	100.0
189.07463	1.7
205.09732	42.9
206.10037	0.6
297.06113	0.3
299.39923	0.4
315.07022	0.6
329.49692	0.3
412.91470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.4
53.03942	0.7
64.88960	0.2
65.58008	0.3
67.05499	0.6
71.51312	0.3
74.97998	0.2
77.03936	0.4
81.03447	0.3
91.04984	0.3
91.05494	3.5
93.07046	5.6
95.04962	1.1
95.08591	0.3
96.82833	0.3
97.53815	0.3
103.05466	3.0
105.04493	0.4
121.06509	100.0
122.06834	0.8
126.14059	0.3
138.09145	28.6
158.48770	0.2
193.37743	0.3
217.88939	0.3
475.24789	0.3
652.40710	0.4
680.08740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.01867	3.6
55.05518	1.6
57.03436	4.9
59.04998	2.5
61.02934	3.1
67.05495	2.4
68.99788	3.4
69.03429	20.1
70.06595	5.8
71.01363	3.2
71.04993	49.7
71.51019	1.6
73.02896	4.0
79.05495	2.1
81.03416	13.5
81.07061	6.9
83.04981	2.1
85.02908	94.4
86.17463	1.2
87.00827	20.8
91.05464	2.0
93.07036	3.1
95.01325	5.2
95.08602	3.8
97.02901	16.2
97.06545	1.1
99.00811	1.6
99.04464	6.1
103.03957	2.6
105.01868	36.1
105.07019	4.7
107.04918	1.8
107.08603	4.7
109.02884	18.1
109.06565	1.6
109.10194	1.9
110.36515	1.3
111.04443	2.7
113.02363	3.3
117.79945	1.1
119.08547	3.7
120.08977	1.2
121.06497	2.0
121.10147	24.2
123.04459	2.8
123.08064	1.6
123.11713	28.9
125.02365	1.9
127.03926	44.3
129.01843	3.6
133.10130	3.7
137.05995	1.4
137.09608	1.9
139.03891	12.6
140.04245	1.7
141.01842	17.0
145.04985	15.8
145.10208	1.5
147.02971	1.3
149.13242	1.6
151.03934	3.9
151.07623	1.3
151.11186	5.2
153.01848	8.9
153.05423	1.6
154.02159	1.6
159.02879	11.5
163.03928	2.1
165.05511	6.6
165.12735	4.4
166.05807	2.7
167.07018	2.3
169.05009	2.5
173.13258	1.3
175.14828	5.9
177.03973	1.2
177.05470	4.6
181.04961	2.2
185.55101	1.1
187.06108	1.4
189.03885	5.7
191.03519	1.4
191.07002	1.5
193.08835	1.3
193.15887	100.0
194.16194	1.8
197.18752	1.2
203.03297	2.1
203.06609	1.1
211.16939	58.1
213.04016	3.3
222.77652	1.2
225.03812	1.4
227.78004	1.2
231.05017	15.2
246.20322	1.2
249.03836	1.8
249.06087	9.4
259.40543	1.1
261.05920	2.1
267.04941	1.4
273.06027	4.9
285.06155	3.8
303.07172	3.8
313.17807	1.5
314.18347	2.3
316.09097	1.5
332.19412	2.1
348.04810	1.2
371.05927	2.2
389.07156	5.8
405.57147	1.8
407.08240	3.8
441.21112	1.5
477.05118	1.1
639.87421	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.9
55.01869	4.5
55.05514	27.7
57.03429	10.0
57.07080	4.2
59.04997	3.1
65.03930	5.5
67.05510	100.0
69.01125	2.3
69.03147	2.4
69.03434	28.8
69.07084	12.8
71.04977	8.2
71.08613	2.7
79.05496	35.6
81.03424	49.4
81.06597	3.1
81.07062	54.3
83.04989	23.0
83.08628	12.6
85.02895	7.9
85.06529	2.7
88.40714	2.2
91.05482	27.9
93.07050	37.8
95.04961	8.9
95.08617	43.0
97.02903	13.3
97.06566	4.5
97.10166	19.1
98.21590	3.0
99.04453	5.0
103.03921	2.6
105.07035	22.0
107.04973	4.2
107.08594	19.7
109.02856	10.5
109.06479	3.6
109.10161	50.7
111.04443	7.2
111.08083	3.7
115.05435	2.8
117.07001	12.2
119.08584	18.6
121.06563	2.4
121.10133	18.0
123.08047	4.1
123.11717	6.6
125.09669	11.2
127.03902	7.7
129.05490	12.0
129.07004	6.8
131.08566	15.8
133.10179	12.8
135.08073	5.7
135.11682	8.9
137.09602	3.3
141.06911	3.9
142.07854	2.6
143.08559	8.5
145.10123	12.2
147.08060	4.0
147.11676	8.5
149.09653	3.0
149.13245	3.4
152.86067	2.9
153.12944	2.4
155.08533	5.7
155.10623	5.3
157.10092	8.3
159.11691	10.9
161.09601	3.6
161.13269	5.6
169.10181	6.0
171.08047	2.8
171.11671	5.6
173.09750	2.4
173.11746	15.0
173.13225	4.8
175.14752	3.4
183.11719	5.9
185.13258	5.3
187.11119	2.5
187.14888	2.7
189.11217	8.7
227.12761	17.6
229.14285	21.9
239.02945	2.6
239.14215	2.8
245.13771	6.3
261.22141	3.9
277.21817	2.6
291.23114	2.6
299.14990	4.7
299.19907	3.2
301.21719	3.8
315.23145	2.9
335.25836	11.3
337.27304	6.8
345.24069	2.9
351.23160	5.0
361.97476	2.4
369.24268	12.1
371.17102	3.6
373.18625	3.3
387.25348	3.8
461.28815	4.6
479.29565	3.2
489.35687	6.3
507.36774	4.0
573.38110	2.9
597.37488	5.1
615.38513	3.7
628.30737	2.9
633.39209	12.3
651.40967	7.9
651.45398	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	651.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82234	1.1
53.73465	1.1
59.36076	1.3
67.05497	3.4
69.03443	2.4
69.07063	2.8
70.06574	3.7
71.51044	2.4
73.51263	1.2
75.44261	1.3
79.01805	1.8
79.05484	2.9
81.07040	4.7
82.06572	1.5
83.04951	1.5
84.08153	2.2
85.02909	2.0
91.05419	2.2
93.07039	5.2
95.04957	2.0
95.08607	4.8
97.02880	2.3
105.07025	5.5
106.06523	2.1
107.04952	1.9
107.08588	4.4
109.10161	3.3
116.07030	2.1
119.08599	2.7
120.08092	1.4
121.06507	1.9
121.10194	1.8
122.06031	2.2
123.04441	5.7
123.11722	2.4
124.07590	14.1
127.03886	2.5
130.08623	2.3
132.43932	1.4
133.10077	3.7
135.04405	2.9
136.07587	10.7
137.05975	2.9
139.03880	14.8
145.10107	2.4
146.06062	3.7
147.04436	2.6
148.07585	4.6
151.03918	4.4
152.07028	2.7
153.01846	26.9
153.03006	3.1
153.05435	2.3
154.02184	3.3
163.03908	9.8
164.07091	25.0
165.05481	6.6
166.08672	22.0
167.07143	1.7
172.03976	4.3
173.04753	2.1
174.05548	4.2
175.14828	2.4
176.07079	5.3
177.05492	4.0
179.07066	1.8
181.05032	1.7
190.04939	1.5
191.03398	11.9
192.03688	6.6
192.06560	1.5
193.03941	3.8
204.06664	2.8
206.08153	1.6
210.11565	2.1
223.12259	3.2
235.12364	2.4
237.10197	6.7
237.13777	3.7
238.10960	3.7
239.11795	7.0
245.12898	1.9
246.07637	1.8
248.09491	2.6
249.10287	5.1
250.11002	4.7
251.11798	11.8
252.12401	2.8
253.13353	2.5
263.11795	19.4
264.12512	4.9
265.09805	6.7
265.13373	33.6
266.14084	3.1
267.11191	3.7
269.12793	5.4
271.10162	1.4
271.14450	3.0
275.11926	1.6
277.09711	7.3
278.10501	3.1
279.11307	54.2
280.12027	4.1
281.12769	2.1
283.14377	3.4
287.13907	3.1
291.11316	8.6
292.12009	2.7
293.12872	8.5
295.10837	6.9
297.12323	26.4
298.13126	3.2
299.13776	2.0
301.07089	4.1
305.14853	2.2
309.08786	2.9
309.12350	54.2
310.13126	22.9
311.13892	26.1
312.14777	4.2
315.08618	3.0
319.10809	7.9
320.11539	1.7
321.12408	2.9
325.11621	1.6
337.11832	100.0
338.12570	29.6
339.13385	22.9
340.14206	2.2
345.09750	3.7
346.10071	1.8
347.10193	1.8
356.13501	1.7
357.14474	2.3
369.10025	1.8
369.14502	23.3
370.15121	6.4
371.16068	12.9
398.14978	1.4
399.15610	1.9
400.16556	2.7
401.13309	5.0
436.22363	42.9
458.17349	2.7
459.17947	2.3
462.20306	57.8
463.21213	2.1
476.18039	4.4
480.21292	7.1
494.23187	34.9
559.25183	4.5
583.25580	8.1
601.26526	9.2
619.27618	19.6
633.29352	1.5
651.29852	7.0
654.08429	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	2.1
53.03934	1.6
55.01867	1.7
55.05507	2.8
65.03935	2.9
67.05489	5.8
68.99777	2.1
69.03429	6.9
69.07064	3.8
70.06591	4.0
70.80743	1.4
71.34885	2.2
79.01853	4.5
79.05491	5.6
81.07060	7.5
83.04994	2.2
85.02926	2.0
91.05482	5.6
93.07051	7.2
94.35127	1.5
95.04958	4.2
95.08612	6.7
97.10160	1.9
105.07037	5.9
106.38522	1.4
107.04948	2.3
107.08594	6.5
109.06481	3.2
109.10142	6.9
111.04468	2.3
115.47047	1.3
119.08599	8.5
121.02894	2.3
121.06500	4.5
121.10153	8.0
123.04411	2.9
123.11695	4.2
125.02376	1.9
125.09618	2.4
129.07076	1.7
131.08572	1.7
133.10150	11.8
135.04417	3.6
135.08133	2.2
135.11728	8.2
137.06012	3.1
137.09602	2.4
139.03917	100.0
139.11162	1.7
140.04224	1.5
143.03387	3.2
147.04404	2.0
147.11720	1.9
149.06007	10.4
149.13272	2.2
151.03931	12.0
151.07567	3.2
153.01848	47.8
153.02925	3.4
153.05443	4.4
163.03909	11.8
163.07555	3.9
165.05492	60.5
165.06912	3.1
165.09114	2.1
167.07027	1.7
173.05989	2.3
173.13278	4.2
175.07564	3.1
175.14854	10.8
177.05482	47.0
179.07066	4.6
181.04958	4.6
189.05524	13.9
191.07033	16.5
191.14207	1.7
193.08623	5.9
193.16011	1.5
203.06935	2.1
205.05022	13.0
205.08589	3.6
219.10208	2.2
233.11646	2.6
301.07156	1.8
313.17923	17.6
315.08652	47.4
331.19083	29.5
333.09717	9.5
372.22311	1.8
406.17804	3.2
416.84021	1.7
463.21088	2.1
481.22153	2.5
485.10974	2.2
493.48969	1.9
510.22037	6.0
615.36102	2.0
619.27289	3.4
651.23578	1.8
651.29773	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.6
51.02383	0.9
53.00311	2.1
53.03927	0.8
55.01873	1.4
55.05511	1.3
57.07059	0.8
62.64505	0.6
65.03941	1.9
67.05516	3.0
68.99783	2.7
69.03432	9.9
69.07065	2.4
70.06591	1.9
71.50668	0.8
72.08165	0.5
72.98846	0.6
79.01846	4.1
79.05489	3.2
81.03413	0.9
81.07054	4.5
83.04969	1.1
83.08636	1.3
84.08192	0.6
85.02921	1.3
88.83215	0.6
91.05460	3.8
93.07041	5.9
95.01331	1.0
95.04959	2.3
95.08611	6.7
97.02887	1.6
103.05453	1.1
105.07034	4.5
107.01321	0.7
107.04951	2.0
107.08603	5.3
109.02871	1.2
109.06507	1.4
109.10161	4.3
111.04418	1.8
115.05510	0.7
117.07029	1.4
118.57809	0.6
119.04969	0.8
119.08580	5.9
121.02881	2.9
121.06504	4.7
121.10150	3.6
123.04427	3.5
123.11703	1.6
125.02367	2.0
127.03955	0.9
131.04939	1.4
131.08531	1.6
133.02866	0.8
133.06445	1.0
133.10152	10.3
135.04401	1.9
135.08073	1.7
135.11696	6.5
137.02350	1.0
137.05962	1.7
137.09636	1.3
137.13168	0.7
139.03911	100.0
141.05460	1.9
143.03433	3.2
145.06569	0.6
145.10135	1.7
147.04419	2.6
147.07982	0.8
147.11702	2.1
149.02354	2.6
149.05989	13.2
149.13257	2.3
150.02686	1.6
151.03922	7.0
151.07564	1.9
153.01845	52.0
153.02940	4.2
153.05432	6.0
157.10291	0.7
159.04507	1.4
159.11693	1.0
161.06017	2.3
161.09619	0.6
163.03920	11.1
163.07588	2.3
165.05486	58.1
167.07069	5.1
168.07382	1.0
173.06013	0.8
173.09619	0.7
173.13255	2.0
175.03839	1.0
175.07510	1.2
175.14806	7.1
177.05482	50.9
179.03362	1.3
179.07056	4.6
181.04947	5.2
181.06331	0.8
187.07587	0.6
189.05487	13.5
190.06227	0.8
191.07022	12.2
193.05000	0.7
193.08641	9.3
193.15891	1.2
195.06561	1.3
201.05482	1.8
203.07111	1.8
205.04964	15.4
205.08594	1.4
217.08533	1.0
219.10231	1.6
227.07072	1.0
229.05048	2.0
229.08669	0.8
233.11720	1.2
247.06030	1.4
251.11873	0.9
251.60330	0.6
257.11816	1.2
273.07541	0.9
289.07135	0.9
297.07559	1.4
301.07034	1.7
310.13071	0.7
313.17990	14.7
315.08646	59.3
316.08649	0.8
325.17972	0.9
327.08316	0.7
331.19052	22.6
332.19214	0.8
333.09683	11.8
339.08673	0.8
341.10165	1.3
357.09912	0.9
385.76276	0.7
406.16977	0.9
450.20178	0.8
463.21039	2.1
479.20908	0.8
481.22470	2.9
485.10803	2.6
499.23450	1.3
510.22400	4.4
558.83398	0.7
591.28229	1.0
601.25543	1.0
651.24438	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53957	0.3
53.00302	1.4
53.03942	0.8
53.32531	0.4
55.05508	0.8
57.01415	0.4
57.07103	0.4
65.03954	2.1
67.05494	1.3
68.99780	0.6
69.03434	3.8
69.07059	1.4
71.51849	0.4
75.74001	0.4
79.01875	0.7
79.05495	1.8
81.03425	0.6
81.07063	2.6
83.04995	0.4
83.08625	0.6
91.05474	2.1
93.03423	0.5
93.07050	4.1
95.04966	1.2
95.08607	2.6
97.02905	0.8
97.06553	0.4
98.31874	0.4
103.05451	0.7
105.07030	2.7
107.04953	0.9
107.08594	2.8
109.02887	0.5
109.10184	2.1
111.04439	0.5
115.05481	0.4
117.07002	0.7
119.04916	0.4
119.08584	4.5
121.02880	2.8
121.06518	2.3
121.10146	2.0
123.04424	1.4
123.08040	0.6
123.11727	1.4
126.79583	0.4
131.04929	0.6
131.08559	0.6
133.06424	0.5
133.10143	9.8
135.04404	1.1
135.08104	0.6
135.11703	3.2
137.02367	0.6
137.05988	0.7
137.09608	0.5
137.13229	1.1
139.03911	100.0
139.11240	0.5
140.04210	0.5
141.05475	0.8
143.03377	0.8
143.08533	0.6
145.10120	0.8
147.04404	1.5
147.08032	0.5
147.11676	1.4
149.05989	5.0
149.13263	1.6
151.03925	2.6
151.07549	0.4
153.01842	8.7
153.02953	0.5
153.05476	1.1
153.97382	0.4
157.06476	0.4
159.04411	0.9
161.05977	1.5
163.03912	5.7
165.05484	20.1
167.07042	0.8
173.13235	0.9
175.07535	0.8
175.14832	7.7
177.05479	32.1
179.03365	0.5
179.07056	1.1
181.04933	1.2
189.05487	4.4
189.27118	0.4
191.07065	2.0
193.08632	4.6
193.15900	0.8
201.05504	2.0
203.07082	2.9
205.04974	4.6
205.08653	2.2
229.05014	0.7
257.11710	0.6
261.58664	0.4
269.05035	0.4
275.12918	0.4
289.07037	0.8
297.07648	0.9
301.07111	0.7
313.18011	3.9
315.08636	29.6
316.08896	0.6
325.17950	3.5
327.08606	0.7
331.18982	4.5
333.09570	3.0
339.08682	0.8
341.10303	1.3
343.11746	0.6
343.19073	2.2
343.22827	0.4
370.97461	0.4
390.16632	0.4
440.14413	0.7
463.21219	2.1
481.22324	3.2
485.11176	1.9
529.89075	0.4
651.23883	5.7
651.36853	1.1
652.24579	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01859	3.1
55.05513	14.0
57.03431	4.4
57.07088	3.2
63.89638	1.7
65.03947	3.7
67.05514	38.8
68.39921	2.2
69.03435	17.0
69.07070	9.1
71.04998	65.6
71.51515	3.6
75.76746	1.9
79.05506	31.5
80.05827	2.3
81.03424	23.4
81.07063	39.6
83.04990	7.6
83.08610	4.9
85.02897	14.1
87.04453	3.8
87.08101	3.1
91.05486	25.5
93.07053	35.0
95.04945	4.3
95.08614	33.3
97.02907	11.5
97.10210	2.8
99.04466	3.3
105.07054	26.6
107.04966	2.5
107.08608	26.9
108.03496	2.1
109.02893	7.2
109.06536	3.7
109.10168	14.0
111.08047	2.2
117.07024	10.4
119.08601	23.3
121.06551	3.1
121.10149	50.1
123.08061	6.7
123.11723	41.2
125.09665	5.1
127.03922	6.7
129.07001	6.8
131.08578	19.6
133.06467	2.4
133.10121	16.8
135.11685	11.9
137.09619	4.0
143.08588	8.0
145.10144	11.1
147.11697	9.8
149.13319	8.1
151.11211	6.8
155.08594	2.6
157.10152	4.5
159.11719	11.3
161.09621	2.4
161.13301	8.0
165.12779	11.4
169.10106	3.3
171.11702	7.1
173.13297	8.6
175.11203	3.1
175.14813	6.7
183.11835	3.6
184.07430	2.3
185.09619	2.4
185.13394	4.0
187.14748	2.7
189.11270	2.8
193.15901	100.0
193.17679	5.3
199.14919	2.8
209.13365	2.7
211.16904	16.5
223.14996	2.5
259.20670	3.6
261.22180	8.3
273.22061	4.6
277.21719	4.3
285.21954	4.5
291.23111	3.3
301.21573	4.5
303.23389	10.4
315.23227	4.2
325.26978	2.8
327.23148	3.1
341.24811	4.8
351.23099	7.6
359.26013	2.3
369.24384	15.0
387.25168	15.4
405.26340	15.0
423.27475	4.3
607.28717	3.5
650.30157	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	650.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
56.05038	0.7
57.07084	0.4
58.06610	0.4
60.08170	6.6
67.05504	1.4
71.07382	3.3
71.51572	0.4
79.05502	0.6
81.03421	0.5
81.07072	0.7
83.08626	0.3
86.09712	30.9
87.04440	0.3
91.05492	0.6
93.07035	0.4
95.08607	0.8
96.77607	0.2
98.98475	3.2
104.07093	0.3
104.10766	2.5
104.53441	0.3
107.08634	0.3
109.10164	0.8
111.09285	0.2
117.07027	0.2
125.00016	19.4
184.07355	100.0
185.07713	0.4
249.29712	0.3
357.19745	0.2
412.97937	0.3
438.24274	0.2
650.44025	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	650.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00790	0.4
55.01856	0.3
55.05297	0.4
55.05518	4.1
57.07077	16.8
61.02926	0.4
65.03928	0.8
67.05513	0.7
69.03425	0.9
69.07065	0.6
69.17184	3.5
70.06575	1.4
73.02914	0.3
73.06561	0.8
75.91404	0.3
79.01881	0.5
79.05489	0.7
81.03425	0.8
81.07051	0.9
83.05029	0.4
84.08150	0.8
85.02912	3.5
91.03952	0.5
91.05473	0.7
93.07037	1.0
95.01328	1.5
95.04977	0.7
95.08567	0.5
97.02882	1.5
98.30435	0.4
99.04438	0.5
105.07008	0.6
107.08604	0.9
109.06533	0.4
109.10197	0.5
119.04934	0.4
119.08578	0.9
120.08064	0.6
121.02863	2.0
121.06539	1.0
122.06210	0.4
123.04427	4.6
124.04729	1.0
127.03926	0.9
130.08672	0.5
131.08611	0.6
131.42224	0.4
133.10156	0.6
135.04480	0.4
135.11739	0.7
136.07614	0.5
139.03920	3.3
140.04271	0.9
141.01851	2.2
147.04437	0.6
149.02348	100.0
150.02692	0.7
151.03842	0.7
153.01854	3.0
153.02921	0.7
161.05997	1.2
163.03886	1.1
165.05495	1.3
167.03397	0.9
167.07091	1.3
175.07544	3.2
177.05504	1.1
179.93442	0.4
181.04916	0.6
191.03418	3.2
192.03732	1.5
203.03406	0.8
203.07051	6.4
205.08595	7.5
205.10365	0.7
207.06558	0.5
209.10010	0.4
221.08073	1.2
223.09726	0.4
247.99109	0.4
277.14355	32.2
278.14767	0.6
287.01132	0.4
287.10126	0.6
295.15341	1.4
315.08560	1.2
345.09695	0.7
346.10339	0.7
596.63959	0.4
650.35620	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3022
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
53.03915	0.6
55.05503	3.1
57.03425	0.9
67.05508	5.2
69.03437	0.7
69.07071	1.7
71.04998	0.9
71.12357	2.0
79.05499	4.3
81.03433	5.6
81.07063	4.6
83.08628	1.3
91.05509	2.5
93.07037	2.8
95.04998	1.2
95.08602	3.2
97.02901	0.8
97.10165	2.1
105.07032	2.3
107.08589	2.1
109.02892	1.1
109.10172	2.4
117.07027	0.9
119.08568	2.0
121.10167	1.0
125.09636	2.4
131.08525	0.8
139.22560	0.7
145.10158	1.3
173.13329	0.8
181.57805	0.7
189.11218	1.2
227.12839	1.4
335.25952	1.6
359.74637	0.9
371.17184	0.7
395.28937	0.8
402.82156	0.8
403.19333	1.7
405.21198	1.4
415.19519	1.2
416.20407	1.1
417.20761	2.5
419.22574	0.8
430.17691	1.4
431.18149	5.3
432.23492	1.5
433.24008	4.1
444.19162	1.4
445.20065	7.4
446.20618	1.7
447.21765	1.6
459.22137	7.0
460.22839	3.5
461.23297	4.0
471.21597	0.8
473.19287	6.1
474.20450	1.2
475.25366	1.0
487.21512	3.2
489.22934	0.9
501.22601	1.0
502.23984	3.3
503.24500	5.1
505.21576	0.8
505.35059	1.2
515.24762	1.1
519.24554	1.4
531.24030	1.3
545.21625	0.9
546.26208	1.4
547.27057	11.5
547.34711	1.0
548.27472	0.8
559.23273	1.0
561.25543	3.2
589.28143	20.6
607.29352	2.8
649.30206	100.0
650.30212	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	649.3948
Annotation	Rubuside H
Peak:m/z	Relative Intensity
52.33002	3.6
52.46693	3.2
53.03942	10.4
54.73436	3.3
55.01875	6.3
55.05516	35.9
55.65879	3.2
56.02085	3.2
57.03442	17.2
57.07068	5.6
61.02925	7.0
65.03941	6.6
67.05511	100.0
67.55229	3.2
68.02915	3.5
69.03430	24.9
69.07090	21.5
69.37888	17.2
69.38309	12.0
71.01350	3.8
71.04993	9.5
73.02920	4.8
79.05138	3.9
79.05505	47.1
81.03427	46.9
81.07073	58.0
82.03714	3.3
83.04979	12.0
83.08628	16.2
85.02889	15.3
85.06535	7.1
87.76584	3.9
91.03927	4.3
91.05489	54.6
93.07046	44.7
95.04987	10.3
95.08627	30.0
97.02898	21.1
97.06551	8.4
97.10183	18.9
99.04413	4.3
105.07052	38.4
107.08585	27.4
109.02874	8.3
109.10163	50.5
111.04456	5.6
111.05442	3.3
111.08092	4.0
117.07022	22.4
119.08626	29.6
121.06559	5.8
121.10146	20.1
125.06107	3.2
125.09642	19.2
125.57024	4.6
127.03946	10.7
128.06241	5.9
129.05486	3.5
129.07036	18.0
130.07858	3.7
131.08565	37.5
133.06587	3.9
133.10136	21.7
135.08047	7.8
135.11693	15.1
137.09613	6.3
141.07010	5.8
143.08566	20.2
145.06557	5.2
145.10143	33.6
147.11684	12.0
149.09682	4.7
149.13234	3.7
155.08557	13.3
155.10637	3.9
157.06488	5.0
157.10143	15.8
159.08055	4.3
159.11662	19.6
161.09602	3.5
161.13257	11.9
164.22073	3.9
167.08597	8.6
169.10159	10.1
171.10286	3.8
171.11703	15.1
173.09624	5.1
173.11736	15.9
173.13300	14.7
175.11221	4.2
175.14844	9.1
180.72459	3.5
181.10074	7.5
183.11710	13.9
185.09489	4.7
185.13252	13.4
187.14787	5.6
188.74023	4.0
189.11218	13.4
195.11763	7.7
197.13286	9.1
198.60262	3.3
199.11147	4.3
199.14906	5.2
207.21530	3.8
209.13329	6.2
211.14825	4.2
218.05083	3.7
221.13406	4.1
223.14833	5.6
227.12671	9.2
229.14297	19.4
245.13768	7.0
257.19052	5.8
259.20654	8.0
271.20718	6.0
271.93362	3.2
289.21817	4.8
301.21558	7.6
313.21652	4.4
325.21622	4.7
333.24237	8.5
335.26004	3.4
351.23260	4.3
367.22470	6.1
371.16861	5.5
373.18713	5.1
375.25439	4.4
385.23849	4.4
387.25662	4.5
395.29526	6.3
403.24942	4.7
469.32932	4.2
487.34259	78.8
505.35455	3.7
571.36438	5.6
583.36304	4.3
595.36426	17.7
613.37006	10.1
631.38306	33.3
649.39587	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
52.47426	0.3
53.03943	0.7
55.01874	1.7
65.03955	1.5
67.05504	2.1
68.99794	1.1
69.03418	0.5
69.07050	0.5
70.75801	0.5
70.76128	0.4
77.03919	0.5
79.05499	1.4
81.03408	1.1
81.07062	0.7
83.01344	0.5
83.04984	0.5
85.02921	0.6
85.72294	0.3
87.98489	0.3
91.05483	0.9
93.03406	1.7
93.07059	0.6
94.04177	0.4
95.04974	3.4
95.08611	0.8
97.02894	0.9
103.05499	2.4
105.03383	1.5
105.06992	0.3
107.04961	1.8
107.08598	0.5
109.02876	2.0
109.06538	1.0
109.10155	0.7
111.04461	2.1
115.05484	0.3
117.07001	1.7
121.02866	0.7
121.06534	0.5
121.10119	0.4
122.03676	0.7
123.04434	7.9
125.02428	0.4
125.06000	1.3
127.03915	1.1
131.04059	0.2
131.04927	5.9
131.08511	0.3
132.78967	0.3
133.02853	6.3
135.04428	5.3
135.08020	0.4
137.05986	15.6
139.03909	41.1
140.04298	0.3
141.05539	0.4
144.05772	0.3
145.02841	0.7
145.06468	3.1
145.10098	0.3
147.04439	1.1
149.06056	0.5
149.13397	0.3
151.03909	100.0
152.04253	0.8
153.01825	1.7
153.05487	5.9
157.06485	0.5
159.04436	1.0
161.06024	0.6
161.43611	0.3
163.03917	16.7
163.07576	1.8
165.05511	2.3
169.04982	6.6
173.05952	0.5
175.03947	1.7
175.07504	0.6
177.05498	2.0
177.09111	1.7
179.03481	1.4
181.04964	5.3
181.06474	0.6
185.05960	1.9
187.07516	2.0
189.05479	5.4
191.07025	1.5
191.08601	1.2
193.04938	3.3
195.06493	2.0
197.06071	0.4
199.07394	0.4
203.07069	1.2
204.06633	0.3
205.05051	1.5
205.08609	4.6
209.06094	0.4
213.05505	1.2
215.07018	0.7
219.08049	2.7
222.90063	0.3
223.06006	0.5
227.07088	0.8
231.06564	1.5
233.08081	2.6
237.05528	0.5
237.55814	0.3
241.04907	0.6
247.07693	2.6
251.10757	1.3
255.06563	1.3
258.05234	0.4
259.05969	1.8
261.09082	0.4
265.05151	0.4
273.07526	0.8
277.07129	0.9
279.10190	3.6
283.06042	1.2
289.06897	0.8
301.07083	3.8
301.10489	0.3
301.11578	0.3
311.12820	3.8
313.11655	0.4
319.08136	70.8
320.08548	1.6
329.13846	52.1
330.14221	1.0
367.12753	0.5
391.76230	0.3
474.16220	0.3
479.17258	0.4
597.23071	0.5
615.24420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42645	0.5
53.03938	0.8
55.05496	0.5
61.33259	0.4
66.04699	0.6
67.05504	1.6
68.05022	1.0
69.03438	0.5
69.07064	6.2
69.83333	2.1
70.04183	0.4
70.06559	0.5
79.05479	0.5
80.05000	0.8
91.05459	1.2
93.05796	1.0
94.05965	0.5
94.06563	9.7
95.04944	1.8
97.06510	0.6
98.21509	0.5
105.05762	0.5
106.04237	0.5
106.06573	1.0
108.08074	2.3
110.06051	1.4
112.07615	1.9
116.05008	1.3
118.06538	1.3
120.04464	0.6
120.08115	0.9
122.06027	29.6
123.04436	0.7
130.62273	0.5
133.05319	0.5
134.06030	2.6
140.07060	45.6
143.08557	0.6
144.04460	4.2
146.06009	17.0
147.06807	1.6
148.07549	3.9
152.07071	1.9
153.01869	0.8
160.07639	1.1
162.05487	4.1
163.06306	1.2
166.05118	0.5
166.08630	0.8
170.09621	0.9
172.03926	26.1
173.03352	0.5
173.04628	2.8
174.05496	24.3
175.06201	0.8
176.07054	14.0
177.07878	0.6
178.08684	1.6
182.09686	0.6
185.10686	0.6
187.08723	0.6
187.12376	0.5
188.07088	1.1
190.04951	6.2
191.05788	1.8
192.06581	2.0
197.07100	1.3
197.10805	1.5
198.07700	0.9
198.09283	1.0
199.08546	2.6
200.09352	0.9
201.10239	0.9
202.08627	0.8
204.06555	45.8
206.08125	16.2
209.10710	0.8
210.09343	0.6
211.08617	3.3
211.12207	0.7
212.09453	1.5
213.10197	4.0
214.08698	0.6
214.10939	0.6
215.11823	3.6
216.10226	0.9
223.08704	1.0
223.12251	0.5
224.09492	1.5
225.10170	5.4
226.08867	0.7
226.11018	1.7
227.08186	0.7
227.11803	1.6
228.12564	0.7
229.09732	1.0
236.09488	1.1
237.10173	2.6
238.10983	1.2
239.11749	3.2
240.12524	0.6
241.09776	2.5
241.13203	0.8
243.11285	17.1
244.09760	0.6
244.12149	0.5
245.12885	0.7
249.10170	1.0
251.08098	0.7
251.11896	1.7
252.09026	0.7
253.09659	0.9
253.13333	0.6
254.10516	1.4
255.11354	2.0
256.12189	2.1
257.09225	1.0
257.12888	1.4
261.12381	3.4
262.08582	0.6
263.08246	1.2
264.09058	1.1
265.09641	4.4
266.10519	1.4
267.11319	3.6
269.09229	3.1
269.12671	0.5
270.10095	1.2
271.10828	2.5
272.11728	0.8
273.12418	1.1
276.15027	0.6
277.09735	1.3
277.13516	0.4
278.10510	0.8
279.11304	2.0
280.12219	0.8
281.09256	0.6
281.12918	0.6
283.10745	8.3
284.11557	1.8
285.09149	0.9
285.12314	18.1
287.10358	4.9
287.13983	3.5
290.13144	0.6
291.11365	0.7
291.17432	0.6
292.11978	0.6
295.11093	0.8
296.11572	1.1
297.08902	0.7
297.12357	1.8
299.10345	4.5
299.13928	1.3
300.12091	1.5
300.15179	0.9
301.11597	2.8
302.13016	2.1
302.16455	0.8
303.13382	46.4
304.14429	3.5
307.10773	0.8
309.12482	1.3
311.10266	1.2
311.13651	0.6
312.11810	0.6
313.11810	45.2
314.12671	1.4
314.16620	1.4
315.10248	0.9
315.13879	0.8
316.11398	2.6
316.13873	2.5
317.11865	0.8
317.15298	2.5
318.16013	4.8
319.16882	4.2
323.10349	1.5
325.11801	0.7
326.16647	0.7
327.13828	1.1
328.11099	0.6
328.14651	1.0
329.11761	1.6
329.15363	0.7
330.12469	3.8
330.15997	1.7
331.12970	10.5
331.16748	0.7
332.13885	2.0
332.17657	2.0
337.11920	0.7
340.14487	1.1
341.12131	0.6
342.12595	1.0
342.16321	0.8
343.13675	2.2
344.14026	4.0
345.14493	26.7
346.15488	7.7
347.16354	5.4
348.17020	1.2
356.14014	1.0
357.14984	1.5
358.11652	0.8
358.15778	3.3
359.12485	0.7
359.16510	1.4
360.17120	6.4
362.14865	1.0
362.18866	0.8
363.15506	0.8
367.17227	1.2
368.14377	1.0
370.11636	3.0
370.16019	1.0
371.12491	3.2
372.13324	9.8
372.16833	0.9
373.14224	5.2
373.18372	0.8
374.14902	5.9
374.18527	0.5
376.16711	1.5
378.18143	1.6
379.18665	0.7
381.10886	1.2
383.12878	0.5
384.13177	0.7
384.17413	0.7
385.14410	3.2
386.14993	13.6
387.15762	11.5
388.16562	10.0
390.14264	1.2
396.13306	0.8
398.14972	0.8
400.12433	1.0
400.16660	1.8
401.13348	1.4
401.17514	1.7
402.14496	2.5
402.19208	2.3
403.15256	0.6
404.16171	6.0
405.16794	3.5
406.17657	8.6
408.19156	0.7
410.15036	0.8
412.16559	0.8
414.14417	9.8
414.19522	0.7
415.15289	23.1
416.16037	30.1
417.16263	1.0
418.18243	2.7
419.18451	0.6
428.15903	2.9
429.16785	1.3
430.17776	6.5
431.18228	1.7
432.15140	3.7
433.16290	6.3
434.17023	7.4
438.14398	0.7
445.16931	0.7
446.17120	9.4
447.17920	3.0
456.15518	5.1
457.16168	0.7
458.17038	1.2
460.14954	1.6
474.16589	39.7
475.17365	18.5
476.18225	10.4
499.21295	1.1
506.19232	5.8
507.20181	2.6
543.20709	1.3
547.26453	0.5
571.25610	2.7
573.23285	4.3
597.23456	9.1
603.22626	1.8
615.24457	100.0
616.24872	2.9
647.20190	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	645.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.0
53.84241	1.8
55.01871	9.4
55.05513	50.7
57.03442	15.5
57.07075	35.4
57.10022	1.8
58.04216	2.4
59.04996	18.0
65.03945	5.2
67.05506	83.1
69.03416	3.9
69.07071	33.7
71.04979	6.6
71.08633	36.2
72.05777	3.9
73.06538	6.0
75.04504	2.5
79.05495	69.6
81.03407	6.5
81.07059	81.4
83.04997	14.5
83.08621	33.6
85.02874	5.1
85.06532	3.4
85.10190	27.4
87.04468	8.8
89.06021	8.5
90.01921	11.9
91.05484	48.8
93.07047	79.9
95.04974	65.0
95.07994	3.2
95.08608	53.4
97.06517	6.5
97.10173	17.8
99.04406	4.7
99.08093	4.3
99.11705	2.8
101.09709	3.2
103.05473	2.0
105.04482	2.8
105.07031	35.5
107.04987	9.9
107.08595	50.3
109.06493	5.6
109.10159	25.1
111.04444	11.5
111.08074	9.1
117.07031	16.3
117.09117	6.1
119.08590	29.0
121.06504	2.7
121.10143	33.9
123.08052	7.0
123.11720	10.0
125.06004	2.0
125.09635	13.5
129.07011	5.5
131.08572	21.2
133.06503	2.1
133.08594	3.4
133.10136	19.2
135.08037	6.9
135.11693	17.5
139.11206	3.3
141.16382	3.0
143.08588	3.3
145.10147	22.5
147.08020	4.0
147.11668	13.0
149.09628	23.3
149.13226	8.9
149.55219	2.1
153.12675	2.7
157.10104	4.1
159.11745	15.1
161.11798	2.7
161.13264	7.3
163.11169	25.5
163.14830	2.4
165.12718	3.0
169.10159	2.7
169.15794	3.0
173.13268	6.7
175.14784	3.7
177.12688	3.9
179.14160	3.9
185.13211	2.5
185.32309	2.2
187.11150	3.2
187.14879	2.6
189.11186	16.7
189.12646	2.9
199.20578	4.9
205.12242	5.0
211.13263	2.4
223.13275	46.0
227.12759	2.1
229.19485	4.7
239.17781	2.5
243.21117	3.2
257.19009	9.2
261.22098	14.1
275.20059	65.0
277.21664	5.1
293.21118	40.4
317.24844	5.8
335.25806	100.0
349.23785	6.0
351.25607	3.4
367.20807	1.6
367.24869	30.1
402.72171	2.1
406.35394	4.0
486.61868	2.1
494.40436	4.0
609.45221	4.0
627.46173	47.4
645.46503	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	646.505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	42.0
58.64682	13.2
67.05511	80.6
69.07082	41.3
71.51373	30.6
73.35442	13.1
79.05499	94.5
81.07072	91.7
82.07407	17.2
91.05500	71.3
93.07059	100.0
95.04962	15.2
95.08613	70.6
99.63293	15.7
102.92881	15.8
105.07050	45.1
107.08622	47.2
109.10152	54.5
117.07030	18.8
119.08613	67.7
121.10137	55.5
123.11706	22.7
123.69833	14.0
131.08600	41.8
133.10161	39.9
135.11710	38.7
145.10104	28.5
147.11678	34.2
149.13200	21.2
149.87119	15.1
161.13287	15.2
173.13304	17.0
259.20605	56.7
324.32336	16.5
333.24323	23.9
335.25821	42.1
366.49622	14.0
489.91193	16.4
542.86816	16.4
563.76056	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	645.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.1
57.03440	1.5
57.07071	3.4
63.97448	0.6
67.05502	7.3
67.48920	0.8
67.90954	0.6
69.07064	3.2
70.65513	0.8
71.08633	2.4
71.51480	1.0
73.91569	0.8
79.05499	2.7
81.07054	5.4
83.08620	1.8
85.10178	1.2
89.05991	0.9
91.05478	2.6
93.07043	4.3
93.47974	0.8
95.08620	4.4
97.06570	0.8
97.10179	1.1
99.08154	0.9
99.53761	0.8
105.07043	1.8
107.08599	2.9
109.10206	2.1
113.00123	0.9
119.08558	1.1
121.10159	2.9
129.89661	0.8
131.08536	1.0
133.10144	2.0
135.11670	1.0
149.13229	0.9
333.20340	7.6
389.22916	5.6
533.41888	8.1
559.39819	1.0
645.47052	100.0
646.47595	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	645.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.6
55.01867	6.0
55.05514	33.7
57.03435	11.8
57.07080	21.7
59.05008	19.7
65.03929	5.3
67.05506	99.7
69.03424	4.5
69.06720	3.7
69.07069	36.7
69.95090	1.8
71.04998	5.7
71.08633	24.6
72.08967	4.5
79.05495	64.7
81.03437	2.3
81.07059	100.0
83.04978	8.3
83.08635	17.5
85.06554	4.0
85.10182	20.1
86.10538	3.5
87.04469	6.9
89.06039	28.3
90.06359	4.7
91.05484	44.4
93.07043	64.4
95.04961	12.0
95.08607	68.9
97.06528	9.2
97.10166	8.9
99.08131	3.1
105.04488	2.4
105.07028	40.5
106.07376	2.2
107.04970	11.7
107.08601	48.1
109.06519	8.5
109.10155	33.6
111.08061	3.3
111.11740	2.5
115.05476	2.7
117.07024	17.8
117.09150	2.7
119.08582	39.1
121.06494	5.5
121.10149	32.5
123.08078	6.4
123.11704	11.7
125.09645	8.4
128.06180	2.7
129.07031	6.8
131.08574	27.7
133.08611	20.0
133.10124	28.2
134.08910	5.5
135.08046	7.0
135.11687	16.1
137.09599	7.2
139.11211	2.8
143.08574	8.4
145.10118	22.2
147.08051	3.6
147.11673	16.0
149.09618	7.3
149.13243	14.1
151.11174	2.3
155.08580	4.1
157.10126	7.2
159.11717	17.1
161.13255	10.6
163.11197	6.1
163.14816	4.1
165.09029	2.4
165.12674	3.5
168.09300	2.0
169.10167	4.1
171.11729	6.0
173.11874	2.8
173.13277	9.3
175.11182	3.0
175.14771	2.7
177.11215	7.3
177.12668	3.1
179.14232	2.9
182.42789	1.9
183.11722	4.3
185.13193	3.9
185.19029	4.2
187.14828	7.4
189.11272	4.7
191.14302	2.6
193.12276	2.6
197.13306	2.8
201.16415	3.6
211.14848	3.6
213.16348	2.3
217.15790	2.8
221.15543	2.5
227.12784	3.2
229.19579	4.0
239.17914	3.2
243.23291	3.1
244.23560	3.9
257.18964	5.9
259.20670	3.8
261.22150	23.1
273.18320	2.2
275.20081	37.6
277.21609	4.7
279.23175	4.4
293.21143	7.4
311.85040	2.3
317.24731	4.3
333.24237	3.2
335.25827	45.9
337.27435	2.8
349.23752	18.2
353.26721	2.1
367.24814	16.5
393.58527	2.7
535.41345	4.5
553.42255	4.7
585.21680	9.2
609.45038	17.8
627.46106	25.8
645.47760	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	645.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.9
53.03931	0.8
55.05519	3.8
57.07079	4.9
59.76390	0.7
65.03946	2.1
67.05509	10.3
68.99792	0.9
69.03436	2.6
69.07080	4.2
69.14468	8.5
70.06575	0.8
79.05493	2.7
81.07068	12.0
83.04990	2.4
83.08624	1.3
85.02915	1.5
85.06551	42.3
91.05492	2.3
93.03417	1.5
93.07045	5.6
95.04988	1.6
95.08614	10.3
97.02909	1.4
97.10186	5.8
99.04478	1.0
105.07038	4.1
107.04942	1.2
107.08589	4.2
108.05795	1.3
109.06504	1.2
109.10169	6.4
111.00847	1.8
111.04464	4.4
111.11720	1.2
119.08617	4.0
121.02862	1.6
121.06514	3.4
121.10164	3.5
123.04432	2.8
123.08076	5.6
123.11721	3.6
125.06039	2.3
125.09637	2.0
127.03944	3.0
131.08543	1.5
133.06451	0.8
133.10155	2.1
135.04411	1.5
135.08063	2.8
135.11693	3.0
137.05968	2.7
137.13257	1.9
139.03912	100.0
139.11096	1.2
140.04227	1.1
143.10707	2.6
145.10136	2.2
147.04375	1.1
147.11765	1.5
149.06030	5.3
149.13257	1.8
151.03964	5.0
151.07550	65.5
153.01842	5.8
153.05444	4.9
159.08058	1.2
159.11691	1.8
161.05966	0.9
161.09598	0.9
163.03896	9.8
163.11234	1.8
165.09113	1.5
167.06987	1.3
173.09599	1.3
175.07605	1.4
175.11324	0.8
176.08392	1.0
177.05457	1.7
177.09125	5.8
177.16425	0.9
179.07060	1.3
181.04941	1.6
189.09123	1.7
189.12732	0.9
191.06982	1.1
191.10686	26.0
193.12314	1.3
195.06558	3.1
205.05038	3.8
205.12259	10.3
215.07251	0.9
285.12247	1.4
289.07123	14.1
303.05029	1.2
303.23282	2.9
309.24075	1.5
321.24237	4.4
339.25317	1.5
411.32605	3.4
429.33817	11.4
620.24005	1.0
645.31677	4.6
647.31519	1.0
661.41418	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82791	0.7
55.05505	2.5
57.03427	1.2
57.07077	2.2
67.05503	4.1
69.07055	3.0
69.64775	5.2
71.08623	1.8
71.55688	0.8
77.08587	0.8
79.05502	3.0
81.07060	6.1
83.08633	2.6
85.10201	1.0
86.40863	1.0
89.06031	1.5
91.05518	1.3
93.07062	3.3
95.08610	4.1
97.10168	1.7
98.21502	1.2
105.07041	1.2
107.08609	3.2
109.10183	1.2
121.10162	2.2
133.08621	1.0
149.13268	1.7
222.28458	0.9
241.17830	0.8
313.27530	1.0
333.20428	6.8
381.39307	0.8
389.23117	4.5
533.42047	8.0
533.73157	1.0
645.47034	100.0
646.47351	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	644.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92546	1.0
55.05502	3.6
57.07079	82.1
58.07398	1.1
59.05006	13.8
67.05506	4.4
69.07065	2.7
69.14742	5.5
69.15176	4.6
71.08636	60.1
73.06562	2.4
79.05492	3.8
81.07049	3.2
83.08604	1.9
85.10187	45.7
87.04473	11.5
89.06035	100.0
91.05456	2.1
93.07040	3.2
95.04983	1.5
95.08596	1.8
97.06528	1.8
97.10151	2.6
98.21349	4.2
99.11737	7.6
103.07594	9.1
105.07018	1.2
107.07091	1.5
107.08611	1.7
109.06511	0.9
109.10163	0.9
113.13287	3.4
117.09126	3.8
121.10154	1.0
130.08647	1.5
131.07056	4.6
131.08580	1.0
133.08607	75.7
141.16309	0.9
142.47835	1.0
155.17926	5.7
160.16415	0.8
160.66089	0.9
175.09669	4.7
177.11230	30.2
213.22180	4.3
219.12262	2.0
221.13873	5.7
236.01411	0.8
257.24771	4.0
265.16568	2.0
278.31531	0.9
283.17465	1.6
291.19412	1.4
327.20230	2.1
366.23627	1.1
371.22845	3.0
415.25385	11.1
455.28152	1.8
582.67291	1.1
627.46716	1.7
644.49261	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27735	15.7
57.07085	21.6
59.04989	17.0
71.52408	19.5
74.91909	14.8
89.06023	54.4
127.94830	16.7
133.08644	39.2
135.70503	17.8
158.01170	20.2
179.11514	15.9
244.34279	19.2
436.38171	19.8
645.24261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.1
55.01867	6.1
55.05513	12.6
57.03444	26.4
57.07927	2.4
58.51364	2.5
61.02933	83.1
67.05511	39.5
69.03438	30.0
69.07066	10.5
71.01348	4.0
71.04980	3.9
71.35648	4.3
73.02914	27.7
79.05501	32.0
81.03418	26.0
81.07057	38.7
83.04997	3.8
83.08624	6.3
85.02910	100.0
85.06535	3.4
87.04466	2.6
87.68725	2.3
91.03959	58.8
91.05487	23.6
93.06569	3.1
93.07054	34.7
95.04967	5.8
95.08612	36.4
97.02898	82.7
97.03526	4.5
97.10188	2.9
99.04456	11.2
101.02386	8.7
103.03928	9.2
105.07023	17.8
107.08596	17.9
109.02877	11.5
109.10153	19.9
111.04456	4.5
115.03938	7.2
117.05434	3.6
117.07015	6.8
119.08544	14.2
121.06498	3.9
121.10152	15.9
123.08064	4.0
123.11739	5.0
127.03929	34.7
129.05482	4.4
131.08545	10.8
133.10127	11.0
135.11693	9.6
136.40428	2.4
145.04974	16.9
145.10139	9.9
147.11674	8.9
149.13281	4.9
157.10201	4.5
159.11697	7.0
159.32901	2.5
161.13275	4.6
163.06068	6.6
163.14894	3.5
173.13269	7.3
183.06566	6.8
194.91245	2.6
201.07582	6.5
229.19394	6.5
247.20644	12.8
261.78238	2.6
263.20044	3.0
263.22922	2.6
321.24301	65.4
322.07565	2.5
387.46967	2.7
447.27316	3.5
465.28586	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	644.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.7
57.03433	2.3
57.07077	95.4
59.05003	28.6
67.05505	8.5
69.07060	5.8
69.23361	7.6
69.23776	2.3
71.08634	100.0
73.06565	1.5
79.05494	7.3
81.07058	8.4
83.04983	1.4
83.08610	5.5
85.06516	0.9
85.10182	88.0
87.04482	7.5
89.06033	74.0
91.05486	6.6
92.05827	1.6
93.07057	8.7
94.07366	1.7
95.04964	1.3
95.08616	6.8
96.08928	1.8
97.06523	1.3
97.10172	3.9
98.20727	1.8
99.11731	11.3
101.09665	2.1
103.07578	1.3
105.07031	5.9
106.07304	2.2
107.04929	1.5
107.07086	1.3
107.08597	3.5
108.08981	1.3
109.06543	1.0
109.10175	2.6
111.08073	1.4
117.07003	1.4
117.09151	5.4
119.08583	4.5
120.08959	1.0
121.10149	2.0
123.11717	0.9
130.08635	1.5
131.07034	3.6
131.08566	3.9
133.08607	57.1
133.10175	2.9
134.10461	2.0
135.11737	1.4
141.16399	12.0
145.10172	1.7
147.10159	1.0
147.11697	1.9
151.11124	1.2
157.10150	1.5
161.13271	1.5
163.11180	1.4
171.11743	1.0
172.12173	1.1
173.13271	1.5
175.09705	2.8
177.11247	25.3
177.12669	0.9
185.13255	1.2
192.06017	1.3
199.20587	20.1
221.13857	3.7
239.14903	1.0
240.23193	1.3
257.24796	7.9
261.21689	1.1
265.16800	1.3
269.76187	1.0
275.20001	3.1
276.20422	1.6
277.21512	1.3
283.17496	2.0
293.20428	1.2
327.20212	1.8
334.24698	1.7
335.25900	1.9
349.23682	1.6
353.21597	1.1
371.22702	13.2
411.25818	2.0
429.27005	2.0
459.28119	2.4
608.43744	1.3
626.44434	3.1
627.46149	1.6
644.47809	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.05516	3.2
57.03445	3.0
57.07067	0.7
59.26410	0.6
61.02925	4.9
67.05511	11.3
67.52013	0.6
69.03425	2.4
69.07075	4.2
70.06576	1.1
70.30296	2.5
71.04998	1.2
73.02909	2.0
79.05499	4.6
80.45615	1.0
81.03405	0.6
81.06590	1.3
81.07063	27.2
82.07379	0.8
83.04972	2.3
83.08624	3.1
85.02914	7.0
85.06545	7.3
86.06855	0.8
91.03941	3.6
91.05482	9.4
93.07038	5.0
94.19169	0.6
95.04981	1.6
95.08608	7.4
97.02891	2.6
97.06537	2.7
99.08089	2.6
103.05447	1.2
105.07049	14.1
107.04927	1.1
107.08582	6.3
109.06485	2.0
109.10139	1.6
117.07028	0.7
119.08583	8.4
121.06499	2.6
121.10149	8.4
123.08078	3.4
123.11708	11.5
127.03900	1.7
127.07540	1.2
131.04936	0.9
133.10130	4.0
135.08031	0.8
135.11742	0.7
137.05974	1.6
137.09610	1.9
137.13237	1.3
139.03934	1.9
145.04930	1.8
147.11696	36.4
151.03937	0.9
151.07545	15.9
152.07918	5.1
153.01849	5.0
157.10149	1.5
163.06053	2.3
163.07513	1.5
165.12762	16.5
167.07027	3.2
171.03006	0.7
175.11218	2.0
177.05563	1.3
177.09129	1.2
178.09392	0.8
178.82916	0.7
181.04948	3.9
183.13890	1.3
191.07019	4.1
191.10666	4.4
192.11008	2.0
193.12192	0.8
201.05609	1.1
205.12206	0.9
209.08099	2.1
217.05154	0.7
217.08560	0.9
229.14334	3.3
263.09238	1.4
267.15912	22.9
285.16977	100.0
286.17325	2.3
391.21866	0.7
436.12253	1.0
446.33398	1.8
447.22330	5.3
644.26215	0.9
645.26855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27026	0.7
50.84933	0.7
53.03947	0.9
55.01860	1.3
55.05509	5.4
57.03443	3.4
57.07084	0.9
60.86156	0.9
61.02932	5.7
63.95508	0.8
65.03947	1.8
67.05510	10.7
69.03430	3.6
69.07076	5.6
69.81151	2.2
69.81561	1.7
70.06593	2.6
71.04998	2.1
73.02906	1.6
73.33247	0.7
78.58545	0.7
79.05490	7.0
81.03424	1.2
81.06586	1.7
81.07063	30.4
82.07389	1.6
83.04973	2.9
83.08620	4.0
84.08155	1.4
85.02912	10.0
85.06541	7.0
86.09715	2.0
91.03965	5.5
91.05489	12.5
93.07053	9.0
95.04969	2.5
95.08612	12.0
96.08945	1.2
97.02898	3.7
97.06537	3.4
98.06033	1.0
98.21558	0.8
99.08096	2.1
101.06017	1.0
103.05474	1.4
105.07038	14.2
106.26114	0.9
107.08611	8.1
108.08920	1.0
109.06553	2.6
109.10168	5.6
111.08105	1.5
115.03944	0.9
115.05471	1.3
117.07040	1.8
119.04932	1.4
119.08588	12.0
121.06514	2.1
121.10149	10.2
123.04425	2.7
123.08089	4.4
123.11717	14.8
125.09649	4.0
126.09988	1.3
127.03913	1.9
127.07525	1.6
131.04944	1.2
131.08592	1.8
133.10130	2.5
137.06006	1.5
137.13307	1.8
139.03894	4.0
139.11179	1.4
142.34081	1.0
145.04958	3.2
145.06525	1.8
147.11708	33.6
149.06070	1.1
149.13318	0.9
151.03906	1.6
151.07555	30.3
152.07899	9.8
153.01788	4.0
157.10144	1.9
163.03912	1.0
163.06038	3.8
163.07428	1.0
163.11160	1.1
165.12782	14.5
167.07053	18.5
168.07387	5.7
171.06425	1.0
171.13800	6.3
172.14136	2.5
173.06027	3.6
173.13214	0.8
174.06367	1.7
175.07564	2.2
175.11209	2.4
176.08255	1.2
177.05461	1.7
177.09125	2.5
181.04945	8.0
182.05307	4.1
183.13774	2.2
188.08362	1.0
189.09097	1.0
191.10675	8.4
192.11003	5.2
193.12285	1.4
203.10674	1.1
205.12257	2.6
206.12645	1.2
207.06523	1.2
209.08075	1.0
217.08588	0.9
229.14302	5.5
242.08420	0.9
267.15939	35.5
268.16214	1.2
285.16986	100.0
286.17279	2.0
286.83197	0.9
295.26239	1.5
296.26828	1.2
303.18051	1.4
342.06805	0.9
357.13367	1.0
385.12918	2.4
386.13129	5.0
387.14075	1.2
417.15765	1.2
428.32498	2.8
446.33368	1.4
447.22714	1.4
644.23969	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.9
55.01879	8.1
55.05513	37.3
57.03443	11.4
57.07059	4.0
65.03941	6.6
67.05508	86.6
69.07066	33.4
71.05000	6.7
71.51331	3.2
79.05495	71.5
80.36015	3.4
81.03407	3.9
81.07057	100.0
83.04970	5.1
83.08640	20.5
85.02937	2.9
85.06538	3.6
91.05487	82.9
93.07050	60.7
95.04986	12.0
95.08620	53.2
97.06557	8.3
97.10180	10.3
103.05470	3.2
105.07034	71.0
106.44151	3.1
107.04986	9.6
107.08612	38.4
109.06521	12.0
109.10162	32.7
111.08071	4.6
115.05404	4.4
117.07039	24.1
119.08589	70.5
121.06542	8.5
121.10162	32.3
123.08111	9.5
123.11712	8.9
125.09623	7.9
129.07025	12.9
131.08585	31.6
133.10126	37.4
135.08081	6.5
135.11731	16.8
137.09584	5.9
143.08582	12.8
145.10117	27.4
147.08070	3.8
147.11697	43.4
149.09619	12.6
149.13269	11.2
155.08580	6.2
157.10152	15.8
158.19911	3.1
159.11684	28.2
161.09657	4.2
161.13261	27.5
163.11243	7.0
163.14830	6.2
165.12794	4.5
169.10156	6.8
171.11693	14.2
173.11974	3.0
173.13248	19.3
175.11246	4.6
175.14810	11.7
183.11716	6.4
185.13263	9.5
187.11186	3.3
187.14880	6.6
188.85870	3.8
197.13365	5.9
199.14784	4.2
201.16560	5.1
229.19594	3.4
230.85379	2.9
231.21172	5.3
240.60744	3.0
241.19511	32.3
247.20619	2.9
257.19055	9.1
259.20590	55.0
275.20050	48.9
276.20474	4.2
293.21002	7.4
315.23291	3.8
329.21225	3.1
330.49356	3.4
333.24280	45.5
335.25690	6.8
349.23727	9.3
367.24866	33.4
446.49902	3.2
515.37799	4.1
533.39630	6.4
545.38062	3.3
551.41119	6.6
607.43024	11.6
625.44672	20.1
643.45612	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	643.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
53.03941	5.5
55.01874	7.7
55.05268	1.9
55.05515	24.3
57.03450	7.5
57.07079	2.7
65.03947	4.1
67.05508	66.4
68.05840	1.3
69.03423	2.5
69.06732	1.7
69.07073	26.2
70.97832	1.0
71.04993	5.2
71.08624	1.5
71.51205	2.1
74.59478	1.2
79.05498	57.2
81.03436	4.8
81.07059	100.0
82.07381	3.1
83.04984	7.2
83.08625	15.7
85.06542	4.9
91.05485	62.5
92.05833	2.1
93.07044	55.7
95.04974	13.2
95.08613	41.4
95.09064	1.0
97.06536	11.6
97.10181	5.4
99.08100	4.1
103.05503	2.3
105.07034	71.6
106.07392	1.8
107.04964	9.5
107.08598	34.2
108.08978	1.4
108.52601	1.1
109.06517	16.8
109.10158	16.5
111.04515	1.4
111.08099	5.0
115.05477	2.7
116.06294	1.6
117.07025	16.8
119.08587	54.3
120.08936	1.3
121.06516	5.0
121.10141	24.2
123.08040	5.6
123.11719	10.5
125.09635	3.5
128.06247	3.3
129.05530	1.5
129.06990	11.1
130.07796	1.2
131.08577	27.3
133.06500	1.3
133.10136	35.1
135.08051	4.1
135.11708	14.9
137.09654	3.6
139.11223	2.2
141.07054	1.5
142.07755	1.7
143.08588	11.1
145.10124	26.1
147.08047	3.2
147.11700	42.4
149.09622	7.3
149.13258	10.7
151.11220	3.0
155.08601	3.4
156.94562	1.1
157.10144	11.0
159.08101	1.5
159.11681	19.0
161.09656	3.8
161.13272	24.8
163.11191	7.5
163.14812	4.2
165.12776	7.6
168.09251	1.2
169.10115	4.4
171.11681	10.9
173.09787	1.5
173.13271	13.8
175.11218	5.0
175.14806	13.8
177.12758	5.5
179.14288	1.4
181.10144	1.6
183.11736	2.7
185.13254	8.8
187.14848	5.3
189.12875	2.5
189.16368	1.8
193.12285	2.7
195.11836	1.5
195.13680	1.4
197.13322	1.8
199.14874	5.9
201.12564	1.3
201.16458	1.5
203.14380	2.1
213.16289	1.9
215.17943	3.1
217.15953	1.3
217.19626	1.3
229.19524	3.2
231.21103	5.2
237.14682	1.4
239.18021	3.7
241.19511	24.1
243.21146	1.5
247.20728	2.0
257.19022	7.9
259.20581	43.3
273.18631	2.2
275.20059	39.4
276.20410	4.4
277.12708	1.3
277.21484	4.8
291.19589	1.6
293.21075	9.8
315.23096	5.5
333.24268	44.5
334.24487	1.4
335.25589	2.5
349.23758	6.7
350.24164	1.7
351.25153	4.4
365.23505	1.4
367.24765	22.3
495.18948	1.3
515.37531	2.6
516.03540	1.2
533.39728	2.7
551.40601	4.5
583.20343	5.3
607.43469	3.0
625.44409	13.4
643.22278	5.1
643.44690	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	643.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01873	9.0
55.05516	22.1
57.03193	1.9
57.03442	22.4
57.07069	2.3
65.03941	6.7
67.05508	81.1
69.03424	2.6
69.07069	14.8
69.81924	5.5
69.82346	2.5
71.04985	2.9
77.03896	1.5
79.05496	51.4
81.03426	2.5
81.07058	59.8
83.04970	3.3
83.08628	6.3
85.06544	9.9
88.75401	1.3
91.04918	1.2
91.05490	35.5
93.07050	48.5
95.04974	53.3
95.08616	36.4
97.06567	5.7
97.07061	1.3
97.10162	4.5
98.21556	1.6
105.04530	1.9
105.07037	26.7
107.04967	10.6
107.08599	26.2
109.06525	64.3
109.10154	12.9
111.08062	2.6
113.05238	2.5
113.06013	34.2
113.09572	1.2
115.05446	3.4
117.07022	15.6
119.08576	20.7
121.06482	5.2
121.10149	16.7
123.08068	2.9
123.11725	3.2
123.79609	1.2
128.06189	3.1
129.07034	8.1
130.07791	2.0
131.08582	20.0
133.06551	2.7
133.10135	13.7
135.08060	44.7
135.11685	14.0
143.08569	9.7
145.10123	16.2
147.08055	6.9
147.11682	7.9
149.09674	7.4
149.13255	3.9
151.11153	2.7
157.10117	9.3
159.08011	1.6
159.11681	10.0
161.09602	7.2
161.13278	4.3
162.93686	1.2
163.11201	3.7
169.10144	2.5
171.11691	4.6
173.13223	4.4
175.11192	2.4
175.14896	1.7
177.12764	2.2
183.11630	2.4
185.13232	2.3
187.11140	1.7
187.14815	2.1
189.11249	1.4
189.12790	1.2
195.12016	1.4
195.13800	2.7
199.11113	1.4
199.14841	5.4
201.12677	1.4
217.15891	16.0
219.13725	1.4
223.13268	1.5
227.12706	1.3
227.17957	2.6
233.15346	1.4
241.19763	1.4
245.18997	3.3
255.17459	1.9
259.20578	2.5
261.22095	1.8
273.18512	40.7
275.20065	4.6
288.70767	1.3
291.19547	100.0
292.19797	1.9
333.24280	3.5
335.25818	69.4
347.22070	7.4
349.23712	1.8
364.90402	1.5
365.23270	9.5
607.43787	5.6
625.44800	28.5
643.44684	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.3
53.03935	5.2
55.01873	10.1
55.05265	2.2
55.05512	30.3
57.03453	11.1
57.07066	1.8
65.03938	4.1
67.05508	84.4
69.03427	3.2
69.07072	31.9
71.04992	7.8
71.08624	1.5
79.05495	64.7
80.05815	2.1
81.03410	3.2
81.07060	100.0
82.07382	3.0
82.09155	1.4
83.04987	8.0
83.08624	16.3
85.02872	2.1
85.06543	4.8
87.32527	1.6
91.05485	71.1
92.05815	2.9
92.42259	1.3
93.07049	64.8
94.07368	3.0
94.22118	1.3
95.04968	10.9
95.08611	56.7
96.08947	1.6
97.06546	10.4
97.10157	6.6
98.21542	3.4
99.08100	5.4
103.05477	2.3
104.08239	1.4
105.04513	1.7
105.07034	78.7
106.07374	3.1
107.04964	8.0
107.08606	34.9
108.08937	1.6
109.06514	9.7
109.10152	28.0
111.04456	1.4
111.08070	5.4
113.09655	1.4
115.05439	3.6
117.07032	24.3
118.07349	1.8
119.08591	62.9
120.08896	3.4
121.06509	6.5
121.10146	29.2
122.10470	1.8
123.08080	10.8
123.11729	11.1
123.92286	1.3
125.09615	4.8
128.06242	3.5
129.07036	13.7
130.07748	2.3
130.19324	1.4
131.08578	37.4
133.10132	42.1
134.10451	2.2
135.08102	7.3
135.11696	19.0
137.09589	5.1
139.11220	2.5
141.07010	2.8
142.07759	2.5
143.08598	12.9
145.06491	1.9
145.10121	30.2
147.08009	4.0
147.11694	45.1
149.09674	8.4
149.13249	13.1
151.11122	2.2
154.07777	1.9
155.08525	6.6
157.10130	14.9
159.08038	2.2
159.11702	21.1
161.09576	3.6
161.13263	27.1
163.11124	7.0
163.14828	5.0
165.12758	4.9
169.10138	9.0
171.11670	14.8
173.09627	2.0
173.11903	2.8
173.13261	16.8
175.11186	3.8
175.14851	15.1
177.12787	3.4
181.10187	2.9
183.11696	6.5
185.13249	13.7
187.14810	5.0
189.11272	2.1
189.12769	3.3
189.16397	2.1
193.12189	2.2
195.11664	4.4
197.13214	5.4
199.14801	6.5
201.16428	4.2
203.14360	1.6
209.13306	2.3
211.14769	3.4
212.08881	1.8
213.16397	2.6
215.17946	4.5
217.19470	1.9
223.39851	1.6
225.16408	2.0
227.12833	2.2
231.21143	6.0
239.17975	4.8
241.19537	24.9
243.21262	1.8
247.20546	2.7
257.19046	11.5
259.20590	42.4
259.23361	2.0
261.22134	3.7
273.18475	4.3
275.20099	45.5
276.20346	2.8
277.21582	2.9
291.19412	2.4
292.99646	1.4
293.21057	8.4
313.21765	1.6
315.23087	4.6
333.24295	40.7
335.25824	5.0
349.23752	8.8
351.25232	3.2
365.22726	1.6
367.20496	2.1
367.24771	25.7
372.26175	3.5
373.46878	2.0
445.29440	4.3
446.29877	29.3
454.08435	1.5
463.31183	2.0
464.30630	8.8
515.37610	4.0
527.36975	2.3
533.26385	1.9
533.40088	4.7
551.40662	6.6
607.43628	11.5
625.44647	21.1
643.45642	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	643.457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
51.10590	1.0
53.03943	6.9
55.01887	5.5
55.05264	1.7
55.05511	20.8
57.03442	9.2
57.07063	2.7
60.16400	1.0
65.03926	3.0
67.05509	55.0
68.05836	1.2
69.03440	1.9
69.07069	26.2
70.30489	3.7
71.04982	4.7
71.08640	1.6
79.05499	49.4
81.03414	2.0
81.07063	100.0
83.04990	6.3
83.08620	11.7
85.06534	3.9
91.05487	54.5
93.07047	52.0
93.07539	0.8
95.04431	1.2
95.04977	9.4
95.08616	38.5
97.06564	6.6
97.10155	4.0
99.08077	2.9
105.04484	1.4
105.07037	58.1
107.04977	7.9
107.08604	31.4
109.06525	14.2
109.10164	13.8
111.08069	5.6
113.49563	1.0
115.05464	2.3
117.07007	15.9
119.08589	54.7
121.06505	4.4
121.10151	19.3
123.08072	4.7
123.11703	10.1
125.09631	1.1
127.07613	1.6
128.06238	2.0
129.07022	9.1
130.07819	1.2
131.07600	1.6
131.08577	24.0
133.10147	36.4
135.08047	4.5
135.11697	16.7
137.09607	4.4
137.13306	1.9
141.06976	2.7
142.07745	1.8
143.08575	9.9
145.09044	1.9
145.10135	24.9
147.08121	2.0
147.11694	39.6
149.09627	8.0
149.13277	11.3
151.11153	2.8
153.25333	0.9
157.10144	9.4
159.08067	1.6
159.11710	19.3
161.09584	2.2
161.13272	25.6
163.11198	7.5
163.14830	2.8
165.12761	5.7
167.08536	1.3
169.10127	3.6
171.11667	8.9
173.13289	11.2
175.11238	5.4
175.14857	12.6
175.33656	1.1
176.68152	1.0
177.12790	3.4
179.14311	1.5
183.11719	3.5
185.13287	7.2
187.11215	1.2
187.14842	4.1
189.12694	1.5
189.16409	1.5
193.12233	2.8
195.11841	1.5
195.13800	1.7
197.13309	2.2
199.14819	4.8
201.16417	1.4
213.16402	3.2
215.17996	2.5
217.15916	1.3
217.19373	1.4
229.19438	1.6
231.21069	4.8
239.17981	1.7
241.19533	22.0
247.20647	1.6
257.18970	7.2
259.20602	41.4
260.20612	1.2
261.22183	1.1
267.15863	1.3
273.18481	1.9
275.20090	34.1
276.20416	1.3
277.21744	2.4
293.21121	9.7
301.68811	1.0
315.23154	5.0
333.24277	41.6
349.23618	5.3
351.25241	2.9
362.80365	1.1
365.23126	1.4
367.24817	23.7
515.38086	2.5
533.39929	2.0
551.40863	3.3
607.43231	4.0
625.44641	10.6
643.45319	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	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
55.01860	1.6
55.05508	4.2
57.03419	1.3
57.07064	0.6
59.04972	0.5
67.05186	0.8
67.05508	9.2
68.05847	0.5
69.03405	0.7
69.07074	3.8
69.88364	0.4
71.04971	1.5
71.08626	0.4
79.05089	0.5
79.05499	8.4
81.03409	0.6
81.07059	10.0
82.07368	1.0
83.04967	2.2
83.08614	1.8
85.06539	0.7
91.05483	8.2
92.05798	0.8
93.07043	8.0
94.07359	0.8
95.04958	2.0
95.08609	6.5
97.06512	1.9
97.10161	1.0
98.20625	0.9
98.48652	0.5
99.08057	0.8
105.07030	7.3
106.07341	0.9
107.04935	1.5
107.08585	5.1
108.08916	0.6
109.06512	1.4
109.10175	2.3
109.77824	0.5
111.08044	0.5
116.33437	0.4
117.07027	2.4
118.07358	0.6
119.08580	5.2
120.08886	0.7
121.06491	1.0
121.10170	3.0
123.08083	1.3
123.11658	1.0
125.09642	1.0
128.06244	0.5
129.06992	1.1
131.08545	3.8
133.06488	0.5
133.10132	3.9
133.93616	0.5
135.07979	0.8
135.11688	1.4
137.09654	0.7
143.08537	1.5
145.10135	2.6
147.11656	2.9
149.09613	1.5
149.13275	0.9
151.11215	0.9
155.08543	0.8
157.10100	1.4
159.11700	1.5
161.13213	1.2
163.11116	1.0
165.12738	0.7
168.94197	0.5
169.10146	0.8
171.11842	0.6
173.13272	0.8
175.14784	0.5
179.14395	0.7
183.11691	0.7
185.13179	0.5
187.14854	0.5
195.13837	0.6
197.13338	0.6
199.14894	0.6
227.12827	0.7
239.17920	0.7
257.19022	1.1
259.20551	1.3
261.22098	0.7
273.18600	1.3
275.20081	4.1
276.20407	1.8
277.21454	2.1
291.19537	1.6
293.21216	0.8
333.24310	1.3
335.25708	1.1
349.23462	1.1
350.24329	0.6
351.25430	0.7
365.23404	0.7
367.24661	0.6
378.03952	0.5
396.12360	0.8
397.13116	1.3
410.13846	1.5
411.14450	5.0
412.15289	2.7
413.16248	0.9
423.10086	0.5
423.15027	0.9
423.41284	0.5
424.10980	1.0
424.15576	1.9
425.16187	9.3
426.16907	5.1
427.17551	0.8
428.18570	0.6
437.11786	0.6
438.13196	2.1
439.13440	6.4
440.19186	2.8
441.19318	21.2
442.19489	1.1
451.18149	0.7
452.14343	2.7
453.15240	7.9
454.16061	2.4
458.15579	0.6
463.14240	1.1
465.15158	0.6
466.12250	1.1
467.17218	18.8
468.17804	8.9
469.18811	10.2
470.19308	1.0
479.17096	0.6
481.14719	10.7
482.15317	2.9
485.18246	0.6
495.15860	2.8
496.17126	14.4
497.17770	2.2
509.18649	1.1
512.20349	0.7
514.22491	0.6
523.19720	1.1
527.22766	1.8
542.21643	1.0
545.38123	1.1
555.22437	18.7
556.22412	0.6
568.19110	0.6
583.21918	100.0
584.22229	5.3
587.24805	1.2
611.21167	1.4
615.24603	7.5
625.44666	2.6
642.46185	0.5
643.23828	27.3
643.45831	1.7
644.23938	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1507
Annotation	myricetin 3-O-gentiobioside
Peak:m/z	Relative Intensity
53.03940	0.5
55.01871	0.4
57.03437	0.6
57.32171	0.2
61.02927	0.8
68.99793	0.9
69.03443	1.6
70.06602	0.5
71.04993	0.2
71.50977	0.2
81.03416	1.0
83.01307	0.2
84.08136	0.5
85.02905	5.6
86.09678	0.3
87.04482	0.3
91.03925	0.3
96.56432	0.2
97.02892	2.1
105.95079	0.2
109.02869	1.3
111.00797	2.2
111.04410	0.3
119.04845	0.3
121.06512	0.5
125.02384	0.2
127.03910	1.5
137.02356	1.4
138.54422	0.2
139.03871	0.5
145.04974	1.3
147.04359	0.4
153.01836	9.7
165.01837	3.5
166.02673	0.6
177.05472	0.4
179.03400	1.3
183.02849	1.1
187.18925	0.3
189.05460	0.7
195.02905	0.6
199.03972	0.3
203.03369	0.5
207.02950	0.3
217.04974	2.8
221.04561	0.3
227.03349	0.3
229.05022	0.4
235.02458	0.4
235.06073	0.4
244.03862	0.2
245.04454	4.4
255.02994	0.6
263.05560	0.6
273.03937	4.3
280.34341	0.2
290.04138	0.8
301.03476	1.2
319.04489	100.0
320.04767	1.8
320.64520	0.2
361.17813	0.2
481.09839	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	643.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	1.2
70.75739	1.6
81.07055	0.9
93.07071	1.3
105.07016	1.0
115.32026	0.7
167.02351	0.6
250.39537	0.8
396.12143	1.4
397.12790	2.8
398.13864	1.1
410.14026	2.0
411.14404	5.8
412.15350	4.0
413.16150	1.7
423.14673	2.3
424.15363	2.5
425.16370	12.3
426.16959	9.0
427.17722	1.6
437.11877	1.0
438.12402	3.6
439.13562	16.0
440.19403	3.5
441.19357	36.1
442.19687	2.2
452.15128	3.2
453.15387	17.5
454.15582	4.8
463.14081	1.4
465.15314	0.9
467.17197	27.6
468.17883	15.4
469.18863	11.2
480.17749	0.9
481.14893	15.0
482.15634	3.8
485.18991	1.2
495.17010	3.1
496.17209	10.9
497.18015	3.3
509.18417	2.1
512.20490	1.0
514.22308	2.1
522.17792	0.8
523.19537	1.0
527.22620	3.1
555.22455	32.3
556.22345	1.7
581.92175	0.8
583.21930	100.0
584.21851	6.5
587.25195	2.4
611.21130	1.2
614.23529	1.1
615.24634	12.5
643.23969	58.5
644.23950	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	642.531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01849	1.7
55.05510	12.2
57.03425	6.7
57.07081	26.2
61.59637	1.2
65.03946	1.8
67.05180	2.3
67.05509	33.8
69.07082	12.5
69.49612	4.5
69.50041	5.3
71.04984	1.8
71.08293	1.8
71.08641	24.5
79.05496	17.6
81.03436	2.6
81.07064	36.4
83.04981	8.2
83.08624	11.1
85.06541	2.4
85.10202	10.5
89.00468	1.3
91.05481	14.6
93.07055	24.7
95.04975	6.0
95.08611	28.4
97.06544	3.7
97.10159	3.1
99.08088	4.0
105.07044	7.9
107.08596	10.4
109.10167	12.5
111.08022	1.7
117.07011	4.3
119.08593	3.5
121.10141	5.6
123.11710	3.2
131.08566	5.7
133.10143	4.5
135.07991	1.5
135.11691	4.7
137.13286	1.7
145.10060	3.0
147.11682	2.8
149.09535	1.7
149.13257	6.4
149.90013	1.4
151.11172	3.0
159.11719	4.6
161.13286	2.3
163.11165	2.4
171.11722	1.4
177.12762	1.7
195.13802	6.0
197.14983	1.6
239.23653	2.3
251.16397	2.3
269.17639	8.2
277.21597	5.5
313.27377	25.9
351.25491	9.3
355.39944	1.7
462.07370	1.9
467.37186	2.2
507.40494	100.0
508.41266	2.3
510.16324	1.5
544.54492	1.4
589.47656	5.3
612.75421	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
55.05507	6.4
57.03435	2.8
57.07077	100.0
59.05003	41.3
62.53111	0.7
66.54904	0.7
67.05511	10.2
69.07072	6.3
69.29633	7.2
71.04977	1.7
71.08633	72.7
73.06554	0.8
74.53697	0.7
79.05498	8.1
81.03410	1.3
81.07062	10.8
82.36861	0.9
83.05007	1.4
83.08626	4.9
85.06564	1.1
85.10186	61.8
87.04473	2.7
89.06036	22.5
91.05480	5.7
92.05809	1.0
93.07054	7.6
95.04968	3.1
95.08596	6.9
97.06519	1.9
97.10178	3.9
99.08092	1.6
99.11734	13.2
101.06023	1.0
101.09657	3.5
103.07610	1.4
105.07016	3.8
107.08598	6.0
109.06512	2.5
109.10136	2.8
111.11736	1.6
113.13280	5.3
117.07029	1.0
117.09131	16.7
119.08568	3.6
121.06506	0.8
121.10126	2.4
123.08081	0.9
123.11671	1.6
131.07042	1.4
131.08589	2.3
133.08607	17.6
133.10094	3.7
135.08038	0.9
135.11667	1.8
137.25243	0.7
143.08559	1.2
145.10141	2.6
147.08029	1.0
147.11682	1.8
149.13208	0.9
151.11162	0.8
155.17961	8.9
157.10176	1.2
159.11606	1.6
161.13251	1.1
177.11201	3.5
189.11177	1.0
191.12686	1.0
213.22133	18.1
213.76416	0.7
221.13713	1.6
239.14944	9.8
242.99687	0.7
271.26318	18.8
273.18500	2.6
283.71158	0.8
291.19485	6.1
297.19046	3.4
335.25723	4.5
347.22070	0.9
352.92603	0.9
355.23062	1.2
365.23151	2.6
583.25427	1.0
625.44019	4.5
625.71545	0.8
642.43744	1.1
643.27240	1.6
643.44891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55313	0.8
53.03934	3.6
55.01862	4.1
55.05512	11.6
57.03435	2.9
57.07072	0.8
61.02919	1.9
63.72477	0.8
65.03937	2.1
67.05506	28.8
68.05817	1.2
69.03428	1.8
69.07079	11.1
70.02677	3.3
71.04991	2.7
71.08613	0.9
71.29066	0.8
77.18139	0.9
78.34800	1.0
79.05500	22.4
80.05811	1.8
81.03426	1.5
81.06586	1.9
81.07059	32.2
82.07397	2.3
83.04982	3.7
83.08626	5.3
85.02911	3.3
85.06538	2.4
91.04915	1.3
91.05483	26.4
91.28101	1.0
92.05807	1.5
93.07046	23.5
94.07376	2.0
95.04958	4.8
95.08611	14.1
96.08949	1.1
97.02933	1.7
97.06544	4.9
97.10172	2.8
98.21449	1.4
99.08100	1.3
105.07039	27.2
106.07380	1.8
107.04955	3.9
107.08586	11.6
108.08937	2.0
109.06545	5.1
109.10154	8.6
110.10477	1.2
111.04454	1.0
115.05468	1.2
116.28686	0.9
117.07020	12.6
119.08588	21.3
120.08904	2.0
121.06503	4.0
121.10159	6.8
122.10433	1.4
123.08089	2.6
123.11694	2.0
125.09644	2.8
128.06252	1.1
129.06989	8.3
131.08571	19.9
132.08913	2.8
133.06436	1.6
133.10124	10.4
134.10468	1.8
135.08038	2.2
135.11690	3.0
136.12029	1.2
137.09608	2.5
141.07001	2.9
142.07758	1.4
143.08577	8.7
145.06477	1.6
145.10130	13.3
146.10405	1.7
147.08057	2.3
147.11687	6.4
148.12035	1.3
149.09605	4.6
149.13184	1.1
150.10052	0.8
155.08559	4.1
157.10167	5.6
159.08073	1.6
159.11658	6.1
161.09619	1.5
161.13269	2.1
163.11157	2.2
165.12817	1.1
167.08687	1.0
169.10146	4.0
171.11778	4.3
173.13290	3.2
174.13689	1.0
175.11253	1.2
177.12801	1.3
179.14265	1.2
181.10069	2.4
183.11703	3.2
185.13271	2.6
187.14900	1.6
195.11775	1.9
197.13223	2.7
199.14862	2.2
203.00858	0.9
209.13197	1.1
211.14830	1.5
215.14250	1.5
218.23749	1.0
227.12738	1.0
233.15398	1.1
247.16917	1.1
257.19156	1.4
275.20081	9.0
276.20340	9.1
285.42493	1.0
293.21246	1.4
294.21231	1.2
325.25266	2.1
335.23557	1.3
340.83160	0.9
343.26367	1.7
349.23819	3.0
350.24042	2.9
353.24738	4.3
371.25891	5.4
389.26764	5.2
445.29532	100.0
446.29861	3.3
462.71439	1.0
463.30630	22.0
556.62335	1.1
606.42017	1.3
624.42816	3.6
642.44513	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	642.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01867	4.1
55.05510	10.2
57.03440	4.0
57.07082	1.2
61.02932	1.9
65.03943	1.6
67.05508	27.5
68.05849	1.5
69.03428	1.6
69.07064	9.8
70.07411	1.1
70.29112	1.0
71.04978	2.1
79.05501	22.9
80.05817	1.7
81.03420	2.2
81.07063	24.5
82.07386	1.1
83.04967	2.6
83.08628	5.5
85.02902	3.3
85.06542	1.4
91.05489	23.6
92.05824	1.2
93.07048	21.9
94.07361	1.3
95.04967	4.2
95.08614	16.2
97.06517	6.9
97.10175	2.2
99.08082	1.7
103.05492	1.0
105.07037	28.5
106.07365	2.1
107.04950	5.2
107.08606	13.2
109.06536	3.4
109.10160	7.9
111.08106	1.0
117.07021	11.5
119.08587	17.5
121.06519	2.8
121.10156	8.9
123.08051	1.9
123.11722	1.7
125.09621	2.3
126.20800	1.0
128.06262	1.5
129.07027	9.5
131.08565	21.1
133.06519	1.5
133.10133	12.1
134.10516	1.3
135.08090	2.3
135.11694	4.1
137.09621	2.0
141.07057	2.1
143.08600	8.2
145.10120	14.2
146.10477	1.1
147.08058	2.1
147.11696	7.6
149.09618	3.8
149.13258	2.8
150.09947	1.4
151.11263	1.7
155.08591	1.7
157.06503	1.1
157.10161	5.9
159.11693	7.0
160.12047	1.5
161.09763	1.4
161.13300	3.0
163.11234	2.5
167.08545	2.3
169.10159	4.6
171.11610	4.8
173.09599	1.2
173.13260	3.3
175.14844	1.1
177.12775	1.2
181.10045	2.2
183.11693	3.6
185.13257	2.8
186.62738	1.0
187.11421	1.0
187.14909	1.8
189.11127	1.2
195.11702	1.5
197.13367	2.4
199.14882	1.7
209.13271	1.5
211.14894	1.4
227.12689	1.5
228.13242	1.6
228.98140	1.2
241.19518	1.6
247.16937	1.6
259.20673	1.1
275.20126	7.7
276.20392	4.3
325.25439	1.3
333.24396	2.6
335.23511	1.3
343.26306	1.4
348.98260	1.0
349.23761	2.6
350.24100	3.7
353.24844	3.7
367.24963	2.1
371.25821	6.1
389.26959	7.5
427.28479	1.2
445.29535	100.0
446.29825	2.5
458.75247	1.2
463.30551	30.8
564.38501	1.2
624.43420	5.8
625.44244	2.2
642.30060	1.2
642.44684	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	642.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01858	1.5
55.05518	3.5
57.03444	16.2
61.02921	2.5
67.05523	3.5
67.60304	0.8
69.03426	1.5
69.07066	2.6
70.06602	1.3
70.69043	0.5
71.01353	0.8
71.04999	1.6
71.50475	0.6
73.02909	1.0
75.04483	0.7
79.05495	8.7
81.07061	12.9
83.04992	7.3
83.08610	1.2
84.08141	1.4
85.02897	2.8
85.06570	1.2
91.05476	6.2
91.24676	0.5
93.06477	1.3
93.07047	19.7
95.01329	1.8
95.04995	3.9
95.08624	6.0
97.02895	1.3
97.06528	4.9
99.00741	0.7
99.04475	4.8
101.06018	1.6
103.03926	1.4
105.06398	1.0
105.07045	14.4
107.04959	1.8
107.08588	15.2
109.06528	6.8
109.10146	1.8
111.04425	0.9
111.07403	0.7
111.08080	3.5
113.02318	1.1
115.08686	0.8
117.05501	100.0
119.04942	1.5
119.08578	8.2
121.06511	10.7
121.10137	3.1
123.04484	1.5
123.08073	2.2
123.11689	1.4
123.51035	0.6
125.05988	1.6
125.89681	0.7
127.07548	3.0
129.05482	1.6
129.07030	1.1
131.03439	1.0
131.08612	2.5
133.06520	1.1
133.10132	6.8
135.04443	1.0
135.08072	8.2
135.11710	0.9
137.06026	3.0
137.09615	1.7
139.03917	1.3
139.07553	1.4
141.01881	3.0
142.07791	1.8
143.03465	0.8
143.07048	1.0
143.08568	2.6
145.10112	3.5
147.08029	1.1
147.10519	1.4
147.11697	29.4
149.13310	1.0
151.07576	0.9
151.11227	1.0
153.01834	2.3
153.09084	1.1
156.09378	1.2
157.08643	1.7
157.10144	5.4
159.06566	2.2
161.05920	0.7
161.13297	2.3
163.11180	2.2
165.12752	9.0
171.11700	4.7
173.09644	1.6
175.11208	14.0
175.12733	0.9
181.10095	0.8
183.90828	0.7
189.12758	7.3
191.14468	0.6
193.12245	19.8
199.11240	4.9
207.13760	3.6
211.13287	8.9
215.05650	0.7
217.12260	12.2
227.12756	1.6
232.20178	0.7
235.13277	10.1
253.14397	9.3
275.07645	1.7
283.15439	1.3
285.11337	1.0
293.08676	18.1
309.16934	8.6
315.14423	1.8
319.22592	0.8
320.22928	0.8
327.12393	2.0
327.18024	8.4
328.15588	1.2
336.34137	0.6
357.15442	0.8
404.15445	0.6
413.18307	3.9
419.17142	1.0
431.19135	27.2
437.31430	0.6
589.21582	3.0
607.22211	1.9
642.29437	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.5
53.03944	9.0
55.01871	14.0
55.05279	2.8
55.05514	38.9
57.03441	10.7
57.07058	6.2
59.04992	1.9
61.70343	1.9
65.03931	7.3
67.05507	92.4
69.03413	3.2
69.06730	2.4
69.07069	35.0
71.04990	33.7
71.08638	4.1
77.03944	1.7
79.05492	92.0
81.03408	3.0
81.07057	100.0
83.04983	11.1
83.08611	15.2
85.02847	1.8
85.06534	5.3
87.04436	2.5
89.05987	2.4
91.05482	84.8
93.07043	80.5
95.04968	20.3
95.08608	58.6
97.05929	1.9
97.06529	26.2
97.10158	6.2
99.08089	3.4
103.05447	2.4
105.04482	4.8
105.07033	74.5
107.04956	13.6
107.08597	52.4
109.06509	15.8
109.10160	25.7
111.04438	2.1
111.08068	6.4
115.05457	4.5
116.06210	2.0
116.66653	1.8
117.07019	29.1
119.08580	55.9
121.06524	9.6
121.09323	3.0
121.10141	35.5
123.08076	10.0
123.11697	6.3
125.09607	3.1
128.06213	2.8
129.07024	11.5
131.08560	38.0
133.06487	2.4
133.10127	37.4
135.08101	9.7
135.11697	19.7
137.09607	7.3
139.11150	3.0
141.06981	5.3
142.07744	4.5
143.08565	11.8
145.10126	43.0
147.08020	3.1
147.11693	22.1
149.09602	15.3
149.13283	9.3
151.11183	8.9
155.08574	6.5
157.10139	11.6
159.08054	3.2
159.11702	26.1
161.09631	5.1
161.13284	10.2
163.11185	14.0
163.14868	2.3
165.12796	4.8
167.08495	2.5
169.10117	8.8
171.11664	11.7
173.09532	2.4
173.13214	11.0
175.11212	3.6
175.14775	5.4
177.12756	5.4
179.14268	5.9
181.10136	2.1
181.12225	2.0
183.11659	6.6
185.13297	5.2
187.14851	5.5
189.12740	3.4
189.16443	2.1
191.14404	1.9
195.11685	1.8
197.13251	4.7
199.14861	3.1
201.12779	3.5
201.16359	2.4
205.12141	1.8
207.11859	2.4
211.14804	3.1
211.21242	1.9
213.16461	3.9
215.14281	3.4
215.17873	3.0
219.17441	2.2
227.12801	2.3
229.05721	2.3
229.19511	4.7
231.17499	2.3
239.17935	8.2
241.19786	2.1
247.20535	7.4
257.18991	22.7
259.20615	4.0
261.22095	4.2
273.18576	3.4
275.20065	91.0
277.21616	3.7
284.42975	1.7
289.18063	3.1
289.21600	6.5
291.19525	7.2
293.21185	4.8
307.22672	8.5
331.22595	7.4
333.24341	2.0
335.22018	3.0
335.25766	29.8
349.23651	16.8
349.27509	5.0
363.21387	2.5
363.25333	7.9
365.23239	2.4
516.72345	2.0
527.36688	1.9
531.38049	2.1
549.38934	3.1
609.45050	16.8
623.43274	17.2
624.44257	2.3
641.47937	41.4
642.47632	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.5
53.03944	9.0
55.01871	14.0
55.05279	2.8
55.05514	38.9
57.03441	10.7
57.07058	6.2
59.04992	1.9
61.70343	1.9
65.03931	7.3
67.05507	92.4
69.03413	3.2
69.06730	2.4
69.07069	35.0
71.04990	33.7
71.08638	4.1
77.03944	1.7
79.05492	92.0
81.03408	3.0
81.07057	100.0
83.04983	11.1
83.08611	15.2
85.02847	1.8
85.06534	5.3
87.04436	2.5
89.05987	2.4
91.05482	84.8
93.07043	80.5
95.04968	20.3
95.08608	58.6
97.05929	1.9
97.06529	26.2
97.10158	6.2
99.08089	3.4
103.05447	2.4
105.04482	4.8
105.07033	74.5
107.04956	13.6
107.08597	52.4
109.06509	15.8
109.10160	25.7
111.04438	2.1
111.08068	6.4
115.05457	4.5
116.06210	2.0
116.66653	1.8
117.07019	29.1
119.08580	55.9
121.06524	9.6
121.09323	3.0
121.10141	35.5
123.08076	10.0
123.11697	6.3
125.09607	3.1
128.06213	2.8
129.07024	11.5
131.08560	38.0
133.06487	2.4
133.10127	37.4
135.08101	9.7
135.11697	19.7
137.09607	7.3
139.11150	3.0
141.06981	5.3
142.07744	4.5
143.08565	11.8
145.10126	43.0
147.08020	3.1
147.11693	22.1
149.09602	15.3
149.13283	9.3
151.11183	8.9
155.08574	6.5
157.10139	11.6
159.08054	3.2
159.11702	26.1
161.09631	5.1
161.13284	10.2
163.11185	14.0
163.14868	2.3
165.12796	4.8
167.08495	2.5
169.10117	8.8
171.11664	11.7
173.09532	2.4
173.13214	11.0
175.11212	3.6
175.14775	5.4
177.12756	5.4
179.14268	5.9
181.10136	2.1
181.12225	2.0
183.11659	6.6
185.13297	5.2
187.14851	5.5
189.12740	3.4
189.16443	2.1
191.14404	1.9
195.11685	1.8
197.13251	4.7
199.14861	3.1
201.12779	3.5
201.16359	2.4
205.12141	1.8
207.11859	2.4
211.14804	3.1
211.21242	1.9
213.16461	3.9
215.14281	3.4
215.17873	3.0
219.17441	2.2
227.12801	2.3
229.05721	2.3
229.19511	4.7
231.17499	2.3
239.17935	8.2
241.19786	2.1
247.20535	7.4
257.18991	22.7
259.20615	4.0
261.22095	4.2
273.18576	3.4
275.20065	91.0
277.21616	3.7
284.42975	1.7
289.18063	3.1
289.21600	6.5
291.19525	7.2
293.21185	4.8
307.22672	8.5
331.22595	7.4
333.24341	2.0
335.22018	3.0
335.25766	29.8
349.23651	16.8
349.27509	5.0
363.21387	2.5
363.25333	7.9
365.23239	2.4
516.72345	2.0
527.36688	1.9
531.38049	2.1
549.38934	3.1
609.45050	16.8
623.43274	17.2
624.44257	2.3
641.47937	41.4
642.47632	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.9
55.01866	12.5
55.05512	70.4
57.03440	15.8
57.07079	6.2
59.05000	3.1
65.03930	7.5
67.05508	100.0
69.03431	13.1
69.07070	43.1
69.94415	6.3
69.94809	4.9
71.04984	10.4
79.05497	78.6
81.03407	6.0
81.06596	4.8
81.07059	96.5
83.04971	9.8
83.08142	4.3
83.08607	36.0
85.06516	5.9
91.05491	81.4
93.06485	5.5
93.07050	68.9
95.04984	19.1
95.08611	54.9
97.02879	4.3
97.06552	15.4
97.10171	33.7
105.07038	74.1
107.04980	16.5
107.08598	48.0
109.06524	13.2
109.10167	25.3
111.08103	7.3
115.05452	7.8
117.07024	38.7
119.07803	5.0
119.08586	60.5
121.06489	5.3
121.10153	28.3
123.08045	9.0
123.11712	9.4
125.09637	26.8
128.06207	4.0
129.07007	20.4
130.07741	3.3
131.08574	46.4
133.06509	4.3
133.10138	37.5
135.08066	9.0
135.11702	19.1
137.09599	6.5
139.07603	2.8
141.06987	5.5
142.07770	4.5
143.08574	24.5
145.10138	36.0
147.08034	4.2
147.11717	34.1
149.09610	10.6
149.13243	8.1
151.11255	3.5
153.09081	3.5
153.12735	2.9
155.08534	12.2
157.10146	23.2
159.11696	28.7
161.09651	6.5
161.13281	25.1
163.11192	7.8
163.14771	5.1
165.07076	3.0
165.12653	4.8
166.07776	4.0
167.08560	9.2
169.10146	15.9
171.11679	19.2
173.13254	18.5
175.11186	4.8
175.14824	10.2
177.12735	3.6
179.08479	4.5
181.10197	5.8
183.11717	13.7
185.13214	13.2
187.11226	3.6
187.14879	7.1
189.11241	14.7
189.12721	3.5
193.10245	3.9
195.11691	7.9
197.13248	10.0
199.14842	8.5
207.11682	3.5
209.13257	5.7
211.14828	9.8
213.16446	3.9
221.13239	4.5
223.13208	16.3
225.16322	4.4
227.12769	22.3
227.17953	3.6
231.20918	4.6
237.16376	3.4
239.17934	7.5
241.19545	19.2
251.18037	3.9
253.19658	3.7
257.18994	8.3
259.20578	30.9
273.18475	12.1
275.20084	39.3
277.21652	4.2
285.22006	5.1
289.17850	3.3
291.19547	89.7
291.24500	3.6
293.21320	4.7
297.22232	3.3
309.21960	3.2
315.23129	3.4
331.22586	3.8
333.24289	29.2
335.25919	4.6
349.23828	11.0
357.24341	3.3
363.26785	4.5
365.23273	25.1
375.90372	2.9
379.29901	4.7
393.28241	3.3
397.31097	3.7
445.14096	3.3
453.96249	2.9
474.24258	3.1
494.26447	3.1
513.36243	5.0
529.35706	5.9
531.37823	3.1
543.37122	5.6
549.38953	7.0
605.41595	17.0
609.44836	3.2
623.43115	81.1
624.43121	3.5
641.44128	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	641.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01610	1.4
51.02375	2.1
51.10482	1.4
53.03943	11.2
55.01874	20.8
55.05516	40.1
57.03446	16.9
57.07063	4.7
58.29698	1.4
65.03941	7.5
65.85957	1.5
67.05509	100.0
68.99787	2.4
69.03427	6.6
69.07069	33.9
71.04980	6.1
71.08617	3.1
78.04747	1.7
79.05498	92.1
80.06275	2.0
81.03425	11.9
81.07063	93.9
83.01339	2.5
83.04977	15.9
83.08162	1.5
83.08627	21.1
85.06538	9.2
86.09668	2.0
91.05489	87.4
93.07048	89.2
94.04191	1.5
95.04977	39.2
95.08612	58.5
97.02882	4.0
97.06533	16.5
97.10159	7.3
98.20784	3.3
99.08112	2.5
100.11247	4.9
103.05461	4.7
105.04527	3.8
105.07040	74.0
107.04964	50.4
107.08600	47.7
108.05742	2.8
108.09412	1.7
109.06532	26.6
109.10162	29.0
111.04448	5.9
111.08045	7.3
112.05212	3.3
113.06015	19.6
115.05463	8.4
116.06234	1.7
117.06232	2.3
117.07030	37.7
119.04916	3.3
119.08591	43.4
120.57425	1.5
121.06520	13.1
121.10160	30.4
122.07293	12.5
123.04419	4.9
123.08067	7.3
123.11704	6.0
125.06001	3.7
125.09650	5.1
128.06238	6.3
129.07013	19.9
130.07800	3.1
131.04889	2.9
131.08585	38.8
133.06511	17.5
133.07483	2.2
133.10146	31.3
135.04446	2.4
135.08049	10.1
135.11696	21.1
136.08806	2.2
137.05975	3.1
137.09610	7.4
139.07503	2.7
139.11137	2.0
141.06966	7.3
142.07776	3.3
143.08560	17.1
144.09271	1.6
145.06503	13.4
145.10133	33.1
147.08049	18.7
147.11690	20.3
149.05994	1.8
149.09637	10.6
149.13257	6.5
151.07555	2.6
151.11163	5.8
154.07791	2.0
155.08568	10.0
157.06490	1.9
157.10133	16.3
159.08098	7.4
159.11713	19.7
161.09662	12.9
161.13239	13.4
162.10388	2.3
163.07529	2.6
163.11169	13.6
165.06955	1.8
165.09135	3.7
165.12811	3.0
167.08575	3.5
169.10126	11.7
171.11708	12.0
173.09636	4.3
173.13286	11.1
175.11169	7.2
175.14824	4.1
177.12772	4.7
179.14297	3.6
181.10158	5.1
183.11681	7.8
185.09537	2.8
185.13289	9.1
187.11131	4.7
187.14799	5.9
189.12770	3.9
193.10294	1.6
195.11783	2.9
197.13252	7.9
199.14816	4.2
201.12744	2.8
201.16402	2.5
203.14384	3.0
205.12076	1.5
205.15880	2.3
207.11711	2.1
209.13260	4.2
211.14836	3.8
213.12740	3.0
213.16400	2.0
215.14320	4.3
215.17914	2.1
217.15939	2.6
225.16449	2.5
227.12697	1.9
229.15947	2.1
229.19446	3.0
233.15349	14.6
239.18063	2.9
241.19606	5.9
243.13715	1.9
245.19057	2.8
253.14380	3.7
255.17143	1.6
257.19012	5.9
259.20630	9.9
261.14682	3.1
261.18674	2.1
261.22137	2.7
271.96802	1.8
273.18524	13.5
275.20120	20.0
279.15936	2.1
289.17963	5.5
290.18826	7.0
291.19565	13.4
293.21240	1.9
307.18954	3.6
309.21204	1.6
315.23184	2.5
325.20215	3.1
333.24246	5.5
335.25903	2.7
347.21939	2.6
349.23718	10.4
363.22067	2.5
365.23209	4.9
395.01642	1.7
395.29294	2.2
409.30713	2.6
423.40701	2.0
451.56781	2.3
469.32446	2.0
473.33154	1.9
483.34726	2.2
487.34058	5.4
501.35760	4.6
503.38339	2.2
511.34189	1.7
513.36688	4.9
529.35120	2.8
531.38409	2.4
543.36804	2.7
549.39185	2.7
567.40472	13.1
595.39972	27.8
605.42261	7.5
613.44519	3.5
623.43085	29.1
641.44153	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.9
55.01864	13.1
55.05272	4.0
55.05516	50.7
57.03444	32.9
57.07061	9.4
59.04990	6.1
65.03942	4.7
65.58497	3.1
67.05509	100.0
67.32473	3.0
69.03419	5.4
69.07071	42.8
71.04984	6.0
71.08621	11.0
71.51589	5.0
79.05496	86.6
81.03413	7.0
81.07066	96.7
83.04986	32.2
83.08629	25.8
85.06551	5.7
91.05486	78.2
93.07051	94.3
95.04957	20.3
95.08067	5.3
95.08617	71.7
97.06546	22.3
97.10134	6.6
98.04232	3.0
99.08067	6.3
101.50417	3.0
105.07039	65.7
107.04964	27.7
107.08613	42.4
109.06518	20.6
109.10167	30.1
111.04462	7.4
111.08082	8.5
113.05981	9.0
115.05444	5.0
117.07034	22.5
118.07737	3.3
119.08595	47.0
121.06509	10.4
121.10159	30.6
123.03045	3.0
123.04375	3.7
123.08075	9.5
123.11684	7.3
125.09651	4.6
128.06239	7.7
129.06999	18.2
131.08571	45.3
133.06505	6.7
133.10153	39.2
135.08067	13.8
135.11685	18.8
137.09607	5.6
141.06969	6.1
143.08548	13.1
145.06462	7.9
145.10136	30.2
147.08061	11.2
147.11673	23.5
149.09625	7.3
149.13239	9.4
151.07611	3.2
151.11189	7.1
151.33394	2.9
155.08624	15.0
157.10156	16.1
159.08052	10.1
159.11687	27.3
161.09624	14.2
161.13248	16.3
163.07549	6.2
163.11176	10.1
167.08607	5.6
169.10117	12.2
171.11687	11.0
173.09538	5.7
173.13260	12.2
174.19580	3.8
175.11209	3.9
175.14853	6.3
177.12767	6.8
179.14342	13.3
181.10164	4.7
183.11644	7.8
185.13297	7.8
187.11223	3.4
189.12738	6.3
195.11812	4.8
195.13710	5.0
197.13353	5.5
199.14812	6.6
205.15881	7.6
209.13263	5.6
233.15370	14.2
235.20462	4.3
241.19547	10.7
243.17551	3.9
257.18884	5.0
259.20560	14.0
261.18539	13.1
271.16876	9.7
273.18466	10.4
275.20105	12.9
277.21597	5.6
289.18033	36.1
291.19434	17.2
333.24271	9.9
335.25854	51.8
349.23633	3.6
363.21561	15.6
365.23376	4.2
443.28656	3.2
487.34174	7.2
501.35834	6.6
529.38666	10.6
531.37451	5.9
549.39142	10.0
566.31976	4.8
567.40204	6.5
605.41608	10.3
614.17792	3.6
623.43066	94.3
641.44025	37.3
651.93732	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	640.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
53.54419	0.6
55.01874	3.4
55.05513	26.0
56.24459	0.6
57.03443	4.9
57.07081	13.6
58.70039	0.6
59.04991	1.3
65.03955	1.0
67.05510	21.9
69.03416	2.7
69.07067	8.2
69.16773	6.3
71.04980	1.0
71.08633	9.8
77.01445	0.6
78.53051	0.5
79.05496	22.8
81.07061	17.0
83.04996	3.8
83.08624	15.7
83.52619	0.5
85.06533	0.7
85.10191	5.9
89.06051	0.7
89.47131	0.6
91.05481	8.9
93.07048	9.9
95.04958	1.0
95.08608	10.9
97.06523	1.4
97.10175	31.0
105.07034	10.7
107.04937	1.9
107.07878	1.4
107.08602	27.0
107.92355	0.6
109.06502	1.1
109.10161	8.2
111.08102	1.2
111.11723	0.7
116.47697	0.5
117.07043	3.2
119.08583	4.4
120.78555	0.6
121.10161	2.3
123.11717	1.5
125.09637	30.5
129.07024	0.9
131.08574	4.1
133.10115	4.6
135.08058	3.7
135.11723	1.3
143.08556	1.1
143.10706	1.5
145.10112	7.6
147.11700	3.7
149.09596	2.9
149.13220	0.7
153.09125	2.4
157.10124	1.4
159.11705	2.9
161.13251	1.0
163.11185	0.6
169.10153	0.8
171.10175	2.9
171.11562	1.2
173.13293	0.9
181.12112	0.9
183.11772	1.1
185.13298	0.9
189.11227	15.9
197.13287	0.9
227.12791	100.0
228.13130	0.9
228.35214	0.6
229.19464	1.0
239.18018	2.0
239.23643	1.2
250.92274	0.7
257.18994	7.0
258.11740	0.6
275.20056	20.0
275.60626	0.6
308.40286	0.7
313.27371	29.1
331.22699	2.3
349.23727	19.3
483.36890	9.0
491.41602	0.8
505.38559	0.9
587.46753	17.6
588.46820	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
55.01865	3.8
55.05310	2.0
55.05518	22.0
57.03439	20.0
57.07078	52.7
62.29359	1.9
64.78764	1.8
65.03941	3.0
67.05506	68.4
68.59976	2.0
69.03423	3.6
69.07072	30.7
71.04986	5.9
71.08636	35.7
71.25324	4.2
79.05496	41.6
81.03415	6.3
81.06590	4.3
81.07059	76.1
82.95375	1.9
83.04979	7.3
83.08640	18.3
85.06546	4.3
85.10199	16.0
89.05994	3.0
91.05486	35.9
93.07047	45.6
95.04952	8.3
95.08607	47.9
97.06535	11.5
97.10166	8.9
99.08042	1.9
105.07030	27.2
107.04946	5.3
107.08578	22.1
109.06548	2.6
109.10172	20.2
111.08054	2.2
113.09676	1.8
116.06218	2.1
117.07042	11.9
119.08589	22.2
121.06497	4.4
121.10164	12.7
123.08070	4.5
123.11710	5.7
129.07025	4.2
131.08557	15.0
133.10117	18.8
135.08075	3.6
135.11679	13.8
137.05565	2.1
137.09633	3.9
143.08536	2.6
145.10133	8.3
147.11678	9.8
149.09618	6.2
149.13300	11.0
157.10112	3.4
159.11699	11.3
161.13257	2.4
163.11177	6.4
171.11888	2.4
173.13194	5.5
177.12761	4.6
181.12270	2.2
195.13803	7.0
239.18002	4.7
239.23708	5.5
253.14372	2.4
255.15921	21.0
257.19028	7.0
257.24826	3.5
267.16043	2.9
269.17529	22.4
271.84067	2.3
275.20102	29.2
280.09140	2.2
293.21057	2.4
313.27380	84.9
314.27670	3.0
349.23730	19.4
367.24576	5.6
412.22824	2.1
493.38864	21.1
507.40479	100.0
514.69196	2.0
547.43604	3.3
587.46698	12.0
605.47565	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	640.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	27.6
57.03439	22.3
57.07077	61.9
61.76445	7.7
67.05507	89.3
69.07069	25.2
71.07391	15.6
71.08626	44.6
74.61085	7.5
79.05492	54.4
81.03434	10.3
81.07063	85.1
83.08613	25.6
85.10176	23.2
89.06030	11.1
91.05476	46.1
93.07036	47.7
95.08604	52.6
105.07027	36.3
107.04974	10.5
107.08600	24.0
109.06490	16.6
109.10168	20.5
117.06969	9.3
119.08620	28.1
121.06528	15.0
121.10124	17.5
123.11684	11.3
128.99423	9.7
131.08548	15.4
133.10130	25.1
135.11653	15.9
136.17798	8.5
138.61662	8.4
145.10236	9.1
147.11710	13.3
149.13268	16.1
155.07227	8.2
156.94180	9.2
159.11682	18.2
160.57570	10.2
212.52466	8.6
255.15927	21.8
269.17490	30.4
275.20093	31.8
281.23007	9.1
313.27325	87.2
349.23572	14.5
493.38641	17.2
507.40552	100.0
533.26935	11.0
538.86487	8.6
587.46655	11.9
650.33105	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	640.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.2
55.05519	26.6
57.03442	28.3
57.07082	60.6
67.05505	54.1
69.07078	32.5
70.29202	4.7
71.05005	5.3
71.08629	28.7
71.22693	6.2
79.05502	52.4
81.07067	56.3
83.08623	24.7
84.94270	4.7
85.10184	14.7
89.06011	5.1
91.05494	53.7
93.07047	40.7
95.08624	52.6
95.45506	4.5
97.10168	20.3
105.07039	50.1
107.08607	19.9
109.06571	5.3
109.10178	22.4
111.57575	4.7
117.07033	27.0
119.08591	36.0
121.06515	5.2
121.10159	13.8
125.09615	9.3
128.07135	4.7
129.07002	17.2
131.08553	26.3
133.10168	25.6
135.11667	9.5
143.08582	10.9
145.10130	24.1
147.11684	19.9
149.09642	10.0
155.08563	5.6
156.11652	5.2
157.10158	14.4
159.11633	27.7
159.63118	4.5
161.13251	6.1
163.11168	5.5
173.13214	7.0
179.14334	5.1
183.11729	6.8
185.13258	23.8
201.21516	4.7
203.14275	13.0
205.15746	5.2
219.17442	10.7
227.12871	26.1
239.17947	12.4
257.19009	35.9
275.20065	50.8
301.48959	4.6
313.21838	5.8
313.27383	100.0
331.22675	13.7
349.23749	48.7
524.43024	5.2
587.46625	44.2
591.18756	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	640.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	20.1
55.49139	5.3
57.07069	19.6
59.04997	6.7
67.05516	31.9
69.07058	26.5
71.08631	14.5
71.51513	7.2
79.05493	34.1
81.07066	62.6
83.04960	6.1
83.08619	9.6
85.10172	8.3
89.38335	5.8
91.05492	62.6
93.07052	66.2
95.04953	23.5
95.08605	32.7
97.10182	5.8
105.07037	100.0
107.08611	47.9
109.10172	27.4
115.14152	5.5
117.07010	22.3
119.08582	93.2
121.06520	9.4
121.10133	55.8
123.08093	12.0
123.11762	10.0
128.06239	7.7
129.07002	18.6
129.33871	5.5
130.07782	11.5
131.08568	41.4
133.10126	78.4
135.08055	10.0
135.11703	22.8
137.09612	6.8
142.07742	15.6
143.08577	39.0
144.09413	8.0
145.10138	88.6
147.11696	30.0
149.09610	8.7
149.13239	7.4
154.07771	6.8
155.08560	15.1
156.09340	16.7
157.10139	46.9
158.10869	7.3
159.08022	8.1
159.11716	28.8
161.00127	6.0
161.09581	9.9
165.06944	9.7
167.08513	7.3
168.09305	9.8
169.10133	21.3
170.10898	9.2
171.11710	28.2
173.13287	26.1
175.14799	18.9
179.08528	10.4
181.10080	12.9
182.10919	7.6
183.11670	21.5
185.13289	15.7
187.14865	12.2
191.14264	7.5
193.10078	9.5
194.10916	8.6
195.11696	19.3
197.13258	22.4
199.14775	10.0
201.12775	6.6
201.16383	8.5
207.11781	11.4
208.12466	7.6
209.13322	16.7
211.14713	13.7
217.15915	6.4
223.14864	8.8
225.16425	11.5
245.13364	6.1
256.07471	6.7
311.29407	6.7
315.84863	6.1
338.25937	10.4
406.21234	8.4
480.24728	19.6
529.38641	9.2
552.26495	7.2
568.42358	22.0
640.32202	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.05515	1.3
57.01928	0.7
57.03452	0.8
57.07082	1.3
67.05503	6.1
69.03428	1.7
69.07073	4.1
69.45602	5.1
69.84266	0.7
71.05002	1.0
79.01871	1.5
79.05501	20.7
79.13984	0.6
81.03419	3.6
81.07062	14.4
83.04980	1.9
85.02905	2.0
86.09712	100.0
90.76351	0.6
91.05492	7.8
93.07053	32.9
95.04984	2.0
95.08615	7.6
97.02891	3.0
97.06535	1.8
97.11006	0.6
105.07056	3.9
107.01325	0.9
107.04989	1.2
107.08604	16.9
109.02885	1.8
109.06505	1.0
109.10203	1.3
117.07030	4.1
119.08584	2.7
121.06505	2.1
121.10165	4.4
123.09883	0.7
125.02360	1.7
127.03956	3.1
128.10754	1.3
131.08600	2.8
131.39493	0.7
132.10216	66.8
133.10130	6.6
135.08047	3.3
135.11705	17.5
143.03403	3.6
143.08643	0.9
145.04967	1.0
145.10158	1.3
147.11703	2.0
149.13269	19.1
151.11240	1.1
151.14804	1.3
153.01840	55.3
153.02791	2.6
153.12711	1.3
154.02299	0.7
156.10239	1.0
157.10080	0.7
159.11778	3.3
163.07513	0.7
165.09117	1.1
171.02914	4.9
171.11711	0.7
173.09785	0.7
175.11185	1.0
177.12770	14.3
189.12805	0.6
192.13928	1.7
195.13687	0.7
225.12854	1.1
238.14458	1.6
254.17538	7.5
262.21661	13.3
280.22787	2.2
285.14865	0.7
290.21204	1.5
295.42725	0.7
297.06125	2.7
308.22220	76.8
309.22653	2.0
310.23749	1.0
315.07202	2.6
326.23257	17.4
326.27014	1.1
348.21548	0.8
383.12149	0.9
388.24902	0.7
411.27670	1.5
451.15146	0.8
604.27515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.7
53.03950	1.0
55.01869	0.5
55.05508	1.3
57.03429	0.5
57.07074	1.4
66.56406	0.5
67.05506	5.9
67.69112	0.5
69.03448	1.7
69.07070	10.7
69.13321	0.4
69.45320	1.1
69.45743	2.0
71.04984	0.6
72.14825	0.4
74.02443	0.7
79.01855	1.8
79.05494	15.2
81.03422	3.1
81.07059	11.5
83.05007	0.7
83.08629	0.7
85.02916	1.4
86.09708	100.0
87.10059	0.5
87.93546	0.4
91.05487	6.0
93.07050	22.5
95.04976	1.7
95.08607	5.7
97.02906	1.9
97.06521	1.1
98.20766	1.0
105.07045	4.0
107.01310	0.7
107.04940	0.9
107.08596	11.9
109.02903	1.8
109.06514	1.6
109.10181	0.6
117.07020	2.5
119.08572	2.6
121.06516	1.3
121.10155	2.8
123.08081	0.9
123.11693	0.5
125.02372	0.8
126.79970	0.4
127.03931	2.4
127.52512	0.4
128.10693	1.0
128.59602	0.4
129.07021	0.9
130.08662	0.7
131.08588	1.8
132.10208	52.1
133.10123	5.2
135.08060	2.1
135.11693	15.3
143.03416	1.9
145.10133	0.9
147.11707	1.1
149.13268	14.4
149.98383	0.5
151.11169	0.7
151.14841	1.6
153.01836	39.8
153.02896	2.5
153.12825	0.8
156.10248	0.7
159.11697	2.8
165.09123	0.9
169.10243	0.5
171.02861	3.3
171.11644	0.7
173.09833	0.4
175.11174	0.7
177.12743	10.1
189.12721	0.5
192.13864	1.4
195.13847	0.6
206.15570	0.6
207.11650	0.5
225.12669	1.0
238.14430	0.9
242.83549	0.5
243.13770	1.0
254.17502	5.1
262.21664	15.1
267.14200	0.5
280.22742	2.2
285.14758	0.6
290.21222	1.3
297.05963	2.3
308.22205	63.8
309.22589	0.8
315.07068	2.5
320.22113	0.9
326.23273	15.0
358.05518	0.5
416.24612	0.6
442.28210	1.0
452.26215	0.7
470.27856	0.7
604.26660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93632	1.8
53.03935	7.1
55.01860	7.5
55.05513	23.0
57.03433	9.1
57.07071	3.9
61.75740	1.9
65.03935	3.8
67.05507	76.4
69.03434	16.9
69.07072	20.0
70.10316	6.5
71.03809	1.9
71.04999	31.5
76.40426	1.8
79.05501	50.6
81.03423	45.1
81.07059	100.0
81.40178	1.7
83.04984	16.4
83.08617	13.0
85.02880	6.4
85.06528	8.6
91.05490	47.3
93.06489	3.5
93.07045	48.6
94.92583	1.9
95.04977	10.1
95.08609	20.5
97.02898	10.2
97.06530	14.1
97.10185	3.4
97.78219	1.7
99.04430	2.7
99.08094	3.0
103.05447	2.1
105.07035	25.2
107.04969	9.8
107.08602	26.5
109.02893	13.7
109.06548	9.5
109.10168	12.7
111.04439	8.3
111.08068	5.8
113.06013	2.8
117.07019	14.8
119.08595	12.8
121.06482	6.1
121.10164	14.6
123.04458	2.1
123.08079	4.0
123.11715	10.9
125.09638	3.9
127.03889	7.8
129.06981	5.8
131.04910	2.0
131.08586	17.1
133.06500	4.0
133.10129	21.2
135.08046	4.5
135.11710	10.9
143.08553	3.5
144.96747	2.0
145.06474	2.1
145.10117	6.7
147.08034	2.2
147.11687	7.8
149.09608	4.0
149.13249	17.7
151.11201	6.3
155.08554	3.6
157.10085	6.1
159.07968	1.9
159.11703	14.1
161.06000	2.5
161.13216	3.5
163.11151	5.6
165.12852	4.2
167.14296	2.1
169.10114	2.8
171.06531	3.8
171.11690	2.9
173.04417	9.3
175.11171	5.4
177.12743	6.2
183.13834	4.3
187.13283	5.8
193.12280	4.2
195.13806	11.3
199.14748	1.9
201.14778	3.4
213.14766	2.3
220.44977	2.1
227.12784	4.5
227.16266	2.3
251.46252	1.7
253.17810	2.6
267.15958	3.5
269.17465	7.0
273.18530	6.1
275.20050	6.3
283.19058	4.2
291.19528	4.4
303.15854	2.2
305.17511	2.6
321.16779	3.1
339.18039	4.5
347.22098	3.1
349.23923	2.1
374.94528	2.3
377.19879	3.2
395.20544	6.2
421.29855	2.7
435.31619	2.3
437.28964	23.7
451.30377	7.1
463.30527	5.4
495.33286	8.7
545.30109	2.3
563.31909	2.1
589.32501	2.5
607.34534	12.8
621.41406	3.8
639.36023	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	17.3
54.17250	2.9
55.01884	15.7
55.05512	37.4
57.03437	14.6
57.07056	4.6
65.03944	3.9
67.05508	100.0
69.03434	41.2
69.07070	34.2
69.62141	19.3
71.01337	5.0
71.05006	13.2
79.05497	72.5
81.03423	88.0
81.06586	5.2
81.07061	99.3
83.04984	27.7
83.08628	28.0
85.02901	19.6
85.06542	6.5
88.45817	2.9
91.05483	61.2
91.29141	2.5
93.07050	67.4
95.04977	22.9
95.08605	43.4
97.02901	34.9
97.06547	20.4
97.10162	17.3
97.10702	2.4
99.04451	14.1
99.08044	3.3
101.51586	2.5
103.05502	3.8
105.04433	2.8
105.07037	30.6
107.04958	19.8
107.08596	43.8
109.02881	28.4
109.06503	18.5
109.10166	33.1
110.76404	2.9
111.04425	13.6
111.08065	13.2
113.06011	6.5
115.05457	5.2
117.07060	21.2
117.27359	2.5
119.08591	29.2
121.06501	8.7
121.10160	27.4
123.04455	3.5
123.08085	7.3
125.09647	16.2
127.03907	23.7
128.06239	5.2
129.07005	10.2
131.04964	4.2
131.08574	26.7
133.06461	6.0
133.10144	22.5
135.08026	10.4
135.11725	16.7
137.09602	6.5
139.03958	3.4
139.11189	3.1
141.06865	3.1
143.08537	9.9
143.10640	3.4
145.06450	5.8
145.10143	24.8
147.08008	5.7
147.11644	9.8
149.09622	6.6
149.13307	18.8
153.12762	12.2
157.10110	9.1
159.08090	3.6
159.11716	16.5
161.09583	6.2
163.11172	24.1
171.11723	3.5
173.04474	31.4
173.09656	6.7
173.11743	6.6
175.11224	5.3
177.12759	7.7
181.12169	5.4
185.13301	4.6
187.11153	3.0
189.11198	4.9
191.10666	11.3
195.13771	14.6
199.13185	3.8
209.11711	29.1
225.11073	3.3
227.12743	23.9
229.14323	4.8
261.14810	3.1
265.14337	3.6
269.17493	16.3
273.18478	6.3
275.20120	8.1
283.15402	9.0
291.19498	10.5
309.20844	3.5
349.23917	3.1
353.15884	9.0
423.27081	8.1
427.19501	5.8
449.28949	3.4
459.27322	4.7
477.28659	16.3
495.29382	7.8
603.31555	4.6
621.32452	11.6
621.41547	5.5
639.33472	51.9
639.42657	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	639.2827
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
56.35298	2.7
73.07952	3.0
74.04446	2.5
98.21531	6.4
207.20831	2.8
209.10725	3.9
223.12454	4.1
225.10397	4.0
239.08229	3.6
239.15654	2.7
249.13777	3.0
253.13423	5.3
260.09424	3.5
267.14963	3.1
269.84436	2.7
306.41724	3.1
325.11862	3.2
421.16565	3.2
421.24347	4.8
423.21869	5.5
430.17429	3.4
433.16541	3.4
433.23932	3.2
436.18515	3.6
437.23877	3.4
445.19781	4.3
449.19934	4.8
459.21753	25.7
460.22095	3.7
461.23715	5.7
465.23093	6.7
492.20612	4.2
493.22253	5.0
502.19077	3.0
519.22668	3.9
547.27289	9.8
551.26868	4.7
579.25732	11.0
580.26630	11.6
589.24799	3.7
596.26624	6.3
606.28491	42.5
607.25586	20.8
608.25354	4.1
611.28564	19.3
621.27051	4.0
622.27667	5.1
639.28058	100.0
640.28296	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.8
57.07051	2.7
58.13285	1.7
58.92632	1.6
59.04987	3.3
60.62056	1.7
67.05495	7.7
69.07059	1.9
71.51922	2.8
79.05499	2.5
81.07053	4.4
91.05453	5.2
92.40935	1.8
93.07056	4.6
95.04985	2.0
95.08589	4.4
105.07039	3.8
105.19780	1.9
107.04945	2.2
107.08584	2.6
109.10135	2.0
119.08565	2.1
131.08528	1.9
138.73225	1.9
178.92073	1.8
221.67709	1.7
235.39723	2.1
291.19412	2.1
313.27399	2.2
351.17319	2.1
376.17007	3.7
377.17532	7.0
387.09296	1.7
389.17920	6.3
390.18411	7.2
391.19138	23.5
392.20007	6.2
403.19647	3.6
404.20020	10.9
405.20834	29.5
406.21439	12.4
407.22064	2.5
417.20764	3.2
419.22467	14.3
420.23227	21.2
421.24100	13.8
431.22427	3.0
433.19400	3.9
433.24121	5.9
434.24704	7.4
438.20230	2.9
445.20151	6.5
446.20810	2.8
447.21695	7.2
448.22653	14.8
449.23553	22.9
452.22083	20.4
459.21698	12.0
460.22559	15.8
461.19055	4.4
462.20490	19.8
463.20938	4.8
465.22632	13.7
475.21213	16.2
476.21988	13.3
477.22891	41.3
478.23657	3.5
487.21536	4.5
488.21811	3.1
489.22821	2.7
492.25385	17.3
503.24231	9.0
506.26172	2.2
507.27594	4.2
521.21515	13.5
535.26056	7.0
536.24188	53.9
537.24634	7.0
547.23163	2.4
551.26129	2.9
552.27429	13.2
561.24878	7.0
562.26013	2.9
563.26392	3.3
579.28351	7.8
592.14777	2.0
593.27527	2.8
607.28406	2.5
621.26849	5.0
622.27863	100.0
623.28198	4.4
639.31635	47.2
639.42401	4.0
640.31079	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	639.2813
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
52.97446	0.4
53.03940	1.0
55.01871	2.0
55.05512	3.3
57.03435	0.8
60.77129	0.4
65.03927	1.1
67.05509	6.5
69.07071	4.4
69.24943	0.9
69.25342	3.8
79.05499	6.6
80.59577	0.4
81.03430	1.2
81.07060	7.7
81.31895	0.4
83.04975	1.2
83.08618	2.1
87.11517	0.4
91.05494	6.6
93.07052	4.9
95.01351	0.7
95.04970	3.1
95.08612	3.3
97.06548	1.7
97.10168	0.6
105.07030	6.1
107.04990	2.2
107.08588	3.2
109.06525	3.1
109.10162	1.7
111.04423	0.5
117.07029	2.4
119.08593	5.0
121.06512	0.9
121.10165	1.9
123.08089	1.1
123.11746	0.5
125.09659	1.1
129.05037	0.5
129.07013	1.2
131.08560	3.2
133.06500	0.8
133.10159	3.2
135.08075	1.2
135.11746	1.4
140.01390	0.5
143.08589	1.3
145.10139	2.2
147.08051	1.0
147.11662	1.0
149.08498	0.5
149.09642	1.3
149.13264	0.7
151.11185	0.6
155.08556	0.9
157.10106	0.9
159.11703	2.0
161.09581	0.9
161.13271	0.5
163.11198	1.4
169.10257	0.7
171.11710	0.9
173.09579	0.5
173.13368	0.6
175.11192	0.6
177.12764	1.0
179.14287	0.9
181.10205	0.9
183.11694	1.0
185.13371	0.7
187.11266	1.0
189.12769	0.5
199.11305	0.4
235.08800	0.5
237.10359	0.5
257.19040	1.0
273.18591	3.7
275.19974	4.4
291.19562	5.5
326.12991	0.6
347.22214	1.0
349.23895	1.0
365.18390	0.5
389.88144	0.5
391.15491	0.5
393.16888	0.9
405.16891	0.9
406.18066	1.0
407.18814	2.0
408.19092	0.6
417.16751	0.6
417.89114	0.6
419.14398	0.6
419.19061	0.8
420.15414	0.8
421.20581	5.7
422.21249	1.4
423.21744	0.6
431.18613	0.5
432.19547	0.6
433.15842	0.9
433.20673	1.3
434.17532	2.0
435.17218	2.7
436.22629	1.9
437.23611	0.5
445.16614	0.7
447.22470	1.0
448.18546	2.8
449.19708	10.2
450.20505	3.5
459.18295	0.9
461.19760	1.2
462.20386	0.6
463.21753	3.8
464.22263	5.4
465.23212	0.9
473.19910	0.7
474.20395	0.8
475.21252	1.7
476.18063	0.8
477.18762	4.7
478.20074	1.9
479.21173	0.7
481.22272	0.6
491.20862	1.4
492.21426	0.6
505.22675	0.8
507.24588	1.1
521.21802	0.9
523.23853	1.8
527.33441	0.6
533.22229	1.4
535.23590	3.3
536.24060	1.5
537.21729	1.6
547.22852	0.5
549.21381	0.7
550.25879	1.0
551.26855	2.8
561.25031	3.7
563.23065	0.8
564.23590	4.2
565.24469	2.7
579.26166	7.5
581.23920	0.8
595.25824	2.6
596.26678	1.2
607.25671	0.7
610.27625	1.7
621.27234	5.0
621.42047	1.1
624.25720	4.6
639.28137	100.0
639.42334	6.7
640.28259	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.9
55.05516	23.0
57.03439	6.7
57.07079	35.3
61.79430	3.1
67.05520	34.7
69.03428	6.6
69.07062	29.0
71.04984	3.6
71.08640	21.7
71.51755	4.8
79.05495	22.6
80.41284	2.9
81.03403	6.2
81.07069	36.3
82.69409	3.2
83.04964	3.9
83.08623	12.5
85.10162	10.1
91.05478	23.9
93.07062	17.7
95.08613	24.5
97.02881	5.5
97.06559	3.4
97.10164	14.3
105.07031	16.8
107.04930	4.1
107.08588	12.6
109.10190	20.2
117.07011	9.7
119.08560	15.3
121.06454	4.2
121.10128	5.2
123.11672	4.8
125.09598	4.4
129.07027	4.6
131.08560	6.4
133.10118	13.4
135.08047	4.8
143.08583	5.4
145.10106	8.2
147.01976	3.6
147.08054	5.8
151.11285	4.6
223.13281	16.3
227.12820	5.6
253.14369	15.3
273.18512	18.9
291.19550	100.0
313.27368	78.3
324.90228	3.6
330.72635	3.5
365.23282	33.5
391.41742	3.2
457.03799	3.7
509.38013	4.5
595.27045	3.4
603.46289	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2817
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
52.08699	0.7
55.05508	1.2
59.04995	0.7
67.05486	2.5
69.07067	1.0
77.64141	0.6
79.05483	2.4
81.07063	4.4
83.08631	1.0
91.00198	0.6
91.05482	1.7
93.07044	2.1
95.05018	1.4
95.08602	2.6
98.21564	1.3
105.07031	2.0
107.08613	1.3
109.10212	0.8
117.07081	1.0
119.08535	0.8
120.12921	0.7
121.10191	0.7
131.08604	1.4
145.10143	1.4
156.71461	0.7
159.11697	1.7
181.10332	0.9
223.12299	0.8
335.26089	0.8
376.17294	1.1
377.17758	2.7
378.18671	1.5
389.17712	1.6
390.18518	2.2
391.19229	5.7
392.19968	4.8
393.21387	1.3
403.19614	1.3
404.20023	3.2
405.20807	10.2
406.21570	5.4
407.22354	16.4
417.21133	1.5
419.22540	5.8
420.23117	5.4
421.17337	1.2
421.23917	18.7
422.24704	4.0
431.22751	1.1
433.24298	5.1
434.24609	1.8
435.18262	2.5
435.25406	1.3
436.18900	2.5
437.19485	1.0
445.19864	1.6
447.21255	1.5
448.26413	1.4
449.19519	1.8
450.20520	1.9
451.21375	15.2
452.22183	4.7
460.22787	1.7
461.23358	3.0
463.21426	2.0
464.22208	1.4
465.22946	20.4
466.23566	2.1
472.19675	1.1
475.25934	0.8
477.22937	1.0
478.23752	1.5
479.24582	1.1
487.21613	3.1
488.22116	2.0
489.23367	1.0
491.20148	1.6
492.21747	1.5
493.25970	2.3
494.48926	0.8
501.22937	2.8
503.24506	16.5
504.25015	1.6
505.22385	1.0
507.27643	11.4
508.28418	4.3
517.26093	0.8
519.23975	1.0
523.23279	3.4
533.25677	2.0
534.76447	1.0
535.27130	18.9
536.27209	1.4
537.24976	10.9
551.26678	6.3
552.27283	23.9
553.27484	0.8
560.79150	0.7
561.24915	5.4
579.26074	11.1
580.26587	4.5
593.27600	1.6
595.29150	9.7
621.27185	22.4
622.27405	1.4
639.28143	100.0
639.49890	3.0
640.28229	3.6
642.27283	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	13.2
55.01863	16.4
55.05521	33.9
57.03432	27.8
57.07084	42.1
59.04995	6.7
62.46212	4.0
64.28472	5.4
65.03934	7.5
67.05507	100.0
69.07073	30.0
69.73822	4.4
69.85276	22.8
71.01341	4.9
71.08633	27.1
71.08955	4.5
74.96348	4.6
79.05495	65.3
81.03412	24.0
81.07061	72.8
83.04978	27.1
83.08621	17.1
85.10176	16.2
91.05489	78.4
93.07049	57.9
94.04192	4.1
95.01324	8.4
95.04964	53.2
95.08611	73.9
97.06528	7.9
97.10185	7.4
102.39445	4.1
103.05450	5.1
105.07040	48.5
107.04960	60.9
107.08619	26.0
109.06508	19.8
109.10159	26.1
111.04417	10.0
112.05269	5.4
113.05984	4.7
115.05430	5.2
117.07030	33.0
119.04984	8.2
119.08578	28.3
121.06504	12.7
121.10135	14.3
122.07289	19.0
123.04369	4.9
123.08061	7.6
123.11685	4.9
125.05954	4.0
125.09545	4.4
128.06232	13.2
129.07022	20.2
131.08556	27.1
133.06499	32.1
133.10126	18.0
133.23022	5.3
135.08043	12.8
135.11678	13.6
137.09688	4.6
141.06982	8.1
142.07666	5.0
143.08569	26.1
145.06503	18.3
145.10110	26.8
147.04349	6.0
147.08057	26.5
147.11707	8.5
149.13287	9.2
155.08546	12.5
157.06485	8.8
157.10112	12.8
159.08014	6.6
159.11676	9.2
161.09637	24.4
161.13329	6.6
163.07607	4.7
163.11201	9.9
167.08560	8.9
169.10117	11.8
171.11650	7.6
172.12317	4.3
175.11230	7.7
177.12741	4.7
181.10138	6.1
183.08096	4.9
183.11739	5.5
195.11732	7.1
197.13173	5.8
213.12747	5.6
215.14331	6.1
233.15334	14.1
273.18555	11.8
285.14941	5.6
290.18671	16.2
293.10172	4.0
307.18997	8.4
313.27411	63.0
335.18430	5.8
337.58188	4.8
351.23047	7.4
381.22815	15.3
381.76038	4.3
451.79803	4.5
458.20636	4.9
545.41809	17.4
573.41028	25.0
619.46429	39.7
637.30127	19.8
637.40717	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20610	0.7
67.05499	1.9
69.07068	0.9
71.07513	1.2
81.07061	0.8
88.24420	0.6
95.08595	0.9
105.06985	0.9
119.08572	0.7
121.10213	0.8
388.18146	0.9
389.18515	1.0
390.18765	0.9
391.19308	2.5
392.20050	1.5
399.15982	1.0
400.17023	0.9
401.17749	0.9
402.19205	1.0
403.19113	1.0
404.21024	1.4
405.20694	4.9
406.21634	4.8
413.17880	1.6
414.18512	2.5
415.19360	4.3
419.22455	2.5
420.22983	4.8
421.23990	6.5
427.19366	2.0
428.19922	2.7
429.20776	11.9
430.22284	3.4
432.23386	1.0
433.19727	1.9
433.24744	1.4
434.24777	1.6
442.21643	1.9
443.22604	6.6
444.23364	6.1
445.20001	3.9
447.17432	0.9
455.18564	1.3
457.24313	2.6
458.25040	6.2
459.22067	6.5
460.22742	3.8
461.19351	6.4
470.21048	1.8
471.22635	0.9
472.22897	6.4
473.19305	1.3
473.24500	1.0
475.21326	3.1
476.21973	5.8
483.18369	0.9
485.23563	12.9
486.24057	3.7
487.21350	2.7
488.22070	4.2
489.23001	1.0
499.21503	0.9
500.21921	2.1
502.24005	1.1
503.24460	19.3
505.22635	1.2
513.22803	3.1
514.23492	1.1
517.26147	8.9
531.24377	0.9
535.27112	24.2
545.25494	75.5
546.25964	2.4
563.26569	4.2
573.25092	19.0
574.25177	0.9
577.27795	1.0
605.27618	76.9
606.27283	3.5
637.30249	100.0
638.30359	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91489	0.8
54.27405	0.8
54.73446	0.7
55.05515	2.1
57.07078	2.2
67.05510	3.9
68.06222	0.9
69.07068	2.2
69.35797	5.3
69.36206	2.1
71.08639	1.6
79.05498	2.3
81.07066	3.4
83.08631	1.2
85.10163	0.7
90.36569	0.8
91.05479	1.1
93.07060	1.8
95.08617	3.3
97.10159	0.8
105.07023	1.2
107.08590	1.5
119.08571	0.9
130.40776	0.8
131.08601	1.2
133.10141	0.9
139.70345	0.8
147.11726	1.1
203.52893	0.9
209.10794	1.7
223.12358	2.0
224.13106	1.5
225.10399	1.0
225.13844	1.2
237.10359	1.2
237.13794	2.2
239.15582	0.8
265.13602	1.0
279.19788	0.9
283.10794	1.2
313.27408	1.5
405.21347	1.1
419.18604	1.8
432.19522	1.5
433.20227	2.0
447.17108	1.0
447.22476	1.6
448.22693	2.0
459.22198	2.7
461.19458	2.1
475.21594	3.8
476.22296	10.5
477.22565	1.2
491.23959	1.0
519.24158	2.0
531.24152	1.4
545.25781	1.3
547.23859	3.2
562.25970	8.9
563.26617	3.3
577.28021	3.7
622.27991	2.5
637.30237	100.0
638.30902	4.0
647.95978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.3
67.05502	0.5
70.00204	0.3
70.64097	0.9
79.05490	0.5
81.07050	0.4
93.07092	0.6
95.08602	0.6
111.05045	0.3
119.08574	0.4
123.93253	0.3
186.18782	0.3
225.18225	0.3
237.13869	0.3
388.17200	0.5
389.17780	0.6
390.18433	0.3
391.19373	0.4
401.17587	0.6
402.18387	0.8
403.19370	1.7
404.20099	0.7
405.20816	1.1
406.21820	0.4
415.19577	1.9
416.20291	0.8
417.16367	0.8
417.21564	2.1
419.22693	1.7
420.23068	0.4
428.16336	0.4
429.17191	1.2
429.21750	0.6
430.17209	2.4
431.18054	3.7
432.18933	1.0
432.23563	1.0
433.20325	1.0
435.22034	0.6
442.17859	0.4
443.18042	2.9
444.19040	2.9
445.20123	10.0
446.21262	3.1
447.22516	1.5
457.20432	0.9
458.20966	10.3
459.21695	7.8
460.17706	0.4
460.22858	6.6
461.19461	4.0
462.20444	0.9
471.22104	0.7
472.22775	0.5
473.23456	0.9
475.21057	2.1
476.21951	1.3
477.22946	2.7
485.23868	0.4
487.25272	0.5
489.18799	0.6
489.23849	0.4
490.23709	0.5
491.24478	1.8
503.20929	1.1
504.25003	1.1
505.22348	0.6
513.23425	0.4
517.21930	1.4
518.23071	6.2
530.23175	0.9
531.24139	1.4
532.24695	0.4
533.25745	3.7
535.23492	1.4
545.25549	2.6
546.26160	2.3
547.26215	0.7
549.25128	1.2
560.24316	0.6
562.25751	0.9
563.26300	0.6
573.25116	1.1
577.28442	2.8
590.25751	0.6
592.26666	0.5
605.27643	15.3
606.28510	1.5
637.30219	100.0
638.30548	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48443	0.3
55.01840	0.6
55.02071	0.4
55.05461	0.8
57.07022	1.2
57.07269	0.4
58.11680	0.3
66.63660	0.3
67.05499	1.6
69.03395	0.4
69.07039	0.7
71.08613	0.7
72.31642	0.3
79.05432	1.4
79.05849	0.3
81.03372	0.4
81.07050	1.6
82.77546	0.3
83.04924	0.3
83.08564	0.7
87.51463	0.3
91.05445	0.7
93.06973	1.1
95.04941	0.4
95.08553	1.4
105.06958	0.5
107.08560	0.5
109.10171	0.6
117.06971	0.3
119.08538	0.4
121.10071	0.3
125.09611	0.4
133.07399	0.4
135.79451	0.3
137.09534	1.0
161.17197	0.3
179.10228	0.3
182.09561	0.5
200.09608	0.3
202.72720	0.4
209.10619	0.6
221.10707	0.6
223.12340	0.3
234.11467	0.4
249.10217	0.4
253.09491	0.4
271.11911	0.3
277.12000	0.4
310.13461	0.5
345.48248	0.3
350.16263	0.4
359.14264	0.3
360.14423	0.4
363.90317	0.4
364.17191	0.4
372.14615	0.4
374.16565	0.4
377.17758	1.7
378.18527	0.8
385.14487	0.8
386.15396	1.2
387.16129	1.1
388.17911	0.7
389.17981	0.7
390.18640	0.7
391.19278	1.6
392.19983	1.1
393.20801	2.4
399.16312	2.7
400.17099	2.7
401.17722	3.7
402.18588	1.0
403.19370	0.5
405.21051	0.7
406.21698	0.4
407.22440	2.8
411.16510	0.5
412.17645	0.7
413.18097	2.8
414.18549	4.2
415.19397	7.8
416.20090	1.4
417.20721	1.1
419.18637	0.7
421.20203	3.1
425.17566	1.1
427.20029	1.7
428.20663	3.2
429.15866	0.6
429.21323	8.1
430.21942	2.7
431.18027	0.7
434.21030	0.5
435.21756	1.8
439.19324	0.9
441.16791	1.6
442.17746	1.4
443.18280	3.8
443.22598	4.4
444.18680	5.3
445.20065	2.8
446.21185	0.7
447.17627	0.7
447.22458	0.5
455.18689	1.2
456.19318	1.4
457.20633	4.8
458.15884	0.4
458.21182	3.9
459.17828	0.7
459.22183	0.4
461.19644	0.7
462.20105	0.4
463.20688	0.5
469.16269	0.5
471.22269	7.2
472.23328	5.3
473.19638	4.6
474.20471	1.1
475.17386	0.5
483.18289	0.5
484.18900	1.6
485.20013	3.3
486.20642	7.1
487.21536	2.9
488.22354	0.9
489.22897	1.2
490.19897	3.0
498.20630	0.7
499.21384	11.4
500.22842	2.8
501.18530	0.4
501.23093	0.4
502.19901	1.1
503.25012	3.7
505.22772	0.5
513.19421	1.2
514.20270	1.0
516.21814	1.7
517.22552	3.3
518.22870	0.4
521.25110	0.7
527.20776	2.9
528.21564	1.0
529.22473	0.6
530.22797	0.6
531.23987	12.7
532.23975	0.5
541.22430	0.7
543.24042	1.5
544.20685	0.5
545.21735	1.2
549.25201	0.8
559.23419	100.0
560.23773	4.1
580.57721	0.4
587.22919	16.8
588.23499	0.6
591.25800	0.7
605.23901	0.9
619.25513	92.1
620.25739	4.0
637.26556	9.5
637.42462	0.4
637.47620	0.4
638.27173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.3
51.02381	0.3
52.62848	0.2
53.00311	0.9
53.03954	0.6
55.01873	1.6
65.03948	1.4
67.05503	0.9
68.95740	0.2
68.99776	1.7
69.03426	0.4
69.07059	0.3
70.06594	0.2
70.86122	0.4
79.01856	2.3
79.05500	3.1
81.07063	0.6
85.02927	0.2
89.03911	0.6
91.05480	0.6
93.03414	0.8
93.07018	0.3
94.62134	0.2
95.04979	1.9
95.08607	0.2
97.02903	0.5
97.10139	0.3
97.77939	0.2
103.05492	0.3
105.04507	0.3
105.07050	0.6
107.01321	0.5
107.04967	3.8
107.08626	0.3
109.02890	0.3
109.06526	0.2
109.10179	0.5
111.04422	0.4
117.03396	1.1
119.08594	0.3
121.02876	1.8
121.06499	0.3
123.04463	1.0
125.02338	1.0
125.06001	0.4
127.03887	0.3
131.04926	1.0
133.10135	0.2
135.04428	11.2
137.05974	0.5
139.03911	36.5
140.04175	0.3
141.05475	0.2
143.03383	2.2
145.02855	2.5
145.10156	0.2
147.04362	1.3
149.06038	0.3
149.72528	0.3
151.03918	13.8
151.04991	0.7
153.01843	25.5
153.02940	1.9
154.02293	0.3
159.04408	0.9
163.03923	16.9
165.01877	1.5
171.84798	0.3
175.03973	0.4
177.01857	0.2
177.05495	2.2
179.03482	0.4
181.04953	3.2
181.17838	0.2
183.02930	0.4
184.89388	0.2
185.06023	0.2
187.03934	0.2
191.03404	100.0
192.03766	0.9
201.05450	0.5
203.03400	10.0
205.05013	0.6
213.05539	0.6
215.03386	0.5
227.07085	0.5
231.06517	0.8
241.05025	0.4
255.06648	0.4
273.07568	4.4
285.07660	0.3
289.07132	0.3
315.08627	38.0
316.08987	0.7
327.08624	0.8
334.80649	0.2
341.06650	2.1
349.86694	0.3
359.07724	0.3
423.10669	0.5
465.11856	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	637.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02866	0.9
55.05508	1.2
63.83820	0.8
67.05496	4.2
68.87075	0.8
69.07078	2.0
73.87381	0.8
79.05489	2.9
80.48694	0.8
81.07058	3.8
86.33496	0.8
91.05488	3.3
93.07043	2.4
95.04966	1.6
95.08611	2.3
105.07029	2.3
107.08589	2.0
109.10168	1.7
117.07034	1.1
117.17593	0.9
119.08602	1.3
121.10188	1.2
127.91489	0.9
129.07008	0.9
131.08626	1.0
143.08597	1.0
145.10226	1.3
147.11708	0.9
228.72556	0.9
230.15596	1.2
233.10693	1.3
235.12527	1.0
310.13232	1.1
320.14496	0.9
360.15399	1.1
376.16888	1.2
377.17651	2.6
378.18573	1.1
385.14859	1.1
389.17670	1.1
390.18454	1.7
391.19260	3.3
392.20209	2.2
393.20749	3.6
399.16257	1.3
400.16940	2.7
401.17828	3.0
402.18542	1.3
403.19547	1.3
405.21140	1.6
406.21594	1.9
407.22318	4.4
413.17709	2.5
414.18802	4.9
415.19351	7.6
416.20383	1.8
419.18393	1.3
419.23080	1.7
420.19312	1.1
421.20132	4.3
428.20062	3.0
429.21204	7.3
430.21719	1.6
431.18222	1.4
433.15860	1.7
435.21762	6.8
436.22418	1.7
439.19745	1.4
441.16986	1.5
443.17694	1.7
443.22546	4.1
444.18845	4.7
445.20667	2.3
446.21207	1.3
447.18289	3.2
456.19968	1.2
457.20578	5.5
458.20963	3.0
459.18103	2.3
461.19595	1.6
462.20743	1.7
463.20795	1.6
471.22461	5.7
472.22449	4.1
473.19797	5.6
474.20670	2.9
475.16858	1.2
485.19962	3.9
486.20721	5.7
487.21426	1.5
489.19202	3.1
489.23761	1.3
490.19330	5.1
491.20795	1.7
499.21338	10.5
500.21866	3.5
502.20465	1.5
503.25018	2.5
513.19135	6.8
516.21667	2.6
517.22369	14.2
518.22626	1.6
521.25348	1.4
527.20746	3.7
528.21686	1.6
529.22626	1.5
531.24432	10.3
532.21991	1.1
535.23450	1.3
543.24146	2.1
545.21979	1.6
549.24792	7.4
559.23431	77.1
560.23364	1.8
577.24402	1.6
587.23059	12.9
591.25818	4.2
605.23938	8.5
609.27319	2.0
619.25519	76.4
620.25903	2.8
637.26575	100.0
637.40198	3.6
638.26898	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	635.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.4
51.02374	0.6
53.00292	0.5
53.03928	0.5
55.01863	0.6
57.28684	0.3
65.03920	0.3
67.01870	0.4
67.05506	0.4
68.99774	0.5
69.03433	0.9
70.06565	0.4
70.65874	1.0
75.08839	0.2
75.41586	0.3
79.01863	5.3
79.05490	0.7
81.03407	1.1
81.07050	0.3
85.02908	0.7
87.00825	0.4
91.05479	0.6
93.07050	0.5
95.05002	0.4
95.08585	0.3
97.02888	1.8
105.07055	0.4
107.01313	1.5
107.04955	0.7
107.08598	0.3
109.02892	1.8
111.04449	0.4
119.04922	0.5
119.08537	0.3
123.04432	0.4
125.02345	3.1
127.03939	1.8
133.10161	0.4
135.04422	1.6
135.08038	0.3
139.03909	9.5
143.03400	6.2
147.04424	1.1
149.06012	0.4
151.03935	4.2
151.05099	0.4
153.01839	100.0
153.02901	6.1
154.02191	0.6
159.04416	0.5
163.03906	2.6
169.04973	3.3
171.02867	1.7
175.03897	0.6
177.05498	1.7
179.03391	0.5
181.04968	1.2
187.04016	0.5
189.05461	0.3
191.03406	11.7
193.04985	0.5
203.03415	3.9
205.04942	1.8
207.06544	0.8
208.06821	0.3
213.05583	0.4
215.03432	0.4
229.05081	0.3
231.06424	0.4
233.04530	0.8
259.06134	0.7
261.04077	0.4
273.07620	0.4
277.07126	1.2
285.07672	0.4
297.06061	2.8
311.76785	0.3
315.05212	0.4
315.08496	1.6
327.08707	0.5
333.06226	0.3
341.06522	0.9
359.07626	2.8
423.10962	0.5
465.11993	1.0
467.08286	0.9
580.94159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
53.00319	0.8
53.03953	0.4
55.01881	1.2
65.03945	1.4
67.05501	1.0
68.99786	1.7
69.03439	0.5
71.50529	0.3
71.50902	0.4
78.31969	0.2
79.01855	2.4
79.05492	3.7
81.07066	0.7
85.02888	0.4
89.03910	0.7
91.05486	0.8
93.03407	0.7
93.07073	0.3
95.01318	0.3
95.04983	1.6
95.08567	0.3
97.02907	0.4
103.05477	0.5
107.01309	0.4
107.04958	4.2
107.08620	0.3
108.06571	0.2
109.10179	0.4
111.04433	0.5
117.03384	0.9
117.05511	0.3
119.04944	0.3
119.08542	0.4
121.02898	1.6
123.04438	0.9
123.08068	0.3
125.02370	0.6
131.04938	0.8
135.04419	11.4
137.06003	0.7
139.03906	40.8
143.03401	2.2
145.02864	2.3
147.04385	1.5
151.03918	13.3
151.05028	0.9
151.07562	0.4
153.01839	24.3
153.02940	2.1
159.04410	0.8
162.07602	0.3
163.03915	16.1
165.01823	1.4
175.03911	0.6
177.01837	0.5
177.05472	3.0
179.03416	0.3
181.04985	2.9
183.02962	0.3
191.03398	100.0
192.03743	1.1
201.05507	0.8
203.03401	10.2
205.04951	0.6
213.05539	0.3
215.03403	0.4
231.06543	0.7
241.04988	0.5
255.06454	0.6
257.04379	0.3
273.07574	4.6
287.04758	0.3
291.05338	0.4
311.65903	0.3
315.05353	1.6
315.08612	34.0
316.08923	0.6
327.08438	1.0
339.09171	0.4
341.06488	1.9
423.10565	0.6
465.11826	2.0
485.57294	0.3
493.82153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23148	1.4
51.73943	1.4
53.03942	2.7
55.05517	24.3
57.03432	6.6
57.07071	3.7
58.37301	1.5
63.31768	1.7
65.03909	1.9
66.80912	1.6
67.05512	35.8
69.06731	2.5
69.07073	32.5
71.04986	4.6
71.51023	2.0
79.05492	14.9
81.07060	50.0
83.04983	2.2
83.08623	24.0
85.06556	3.6
91.05497	12.5
93.07053	20.7
95.05012	2.4
95.08616	39.4
97.06536	4.9
97.10175	18.2
98.91334	1.8
99.08116	2.6
105.07034	9.5
107.08609	12.4
109.06528	1.7
109.10157	19.2
111.08089	4.0
111.11718	4.4
117.07023	2.6
119.08595	11.6
121.06554	1.7
121.10155	13.0
123.08065	3.8
123.11717	9.0
125.09634	2.1
133.10133	8.4
135.11732	12.0
137.09558	2.2
137.13269	2.3
139.11234	3.0
143.53032	1.5
147.11696	7.3
149.09680	2.0
149.13268	4.1
151.11302	2.5
153.01866	8.2
153.02995	1.7
161.13268	5.7
165.12836	3.0
175.14845	3.3
185.13045	1.7
217.19527	8.4
235.20584	9.6
253.21686	5.8
262.52322	1.5
309.24203	21.7
319.04611	4.2
327.25333	100.0
328.25540	2.1
345.26300	6.9
487.41641	4.6
512.93970	2.0
542.17743	1.7
561.44879	5.9
579.46289	28.0
597.47412	2.0
633.31793	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	634.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.03943	0.6
56.66095	0.2
59.97764	0.2
65.03909	0.2
68.50416	0.2
71.51140	0.3
77.03922	0.2
77.83442	0.2
79.01846	0.4
85.02917	0.2
85.25519	0.2
87.58944	0.2
91.05489	2.7
93.07054	4.1
95.04982	0.5
103.05463	2.1
119.04995	0.3
121.06510	100.0
122.06821	1.4
125.02382	0.5
141.01869	0.3
143.03423	0.7
153.01839	16.4
153.02820	0.7
154.02141	0.5
165.05501	1.7
181.33492	0.2
215.07068	0.4
242.61526	0.2
273.07584	9.3
290.10239	23.0
291.10663	0.6
308.11316	1.3
324.10825	0.8
377.76288	0.3
402.49435	0.2
600.89331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.2
55.01866	6.5
55.05513	20.8
57.03424	6.8
57.07067	3.6
59.04993	5.0
62.70346	1.6
65.03939	4.0
67.05504	100.0
68.59274	1.7
69.03088	3.2
69.03432	37.2
69.07064	14.9
70.63811	5.4
71.01357	2.2
71.04976	5.0
78.75002	1.9
79.05025	1.9
79.05494	35.8
81.03423	25.2
81.06589	2.9
81.07057	50.2
83.04971	7.6
83.08623	11.0
84.62435	1.6
85.02882	5.3
85.06528	2.8
90.88351	1.4
91.05482	38.0
93.07043	39.6
95.04987	9.9
95.08607	31.6
95.26788	1.7
97.02883	5.1
97.06522	5.9
97.10140	4.5
105.04530	2.2
105.07027	27.5
106.19491	2.3
107.04957	5.5
107.08594	18.7
109.02880	5.5
109.06528	5.3
109.10162	52.5
111.04438	5.1
111.08072	4.0
115.05436	3.1
116.07288	1.7
116.77921	1.6
117.07002	13.0
119.08593	21.8
121.06470	4.0
121.10142	15.4
123.08092	4.3
123.11726	2.0
125.09624	6.5
127.03932	2.7
128.06244	2.3
129.07005	9.6
131.08591	16.5
133.06506	3.1
133.10114	15.1
135.08049	6.2
135.11734	9.9
137.09628	6.7
139.07497	1.9
141.06979	4.4
142.07773	2.1
143.08588	9.3
145.10109	16.5
147.08092	4.1
147.11687	6.3
149.09628	4.8
149.13258	5.3
151.07550	2.4
155.08534	4.9
155.10632	4.7
157.10135	5.6
159.08064	2.2
159.11662	10.0
161.09645	4.0
161.13278	3.4
163.11145	3.2
167.08627	2.1
169.10056	5.3
171.08116	1.9
171.11633	7.2
173.09637	3.2
173.11725	15.4
173.13246	6.2
175.11209	4.0
175.14845	2.1
183.11710	5.8
185.09724	2.6
185.13292	3.9
185.40762	1.7
189.11198	5.2
189.12741	3.6
193.12274	2.0
195.11676	2.4
197.13150	2.1
199.11304	1.9
199.14769	3.4
205.12286	2.2
209.13379	2.7
215.14444	2.5
221.15334	1.8
229.14323	17.6
245.13867	1.8
259.20602	3.0
273.18848	2.0
275.20169	4.1
285.21915	2.1
289.21552	2.5
299.14871	3.7
301.21597	8.1
303.23398	2.7
315.23065	2.3
319.22729	2.9
341.24686	3.0
351.23148	5.0
355.17477	3.1
357.24146	3.1
369.24261	11.3
371.25989	1.8
375.24814	2.1
387.25232	7.6
425.26331	2.0
443.28040	2.2
461.15454	1.9
461.28680	5.1
529.34766	2.7
597.37390	6.5
615.38892	6.7
633.38336	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.5
55.01870	4.4
55.05271	1.5
55.05516	20.0
57.03439	6.5
57.07061	2.3
57.31596	1.2
59.05005	4.4
65.03939	5.7
67.05508	100.0
69.03435	37.1
69.07080	14.2
69.49566	10.7
71.04984	4.5
79.05496	31.7
81.03426	22.0
81.06588	2.8
81.07059	47.0
83.05002	7.7
83.08617	10.8
85.02898	5.7
85.06523	3.1
91.05486	33.2
93.06490	2.2
93.07056	37.3
95.04981	10.6
95.08609	29.6
97.02888	4.7
97.06525	4.2
97.10184	8.3
99.04424	2.0
99.08128	1.4
105.04532	1.5
105.07037	28.8
107.04972	1.6
107.08600	22.3
109.02897	4.2
109.06509	5.6
109.10163	54.9
111.04456	4.5
111.08067	3.9
115.05438	1.7
117.07014	16.0
119.05042	1.4
119.08588	20.3
121.06493	4.1
121.10151	12.1
123.04411	1.6
123.08050	3.3
123.11730	1.9
125.09649	5.7
127.03918	3.7
128.06197	4.5
129.06996	10.1
131.08572	19.2
133.06502	4.8
133.10147	14.1
135.08055	5.0
135.11705	9.2
137.09612	4.8
139.11131	1.5
141.06969	3.0
142.07747	2.8
143.08566	8.6
145.06483	3.3
145.10132	11.5
147.08063	4.9
147.11717	8.6
149.09645	4.2
149.13245	5.2
155.08575	5.3
155.10678	4.1
157.06462	2.0
157.10150	7.0
159.08073	2.8
159.11691	7.9
161.09683	3.3
161.13283	4.6
163.11111	2.1
167.08595	3.3
169.10094	5.1
171.11700	6.2
173.11751	13.3
173.13297	4.9
175.11171	3.1
177.05473	2.8
177.12852	2.4
177.83775	1.5
181.10155	2.3
183.11703	3.7
185.09708	1.9
185.13277	5.6
187.11183	2.0
187.14758	3.0
189.11211	3.7
189.12762	2.4
191.14310	1.9
195.11780	2.7
195.13773	2.1
197.13287	3.1
199.11224	2.2
199.14911	2.9
201.12772	2.0
203.14308	1.7
213.12819	1.6
229.14311	17.5
259.20786	2.0
261.22079	1.8
277.21701	2.4
283.15338	1.6
289.21677	2.1
299.14938	2.4
301.21735	5.3
303.23099	1.7
311.23941	1.9
313.21683	1.7
319.22604	3.2
327.23581	1.8
339.23416	1.7
341.24838	4.3
345.24350	2.2
351.23361	4.4
353.24237	1.6
355.17697	2.8
367.21808	1.5
369.24164	10.5
375.25507	1.7
387.25128	4.8
405.26770	2.0
443.28033	2.5
461.29037	5.2
489.35480	2.3
525.34985	1.5
529.35254	2.0
555.36481	1.6
597.38037	5.0
615.39447	6.4
633.39618	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	633.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
55.05509	2.2
57.07064	2.0
65.03945	1.1
67.05491	4.6
69.03421	2.5
69.07077	5.8
70.06585	3.8
70.80750	1.0
71.04967	1.3
71.51630	1.8
79.01861	1.1
79.05484	3.3
81.03428	2.4
81.07056	3.6
82.06590	1.1
85.02900	1.9
91.05489	2.1
93.07048	3.1
94.06564	2.7
95.04979	3.0
95.08613	2.5
97.02847	1.3
99.04477	1.8
105.07045	2.9
107.04901	1.7
107.08599	3.2
109.02925	1.5
109.10175	2.5
115.81676	1.2
116.07143	1.4
119.08598	2.4
120.08076	1.9
121.06508	1.9
121.10100	1.8
122.06018	4.2
123.04424	1.7
125.05927	1.7
127.03909	2.3
131.08536	1.4
133.06453	1.2
133.10187	1.7
134.06001	3.0
134.96381	1.1
136.07587	15.7
137.06023	1.2
139.03914	7.9
140.07089	8.5
143.03363	2.5
145.10094	2.0
146.06013	6.2
146.08113	2.8
147.04372	1.8
148.07545	2.5
148.90607	1.1
149.02393	12.3
150.09190	1.5
151.03893	4.7
151.07544	1.5
152.07031	2.8
153.01851	22.8
159.08002	1.2
159.11583	1.4
163.03963	2.3
164.07080	15.7
165.05479	3.0
166.08684	7.7
167.07011	6.2
172.03963	4.6
174.05527	3.1
176.07109	8.9
190.05008	1.7
191.03421	2.3
193.98274	1.3
204.06592	8.3
205.08517	1.3
206.08203	2.2
208.09688	1.3
210.11528	3.4
221.10451	1.4
223.12306	1.2
224.12988	1.2
225.10339	2.0
227.11699	1.8
235.12357	2.3
236.12955	1.6
237.10263	7.7
237.13916	2.9
238.11017	7.2
239.11737	10.9
248.09514	2.9
249.10222	7.6
250.10989	4.8
251.11867	9.6
251.23996	1.1
253.13306	2.5
263.11801	19.5
264.08896	1.4
264.12494	5.5
265.09769	8.0
265.13364	21.3
266.14111	1.9
267.11218	4.1
269.12943	1.5
271.14349	4.1
277.09827	2.0
277.13327	1.5
278.10538	2.5
279.11292	63.1
280.11868	5.3
280.21838	1.2
281.12784	3.4
282.13751	1.5
282.55981	1.1
283.10791	1.7
283.14322	1.6
287.13766	3.5
291.11206	7.6
292.11954	2.2
293.12787	6.3
294.13739	1.6
295.10828	2.2
296.11618	1.7
297.12354	40.9
298.13034	3.3
309.12341	51.0
310.13113	17.5
311.13846	7.2
313.11743	3.2
313.18030	1.5
319.04398	6.7
319.10803	4.1
321.12347	6.0
323.04211	1.4
325.11542	2.1
337.11847	41.6
338.12631	15.6
339.13400	39.6
340.14056	1.8
345.14490	3.6
369.14444	50.8
370.15414	8.2
371.16068	35.0
438.20370	2.0
442.17477	3.0
450.19916	1.6
460.18738	28.9
461.19391	2.8
466.19928	1.7
478.19745	23.0
479.20496	3.4
480.21323	6.0
492.21381	2.1
510.22385	100.0
511.22885	6.7
532.24744	1.3
581.14838	1.5
583.24811	2.2
601.26648	42.5
602.26495	1.7
633.29163	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	633.292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05493	0.7
53.98412	0.8
55.05502	0.9
67.05501	1.1
69.03419	1.0
69.07050	3.3
69.62085	0.7
69.70916	4.7
70.29720	0.9
73.85165	0.8
81.07034	2.2
91.05493	1.2
93.05802	0.8
93.07025	1.3
94.06591	4.4
95.04970	1.6
95.08615	1.0
98.20768	1.6
106.06535	1.8
108.08100	1.2
120.04490	0.8
120.08134	0.8
121.10113	1.4
122.06027	11.8
123.04423	1.1
133.08685	0.9
134.05998	2.9
136.07568	14.3
139.03902	2.0
140.07066	16.9
146.06046	9.0
146.09595	1.2
148.07574	8.6
150.09099	1.2
152.07098	3.8
153.01868	5.3
162.05438	1.6
164.07076	12.9
166.08644	10.4
172.03940	7.4
173.04689	1.0
174.05501	5.6
174.09137	1.1
176.07076	19.5
190.05063	3.2
204.06621	8.5
206.08026	1.8
208.09673	2.1
209.10626	1.1
210.11426	1.3
211.12262	2.2
218.08168	1.0
221.10689	1.4
223.12306	2.0
224.09309	1.4
224.12935	0.9
225.10205	3.5
225.14061	0.8
226.11069	0.9
227.11858	1.3
235.08585	1.2
235.12270	4.4
236.13126	1.8
237.10149	8.4
237.13860	1.2
237.30470	1.0
238.11008	11.2
239.11804	13.0
246.07574	1.5
248.09399	2.6
249.10327	4.2
250.11081	2.0
251.11772	11.5
252.12498	1.7
253.13394	2.6
255.11229	1.1
261.12408	2.6
262.10989	1.6
263.11780	12.0
264.08795	2.4
264.12494	3.0
265.09769	5.7
265.13348	22.0
266.10547	2.4
266.13940	1.8
267.11249	3.4
269.12769	1.6
271.14413	7.0
275.11850	1.9
277.09717	3.8
277.12891	3.9
278.10516	3.3
279.11279	100.0
280.12018	8.2
281.12817	2.7
283.10895	1.8
283.14545	1.0
285.12381	1.9
287.13895	8.2
289.15515	1.1
291.11188	5.2
292.12061	1.5
293.12808	7.9
294.13489	1.5
295.10794	2.1
295.14471	2.6
296.11584	3.0
297.12344	56.3
298.13068	7.1
299.13889	1.3
309.12341	33.8
310.13159	14.7
311.13922	4.7
313.11856	5.6
315.13425	1.5
319.10623	4.8
321.12335	10.0
323.10306	0.9
324.11035	1.9
325.11740	4.9
331.12775	2.3
337.11826	56.9
338.12564	16.6
339.13403	70.3
340.14084	3.0
345.14410	3.6
367.12772	1.0
369.14435	12.3
370.15182	1.8
371.16034	32.8
372.16397	1.8
385.13971	1.7
400.16544	3.3
401.17273	0.9
418.17456	1.9
420.19739	1.1
438.20291	4.9
442.17679	2.9
450.19824	1.4
460.18692	60.2
461.19409	3.7
462.20358	1.1
464.17950	2.5
465.18570	0.9
466.19510	2.7
478.19736	45.5
479.20227	3.5
480.21384	10.6
492.20920	1.4
493.22171	0.8
510.22464	16.0
511.22607	1.6
583.25397	3.1
601.26599	41.6
602.26910	1.3
633.28040	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1814
Annotation	Galloylpaeoniflorin
Peak:m/z	Relative Intensity
51.02376	1.4
53.03947	1.3
55.01872	0.9
57.03446	0.6
65.03934	0.6
67.05505	2.2
69.03429	5.3
69.07076	0.7
70.06585	1.1
71.51054	0.4
75.04492	0.5
76.03440	0.5
79.01852	5.1
79.05497	1.9
79.46777	0.4
81.03412	1.8
81.07057	1.9
83.05019	0.5
84.08121	0.6
85.02891	1.0
86.09723	0.6
91.05482	4.8
93.07051	13.3
95.05003	2.5
95.08618	4.1
97.02892	2.0
97.10143	0.4
103.05499	1.1
105.04535	0.5
105.07045	2.6
107.01314	1.0
107.08602	1.6
109.02859	1.1
109.06510	0.7
109.10135	1.2
111.04422	1.0
111.08094	1.2
116.07037	0.5
117.06995	0.7
119.05003	0.7
119.08580	1.0
121.02876	0.5
121.06514	26.9
121.10141	4.0
123.04443	0.6
125.02362	2.9
127.03924	5.3
129.07048	0.5
131.04930	0.5
131.08626	0.6
133.06450	0.7
133.10030	0.4
135.08049	1.9
137.02373	1.2
137.05952	1.0
137.09631	0.6
139.03912	11.6
143.03392	5.7
143.08653	0.6
145.06480	1.0
147.04410	1.0
147.08064	1.0
149.05920	0.6
149.09647	0.9
151.03922	4.4
153.01842	100.0
153.02902	5.6
154.02190	1.0
159.04453	1.7
161.05983	1.3
163.03928	2.0
163.06154	0.7
163.07539	8.0
163.08815	0.7
165.01889	1.6
165.05484	1.0
166.07788	0.9
167.03378	2.1
167.08539	0.7
167.10747	0.6
171.02936	0.5
173.05959	0.6
177.05472	3.0
179.03404	6.8
179.07002	2.4
181.01442	0.5
181.05014	0.6
181.06468	0.6
181.10164	1.2
183.02907	4.7
185.09634	0.6
188.88409	0.5
189.05452	0.7
191.03468	1.1
193.04951	0.5
194.07213	0.5
195.02902	1.3
199.07533	0.5
199.11165	0.6
203.06938	0.7
205.04970	7.5
207.03012	0.9
207.06526	1.2
209.09688	3.0
213.03922	0.7
219.08273	0.6
222.06941	0.5
227.07034	2.3
227.10760	0.8
229.05113	0.8
231.06609	1.2
237.04047	1.3
237.09146	2.7
240.07880	0.7
243.06558	0.8
245.08214	0.9
245.11752	1.2
247.05728	0.5
255.10139	2.6
259.09918	0.6
265.08612	1.3
273.11221	3.1
279.05057	1.2
283.09659	11.1
287.09146	0.4
291.12177	0.5
297.06024	2.2
301.10724	40.5
302.11121	0.9
315.07147	1.2
319.04565	1.7
319.11761	5.8
449.07480	0.6
467.08264	2.4
615.16772	0.7
633.29730	0.6
660.44421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.6
55.01860	0.4
57.03452	0.5
61.02939	0.4
68.99786	1.0
69.03429	2.9
70.06586	0.7
71.35197	0.8
72.08141	0.5
79.01849	5.4
81.03419	1.7
81.07050	0.6
84.08147	0.7
85.02904	2.8
87.04484	0.4
91.05484	0.8
93.07032	0.5
97.02896	4.2
97.06506	0.3
99.04411	0.4
105.07029	0.6
107.01311	1.3
107.08604	0.3
109.02881	1.6
111.00808	1.5
121.06542	0.8
125.02351	2.6
127.03921	1.9
133.10135	0.6
137.02345	0.9
139.03926	0.6
139.24681	0.3
140.73140	0.3
143.03412	6.3
145.10167	0.4
147.04413	0.6
153.01839	100.0
153.02884	5.1
154.02173	0.7
154.80397	0.4
161.05994	0.4
165.01860	1.4
165.05563	0.3
167.03386	0.8
168.03777	0.4
171.02913	0.7
173.09662	0.4
178.97095	0.4
179.03419	1.0
181.04852	0.5
183.02882	0.4
189.05504	0.6
207.02840	0.6
217.05011	2.2
245.04478	2.8
263.05634	0.7
273.03909	2.7
290.04276	0.8
297.05991	0.5
301.03433	1.0
315.07135	0.9
316.07974	0.4
319.04504	51.7
320.04938	0.6
471.05640	22.5
615.24799	0.4
633.38489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1091
Annotation	Myricetin 3-(6''-galloylgalactoside)
Peak:m/z	Relative Intensity
50.01601	0.2
51.02376	0.6
53.03944	1.5
55.01872	0.3
56.50510	0.2
57.03430	0.8
61.02925	1.2
68.99795	1.4
69.03433	6.7
70.06575	0.2
70.76448	0.7
71.04997	0.8
72.08143	0.2
73.02927	0.3
78.79067	0.2
79.01856	3.4
81.03418	3.8
81.07064	0.3
83.01356	0.3
83.25546	0.2
83.84054	0.2
84.08134	0.3
85.02908	5.7
91.05455	0.2
93.07053	0.3
95.01369	0.2
97.02895	17.2
99.04443	1.3
105.07037	0.6
107.01332	1.8
107.08600	0.3
109.02892	4.4
111.00797	2.4
111.04410	0.3
119.04967	0.2
121.06526	0.6
122.06916	0.2
125.02339	2.7
127.03929	5.3
137.02364	1.8
137.05981	0.4
139.03931	0.5
143.03401	4.0
145.04962	3.1
147.04466	0.4
153.01836	77.0
153.02884	4.4
154.02188	0.7
160.46039	0.2
161.06010	0.4
163.03912	0.2
165.01849	3.6
166.02600	0.6
166.08549	0.2
167.03458	0.4
171.02907	7.4
174.89177	0.3
177.05487	0.5
179.03406	1.3
183.02852	1.1
189.05495	0.8
191.03429	0.3
193.01389	0.5
195.02963	0.9
199.03894	0.6
203.03299	0.5
207.02895	0.6
217.04970	3.8
221.04439	0.4
227.03453	0.4
231.02898	0.3
235.06097	0.2
245.04465	4.3
255.02922	0.6
263.05536	0.8
272.02988	0.4
273.03931	4.6
290.04288	1.3
297.06079	0.8
301.03430	1.3
315.07129	0.8
319.04486	100.0
320.04764	1.2
329.03110	0.3
331.04575	0.5
397.05643	0.4
410.53748	0.2
498.07855	0.3
566.42511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1086
Annotation	Myricetin 3-(2''-galloylgalactoside)
Peak:m/z	Relative Intensity
50.01594	0.4
51.02393	0.4
54.62441	0.4
55.01862	0.5
57.55903	0.4
57.68093	0.4
68.99766	0.5
69.03431	8.8
70.29491	1.3
79.01850	3.2
81.03394	0.7
85.02903	0.5
97.02879	1.6
107.01327	0.7
109.02867	1.4
111.00790	0.6
120.25117	0.3
125.02349	2.4
127.03927	5.3
137.02342	0.6
142.94716	0.4
143.03403	4.1
153.01833	100.0
153.02872	5.0
154.02138	0.8
159.04396	0.8
163.03947	1.2
165.01839	0.7
171.02885	1.4
175.03896	0.5
179.03418	1.3
191.03448	2.2
195.02924	0.5
205.04982	0.9
207.02867	1.4
209.04488	0.6
215.03545	0.4
217.04967	1.4
221.04344	0.6
233.04454	1.2
237.03905	3.2
244.73003	0.4
245.04488	1.3
273.03973	1.1
279.05057	0.6
297.06134	4.1
311.35150	0.4
315.07150	4.8
319.04495	22.8
356.46469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.4
51.02378	0.5
53.03944	0.9
55.01870	0.7
57.03438	0.5
68.99796	1.0
69.03423	2.3
69.91161	0.7
69.91570	0.5
71.04991	0.4
74.76251	0.2
79.01858	4.7
81.03423	8.3
83.61524	0.2
85.02912	1.9
87.00814	0.3
97.02895	5.4
99.04480	0.8
107.01318	2.3
109.02889	5.0
111.00809	1.4
125.02354	4.2
127.03928	5.1
135.04410	0.2
137.02351	1.0
143.03403	5.2
143.36108	0.2
145.04980	1.0
153.01839	100.0
153.02887	5.8
154.02179	0.5
158.88741	0.3
165.01849	1.6
166.02646	0.3
171.02893	8.6
177.84204	0.2
179.03412	0.8
183.02914	0.4
189.05460	0.3
193.01456	0.3
195.02980	0.4
203.03479	0.3
217.04935	1.8
233.04745	0.2
235.02437	0.3
245.04485	3.0
255.02710	0.3
263.05444	0.3
273.03943	2.4
290.04230	0.7
297.06064	8.0
301.03503	0.8
315.07175	2.3
319.04504	50.8
320.04886	0.7
361.05643	0.4
397.50690	0.3
403.39011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
64.16862	0.2
70.06587	0.3
70.97830	0.5
77.03931	0.4
79.01865	0.5
85.02885	0.7
91.05489	2.7
93.07049	3.7
95.04969	0.6
96.32584	0.2
97.02950	0.3
103.05465	3.0
105.04510	0.3
113.02431	0.3
119.04901	0.3
121.06516	100.0
122.06850	2.6
125.02419	0.5
137.06017	0.3
138.09140	0.4
141.01849	0.2
143.03416	0.7
146.96617	0.2
147.04439	0.3
153.01840	18.5
153.02823	0.9
154.02145	0.4
165.05505	2.6
187.07550	0.3
215.07187	0.3
271.05893	0.6
273.07568	9.2
274.07861	0.4
288.08737	0.3
290.10251	24.9
291.10608	1.2
306.09772	0.7
307.08054	0.3
308.11353	1.5
311.64270	0.3
313.53482	0.2
399.01807	0.2
586.42847	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86401	0.8
60.80471	0.6
65.03952	0.7
67.05508	1.7
68.05028	0.7
69.07076	5.1
70.42575	2.1
79.05489	1.0
81.07060	0.9
83.04945	0.7
91.05468	0.9
93.79328	0.8
94.06571	7.7
95.04961	1.4
105.06996	0.7
108.08123	2.5
112.07613	3.0
118.06522	1.5
122.06033	25.8
123.04418	1.2
124.07553	1.2
133.58723	0.7
134.06007	2.0
136.07587	1.7
139.03918	1.5
140.07072	45.6
144.04439	4.4
144.08115	0.9
145.05255	1.0
146.06009	16.8
147.06766	0.9
148.07549	3.4
152.07066	1.2
153.01802	1.0
160.07603	1.2
162.05484	3.2
163.06296	0.8
172.03940	20.8
172.07532	1.1
173.04736	4.0
174.05515	22.3
176.07089	8.5
182.09718	1.3
186.07509	0.7
186.09140	1.2
190.04996	5.7
191.05736	1.2
192.06508	1.4
196.09924	1.3
197.10805	2.6
198.09236	1.0
199.08757	1.6
199.12347	3.0
204.06570	40.6
206.08127	16.7
206.16278	0.8
209.10822	0.8
210.09348	1.2
211.08682	3.0
211.12219	0.9
212.09436	1.9
213.10316	1.2
223.08653	1.7
223.12366	0.9
224.09367	1.8
225.10207	8.4
227.11797	16.5
235.08678	1.1
235.12337	1.0
236.09489	1.3
237.10217	3.9
238.11020	2.3
239.08218	0.8
239.11893	4.1
241.09787	2.4
241.13322	1.1
242.11868	1.0
243.11313	2.4
248.09695	0.8
249.10172	3.3
250.11028	1.0
251.08083	1.0
251.11852	3.5
253.09618	3.5
255.11234	1.3
261.12317	3.9
263.08249	1.3
263.11862	2.3
264.08984	1.2
265.09668	4.1
266.10501	1.1
267.11301	3.2
269.12857	14.0
271.10648	3.8
275.11588	0.8
277.09787	2.3
278.10419	1.2
279.11340	2.7
281.09152	0.8
283.10788	11.9
284.11420	5.1
285.12280	7.0
287.13922	33.8
289.13370	1.1
291.11475	1.0
293.12830	0.9
295.10571	1.7
296.11737	1.0
297.12485	4.5
300.11960	0.9
300.15091	1.0
301.12238	4.6
302.13080	1.6
303.13461	1.1
309.12497	1.7
312.11841	0.9
312.15381	1.5
313.11819	49.2
314.12827	4.6
315.13821	3.3
316.14468	8.1
323.10263	1.2
326.16714	1.9
327.13788	1.3
327.17377	1.7
328.11023	1.0
328.14471	3.1
329.11630	4.7
329.15375	3.1
330.12393	2.9
330.16058	7.6
331.12936	8.4
331.16879	9.4
332.17422	1.4
336.11310	0.9
337.12061	2.1
338.12769	0.9
339.13876	0.9
340.14688	1.6
341.12701	1.9
342.12506	7.8
342.16132	1.5
343.13269	4.3
344.13959	1.2
344.17548	7.3
345.14481	18.9
354.12469	1.4
354.16452	1.4
355.13562	2.1
356.13852	6.6
357.14975	3.3
358.11465	1.1
358.15549	10.3
365.11432	1.6
366.64935	0.8
367.13220	1.6
368.14044	1.5
369.10791	1.1
370.11752	1.8
370.15750	4.4
371.12573	1.0
372.17258	5.0
375.16187	1.2
380.13867	2.1
382.11554	3.8
382.16025	1.3
383.12546	3.7
384.13412	15.8
385.14249	4.5
386.14642	5.5
386.18900	2.0
388.16620	2.4
390.18121	7.6
396.17319	1.3
397.15060	1.2
398.14969	17.1
399.15805	26.9
400.16589	38.5
401.17282	1.3
402.14551	2.6
412.16687	2.6
414.18362	6.6
415.19196	1.8
416.15881	3.7
417.16803	7.9
418.17715	11.1
430.17834	3.6
431.18634	2.0
440.15958	5.3
441.17233	1.1
442.17520	1.1
444.15665	2.5
458.17120	47.1
459.17856	26.5
460.18674	7.2
474.17294	2.2
476.18060	0.9
490.19775	7.2
491.20721	3.0
555.26166	3.2
557.23932	5.5
581.24091	8.8
599.25018	100.0
600.25061	3.6
631.27881	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
66.50158	0.7
67.05502	1.9
69.07079	4.3
69.49519	1.4
69.49928	3.1
79.05481	0.8
80.05043	1.0
81.07035	1.6
86.09727	0.7
94.06581	8.0
95.05002	1.7
106.06670	0.7
107.65810	0.7
108.08139	2.2
110.06076	1.1
112.07631	1.2
116.05036	1.0
120.04520	0.7
120.08112	1.5
122.06033	24.1
123.04459	1.5
134.06042	2.1
136.07561	0.7
137.05959	1.3
139.03918	9.7
140.07074	36.6
144.04488	3.3
146.06020	13.3
147.06841	1.8
148.07602	2.3
151.03923	1.4
152.07143	0.9
153.01834	4.7
162.05566	2.1
163.03995	0.8
163.06287	1.0
164.07111	0.8
172.03949	22.0
172.07570	1.1
173.04778	2.7
174.05511	19.5
176.07057	7.1
178.08627	1.0
182.09642	0.9
186.09129	0.9
190.05011	4.1
191.05823	2.2
192.06595	1.7
197.10951	1.1
199.08661	0.7
199.12436	2.4
201.10251	0.7
204.06577	39.3
206.08127	12.2
211.08699	3.0
211.12236	0.8
212.09413	1.3
213.10359	1.4
216.10129	1.4
223.08684	1.6
224.09325	1.7
225.10197	6.6
226.11026	1.7
227.08308	1.4
227.11810	15.8
237.10301	2.6
238.11052	1.3
239.11781	4.9
241.09686	1.5
241.13449	1.1
249.10266	1.0
251.11861	3.0
253.09695	2.6
253.13403	0.8
255.07721	0.8
255.11545	1.0
261.12500	2.3
264.09131	1.1
265.09720	2.9
266.10406	1.1
267.11331	2.6
269.12854	12.6
271.10806	4.7
277.09650	1.5
279.11154	1.6
283.10837	11.2
284.11517	5.9
285.12320	6.8
287.13913	33.4
288.14978	0.7
291.11197	0.8
295.10779	1.2
296.11771	0.7
297.12473	3.2
298.13199	1.2
300.11896	0.8
301.11935	3.9
302.12723	1.6
312.15143	1.1
313.11819	37.8
314.12927	3.2
315.13809	2.6
316.14417	6.9
323.10294	2.2
324.10916	0.9
326.16617	0.9
327.13910	0.8
328.11136	1.0
328.14624	2.4
329.11630	2.2
329.15411	2.8
330.12375	4.1
330.16162	6.4
331.12943	7.2
331.16940	8.7
332.17587	1.3
340.14719	1.3
342.12323	6.2
343.13397	3.6
344.14017	2.0
344.17679	5.2
345.14487	22.5
352.14368	0.8
354.16010	1.9
355.13489	1.9
356.13974	4.9
357.15118	2.8
358.15494	9.2
363.15588	1.5
366.15869	0.9
369.11002	0.9
370.11807	1.9
370.15683	5.1
371.16827	1.3
372.17294	4.7
374.18784	1.1
380.14276	1.3
382.12082	2.6
383.12714	1.5
384.13406	12.5
385.14218	5.1
386.14597	5.0
386.19217	1.5
388.16852	1.0
390.18158	6.2
396.17157	1.2
398.14957	14.1
399.15826	26.6
400.16580	37.5
401.17258	1.1
402.14566	2.3
403.19119	1.0
412.16559	2.5
414.18250	8.0
415.19019	2.0
416.15540	3.3
417.16891	6.5
418.17545	8.8
422.15002	1.1
430.17719	2.5
431.18536	1.3
440.16312	3.9
441.16632	1.5
442.17740	1.6
444.15607	2.4
458.17166	35.6
459.17935	17.5
459.24408	0.9
460.18634	3.7
490.19870	3.7
491.20401	3.3
555.26099	2.0
557.24084	2.8
581.23877	6.7
599.25055	100.0
600.25085	2.1
631.19110	1.6
631.27625	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	630.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16420	0.7
55.05512	1.6
57.01999	0.7
57.07080	69.4
59.04707	1.1
59.05007	16.1
67.05498	1.7
69.07062	2.1
71.06258	1.3
71.06613	1.1
71.08636	67.1
73.06563	3.8
81.07049	1.5
83.08633	2.1
85.10187	60.1
86.74345	0.9
87.04471	10.5
89.06039	100.0
91.05480	1.2
97.29049	0.8
99.11742	5.3
103.07590	7.3
107.07072	1.3
117.09154	3.0
130.08656	1.4
131.06984	3.8
132.77429	0.7
133.08614	75.1
134.08958	1.0
141.16382	5.2
161.11826	1.1
175.09688	4.0
177.11230	32.5
195.12392	0.8
199.20599	7.7
217.64902	0.9
219.12346	1.7
221.13855	4.3
234.11238	0.8
243.23206	3.9
253.93155	0.8
265.16464	2.0
270.41626	0.8
283.17529	1.5
302.10211	0.9
309.19052	1.4
327.20209	1.7
353.21820	1.2
371.22983	2.3
397.24341	1.2
415.25394	11.3
455.28452	1.1
613.44885	1.0
630.47937	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
54.40572	0.5
55.01870	2.0
55.05501	0.6
61.65354	0.6
65.03931	1.7
67.05503	2.6
68.99817	0.7
69.03419	1.6
69.07067	1.5
70.06589	0.8
71.50651	0.8
74.14659	0.5
75.37852	0.5
79.01874	1.4
79.05501	3.0
81.03422	1.2
81.07054	2.5
83.04980	1.1
83.08582	0.8
85.02908	1.2
86.09727	0.5
91.05496	3.2
93.03422	1.0
93.07056	2.2
95.04974	3.6
95.08611	2.2
97.02878	0.8
97.06493	0.7
100.11279	0.8
103.05472	2.4
105.03408	1.8
105.07036	2.1
107.04963	1.9
107.08595	1.0
109.02873	2.0
109.06510	1.6
109.10152	1.1
111.04450	1.7
117.07050	2.0
117.63725	0.6
119.04948	4.4
119.08589	1.2
121.02915	1.1
121.06503	0.6
121.10130	1.6
122.03623	0.6
123.04438	34.0
123.07998	0.6
123.11674	0.7
125.05997	1.7
127.03938	0.9
131.04933	4.1
131.08574	1.5
133.10139	1.2
135.04437	4.9
135.11726	0.7
136.15924	0.6
137.02342	1.0
137.05980	17.0
139.03909	16.8
141.06943	0.6
143.03452	0.8
143.04985	0.8
145.06505	4.2
145.10147	0.6
147.04428	18.5
147.11707	0.7
149.05937	0.9
151.03915	100.0
152.04478	0.6
153.01848	9.3
153.02977	1.0
153.05466	5.3
154.63481	0.6
159.08083	1.3
161.06013	3.7
161.09549	0.7
163.03914	5.4
163.07529	1.7
165.05481	6.9
167.07071	13.3
173.06035	4.1
173.13298	0.6
175.03951	0.7
175.07510	1.3
177.05420	1.2
177.09143	1.5
179.07033	1.3
181.04964	5.8
187.07571	2.4
189.05406	0.8
191.08604	0.9
193.05023	4.3
193.08539	0.7
205.08629	4.4
207.06512	3.2
215.06956	0.8
217.08627	1.6
219.08160	2.9
239.06949	0.7
243.06474	1.0
247.07581	3.1
249.11264	6.4
251.10677	1.3
263.11755	0.6
267.06564	0.9
279.10162	4.3
285.07535	3.3
287.05542	1.2
303.08652	76.0
304.09042	0.8
311.12943	3.1
329.13840	51.0
330.14206	1.5
336.11252	0.7
455.29877	0.8
479.16830	0.7
599.24750	0.6
630.45349	1.2
631.33301	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	630.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.7
60.40902	0.3
67.05515	1.1
67.55659	0.4
69.07072	0.7
69.41135	0.6
69.41541	2.1
70.06596	68.4
70.84028	0.3
79.05505	1.0
79.18877	0.4
81.03416	0.5
81.07056	1.0
85.40271	0.3
87.04405	0.4
91.05527	0.8
93.07043	1.3
95.08624	0.7
98.06069	0.4
98.20787	0.8
98.21447	0.8
104.02927	0.4
105.07050	0.9
107.08590	0.4
109.10145	0.5
116.07099	100.0
117.07445	0.5
119.08619	0.4
133.10155	0.5
146.22691	0.4
160.30899	0.4
208.20230	0.4
341.10172	0.4
347.00369	0.3
630.35260	0.5
632.53345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.4
51.64247	2.2
51.75282	2.1
53.03945	8.3
55.01871	10.7
55.05514	35.2
57.03439	8.4
57.07077	14.2
59.04990	3.6
60.82031	2.3
65.03949	3.9
67.05509	100.0
68.05840	2.2
69.03434	5.8
69.07074	34.9
71.04999	5.6
71.08633	7.2
79.05500	62.6
81.03423	8.8
81.07061	90.9
82.07397	5.4
83.05000	11.2
83.08622	22.3
85.06557	3.9
85.10186	6.1
88.90135	2.5
89.06034	9.4
91.05485	43.6
93.07048	59.8
94.07400	3.7
95.04982	19.2
95.08616	53.5
96.08920	2.7
97.06538	14.3
97.10179	10.1
99.04491	3.9
99.08051	5.7
105.04517	3.1
105.07037	43.7
107.04971	10.3
107.08588	39.7
109.06532	9.6
109.10160	31.1
111.04453	5.5
111.08097	5.5
117.07037	15.4
119.08585	31.6
120.08856	2.4
121.06519	4.9
121.10133	22.5
123.08092	2.9
123.11716	10.8
125.09637	9.0
129.05522	3.2
129.07062	6.3
131.08585	21.6
133.08545	4.9
133.10144	25.5
135.08090	6.4
135.11693	11.9
137.09715	2.4
137.13235	2.7
139.11211	3.2
143.08578	6.2
145.10121	23.2
146.10431	2.5
147.08098	2.9
147.11717	16.8
149.09668	15.4
149.13358	5.4
151.11205	7.4
155.08531	2.7
157.10162	8.3
159.11754	11.0
161.13275	8.7
163.11195	10.4
163.14857	2.7
165.12755	4.6
169.10159	2.6
171.11707	4.4
173.13290	5.8
175.14842	6.5
177.11279	3.7
179.14326	5.5
183.11758	4.7
185.13264	4.4
187.14847	4.2
189.11229	6.9
199.14862	3.1
201.16408	2.4
205.12305	2.6
223.13263	12.0
227.12807	2.4
229.14481	4.1
229.19473	2.8
230.12599	2.3
239.18013	2.5
257.19052	4.6
273.18500	6.7
275.20084	45.0
276.20419	5.5
277.21472	6.4
291.19516	5.8
293.21127	10.5
331.73654	2.1
335.25800	7.3
337.27374	19.8
349.23746	13.0
351.24969	4.6
383.33023	3.3
424.60599	2.6
515.36908	4.3
517.38971	7.8
537.42590	5.0
611.46698	39.9
623.02112	3.5
629.47772	55.0
630.48743	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	629.478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	1.4
53.03945	4.8
55.01880	9.1
55.05516	41.0
57.03444	9.3
57.07090	7.5
59.53657	1.2
65.03944	6.2
67.05509	92.1
68.05845	1.6
69.03429	3.5
69.07072	46.8
70.07384	1.5
71.04988	5.4
71.08634	4.7
72.04485	1.4
79.05497	60.7
81.03421	5.0
81.07063	100.0
82.07353	1.5
83.04981	8.4
83.08624	23.4
85.06550	4.3
85.10184	1.7
89.06046	2.0
91.05486	43.8
93.07054	61.3
95.01314	1.4
95.04977	10.2
95.08611	63.2
96.08912	2.0
97.06539	12.9
97.10172	16.8
97.39912	1.3
98.21516	3.6
99.08111	5.4
101.09670	1.5
103.77383	1.3
105.04519	2.7
105.07039	37.3
107.04980	8.7
107.08603	41.8
107.09310	2.6
108.02164	1.4
109.06519	5.7
109.10155	30.0
111.08092	7.1
111.11743	2.9
113.00037	2.7
113.06015	1.7
113.09665	2.7
117.07021	15.2
119.08588	33.9
121.06517	5.0
121.10158	25.8
123.08099	5.5
123.11729	10.2
125.09623	8.5
127.11240	1.5
128.06224	2.4
129.07010	8.6
131.08569	22.1
133.08627	2.0
133.10143	24.2
135.08066	4.0
135.11711	19.3
137.09653	3.8
137.13254	4.2
143.08560	9.4
144.09349	1.9
145.10139	24.9
147.08061	3.3
147.11697	17.8
149.09689	6.7
149.13275	9.5
151.11244	4.2
151.14842	1.9
155.08546	4.3
157.10141	11.4
159.11708	15.5
161.09660	1.4
161.13248	6.9
163.11192	5.2
163.14833	4.8
165.09204	2.4
169.02617	2.4
169.10193	3.8
171.11688	9.6
173.09746	1.5
173.13261	7.2
175.11252	1.6
175.14841	4.2
177.12712	2.6
179.14275	2.7
181.12288	1.9
183.11671	3.1
185.13359	5.9
187.14870	5.7
189.11247	3.7
189.16391	2.4
191.10614	1.6
191.17836	1.6
195.11844	1.9
195.13812	2.5
197.13287	1.7
199.14767	2.5
201.16388	3.6
203.14355	3.0
203.17979	1.8
205.15939	3.3
207.13857	1.9
211.14857	3.1
213.16409	1.9
215.14529	1.8
219.17505	3.9
223.13399	4.8
227.12820	5.3
227.18037	1.9
229.19577	3.0
236.22043	1.6
239.17995	4.2
241.19554	1.7
245.22531	1.9
257.19159	4.8
263.23743	4.3
264.07626	1.6
273.18521	6.5
275.20084	33.9
291.19543	21.9
293.21152	3.0
335.25848	4.0
337.27383	21.4
339.29126	3.8
349.23785	12.2
351.25351	2.3
459.35168	1.7
465.37305	1.9
517.38922	43.9
518.39478	2.6
529.39001	2.4
531.40210	17.4
537.43164	4.2
543.40704	2.2
555.43939	2.1
557.42084	9.0
611.46777	32.2
629.47809	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	629.2721
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
52.52893	0.6
54.56588	0.6
56.10466	0.7
59.53482	0.7
63.37500	0.6
69.25480	6.3
71.08620	0.9
78.88494	0.8
88.42425	0.7
89.06051	3.1
95.05052	0.7
95.08620	0.8
95.30124	0.7
133.08615	1.2
212.81013	0.7
266.79333	0.7
333.24478	0.7
440.18921	0.7
629.27374	100.0
630.27466	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
57.07074	3.0
67.05515	2.4
69.07072	1.5
71.08617	1.6
71.18356	1.5
79.05499	1.1
81.07066	3.6
82.66187	0.8
85.10192	1.0
85.96364	0.8
89.06042	1.1
91.05495	0.9
93.07034	2.1
95.08612	3.3
105.07034	2.4
107.08618	1.2
109.10159	1.5
119.08595	1.1
121.10155	1.2
145.10138	1.1
181.08665	0.8
274.72247	0.8
317.21011	2.8
324.36087	0.9
373.23596	4.8
629.47534	100.0
630.47717	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10062	2.5
53.03941	6.6
53.34203	1.9
55.01882	14.5
55.05279	2.9
55.05518	34.3
57.03437	11.8
57.07075	9.5
61.87378	2.2
63.17987	1.9
65.03932	5.3
67.05511	90.5
69.03421	4.8
69.06738	3.5
69.07079	45.3
69.26775	15.3
69.27172	4.1
71.05003	5.3
71.08613	4.3
79.05498	55.1
81.03409	6.1
81.07065	100.0
83.04974	9.1
83.08614	20.3
85.10178	3.1
89.06029	2.0
91.05489	51.9
93.07048	59.3
95.01331	5.5
95.04978	22.6
95.08613	64.9
97.06532	23.9
97.10208	10.6
99.08083	3.2
103.05450	2.6
105.04506	3.2
105.07039	49.2
107.04965	14.3
107.08598	28.7
107.48121	2.0
109.06552	15.0
109.10166	24.7
111.04418	3.6
111.08082	5.9
113.00053	2.7
117.07036	14.2
119.08591	33.2
121.06528	4.0
121.10141	20.2
123.08078	7.1
123.11685	11.5
125.09651	4.7
131.08583	19.3
133.08615	4.1
133.10141	27.3
135.08040	6.5
135.11693	16.1
137.09605	3.2
137.13188	2.7
139.11172	2.4
141.06978	2.7
143.08546	6.7
145.10123	18.2
147.08075	4.0
147.11717	14.7
149.09659	10.3
149.13245	9.4
151.11189	4.5
157.10123	3.7
159.11670	12.1
161.09605	4.1
161.13287	9.6
163.11180	7.9
163.14850	3.2
169.10161	2.3
171.11661	2.9
173.13264	5.4
175.14812	3.4
177.12781	3.7
179.14323	6.4
185.13335	2.8
189.16273	2.9
197.13425	2.6
199.14903	2.7
205.12312	2.4
219.17476	3.9
223.13368	7.9
229.19447	2.6
247.20532	2.9
257.19031	5.6
273.18451	6.3
275.20096	54.7
277.21719	2.8
291.19592	15.9
293.21054	7.3
294.15149	2.1
335.25974	3.6
337.27414	28.7
339.29199	4.2
347.22116	2.7
349.23672	13.2
517.38904	23.3
518.39130	2.5
529.39050	3.4
531.40381	9.6
611.38190	1.5
611.46716	39.0
629.38367	2.7
629.47681	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	629.225
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.05492	0.8
57.21445	0.5
58.69789	0.5
67.05492	1.1
72.01020	0.6
79.05474	1.1
81.07014	1.0
91.05440	0.8
95.08604	0.6
98.21615	1.0
107.08567	0.7
109.10113	0.6
119.08539	0.8
145.10114	0.9
153.09328	0.5
155.22058	0.6
227.12749	0.5
258.89059	0.5
396.12354	1.1
397.12991	2.8
398.13705	1.0
399.14694	1.1
400.15253	0.6
409.13135	0.6
410.13980	3.2
411.14575	7.2
412.15530	4.6
413.16199	4.0
414.16699	0.8
423.14600	1.5
424.15854	3.4
425.16333	15.3
426.16888	9.3
427.17542	3.4
428.18759	3.5
429.19177	0.7
437.16669	0.8
438.12363	3.7
438.18100	1.0
439.13602	18.3
440.19183	7.2
441.19351	38.0
442.19568	2.1
452.14490	4.2
453.15417	22.0
454.15878	5.2
455.21204	0.8
456.17993	1.7
463.14218	0.9
465.15619	1.0
467.17245	26.9
468.17957	19.1
469.18942	9.4
471.16278	0.9
472.17331	0.9
480.17310	0.9
481.14810	10.5
482.15219	1.3
484.22012	3.5
485.18616	2.3
494.18295	0.8
495.16647	1.7
495.20667	0.6
496.17261	9.1
497.18005	1.8
498.19345	1.4
499.19763	1.3
500.20874	4.5
509.18503	1.5
512.21051	3.1
513.21863	5.6
514.21460	0.9
523.20239	1.3
525.21783	0.7
526.18500	0.7
528.19806	1.2
541.20905	43.7
542.21417	2.9
543.22784	0.6
551.18982	1.1
553.20886	1.0
569.20392	100.0
570.20599	6.1
572.18951	0.9
573.23425	2.6
597.19818	29.3
598.20282	2.1
600.22260	1.7
601.23059	11.9
602.22455	0.7
611.21381	0.8
629.22437	65.5
630.22681	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	628.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01852	0.2
55.82347	0.2
65.03953	0.2
69.95296	0.3
69.95707	0.6
70.06211	0.2
70.06592	3.7
72.08151	0.2
74.06120	0.2
75.08864	0.2
77.03890	0.2
79.01847	0.4
85.02909	0.2
88.80507	0.2
91.05481	3.7
93.07044	4.1
94.75869	0.2
95.04955	0.7
98.21441	0.3
103.05470	2.3
105.04510	0.3
113.65504	0.3
119.04932	0.5
121.06506	100.0
121.27287	0.2
122.06863	1.0
138.05249	0.2
138.09119	0.4
139.03870	0.5
141.10263	0.3
142.39363	0.2
143.03410	0.6
146.38025	0.2
147.04424	1.4
153.01831	18.2
153.02881	1.0
154.02084	0.2
155.22960	0.2
157.09743	0.6
163.03947	0.2
165.05473	9.6
166.05901	0.3
169.13354	0.7
185.09215	0.8
197.12790	0.4
202.59204	0.2
222.47705	0.2
238.11867	0.2
254.05986	0.2
256.12875	0.2
272.15994	1.1
273.07590	13.3
290.10223	28.3
291.10452	0.6
308.11111	1.1
357.17584	1.0
513.38055	0.2
599.68774	0.2
628.32678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85908	0.9
53.03951	1.1
55.01874	1.8
55.05513	8.8
56.05853	1.4
57.03431	2.6
57.07077	100.0
59.04716	1.9
59.05000	33.3
67.05510	10.8
68.05831	2.1
69.07072	6.7
71.01455	1.9
71.05004	1.3
71.08633	72.4
78.34742	0.9
79.05151	0.9
79.05502	11.6
80.05812	2.9
81.07054	13.4
82.07384	2.8
83.04967	1.2
83.08626	4.9
85.06550	1.3
85.10186	57.8
87.04446	4.0
89.06036	51.8
91.05499	10.5
92.05787	1.7
93.07047	11.2
94.07359	1.6
95.05007	1.2
95.08612	11.3
96.08953	1.7
97.06539	2.5
97.10155	4.6
99.08105	1.6
99.11734	12.8
101.09633	3.4
105.07040	7.1
106.07381	1.8
107.04956	1.4
107.08604	6.6
108.08924	1.5
109.06519	1.9
109.10149	2.9
110.10528	1.4
111.11700	1.1
113.13292	4.3
117.07019	2.5
117.09144	10.1
119.08595	7.7
120.08945	1.8
121.10139	4.3
122.10500	1.1
123.11731	2.2
129.06946	1.5
131.07033	1.7
131.08569	5.2
132.08875	1.2
133.08603	30.5
133.10126	4.0
134.10455	1.9
135.11703	1.9
143.08479	1.1
145.10083	3.7
147.10101	1.1
147.11713	3.0
149.09563	2.1
149.13222	1.2
149.78810	1.3
155.17979	8.5
159.11749	2.5
169.10153	1.3
171.11658	2.3
173.13234	3.0
177.11226	14.7
183.11653	1.4
185.13226	1.2
210.13280	1.1
213.16348	1.4
213.22148	16.0
235.29707	0.9
250.93723	0.9
265.16431	1.5
271.26334	13.4
275.19980	3.1
276.20392	3.1
277.21732	1.3
283.17426	8.7
335.25528	1.5
336.26187	2.0
341.21680	3.5
349.23401	1.1
415.25211	4.0
536.41425	1.4
568.26105	1.3
610.45459	7.2
628.29065	5.1
628.46460	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	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.6
53.03940	7.0
54.61683	1.9
55.01876	13.2
55.05269	2.7
55.05515	41.6
55.84906	1.6
57.03418	5.2
57.07065	5.2
65.03934	6.8
67.05508	100.0
67.99930	1.6
69.03423	8.3
69.07073	49.1
71.04994	4.9
71.08621	6.6
71.51971	3.9
73.02905	2.4
73.19527	1.8
79.05499	64.2
81.03418	6.4
81.07063	99.6
83.04990	8.6
83.08630	15.7
84.41049	1.5
85.00632	1.7
85.06541	3.8
87.36491	2.1
91.04912	2.4
91.05487	56.5
93.07054	62.1
95.01333	3.8
95.04982	16.6
95.08618	68.7
97.02928	11.6
97.03497	2.3
97.06550	24.1
97.10173	11.2
99.08109	5.1
103.05487	2.7
105.04536	2.3
105.07038	46.0
107.04956	15.0
107.08594	32.8
109.06512	8.8
109.10166	26.7
109.47060	1.9
111.08092	5.5
111.85707	1.8
115.05428	2.3
117.07009	13.6
119.08601	29.7
121.06488	4.0
121.10149	17.8
123.04408	2.1
123.08062	4.4
123.11736	8.8
125.09665	11.5
129.07031	4.9
131.08557	18.3
133.06476	2.8
133.10136	29.6
135.08070	5.5
135.11684	10.7
137.06049	2.6
137.09604	4.4
137.13269	4.7
139.11105	2.2
143.08597	6.3
145.10129	16.1
147.08072	6.2
147.11684	15.1
149.09604	5.8
149.13268	8.1
151.11157	4.1
155.08571	2.8
157.10126	5.5
159.11690	11.2
161.09601	4.7
161.13255	5.7
162.53915	1.8
163.11256	3.3
163.14828	2.1
165.09113	4.0
171.11664	2.5
173.13246	4.4
175.14867	3.3
177.12788	6.2
177.16312	1.7
179.14336	6.6
183.11705	3.6
185.13477	2.0
189.11208	4.7
205.12286	2.6
211.14835	2.0
223.13283	14.0
227.12822	2.0
239.18045	2.1
257.19025	3.8
263.19977	2.3
263.23779	2.8
273.18521	14.6
275.20135	31.5
291.19559	95.6
292.19806	2.0
293.21130	12.7
307.84848	1.9
335.25793	22.4
337.27505	3.4
347.22141	2.7
349.23846	8.1
365.23151	2.9
529.38159	1.8
609.45154	22.8
627.46179	82.0
628.46790	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	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.7
54.31901	1.9
55.01878	24.2
55.05277	2.9
55.05519	44.2
55.06962	1.9
57.03447	11.6
57.07069	6.1
63.25941	2.1
65.03929	4.0
67.05508	100.0
68.98554	2.1
69.03413	3.1
69.06731	3.5
69.07077	42.4
69.16014	22.1
71.04992	5.6
72.97322	2.2
79.05497	78.1
81.03401	3.8
81.07059	84.3
83.04977	7.8
83.08623	21.8
85.06559	5.0
91.05485	62.6
93.06483	4.2
93.07050	78.4
93.07639	4.2
95.04972	9.5
95.08607	63.7
97.06538	30.9
97.10146	15.6
99.08121	2.5
103.05439	3.3
105.07035	57.3
107.04970	15.0
107.08600	56.2
109.06509	5.0
109.09462	3.5
109.10156	32.3
111.08086	5.2
111.11861	2.3
115.05429	4.4
117.07024	23.2
119.07791	4.0
119.08584	39.0
121.06525	4.7
121.10154	29.0
123.08080	5.1
123.11730	11.5
125.08821	2.4
125.09634	15.5
128.06203	4.1
129.06995	10.7
130.07837	2.1
131.08577	36.3
133.10138	37.8
133.67792	2.4
135.08025	5.8
135.11691	17.8
137.09668	3.5
137.13289	3.0
142.07758	3.4
143.08534	12.6
145.10135	34.2
147.11693	23.6
147.54053	2.1
149.09621	26.8
149.13232	7.8
151.11139	2.9
155.08516	5.9
157.10112	15.2
159.11678	27.0
161.13268	14.4
163.11208	11.9
165.12746	3.5
169.10136	8.1
171.11697	15.5
173.13252	14.1
175.11243	2.2
175.14824	5.6
177.16347	2.2
179.14345	3.1
183.11661	10.0
185.13315	10.7
187.11174	2.4
187.14832	8.5
189.11194	4.1
189.16306	2.5
195.11760	3.7
197.13242	7.4
199.14853	7.1
201.16388	5.8
209.13177	2.5
211.14813	4.5
213.16382	3.6
215.14323	2.5
223.14885	3.2
227.12833	11.2
229.19638	3.6
239.17952	5.4
241.19579	3.2
247.20647	4.4
248.11574	2.2
257.18958	12.4
259.20557	6.6
261.22122	11.2
275.20078	75.3
277.21597	3.7
293.21182	9.6
333.24146	3.8
335.25848	52.3
349.23779	26.8
351.25516	2.6
367.29669	2.9
431.31735	3.5
441.33456	3.5
515.37256	9.3
517.40125	6.7
529.38910	3.5
535.41266	7.5
553.42468	3.2
591.42902	2.9
609.45154	60.3
627.46167	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	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.9
55.01867	8.7
55.05513	33.2
57.03441	10.4
57.07071	7.9
58.06590	1.8
58.34362	1.8
59.05008	3.5
60.31448	1.8
65.03931	5.9
67.05505	83.1
68.95078	2.1
69.03428	6.4
69.07069	29.1
70.66126	1.6
70.76161	3.8
70.76498	1.8
71.04982	2.8
71.08630	5.8
77.03893	2.0
79.05010	2.4
79.05492	73.1
81.03419	12.2
81.07056	100.0
82.07396	2.5
83.04969	9.2
83.08623	23.9
85.06543	4.9
85.10166	4.6
91.05479	58.1
93.07043	69.2
94.07388	1.8
95.04972	16.1
95.08607	54.4
97.02937	2.4
97.06544	8.9
97.10175	9.1
99.08083	4.3
105.04552	2.6
105.06315	2.2
105.07030	44.8
107.04967	12.3
107.08596	36.5
109.06510	14.6
109.10158	23.8
111.08089	7.9
113.00001	1.9
113.06029	7.5
117.07004	16.2
119.08577	32.0
119.10509	1.6
119.11375	1.8
121.06476	4.0
121.10147	25.1
123.08091	5.4
123.11709	8.3
125.09644	5.6
128.06293	2.1
129.06990	5.1
131.08565	23.5
133.06477	1.7
133.10123	27.7
135.08044	9.8
135.11676	17.6
137.09602	5.1
137.13191	2.1
141.06963	2.5
143.08568	7.7
145.10117	19.1
147.08084	4.5
147.11679	17.1
149.09584	9.5
149.13297	7.1
151.11192	4.8
155.08597	3.1
157.10190	6.2
159.11691	16.0
161.09619	2.9
161.13280	7.7
163.11194	9.0
163.14844	2.0
165.12752	3.1
169.10196	3.0
171.11702	4.8
173.11905	1.6
173.13275	8.2
175.14885	3.0
177.12709	3.0
179.14339	5.0
181.10164	1.9
183.11719	3.1
185.13257	5.2
187.14873	2.3
195.13766	1.9
197.13350	3.2
201.16411	2.7
213.16399	3.2
217.15810	1.7
219.17461	2.1
227.12868	4.4
233.65315	1.6
239.17979	3.3
247.20386	1.8
253.14394	2.7
255.17165	1.9
257.18973	2.6
261.22235	2.1
273.18527	7.3
275.20087	31.3
277.21677	6.0
291.19617	18.4
292.20010	2.7
293.20972	6.9
333.23880	1.7
335.25815	23.0
337.27478	2.4
349.23770	14.2
480.45584	2.0
515.37048	10.9
529.38776	14.7
609.45239	17.6
627.46082	33.9
627.66010	3.2
657.84546	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36932	0.2
53.03938	0.3
55.01852	0.5
57.03427	0.9
61.02918	0.8
68.99793	0.7
69.03423	2.3
70.06590	0.3
71.04998	1.4
71.50269	0.3
73.02892	0.5
79.56767	0.2
81.03416	1.1
85.02912	7.8
87.04478	0.3
93.03387	0.3
97.02898	2.2
99.04449	0.3
109.02862	1.0
111.00807	0.8
121.02862	0.9
121.06501	0.9
123.04437	0.3
127.03944	1.1
129.05521	0.3
137.02345	3.1
137.03336	0.5
139.03909	0.6
141.04485	0.3
145.04985	0.8
149.02338	0.6
153.01830	4.1
163.03885	0.6
165.01819	2.1
166.02582	0.4
173.06012	0.3
177.05464	0.2
179.03374	0.3
183.02954	0.9
183.04372	0.2
187.03900	0.4
191.03438	0.4
201.05475	1.5
205.04953	0.4
219.06508	0.2
229.04929	3.7
245.04420	0.3
247.06007	0.5
257.04471	2.7
274.04724	0.7
275.05469	0.3
285.03894	1.3
303.05002	100.0
304.05322	1.6
319.04507	6.9
465.10352	6.2
481.09811	0.8
483.84445	0.3
524.87390	0.2
533.86487	0.3
609.21942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	16.8
55.85566	9.0
56.63710	9.8
57.93818	8.2
58.52284	10.0
64.58451	9.8
67.05507	31.6
69.03433	9.2
69.07067	30.1
69.91251	40.9
79.05466	11.1
81.07063	100.0
85.02930	10.1
87.85161	8.5
91.05492	15.7
93.07062	30.2
94.46011	8.1
95.04977	12.5
95.08630	50.6
97.10179	15.6
98.20801	12.3
101.11324	8.6
103.03880	8.8
105.07051	23.9
107.08613	28.0
108.24409	8.7
109.10179	17.1
119.08580	18.9
121.06564	12.6
121.10163	18.2
122.06025	10.7
122.68674	8.1
123.11735	47.1
126.52839	8.3
131.08603	9.9
133.06508	10.2
133.10143	14.2
135.11732	11.1
139.03899	15.7
139.11134	15.1
141.02119	9.7
147.11691	32.4
149.13290	23.3
151.03885	13.2
153.01823	34.8
182.98877	9.0
243.15970	19.1
267.15912	29.2
285.16968	68.2
305.24600	17.1
367.28528	13.7
379.28552	18.1
397.29471	27.2
415.30566	11.5
508.72174	8.6
627.18573	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	627.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03723	3.0
53.03947	14.6
55.01878	33.9
55.05516	38.6
57.03431	9.8
57.07084	3.4
65.03942	7.9
67.05510	88.1
69.03442	2.9
69.07072	44.5
70.37946	2.0
70.76275	5.1
70.76611	3.1
71.04985	4.3
71.08632	2.6
79.05495	67.1
81.03426	7.3
81.07061	89.0
83.04987	10.4
83.08621	15.3
91.05492	80.5
91.05916	1.5
92.65326	2.3
93.07054	56.8
95.01328	9.7
95.04964	16.2
95.08614	58.0
97.02908	2.1
97.06538	46.2
97.10187	5.8
98.21516	2.5
103.05518	3.0
105.04518	4.2
105.07039	83.5
107.04958	22.2
107.08599	30.6
109.06515	9.1
109.10168	19.2
111.04436	3.0
111.08054	3.5
117.07033	16.7
119.08599	48.1
121.06511	4.8
121.10139	21.6
123.08077	3.6
123.11732	6.7
125.09650	3.2
129.07033	6.4
131.08580	26.8
133.06471	3.1
133.10143	49.5
135.11688	13.6
137.09608	4.0
139.07422	2.1
141.07018	2.6
143.08566	6.8
145.10141	24.3
147.08072	2.8
147.11691	20.5
149.09592	12.2
149.13263	9.8
155.08591	4.3
157.10159	2.9
159.11679	13.0
161.13313	6.9
163.11201	6.8
165.09157	2.6
168.78052	2.6
169.10112	4.2
171.11684	5.0
173.13274	7.3
177.12682	3.7
179.14342	16.8
183.11719	3.5
187.11243	4.4
205.12302	2.2
219.17480	7.3
223.13295	2.4
229.19678	3.2
238.59337	2.2
239.17694	2.5
247.20670	5.1
257.19116	6.3
261.22272	5.9
273.18588	3.2
275.20074	100.0
291.19559	6.1
293.18268	2.5
293.21017	12.2
335.25790	65.5
349.23776	24.7
529.39374	2.9
609.45221	65.2
627.46002	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1557
Annotation	Myricetin 3-neohesperidoside
Peak:m/z	Relative Intensity
53.03934	0.9
57.03448	2.9
57.87672	0.7
61.02930	3.5
67.01853	0.6
68.99791	1.5
69.03419	1.1
70.06586	0.7
70.50401	1.7
70.50756	0.8
71.05002	23.5
73.02892	1.7
81.03405	1.2
85.02911	31.5
85.42655	0.5
90.19619	0.5
91.03930	1.7
93.07023	0.8
95.01331	1.4
97.02905	2.7
109.02872	1.7
111.00795	2.4
111.04456	0.9
113.02371	1.4
121.02817	0.6
121.06515	11.0
122.06824	1.7
125.02352	2.1
127.03913	1.5
129.05504	5.2
137.02336	4.3
139.03918	1.0
141.01878	2.7
145.04967	0.7
147.06508	1.2
153.01837	12.3
163.03889	0.7
165.01863	5.6
173.05959	1.2
176.40796	0.6
179.03403	1.7
183.02931	1.7
187.02394	0.9
200.87602	0.7
201.05424	1.1
215.07025	1.4
217.04953	2.2
229.05058	3.6
245.04416	4.1
247.05933	0.8
257.04520	2.3
273.03973	3.8
285.04080	1.0
290.04272	1.2
290.10187	0.9
301.03339	0.9
303.05017	84.9
304.05310	1.0
306.09766	0.9
307.08154	3.2
319.04507	100.0
320.04865	1.5
324.10794	7.6
331.04599	0.7
361.05542	0.8
465.10291	7.7
481.09857	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	627.1562
Annotation	Myricetin 3-neohesperidoside
Peak:m/z	Relative Intensity
53.66732	0.5
57.03427	2.3
60.04513	1.6
68.99796	0.8
69.03423	1.2
70.06599	0.7
71.05001	12.8
73.02925	0.7
74.73431	0.6
75.04495	0.6
81.03408	0.5
81.07076	0.5
85.02912	15.7
87.04508	0.5
97.02888	1.7
99.04458	0.6
105.07007	0.5
109.02867	1.3
111.00790	2.1
121.06496	0.7
127.03908	1.3
129.05463	3.7
137.02318	1.1
139.03920	1.3
147.06567	0.6
153.01848	10.5
165.01837	2.7
166.02589	0.8
178.28577	0.5
179.03419	1.5
183.02803	0.6
195.02979	0.7
201.82968	0.6
217.04958	3.0
235.17694	0.5
245.04417	4.5
255.03087	0.8
263.05331	0.7
273.03955	3.8
290.04184	1.1
301.03439	1.9
303.05054	0.7
319.04507	100.0
320.04865	1.1
329.03061	0.8
343.04489	1.9
361.05554	2.3
385.05408	1.3
447.09250	1.2
465.10281	1.3
481.09857	21.9
481.16684	1.3
569.81274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1561
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
53.03944	0.7
57.03431	2.3
57.99345	0.5
61.02926	1.0
68.99786	1.3
69.03429	1.2
69.46675	1.1
69.47060	3.8
70.06597	0.7
71.05000	10.6
72.08165	0.7
73.02923	0.9
81.03405	1.0
83.04973	0.6
84.08136	0.5
85.02912	16.8
97.02877	1.9
98.21480	1.0
109.02878	1.2
109.28432	0.6
111.00804	1.4
121.06516	0.7
127.03916	1.6
129.05495	3.0
137.02312	2.0
137.05928	0.6
139.03909	0.8
139.68297	0.5
145.04964	1.4
147.06532	0.7
153.01826	9.8
153.03006	0.7
161.21465	0.5
163.03981	0.6
165.01868	2.3
166.02522	0.5
171.61343	0.5
177.05565	0.7
179.03369	1.1
183.02925	0.6
195.02878	0.8
217.04892	2.5
229.05109	0.5
230.14543	0.6
245.04379	3.7
273.03961	4.3
290.04242	1.0
301.03430	1.2
303.05014	13.1
319.04504	100.0
320.04858	2.0
465.10214	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.5
53.03946	6.5
55.01878	13.0
55.05516	41.4
57.03431	8.0
57.07078	3.5
59.05001	2.2
65.03933	5.2
67.05509	74.5
69.03429	3.1
69.07072	29.7
69.41695	17.3
70.59030	2.6
71.05002	7.2
79.05499	56.4
81.03423	4.9
81.07063	72.2
83.04990	8.0
83.08627	24.4
85.06554	6.2
91.05484	46.2
93.07051	43.3
95.04970	8.4
95.08611	45.1
95.29180	1.9
97.06532	11.0
97.10162	12.5
98.20821	5.1
99.04449	2.9
104.16457	2.6
105.06386	4.7
105.07037	48.1
107.04967	9.0
107.08594	29.7
109.02853	2.4
109.06527	7.8
109.10160	23.2
111.08120	5.5
115.05439	5.2
117.07024	26.1
119.08601	37.7
121.06519	5.4
121.10155	20.9
123.08067	6.4
123.11698	12.7
125.09637	12.2
128.06256	4.7
129.06999	22.8
130.07767	2.8
131.08577	36.0
133.06557	3.1
133.10144	25.2
135.08043	5.6
135.11700	13.7
136.56589	2.1
137.09659	2.9
139.11205	3.4
141.06996	10.2
142.07817	4.5
143.08578	26.9
144.09378	2.9
145.06454	3.7
145.10135	34.9
147.08051	3.4
147.11682	16.3
149.09663	6.7
149.13278	9.1
150.93764	2.3
153.01776	2.2
155.08513	14.2
156.09276	2.7
157.10141	22.9
159.08104	3.2
159.11676	22.6
159.93599	2.4
161.09714	4.0
161.13303	10.9
161.63254	2.3
163.11223	6.1
167.08626	6.5
168.09346	3.5
169.10165	19.4
171.08131	2.9
171.11710	19.1
173.13260	15.2
175.11189	3.3
175.14841	5.2
177.12781	3.7
179.08618	2.7
179.60547	2.3
181.10139	13.3
183.11699	21.8
185.13280	12.7
187.13329	3.5
187.14883	5.3
189.11270	3.5
193.10283	2.8
193.12219	3.4
195.11757	9.9
197.13295	14.0
199.14883	10.9
201.16428	3.3
207.11755	4.9
209.13327	6.8
211.14961	7.7
213.16374	5.8
215.18022	4.0
221.13370	2.5
223.14893	6.4
225.16370	5.7
227.12837	5.9
229.14349	5.5
235.14833	3.2
237.16470	4.9
239.18036	6.2
241.19644	6.9
243.15811	3.9
249.16551	3.1
251.17950	5.0
257.19086	3.3
259.20633	7.8
269.17636	3.4
273.18585	3.9
275.20261	16.0
323.23892	3.6
333.24362	6.4
339.23190	5.0
344.46085	2.5
349.24057	7.8
365.24338	2.7
365.28448	7.4
381.31866	3.2
389.27612	3.2
421.30997	5.4
439.32172	4.2
445.29669	10.7
463.30753	4.4
513.35675	16.3
515.38605	9.7
527.37482	9.4
533.39740	15.8
551.41113	9.7
589.42798	5.4
607.43695	49.1
608.43689	3.3
625.33209	7.9
625.44629	100.0
626.45270	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	625.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20273	1.5
52.04681	1.5
53.03946	8.0
55.01875	13.4
55.05513	40.6
57.03444	8.4
57.07074	4.9
63.20667	1.8
65.03948	5.3
67.05508	71.9
69.03437	5.0
69.07073	34.9
71.05000	6.2
79.05499	49.2
79.05966	2.4
81.03420	5.7
81.07063	74.0
83.04990	6.9
83.08622	24.5
85.02921	1.9
85.06555	4.5
91.05489	59.7
93.07050	51.7
95.04977	7.0
95.08614	51.1
97.06535	11.9
97.10184	11.3
98.21112	9.3
99.08060	2.0
103.05491	2.8
105.04551	2.5
105.07036	54.7
107.04964	5.5
107.08606	34.9
108.85287	1.7
109.06540	4.3
109.10153	25.1
111.08096	5.9
115.05468	3.8
116.06262	2.2
117.07024	22.6
119.08582	39.1
121.06518	4.6
121.10155	19.1
123.08110	4.3
123.11754	8.0
125.09644	10.3
127.34243	1.7
128.06241	7.3
129.05492	1.8
129.07018	25.6
130.07799	4.8
131.08575	39.7
133.06531	3.4
133.10135	27.8
135.08093	7.2
135.11696	11.0
137.09666	2.8
139.11229	2.1
141.06996	11.2
142.07782	6.0
143.08574	26.1
145.06500	2.0
145.10141	36.1
145.11301	2.2
147.08105	3.5
147.11713	20.4
149.09653	5.9
149.13301	6.0
151.11234	2.3
153.07051	2.2
155.08528	18.8
155.10539	1.9
157.10138	24.9
159.08098	2.9
159.11700	21.3
161.09685	3.1
161.13261	9.0
163.11188	3.6
165.06931	3.3
165.12891	2.1
166.07774	2.3
167.08540	8.6
167.10637	2.3
168.09383	3.1
169.10141	17.7
170.10892	1.8
171.08167	2.3
171.11673	21.2
173.09636	3.1
173.13258	14.0
175.11243	2.7
175.14818	3.8
179.08606	4.0
179.14320	3.0
181.10101	11.2
182.11003	2.9
183.11690	18.6
185.09615	2.9
185.13257	14.5
187.14873	6.3
189.11241	3.4
193.10168	3.0
195.11658	10.4
196.64621	1.9
197.13263	13.6
198.14120	1.8
199.11287	2.0
199.14897	10.0
201.12691	2.3
201.16420	3.1
207.11778	7.0
208.12489	2.5
209.13284	8.8
209.15070	2.0
211.11232	1.8
211.14854	12.5
213.16539	4.8
219.11803	2.9
221.13303	5.2
223.14934	5.8
225.12886	2.5
225.16469	7.5
227.12747	4.3
227.18013	4.9
233.19170	2.1
235.14859	4.6
237.16432	4.2
239.17995	5.1
241.19540	4.5
247.14813	1.8
249.16537	3.4
251.18076	2.3
253.19466	2.4
257.18994	4.0
259.20660	7.3
273.18570	4.4
275.20111	13.2
283.20425	2.2
291.19675	2.3
293.21329	2.5
295.20468	2.7
297.22162	2.7
315.23285	4.3
323.23584	2.3
329.24805	2.9
333.24417	4.0
341.24731	2.3
349.23892	6.1
353.24628	3.8
365.28583	5.9
367.25848	3.1
371.25882	4.6
381.31775	3.2
389.27271	2.6
421.31018	5.7
435.32535	2.2
445.29550	16.4
463.30511	8.8
495.34763	3.9
513.35620	21.6
515.38464	10.6
527.37677	4.3
533.39758	12.2
551.41064	11.1
607.43622	49.8
625.44678	100.0
626.44922	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20910	1.2
52.87776	1.2
53.03948	4.5
55.01880	10.8
55.05512	30.4
57.03436	6.3
57.07064	4.8
59.05004	1.7
63.09190	1.2
65.03934	2.9
66.83295	1.3
67.05505	53.4
68.77534	1.3
69.03428	3.0
69.07070	25.1
70.75976	2.9
70.76344	2.0
71.04993	5.6
79.05494	46.1
80.05853	1.4
80.17404	1.2
81.07056	53.7
83.04996	6.4
83.08616	15.8
85.06550	3.8
91.05482	39.7
93.07048	36.2
95.04980	5.5
95.08611	36.9
97.06541	14.2
97.10168	10.1
99.08099	1.9
103.05453	1.9
105.04533	1.4
105.07034	35.1
107.04955	5.6
107.08604	25.0
109.06546	5.1
109.10160	19.2
111.08100	4.6
115.05486	2.8
117.07020	18.7
119.08577	30.0
119.09362	2.0
121.10155	13.7
123.08085	3.3
123.11691	7.8
124.51922	1.2
125.09635	7.6
128.06227	6.4
129.06999	17.4
130.07805	2.0
131.08574	30.4
133.10138	23.0
135.08063	4.4
135.11687	9.8
137.09625	2.6
139.11206	1.8
141.06949	7.2
142.07797	6.5
143.08569	25.9
144.83365	1.4
145.10124	24.2
147.07994	1.8
147.11705	14.8
149.09593	6.4
149.13315	5.3
151.11140	1.6
153.06969	1.6
154.07854	2.5
155.08563	15.5
156.09401	3.1
157.10143	18.0
159.08063	1.8
159.11690	17.9
161.13304	8.3
161.14467	1.4
163.11166	4.5
167.08614	6.2
168.09363	3.1
169.10132	18.7
171.11685	17.3
173.11897	2.3
173.13234	11.2
175.14821	3.1
177.12772	1.8
179.08583	3.0
179.14206	1.7
180.09413	1.7
181.10191	7.2
182.10899	1.8
183.11711	20.2
184.12375	1.3
185.09726	2.3
185.13283	15.8
187.11194	3.2
187.13347	3.0
187.14774	7.1
189.11246	3.3
193.10207	3.7
195.11713	11.2
197.09694	2.1
197.13321	14.4
199.11163	1.9
199.14853	10.1
201.16393	3.4
207.11818	3.1
209.13229	7.9
211.14818	8.1
213.16489	4.8
217.16031	1.6
221.13370	4.5
223.14844	7.4
225.16383	7.8
227.12872	4.7
227.18047	3.1
235.14919	3.8
237.16434	3.4
239.18042	3.8
241.19612	5.9
241.99452	1.3
243.15923	3.5
251.18118	3.8
253.19571	2.2
257.19070	3.9
259.20642	6.1
264.18552	1.5
271.17261	1.8
275.20078	8.6
279.21066	1.5
281.19095	1.7
281.22372	1.6
297.22107	3.6
299.23798	1.8
309.21832	1.7
313.21771	1.6
323.23663	1.5
327.23349	1.7
327.36313	1.4
333.24179	3.5
335.23770	1.5
347.23053	1.5
349.23984	5.9
363.26614	2.3
365.28580	5.2
383.29514	2.9
403.30240	1.7
421.31152	6.1
439.32248	3.0
495.34567	3.8
513.35822	18.9
515.38940	9.9
527.37469	3.0
533.40039	11.2
539.01007	1.5
551.41071	5.4
555.36823	1.5
589.42633	3.0
597.44910	2.2
607.43640	44.3
625.44641	100.0
626.45062	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	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.4
55.01876	26.5
55.05515	34.6
57.03448	12.1
57.07082	5.5
65.03934	7.1
67.05186	4.0
67.05512	61.7
69.03452	3.9
69.07076	57.6
69.16858	25.8
71.05000	3.4
79.05505	55.5
81.03453	6.0
81.07066	73.5
83.04999	8.9
83.08615	15.7
85.06551	5.3
91.05490	57.5
93.07049	47.7
94.77370	2.5
95.04986	11.1
95.08617	46.9
97.06543	35.4
97.10179	4.4
97.17696	2.2
99.08096	3.8
103.05399	2.3
105.07045	58.5
107.04957	14.5
107.08590	30.9
109.06530	7.7
109.10175	16.8
115.05513	3.8
117.07025	22.7
119.08593	51.5
121.06542	2.8
121.10155	20.6
123.08105	5.8
123.11740	4.1
125.09633	5.9
128.06255	3.8
129.07028	23.3
131.08580	40.7
133.06529	3.6
133.10147	30.1
135.08105	4.3
135.11717	13.6
137.09613	4.1
139.11153	2.8
141.07007	10.8
142.07806	3.3
143.08580	22.5
145.10158	38.6
147.08086	3.5
147.11693	26.7
149.09641	8.4
149.13266	7.5
155.08589	16.7
157.06630	2.9
157.10152	26.6
159.11722	30.1
161.09682	3.9
161.13336	13.7
163.11211	8.8
163.14839	4.2
167.08585	9.7
169.10124	19.7
171.10291	4.8
171.11685	26.0
173.09715	3.5
173.13289	21.2
175.14844	8.8
177.12756	5.1
179.14430	7.0
181.10190	8.7
182.10901	3.1
183.11736	14.6
185.09827	3.0
185.13293	19.2
187.11263	3.0
187.14810	7.1
189.12837	3.4
193.10176	3.0
195.11728	9.1
197.13287	10.0
199.11150	3.7
199.14873	9.6
201.12706	2.7
201.16476	3.8
203.14284	3.1
207.11717	3.7
209.13254	9.1
211.14867	7.5
213.16400	6.3
221.13394	4.8
223.14847	8.6
225.16455	3.3
227.18050	2.7
231.17642	2.3
231.21040	3.4
235.14923	4.2
237.16455	5.4
239.18044	3.6
241.19585	12.7
245.19032	3.0
257.19055	8.6
259.20697	13.7
273.18466	7.0
275.20169	33.6
277.21838	2.5
297.22311	2.6
299.23447	3.4
311.20145	3.0
311.23438	2.7
315.23203	4.7
333.24374	18.7
339.23187	3.4
349.23721	19.3
375.26297	3.0
419.33264	3.9
421.31281	4.1
435.32483	7.3
437.34198	13.7
455.35254	3.3
495.35184	3.2
508.12811	3.2
509.36429	2.9
511.37598	7.1
513.35876	10.5
515.38898	7.5
527.37231	5.3
529.39014	4.6
533.40253	13.1
551.41077	9.9
555.36469	5.7
556.37927	3.5
589.43103	2.9
607.43622	58.7
625.44562	100.0
626.44495	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28465	1.3
51.02371	1.7
53.03948	10.3
53.49488	1.1
54.04226	1.3
55.01873	13.8
55.05513	38.9
57.03443	6.5
57.07075	2.8
59.04993	1.4
63.22652	1.1
65.03943	8.0
67.05508	85.2
69.03420	8.0
69.07070	55.9
69.97019	1.2
70.16931	1.3
70.76688	3.3
71.04994	4.2
75.47945	1.3
77.03955	1.8
77.22907	1.3
79.05497	81.9
81.03434	6.3
81.07058	74.6
83.04991	11.4
83.08612	12.0
85.06551	3.8
91.05485	56.8
93.07044	68.5
94.04179	1.2
95.01338	2.5
95.04973	42.3
95.08610	47.1
97.02908	5.8
97.06540	13.4
97.10175	9.1
99.08060	2.2
105.04518	3.7
105.07034	40.5
107.04946	15.3
107.08600	32.9
109.06515	17.4
109.10158	16.4
111.08095	4.0
115.05473	3.6
117.07028	18.9
119.08578	29.7
119.09354	2.1
121.06538	5.0
121.10151	21.9
123.04475	1.3
123.08104	5.2
123.11732	3.2
125.09631	7.7
128.06256	4.3
129.07008	10.3
130.07767	1.9
131.08577	32.6
133.06511	5.9
133.10144	21.6
133.11095	1.8
135.08054	9.8
135.11703	16.7
137.09654	3.6
141.07002	3.5
142.07791	1.8
143.08572	11.8
145.06461	1.9
145.10129	21.5
147.08018	7.0
147.11684	14.5
149.09599	6.2
149.13268	9.9
151.11229	2.0
153.09100	2.1
153.12550	1.2
155.08578	6.0
157.10110	10.7
158.04581	1.2
159.08101	1.7
159.11685	13.9
161.09645	5.7
161.13223	6.2
163.11217	4.0
163.14857	2.0
167.08553	1.8
169.10130	6.1
171.10367	1.9
171.11687	9.4
173.09764	1.3
173.13268	8.6
175.11186	4.7
175.14828	2.3
177.12798	3.8
179.14340	1.9
181.10092	2.2
183.11699	6.0
185.13220	8.2
187.11214	3.2
187.14867	5.0
189.11284	3.1
195.11769	3.4
195.13704	1.4
197.13271	3.2
199.14854	4.7
203.14381	1.7
205.12241	2.4
207.11787	1.6
209.13278	3.7
211.14964	3.5
221.13284	1.4
223.13199	9.9
225.16478	3.1
227.12743	1.7
227.18016	1.9
237.16537	2.9
239.17880	1.4
241.19614	3.9
245.19101	2.5
249.15019	2.4
255.17473	2.4
257.19077	2.5
259.20667	5.8
261.22165	3.0
273.18503	38.4
275.20071	7.2
291.19543	100.0
333.24347	3.9
335.25812	11.7
347.22061	10.5
349.23972	5.1
355.26559	1.9
365.23694	2.6
437.34106	2.4
441.03030	1.5
453.33173	1.5
474.24902	1.2
511.37219	2.3
513.35590	2.2
515.38739	2.2
527.37317	2.2
533.40314	2.9
537.74976	1.3
551.41058	2.5
597.45166	1.5
607.43640	18.7
625.29535	10.3
625.44617	83.4
626.45459	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	0.7
51.02361	1.1
53.03951	5.8
55.01881	6.6
55.05516	17.0
55.05759	0.9
57.03440	17.8
57.07039	2.5
57.07299	0.7
59.15683	0.5
65.03943	4.9
66.04671	0.6
67.05507	58.7
69.03396	2.7
69.07070	14.9
69.07423	0.6
70.90784	1.4
70.91272	0.8
71.04955	2.8
71.08616	0.6
77.03883	1.1
77.39108	0.7
79.05496	54.2
81.03436	3.6
81.07061	48.9
83.04987	4.7
83.08618	7.3
85.06554	13.2
91.05487	39.2
93.07050	44.5
95.01321	0.8
95.04976	37.0
95.08614	24.7
97.02848	1.9
97.06529	5.5
97.10160	3.9
99.04440	0.9
99.08073	1.2
103.05444	1.7
105.04480	1.9
105.07036	25.3
107.04965	8.5
107.07902	1.3
107.08598	23.0
109.06522	53.0
109.09489	0.8
109.10162	10.5
111.04418	1.4
111.08053	2.4
113.06009	32.6
115.05405	1.9
116.06154	0.8
116.98786	0.6
117.06245	1.0
117.07022	14.3
119.08596	18.6
121.06525	5.1
121.09348	1.0
121.10149	14.0
123.08102	3.7
123.11668	2.3
125.09607	2.4
128.06200	1.6
129.07028	7.6
130.07782	0.8
131.08582	18.4
133.06464	2.0
133.10147	11.7
135.08063	34.0
135.11700	9.0
137.05988	0.8
137.09564	2.1
141.06953	1.7
142.07761	1.3
143.08562	7.1
144.09351	0.8
145.06517	1.6
145.10135	12.3
147.08054	5.9
147.11702	5.9
149.08513	1.0
149.09610	5.8
149.13255	4.3
151.07478	0.7
151.11092	0.9
155.08514	1.7
157.10150	7.6
159.08054	3.6
159.11697	8.9
161.09604	8.0
161.13300	3.7
163.11174	2.7
163.14734	0.8
165.09108	1.8
169.10159	1.3
171.11702	4.3
173.09575	1.2
173.13261	4.4
175.11159	2.8
175.14793	1.6
177.12784	3.0
179.14278	1.6
181.10132	1.8
183.11629	3.3
185.09602	1.0
185.13260	2.5
187.11079	1.6
187.14839	1.3
189.12732	1.1
189.16356	0.9
195.11679	1.4
195.13831	1.8
197.13284	1.1
199.11221	1.9
199.14798	3.8
201.12750	2.3
201.16406	0.7
203.14268	0.9
205.12093	1.1
211.14743	0.8
213.16400	0.7
217.15884	15.4
219.13742	1.3
219.17467	0.8
223.13229	3.2
225.16463	0.8
227.17926	2.6
233.15359	1.4
237.16498	1.3
245.19086	2.7
255.17451	3.6
257.18948	0.7
259.20621	1.3
260.64035	0.7
261.22153	1.4
273.18509	34.5
275.20126	2.1
279.15891	0.7
291.19553	100.0
292.19873	2.0
309.20496	2.1
329.21417	0.8
333.24225	1.1
335.25919	7.0
336.71860	0.7
347.22272	4.9
356.80005	0.6
365.23337	1.6
533.40076	1.8
607.43420	3.4
625.44678	44.9
626.44812	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
54.52808	1.2
55.01874	35.0
55.05269	2.5
55.05511	29.1
56.45720	1.4
57.03442	10.2
57.07058	4.5
65.03938	4.6
66.71103	1.4
67.05506	64.4
67.46801	1.2
69.03426	3.1
69.07069	73.3
70.97481	1.6
70.97827	2.8
71.04982	4.8
71.08624	1.6
77.03905	1.9
79.05495	52.5
81.03406	6.0
81.07056	73.2
83.04967	6.8
83.08624	13.6
85.06538	3.9
91.05482	60.8
93.07045	50.3
93.55698	1.2
95.01333	4.1
95.04984	10.7
95.08611	43.5
97.02882	1.6
97.06530	43.5
97.10165	6.9
99.08069	3.0
103.05498	1.5
104.83744	1.5
105.07034	62.8
107.04957	13.4
107.08599	27.6
109.06522	7.0
109.10161	16.3
111.08102	3.6
113.06014	1.8
115.05463	5.1
117.07021	29.4
119.08582	47.0
121.06524	4.1
121.10141	15.2
123.04478	1.4
123.08069	6.4
123.11729	6.3
125.09637	5.6
128.06224	4.3
129.05559	1.4
129.07011	20.5
130.07848	2.5
131.08569	41.9
133.06537	2.8
133.10135	34.5
135.08057	4.4
135.11678	12.9
137.09630	3.2
139.11194	2.7
141.07008	9.5
142.07817	4.4
143.08551	30.0
144.09319	1.4
145.06506	3.1
145.10126	37.0
147.08006	4.3
147.11691	26.9
149.09625	9.6
149.13239	7.7
153.06995	1.5
155.08534	14.5
156.09306	2.7
157.10133	22.3
159.08073	2.9
159.11693	25.9
161.09642	3.6
161.13264	15.8
163.11165	7.5
163.14816	2.5
165.09074	1.8
165.12709	1.5
167.08618	5.0
168.09474	1.5
169.10114	18.5
170.10889	1.6
171.08089	2.1
171.10298	2.2
171.11678	22.9
173.09587	2.2
173.13264	19.4
175.11208	3.7
175.14867	7.7
177.12720	3.5
179.08540	2.7
179.14343	3.2
181.10098	11.0
183.11697	14.8
185.13258	16.2
187.11209	3.7
187.14861	6.0
189.12732	3.8
193.10280	4.0
194.10892	2.0
195.11697	10.2
197.13248	13.5
199.11285	1.7
199.14825	12.0
201.16385	2.5
203.14299	1.9
207.11742	3.4
209.13231	8.8
211.14857	7.6
213.12717	2.3
213.16338	9.1
213.43533	1.3
215.18007	3.4
217.19473	2.4
221.13287	4.3
223.12999	1.8
223.14899	7.3
225.16455	3.8
227.17896	3.0
229.19576	2.2
231.20952	2.1
235.14848	3.1
237.16391	4.8
239.18060	3.9
241.19513	16.6
243.21092	2.0
247.14908	1.8
247.20802	2.0
251.18015	3.3
257.18979	10.1
259.14157	1.5
259.20572	22.4
263.69696	1.4
265.19522	2.7
267.21133	1.8
273.18524	10.2
275.20087	44.6
277.21680	4.2
279.15900	2.0
283.20581	3.8
291.19736	4.4
293.21243	4.7
296.21432	1.4
297.22272	3.9
311.23764	3.2
313.21732	2.7
313.25095	2.4
315.23221	4.7
321.22397	1.9
325.25366	1.6
327.23254	1.6
331.22549	2.3
333.24374	17.0
335.26160	2.0
349.23666	28.0
353.24823	2.1
355.26532	1.7
375.26849	1.5
381.28101	1.6
395.29562	1.7
417.31882	2.8
419.33304	3.1
421.30988	3.0
435.32632	8.5
437.34149	18.0
455.35477	3.6
463.32092	2.5
475.35678	1.8
493.36572	3.1
495.34625	2.1
499.34741	2.1
501.35886	2.6
505.40448	2.6
509.36261	4.6
511.37729	13.0
513.35840	9.4
515.39050	7.6
527.37738	5.5
529.38824	7.9
533.39911	12.6
537.36212	1.8
551.41272	8.5
555.36890	4.6
556.37555	3.5
589.42151	2.5
594.61456	1.5
597.45123	3.2
607.43573	61.1
608.43451	2.0
625.44617	100.0
626.44495	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.0
52.98903	0.6
53.03946	5.9
55.01876	6.1
55.05515	29.9
55.05766	1.3
57.03400	2.8
57.07037	1.3
59.04973	0.7
65.03947	3.8
67.05508	56.2
67.05845	1.9
69.03432	10.6
69.07072	34.0
69.07426	1.2
71.04948	2.6
73.86765	0.6
77.03884	0.9
79.05495	52.9
81.03412	4.1
81.07060	44.6
83.04974	3.1
83.08636	9.7
85.06515	1.4
91.05482	35.5
93.07047	48.4
95.01324	0.9
95.04976	11.5
95.08610	27.5
97.02320	0.8
97.02892	12.4
97.06528	4.3
97.10178	11.6
98.20706	1.3
103.05418	1.4
105.04471	2.5
105.07035	22.8
107.04981	7.5
107.08601	25.5
109.06538	3.9
109.09497	0.8
109.10158	14.7
111.08054	1.8
115.05417	1.3
117.07026	11.7
119.04963	1.4
119.08588	19.2
121.06476	2.8
121.09351	1.0
121.10150	15.9
123.04404	1.0
123.08075	3.6
123.11741	3.4
125.09615	8.6
127.32735	0.7
128.06186	1.6
129.06969	4.6
130.07776	0.9
131.07635	0.8
131.08575	14.1
133.06441	2.5
133.10132	9.9
134.07185	0.8
135.08020	2.9
135.11702	8.1
137.09581	2.7
137.13206	1.0
139.11076	0.8
141.06964	1.5
142.07785	1.0
143.08574	4.5
145.10129	9.8
147.08069	4.5
147.11716	6.1
149.09575	2.4
149.13284	4.7
151.11163	0.8
153.09038	1.2
153.12714	0.8
155.08517	1.8
157.10130	4.1
159.11700	6.4
161.09618	2.4
161.13269	5.1
163.11195	1.5
163.14827	0.8
165.09081	2.0
166.91556	0.8
168.09273	0.6
169.10127	1.2
171.10213	1.3
171.11667	3.0
172.73323	0.7
173.11896	0.8
173.13171	3.4
175.11131	2.1
175.14818	1.9
177.12776	1.8
181.10153	1.3
183.11661	2.2
185.13202	1.9
187.11118	1.1
187.14812	1.6
189.11191	2.8
195.11758	0.8
195.13794	2.1
197.13205	1.5
199.11079	0.8
201.16333	1.1
205.12234	2.5
211.14772	0.9
213.16472	1.0
219.96361	0.8
223.13271	19.1
227.12775	2.0
243.15874	0.8
243.21056	1.0
245.18895	1.4
249.14801	1.4
255.17368	1.0
259.20468	1.0
261.22125	4.3
273.18491	16.1
275.19904	0.7
291.19547	100.0
292.19809	2.0
317.24570	1.2
335.25909	2.2
347.22208	2.9
365.23199	2.1
377.16238	0.8
381.31726	1.0
533.39966	0.8
547.26801	0.8
607.43640	3.8
625.44647	80.3
626.45050	3.4
632.65472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01877	12.7
55.05267	2.0
55.05511	27.1
57.03434	8.3
57.07066	3.2
65.03938	4.4
67.05507	65.2
69.03436	2.4
69.06728	2.1
69.07070	25.3
71.04999	3.3
77.03912	1.5
79.05495	39.2
81.03419	3.5
81.07060	56.7
83.04976	5.1
83.08623	15.8
85.06541	4.2
85.85342	1.4
91.04904	2.4
91.05482	44.9
93.07047	43.3
95.04967	8.1
95.08614	37.4
97.06537	13.3
97.10181	10.4
99.08091	2.8
103.05491	1.5
105.07037	41.6
107.04951	4.5
107.08588	25.2
109.06545	6.1
109.10165	23.6
111.08104	5.5
115.05478	4.5
117.07025	20.1
119.08591	31.3
121.06554	2.8
121.10141	17.4
123.08088	3.3
123.11713	8.1
125.09642	8.4
128.06238	4.9
129.07004	19.5
131.08575	29.1
133.10136	20.8
135.08060	4.2
135.11699	11.0
137.09608	1.9
137.13176	2.0
139.11214	2.2
141.07007	9.2
141.41925	1.3
142.07799	4.7
143.08566	22.4
144.09308	2.5
145.06491	2.8
145.10130	27.3
147.08018	3.2
147.11685	15.7
149.09637	4.2
149.13237	4.6
151.11095	1.7
153.06978	1.9
154.07733	2.1
155.08569	15.5
156.09401	2.5
157.10153	18.2
159.08020	3.0
159.11696	18.8
161.09634	2.8
161.13280	8.7
163.11186	4.0
165.07010	2.7
165.12770	1.4
166.07802	1.5
167.08536	6.3
169.10170	15.2
171.11678	18.6
173.09618	2.3
173.11890	2.7
173.13243	10.8
175.11191	1.6
175.14867	4.6
179.08565	2.2
179.14355	1.9
181.10107	8.8
182.10788	1.9
183.11719	16.1
185.11794	2.2
185.13260	13.2
187.11235	1.7
187.13403	1.5
187.14798	7.0
189.11230	3.5
189.12863	2.1
189.16370	2.3
193.10191	3.2
195.11694	10.3
197.09576	1.9
197.13268	13.5
199.11266	1.6
199.14804	8.7
201.16420	3.1
205.10175	1.3
207.11745	3.2
208.12523	1.6
209.13313	8.3
211.11186	1.6
211.14845	9.2
213.16403	4.6
215.18037	2.0
221.13243	4.0
223.14893	6.2
225.16466	4.8
227.12791	3.1
227.18086	2.7
229.14401	2.9
235.14877	3.5
237.16437	3.0
239.17995	6.4
241.15936	1.7
241.19565	5.7
243.15941	1.4
249.16512	2.7
251.18016	3.0
255.21083	3.0
257.18970	3.0
259.20520	6.6
273.18549	3.4
275.20166	7.6
279.21094	1.9
281.18930	1.6
283.20630	2.6
287.20071	1.7
289.21396	1.4
291.19635	3.8
297.22263	2.0
299.23715	2.3
300.39639	1.4
309.22253	2.0
313.21622	2.0
323.23935	1.7
333.24487	3.2
333.60287	1.5
347.22617	1.5
349.24203	4.8
365.28476	4.8
379.30154	4.7
381.31726	3.1
403.30209	1.6
421.31210	3.6
435.32724	1.6
437.34540	1.7
439.32037	2.3
453.33862	1.7
466.65097	1.4
495.34781	2.4
513.35815	18.9
515.39240	7.9
515.45538	1.4
527.37439	2.0
533.39648	9.1
551.41064	6.6
555.36816	2.6
589.42548	2.8
597.45386	2.0
607.43518	41.6
608.43732	1.8
625.44635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70181	1.1
53.03942	3.7
55.01873	10.3
55.05268	2.3
55.05515	32.2
57.03440	7.6
57.07066	3.9
65.03953	3.1
67.05508	53.4
69.07071	26.7
69.33984	8.1
71.04986	4.5
71.08635	1.3
79.05498	42.5
81.03445	2.1
81.07058	52.5
83.04973	4.0
83.08613	12.9
85.06531	2.4
91.05487	34.3
93.07049	37.0
95.04974	6.6
95.08609	30.6
97.06534	12.3
97.10162	9.0
98.20898	2.7
98.21544	2.1
100.44909	1.5
103.05482	2.2
105.07040	35.1
107.05009	3.2
107.08595	28.4
109.06546	3.9
109.10157	21.5
111.08092	3.5
115.05457	2.3
116.06306	1.3
117.07025	18.8
119.08588	30.0
121.06523	1.6
121.10141	14.2
121.10951	1.6
123.08097	4.5
123.11736	5.7
125.09624	7.3
128.06245	5.2
129.07005	17.0
131.08563	27.0
133.10136	19.9
135.08049	3.3
135.11703	9.1
137.09668	3.0
137.13278	1.5
141.07050	8.6
142.07779	3.8
143.08574	24.9
145.06534	1.7
145.10127	22.8
147.08054	2.3
147.11697	13.7
149.09657	5.9
149.13321	5.1
151.11235	1.9
153.06970	2.0
154.07788	2.4
155.08562	11.9
156.09407	1.9
157.10135	19.8
159.08168	2.8
159.11700	16.2
161.09639	3.0
161.13304	8.3
163.11256	1.9
167.08580	5.4
168.09346	1.7
169.10146	17.1
171.08075	1.9
171.11703	17.4
173.11873	1.8
173.13249	11.6
175.11235	1.3
175.14890	4.4
177.12793	1.7
179.08643	3.4
180.09404	1.7
181.10141	9.4
182.10945	2.2
183.11688	13.5
185.09671	1.5
185.13277	12.1
187.11261	1.8
187.13309	1.9
187.14848	4.9
189.11252	2.5
189.16434	1.9
193.10147	4.5
195.11688	9.0
197.13293	14.0
199.11147	1.5
199.14868	8.2
201.12784	2.0
201.16417	4.1
205.10214	1.5
207.11679	2.0
209.13255	8.4
211.14764	9.0
213.16458	5.5
215.17899	1.8
221.13286	3.6
222.14059	1.4
223.14848	5.1
225.16348	6.6
227.12810	5.9
227.18040	2.3
229.19527	2.2
235.14804	3.8
237.16394	5.1
239.18042	4.6
241.19446	6.8
243.16022	3.5
249.16336	3.3
249.18680	1.7
251.18089	3.1
253.19588	2.0
257.19046	3.9
259.20502	6.0
267.21201	2.1
271.20657	3.1
273.18622	4.2
275.20129	10.9
277.19247	1.9
277.21942	1.7
283.20743	1.8
291.19769	2.3
295.20065	1.3
315.23270	2.4
323.23801	1.7
333.24243	4.0
347.22214	1.7
349.24017	3.7
363.26819	2.4
365.28525	7.6
366.28787	1.7
375.26755	1.5
379.30313	1.6
381.31720	2.9
383.29819	2.2
403.29938	1.4
421.31168	4.3
435.32632	1.9
439.32056	1.8
445.31210	1.3
495.34604	2.6
513.35632	18.0
515.38593	6.2
527.37463	3.3
533.39954	10.2
551.41553	6.4
555.36798	2.4
597.45642	2.0
607.43567	48.3
608.44031	2.5
625.44623	100.0
626.44843	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	625.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43845	4.6
55.01871	6.2
55.05524	21.9
57.03430	5.9
61.02904	5.6
62.12747	5.3
65.03933	6.4
65.41930	4.9
67.05506	50.8
69.03430	8.6
69.07075	22.1
69.83406	4.8
69.83730	25.1
71.04988	5.3
73.02898	5.0
79.05497	41.3
81.03425	13.6
81.07062	49.8
83.04974	11.0
83.08616	12.5
85.02911	8.0
91.05492	42.4
93.07060	42.5
95.04998	10.1
95.08602	29.1
95.29539	5.3
97.06552	6.2
97.10190	9.9
105.07041	33.7
107.04951	5.4
107.08615	22.7
107.42056	5.2
109.06531	8.5
109.10159	9.3
111.08120	6.0
117.07021	20.4
119.08573	26.7
121.06518	9.4
121.10125	15.4
123.08119	5.4
125.09659	4.4
127.03843	5.9
129.06970	11.0
131.08575	31.8
133.10100	13.4
135.08063	7.8
135.11728	9.6
137.09608	5.6
141.07002	8.7
143.08580	16.2
145.10106	22.0
147.11731	9.0
149.13293	5.5
155.08595	8.2
157.10129	12.6
159.11649	10.6
171.11646	5.9
173.13190	5.6
183.11652	5.2
211.09465	5.8
226.95563	4.2
227.12746	5.4
275.20120	5.3
278.29297	5.1
343.25775	7.0
353.24850	14.2
371.25787	15.2
389.26920	21.4
437.21295	9.8
445.29501	100.0
463.30591	57.0
548.77203	4.9
625.32104	90.6
625.42322	5.2
629.04785	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46077	2.7
52.81146	2.7
53.03948	7.8
55.01871	10.5
55.05513	46.9
57.03441	8.7
57.07085	6.5
58.56836	2.8
59.05035	2.7
65.03941	6.5
67.05508	81.2
69.03432	3.5
69.07075	37.7
71.05003	9.1
71.50455	3.7
79.05497	64.3
81.03439	10.2
81.07063	93.1
83.04988	9.2
83.08624	21.3
85.02927	3.3
85.06547	7.6
91.05489	71.3
93.07050	67.6
95.04987	11.4
95.08606	55.3
97.06548	12.6
97.10182	12.9
97.67203	2.7
99.08081	3.3
103.05499	4.5
105.07043	63.9
107.04942	8.3
107.08594	41.1
107.68438	3.0
109.02940	3.5
109.06525	7.9
109.10170	29.2
111.08108	6.2
115.05444	4.1
117.07032	35.8
119.08598	44.2
121.06522	5.3
121.10152	25.0
123.08062	6.8
123.11752	13.3
125.09657	12.6
128.06247	7.0
129.07025	25.2
130.07767	4.3
131.08575	45.2
133.10132	37.3
135.08124	6.6
135.11690	13.8
137.09724	3.1
141.07008	9.2
142.07787	5.4
143.08571	30.0
145.06546	6.9
145.10147	42.0
147.08038	4.1
147.11693	21.5
149.09671	8.2
149.13297	7.9
155.08549	22.4
157.10115	25.6
159.08109	4.5
159.11685	27.0
161.13298	11.6
163.11182	7.2
163.14796	3.2
165.06958	3.6
167.08585	8.1
168.09331	4.5
169.10152	29.3
171.11691	23.3
173.13269	14.6
175.14781	3.7
181.10173	13.0
183.11678	18.3
185.13274	16.4
187.14832	7.2
189.11342	4.9
195.11760	9.4
197.13290	20.6
199.14870	7.7
207.11777	3.7
209.13359	8.6
211.14864	11.7
213.16403	8.4
221.13329	4.6
223.14949	4.8
225.16499	8.2
227.12756	4.9
227.18083	5.0
235.14975	3.4
239.17990	5.7
241.19746	3.2
251.17889	3.5
253.19632	3.9
257.18997	4.1
259.20612	7.8
275.20148	12.4
284.81219	3.2
335.23331	4.6
349.24115	5.1
353.24805	5.9
365.28574	7.2
371.25894	9.2
389.27039	11.2
439.32144	5.4
445.29538	58.3
446.29642	4.2
463.30634	18.9
513.35938	13.6
515.38794	8.4
527.37543	5.1
533.39996	18.2
551.40778	8.5
589.42529	3.4
597.45264	3.6
607.43567	48.7
625.34637	6.8
625.44727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3585
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
53.03944	6.1
55.01873	10.9
55.05512	33.6
57.03434	7.5
57.07085	3.8
65.03960	2.8
67.05505	62.3
69.07072	24.9
69.32515	8.5
69.32944	9.8
71.04995	6.2
79.05497	44.6
81.03423	4.6
81.07054	63.4
83.04990	9.6
83.08626	17.0
85.06548	3.5
91.05480	48.7
93.07048	44.6
95.04979	7.9
95.08604	40.6
97.06513	10.1
97.10172	7.9
97.89230	2.0
98.20853	3.1
105.07035	47.9
107.04988	5.3
107.08601	30.5
109.02857	2.5
109.06523	6.0
109.10159	20.1
111.08082	3.6
112.90092	2.3
115.05484	4.6
117.07022	24.1
119.08561	32.4
121.06564	2.5
121.10146	19.1
123.08060	2.9
123.11726	7.5
125.09652	9.1
128.06265	7.3
129.07008	18.4
131.08582	32.1
133.06500	3.0
133.10115	23.0
135.11647	11.3
137.09633	3.9
141.07048	7.1
142.07776	4.5
143.08563	23.8
145.10144	31.6
147.08058	4.0
147.11676	18.0
149.09663	7.7
149.13289	6.5
151.11176	4.0
153.07063	3.7
154.07794	2.8
155.08609	18.5
157.10146	22.7
159.11699	19.2
161.09653	3.1
161.13321	6.7
162.15985	2.2
163.11176	2.6
163.14815	2.9
165.06937	3.1
167.08618	8.4
168.09392	2.8
169.10098	18.5
171.08072	2.4
171.11682	15.3
173.09616	2.9
173.12010	2.7
173.13223	12.2
175.14807	4.5
179.08621	2.3
180.09407	3.3
181.10193	9.2
181.98125	2.5
183.11678	16.3
185.13315	9.7
187.14865	4.4
189.11238	2.9
195.11690	10.3
196.12430	2.8
197.13319	15.2
199.14911	5.8
201.16403	3.8
207.11749	4.3
209.13332	7.7
211.14851	8.6
213.12798	2.7
213.16460	5.3
223.14929	6.7
225.16536	5.3
227.12782	3.7
227.17915	3.5
237.16483	3.4
239.18013	5.0
241.19534	4.6
249.16388	2.8
257.18973	2.8
259.20627	3.9
261.69827	2.3
273.18658	2.9
275.20148	7.1
307.24030	2.2
325.25531	2.3
333.24374	3.7
349.24069	3.1
353.24802	5.2
356.29581	2.2
365.28555	6.5
368.44128	2.2
371.26004	5.9
381.31522	2.9
389.27008	5.9
396.56662	2.6
407.29468	3.2
421.31046	3.7
439.31622	2.3
445.29575	34.9
463.30734	18.6
495.33926	2.7
497.37094	2.2
513.35767	18.5
515.38837	7.9
527.37549	2.7
533.40112	6.6
537.35223	3.0
551.40796	9.3
607.43622	36.9
625.44641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	5.8
55.05505	15.8
65.07476	4.1
67.05505	39.0
67.26926	3.9
69.03446	5.0
69.07085	15.9
70.02514	18.1
79.05495	28.9
81.07063	40.4
83.08630	5.1
87.44072	3.7
91.05486	33.6
93.06571	4.3
93.07057	28.2
95.08633	29.8
97.06521	11.2
105.07038	34.0
107.08590	23.4
109.06553	9.9
109.10170	7.7
112.84271	4.8
117.07034	17.5
119.08616	16.4
119.77818	4.1
121.06517	4.5
121.10178	8.5
129.07033	16.2
131.08598	23.9
133.06517	5.8
133.10158	19.7
135.08127	4.5
135.11766	9.0
143.08598	13.6
145.10146	19.5
147.11729	7.4
149.09691	4.9
155.08583	7.6
157.10211	9.5
159.11656	5.3
163.11237	4.0
167.08640	4.5
169.10204	9.6
171.11716	6.8
173.13275	8.3
175.14828	6.0
183.11826	6.3
185.13324	9.9
197.13316	7.9
222.56194	4.5
239.18138	4.0
275.20190	5.8
353.24716	11.9
371.25952	9.2
389.26926	13.7
405.66727	4.0
410.19803	4.9
413.16965	4.3
445.29486	100.0
463.30771	21.9
512.33929	4.9
527.37292	8.8
529.55334	4.5
607.43530	12.4
625.44733	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58289	4.2
53.03949	5.3
55.01863	3.7
55.05510	25.6
57.03436	9.8
57.07067	4.5
59.04971	5.3
61.02919	4.2
67.05509	36.8
69.03419	10.2
69.07075	43.8
69.16246	40.9
70.06567	5.0
71.01361	3.6
71.04980	8.3
76.02965	4.6
77.09833	3.9
79.05495	21.2
81.07059	100.0
83.04965	7.9
83.08603	10.5
85.02905	7.6
85.06526	5.7
91.05488	20.2
93.07049	63.3
95.04969	25.8
95.08611	76.1
97.06524	10.5
97.10184	24.1
103.03932	7.7
105.07039	22.7
107.08590	39.2
109.06513	10.1
109.10168	61.0
111.08108	5.4
111.11739	4.9
119.08582	31.5
121.06475	6.0
121.10164	37.4
123.04461	3.9
123.11714	60.5
125.09662	6.8
127.07547	3.8
131.08580	11.0
133.10127	17.2
135.11676	31.5
137.05959	5.8
137.09647	5.0
137.13242	11.6
139.03911	10.1
139.11169	17.5
141.01884	5.0
141.12788	3.6
145.10118	16.9
147.11696	24.1
149.13213	9.4
153.01855	18.3
153.12724	11.7
157.12292	4.0
159.11694	14.9
161.13254	8.5
163.11227	10.7
165.12743	4.9
173.13257	7.2
175.14842	5.8
176.79474	3.6
177.05362	3.9
177.16391	6.4
181.12276	5.5
187.13347	6.1
187.14879	6.7
205.15863	5.0
243.15900	25.7
257.22556	7.3
275.23636	15.2
291.23260	6.6
293.24738	10.2
303.23141	43.5
321.24332	21.6
365.27161	6.2
377.26855	10.2
383.27814	17.6
395.27921	73.6
413.29019	33.4
431.30087	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	625.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	17.6
55.50633	4.0
57.03434	5.7
64.91675	3.0
67.05519	18.6
69.03414	4.2
69.07082	26.8
69.36826	3.1
71.04976	3.5
71.06458	7.4
79.05502	24.5
81.06589	6.1
81.07063	100.0
82.31421	3.4
83.08624	7.5
85.02903	5.1
85.06545	9.2
87.00829	3.6
90.60229	3.2
91.05489	21.2
93.07050	42.2
95.01295	4.6
95.04967	7.8
95.08612	57.0
97.06554	8.4
97.10163	17.9
105.07037	40.8
107.08595	38.6
109.05811	3.3
109.06528	13.0
109.10152	29.0
111.08116	4.2
117.06973	3.8
119.08598	37.5
121.06492	5.1
121.10149	64.1
123.08057	7.7
123.11720	28.2
125.09600	6.3
131.08543	10.8
133.10143	25.2
135.11691	25.3
137.09586	6.0
137.13251	5.7
139.11185	12.9
141.01869	6.5
143.08568	3.5
145.10175	18.3
147.04364	3.5
147.11691	31.6
149.13219	8.9
151.03908	7.7
151.07524	7.1
151.11156	5.2
153.01860	5.0
157.10106	8.4
157.12231	5.6
159.11694	25.3
161.13206	17.5
163.11162	12.3
163.14839	4.2
165.12762	6.5
169.12274	3.3
171.11681	3.5
173.13187	5.3
175.14836	12.9
177.12747	4.2
177.16408	4.8
185.13261	3.9
187.14813	11.4
193.15974	3.5
197.13144	4.1
201.16154	3.6
205.15823	5.6
223.05141	3.2
223.16864	4.6
241.14383	6.5
243.15981	8.2
244.06100	5.1
257.22610	5.2
259.15283	3.6
267.21036	5.2
273.22443	4.2
275.23691	4.2
285.22092	15.1
291.23187	5.1
297.20419	3.8
303.23175	35.5
321.24243	29.2
339.25369	6.6
351.25137	4.3
365.26807	11.7
377.26898	30.3
383.27869	15.3
395.27951	66.1
413.28995	27.4
625.22656	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	624.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12746	33.1
57.07072	38.0
65.82600	31.5
67.05493	58.2
70.74263	34.9
71.08642	43.6
71.52048	45.0
79.05479	41.3
81.07069	81.6
85.63516	35.0
91.05478	82.6
93.07041	62.2
95.08624	71.3
105.07047	61.0
109.10157	37.8
119.08605	70.1
133.10187	48.5
135.11668	36.7
135.32181	32.3
137.22690	29.7
140.74649	35.0
145.10133	34.4
147.11665	58.3
199.14999	36.2
241.19481	44.2
246.90213	31.9
259.20624	100.0
313.27383	99.2
333.24127	40.0
372.59845	40.0
413.26477	35.5
424.22772	34.4
446.66141	34.4
452.47424	40.0
466.58688	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.1
55.01861	3.0
55.05519	25.1
57.03443	6.4
57.07070	5.9
64.98539	2.5
67.05513	36.0
69.03428	7.8
69.06744	3.0
69.07079	42.9
70.06579	3.1
71.04993	9.9
71.50674	3.7
79.05496	18.8
80.49992	2.4
81.03424	3.5
81.07067	100.0
83.04993	9.6
83.08621	13.4
83.28499	2.5
85.02905	5.7
85.06538	7.1
91.05495	14.3
93.07056	58.0
95.01382	3.6
95.04982	24.6
95.08617	64.6
97.06534	4.6
97.10184	21.3
99.08121	4.8
102.63215	3.0
103.03965	5.8
105.07040	26.2
107.05008	3.0
107.08608	40.9
109.06534	10.0
109.10176	51.1
111.08080	8.0
111.11739	8.5
117.07032	6.2
119.08578	22.7
121.06553	2.8
121.10155	45.0
123.08047	5.7
123.11732	55.4
125.09624	7.4
129.32332	2.5
131.08583	4.9
133.10181	16.8
135.11710	37.8
137.09686	3.1
137.13248	6.9
139.03938	8.5
139.11194	13.9
141.01845	4.8
141.12747	3.0
145.09212	2.7
145.10146	16.4
147.04478	3.3
147.11702	23.5
149.09616	3.2
149.13278	11.7
151.07574	7.9
151.11227	4.0
153.01849	18.4
153.02972	3.4
153.12773	14.7
154.02286	2.8
157.10124	5.1
157.12299	5.9
159.11671	17.0
161.09602	4.2
161.13264	10.4
163.11185	8.1
163.14806	6.8
165.12778	9.1
173.13281	5.0
175.14893	5.4
177.12796	3.8
177.16394	3.5
181.12244	3.9
187.13268	4.2
187.14870	8.4
205.15961	4.1
217.19357	3.6
233.25363	2.8
241.14384	3.6
243.15967	28.1
247.24368	3.2
257.22632	6.5
259.46826	2.8
267.21265	4.5
275.23843	21.5
285.22177	4.9
287.10220	4.8
291.23169	5.0
293.24805	11.6
303.23221	51.9
321.24261	21.9
339.25314	4.6
365.26974	3.9
377.26898	12.0
383.28027	17.4
395.27979	58.7
413.28983	34.5
431.30142	4.0
434.56781	3.5
547.94189	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.1
53.11792	1.3
55.01872	7.1
55.05270	1.6
55.05515	20.3
56.46441	1.1
57.03442	12.9
57.07071	1.5
59.04291	1.4
59.05010	1.2
65.03947	6.0
67.05508	61.3
68.99821	1.2
69.03442	2.5
69.07070	15.7
70.63704	3.7
71.04983	4.3
79.05018	1.2
79.05495	50.2
81.03428	8.0
81.07062	58.3
83.04990	5.6
83.08620	8.5
85.06554	10.8
91.05484	53.2
91.06076	1.5
93.07044	39.1
95.01330	2.9
95.04975	50.2
95.08609	37.0
97.06528	10.3
97.10165	3.1
98.20973	1.2
99.08114	1.7
103.05462	3.2
105.04561	1.2
105.07039	51.0
107.04967	11.6
107.08597	24.5
109.06525	43.8
109.10162	11.1
111.08081	3.6
112.33659	1.2
113.06004	19.0
115.05471	4.2
116.06252	2.3
117.07023	24.2
119.04959	1.6
119.08586	32.9
121.06500	7.1
121.10145	11.8
123.04471	1.3
123.08076	6.2
123.11747	2.3
125.09673	2.2
128.06233	7.4
129.07014	16.9
130.07776	2.0
131.08569	32.9
133.06502	4.3
133.10136	23.9
135.08069	17.3
135.11707	9.2
137.09648	1.8
141.07021	4.5
142.07793	2.2
143.08565	17.3
145.06522	4.2
145.10132	25.7
147.08110	6.0
147.11684	16.0
149.09619	5.8
149.13290	3.9
153.06999	1.3
154.07820	2.0
155.08621	7.9
156.09389	2.7
157.10156	13.2
159.08070	4.6
159.11705	19.0
161.09642	5.5
161.13231	9.2
162.44446	1.1
163.11220	4.5
163.14835	1.8
165.06938	1.2
167.08623	4.1
168.09389	1.5
169.10130	11.0
171.08124	1.7
171.11655	12.3
173.09644	2.8
173.13249	9.3
175.11177	2.3
175.14888	3.4
177.12788	4.3
179.08604	1.8
179.14326	2.6
181.10164	5.7
183.11703	7.2
185.09654	2.6
185.13269	7.2
187.11180	6.4
187.14816	3.4
189.12689	1.6
189.16428	1.3
193.10170	3.9
195.11746	7.3
195.13593	2.0
197.13261	6.4
199.11436	1.4
199.14838	7.2
201.12813	1.3
201.16457	2.3
203.14291	1.8
205.10075	1.5
207.11786	3.2
207.13696	1.6
209.13271	3.6
211.14868	5.6
213.12840	2.7
213.16466	2.5
217.15967	6.4
219.11777	1.9
221.13275	2.6
223.14960	2.3
227.14455	1.7
227.18111	2.5
231.14069	1.5
231.21049	1.8
235.14854	2.2
237.16444	3.4
239.17946	1.9
241.19606	4.3
245.19199	2.0
249.16507	1.8
249.74774	1.3
255.17488	3.0
257.19116	5.9
259.20602	5.9
265.19556	1.9
273.18518	21.3
275.20215	10.2
279.15839	9.5
281.17273	1.3
291.19525	34.3
315.23245	3.5
327.26996	4.1
331.22821	2.7
333.24231	6.8
347.22290	9.3
349.24265	1.4
353.24667	1.7
357.23984	1.3
511.34821	1.4
513.36981	4.4
528.73785	1.3
531.37970	6.9
549.39825	6.8
565.38873	2.1
567.40869	2.9
595.43195	2.5
605.41974	18.8
623.43085	100.0
624.43640	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20650	2.4
53.03936	2.9
55.05518	21.4
57.03427	4.8
57.07071	6.8
59.05006	5.2
65.03943	3.3
67.05511	27.1
69.03433	7.8
69.07072	39.2
69.77769	4.7
69.78190	8.2
70.06597	3.5
71.01365	3.3
71.05003	4.3
73.94833	2.0
79.05502	15.6
79.05898	2.5
80.43672	2.2
81.07062	100.0
82.08787	2.0
83.04993	4.5
83.08640	10.9
85.02905	7.8
85.06549	6.2
87.04444	2.7
91.05495	10.1
93.06491	3.0
93.07055	38.2
95.04967	6.3
95.08617	73.6
97.02909	7.0
97.06541	9.5
97.10162	17.6
99.04504	3.2
103.03950	6.5
105.04539	2.2
105.07042	18.2
106.35761	2.4
107.04977	2.7
107.08597	40.6
109.06524	3.6
109.10159	28.6
111.08076	11.8
111.11727	6.4
117.06950	2.8
119.08591	16.0
121.06549	5.0
121.10159	27.2
123.08079	5.5
123.11723	54.5
125.09635	4.8
131.08595	3.5
133.10095	12.0
135.11693	16.4
136.07703	2.1
137.13287	15.7
139.03914	12.5
139.11200	15.2
145.10159	4.7
147.08080	2.9
147.11690	13.6
149.13261	36.9
151.03937	2.6
151.07576	8.7
151.11218	2.8
153.01839	13.6
153.12776	6.3
155.08440	2.3
157.12277	5.0
159.11751	5.4
161.13258	8.4
163.14873	8.7
165.12758	5.2
169.12276	4.4
173.13268	5.0
175.14902	2.9
177.16383	3.0
179.14336	3.1
187.13290	4.4
189.16380	3.4
196.60640	2.1
201.16464	2.3
203.17963	4.5
213.16434	2.7
241.14287	10.6
243.15941	21.8
255.15730	3.1
259.15457	2.7
273.17120	2.2
275.23715	4.6
287.23672	11.3
291.80280	2.3
293.24927	3.3
303.23178	4.8
305.24731	23.1
323.22076	2.8
323.25888	8.3
367.28500	12.9
379.28461	22.9
385.29422	4.5
397.29636	22.5
397.34558	3.8
415.19290	2.7
415.30502	8.9
426.49518	2.5
447.17584	3.4
579.81873	2.6
623.19653	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.7
52.97805	1.5
53.03953	8.2
55.01627	2.1
55.01876	25.9
55.05270	2.3
55.05518	40.1
57.03452	8.0
57.07066	3.8
63.47660	1.4
65.03938	5.9
67.05510	88.2
69.03432	3.8
69.07074	47.5
71.04987	3.7
77.00057	1.5
77.03908	1.7
79.05500	80.7
81.03430	8.3
81.07063	83.2
83.04990	21.7
83.08609	14.2
85.06551	2.0
91.05489	82.7
93.06480	3.5
93.07052	56.1
95.01343	9.3
95.04974	24.5
95.08620	45.1
97.06535	35.7
97.10176	7.0
99.08093	2.2
103.05483	4.2
105.04513	2.7
105.07040	87.8
107.04958	25.3
107.08604	45.8
109.06518	18.2
109.10162	18.0
111.08106	7.1
111.63173	1.9
113.05997	1.7
113.09687	1.9
115.05451	4.8
117.07021	30.2
118.82457	1.5
119.08585	52.9
121.06501	6.7
121.10157	16.4
123.04462	1.6
123.08120	9.4
123.11713	6.3
123.75553	1.6
125.09634	6.2
128.06200	6.5
129.07037	15.5
130.07808	4.2
131.08580	42.7
133.06503	4.9
133.10141	43.7
133.11099	3.3
135.08095	9.3
135.11720	15.1
137.09607	2.7
141.07018	7.4
142.07780	4.5
143.08574	18.7
144.09322	1.8
145.06490	4.4
145.10136	36.7
147.08051	4.8
147.11699	24.3
147.12788	1.9
149.09647	16.1
149.13290	7.4
151.11227	4.0
153.06961	2.3
155.08548	13.8
157.10123	14.9
159.08095	3.2
159.11693	23.1
161.09637	5.4
161.13263	9.1
163.11224	13.9
163.14944	1.9
165.09126	3.9
166.07768	1.6
167.08565	5.2
168.09418	1.9
169.10150	13.6
171.11696	11.3
173.09697	2.3
173.11868	3.2
173.13219	12.5
175.11266	4.2
175.14861	2.7
177.12775	6.7
179.08557	2.2
179.14322	17.0
181.08757	2.0
181.10017	8.2
183.11687	12.7
185.09683	2.0
185.13214	8.6
187.11237	2.8
187.14859	3.1
191.14328	2.6
193.10172	3.4
195.11729	5.5
197.13312	6.9
199.11215	2.9
199.14812	4.2
201.12755	3.5
205.15749	2.1
207.11728	4.4
209.13268	5.3
211.14854	5.5
213.12874	2.8
213.16457	2.4
215.17929	2.9
217.15849	3.6
219.11790	3.5
219.13757	2.1
219.17484	2.9
221.13257	2.1
225.16452	2.6
227.18190	1.8
229.16008	1.9
229.19559	5.7
235.14912	2.4
237.16530	4.5
239.17926	8.4
247.14951	2.2
247.20619	4.4
251.17926	2.4
253.15744	2.0
257.19034	22.3
259.20609	2.6
261.16336	2.3
273.18552	8.1
275.20090	95.1
276.20251	2.4
279.15848	3.3
293.21140	6.2
313.21701	2.4
331.22812	6.1
349.23816	8.4
363.22937	1.9
379.26273	1.8
511.34369	3.2
513.36890	3.7
523.38403	1.8
531.38483	7.1
549.39563	7.0
567.40527	2.2
595.43842	2.4
605.42004	22.9
623.43066	100.0
624.42810	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72800	2.3
51.72696	2.5
53.03935	4.0
55.01862	7.0
55.05318	2.0
55.05515	24.3
57.03430	9.3
61.02927	33.6
63.07863	2.2
65.03941	4.6
67.05180	3.5
67.05509	42.2
69.03423	10.1
69.07071	15.9
69.76801	5.4
69.77191	6.4
71.04994	6.7
73.02906	9.7
77.84885	2.2
79.05499	40.1
81.03412	6.6
81.07059	39.6
83.08623	18.2
85.02903	28.5
85.06501	2.9
91.03954	13.0
91.05489	55.1
93.07047	38.8
95.04971	6.1
95.08620	25.0
97.02909	17.3
97.06546	5.8
97.10171	3.9
98.20845	3.7
103.05457	4.5
105.07043	38.3
107.04941	7.9
107.08599	20.0
109.06521	7.5
109.10148	10.4
111.08098	3.8
115.05446	3.3
117.07027	30.8
119.08569	20.7
121.06496	6.5
121.10146	12.6
123.08054	3.4
125.09658	3.9
127.03909	3.6
128.06226	12.9
129.07016	40.5
130.07715	3.8
131.08565	44.2
133.06490	8.2
133.10143	15.3
135.08060	6.0
135.11699	7.1
137.09544	3.0
141.06981	17.8
142.07762	3.3
143.08569	36.2
145.06505	9.0
145.10139	19.1
147.08031	9.5
147.11644	8.4
149.09639	9.4
149.13245	3.9
153.07016	3.2
155.08556	27.9
157.06483	3.9
157.10144	19.5
159.08060	5.8
159.11693	13.0
161.09645	5.2
161.13329	3.0
163.11171	4.7
165.07048	4.7
167.08594	10.5
168.09270	2.3
169.10118	18.2
171.08145	3.4
171.11659	11.6
173.09624	5.4
173.13258	4.4
175.11235	3.8
177.12814	3.9
179.08548	4.8
181.10132	15.5
182.10907	4.1
183.11699	8.6
185.09631	4.0
185.13185	12.2
187.11198	4.9
187.14789	3.9
189.12700	3.5
193.10228	4.5
195.11748	13.8
197.13297	8.2
199.11081	3.4
199.14755	4.5
207.11761	5.0
209.13335	8.0
211.14879	6.7
213.12701	3.5
215.14340	6.7
221.13229	11.5
223.14792	7.5
225.12740	2.7
225.16264	4.1
227.14435	3.4
229.14383	3.3
233.15450	3.7
235.14938	5.1
239.14296	6.7
253.15918	4.2
257.15424	4.7
267.17514	3.4
301.51379	2.3
303.19467	2.6
315.20953	4.0
323.23837	5.0
326.16687	2.5
333.22144	16.2
333.30508	2.8
341.24753	8.3
351.23206	55.9
369.19907	4.8
369.24216	40.1
387.25113	22.8
425.26617	6.7
443.27966	100.0
444.28107	3.1
461.28983	56.3
462.29672	3.5
623.34277	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	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.01877	0.5
55.05518	4.1
55.08212	0.2
56.36854	0.3
57.03421	0.6
57.07077	0.3
65.03942	0.3
66.61478	0.2
67.05505	3.6
67.56271	0.2
69.07077	1.8
71.04997	0.3
71.52138	0.3
72.24256	0.2
79.05499	3.5
81.03419	0.6
81.07063	5.0
82.51275	0.2
83.04968	0.4
83.08627	1.8
91.05485	3.5
93.07049	2.6
95.04977	1.4
95.08621	2.1
97.06528	0.9
97.10181	0.6
103.95818	0.3
105.07034	2.9
107.04971	0.8
107.08592	1.3
109.06564	1.5
109.10179	0.7
117.07027	1.5
119.08582	1.6
121.06513	0.8
121.10148	1.0
123.08035	0.3
128.06244	0.5
129.07031	0.8
131.08556	1.9
133.06491	0.4
133.10155	1.2
135.08157	0.5
135.11726	0.6
137.09602	0.4
141.06982	0.3
142.07790	0.3
143.08571	1.1
144.08087	0.3
145.10112	1.3
147.11696	0.6
149.09666	0.3
149.13257	0.3
155.08595	0.7
157.10176	1.0
159.08170	0.3
159.11745	0.9
161.13269	0.5
163.11150	0.3
167.08543	0.3
169.10158	0.8
171.11745	0.7
173.13364	0.7
179.14326	0.4
181.10204	0.7
183.11749	0.7
185.13271	0.4
195.11794	0.4
197.13301	0.5
209.13287	0.5
211.14958	0.3
233.13405	0.3
257.04758	0.3
257.19080	0.5
271.17142	0.4
273.18518	0.3
275.20187	1.3
289.17841	0.4
310.13602	0.3
363.23392	0.3
374.15652	0.3
375.16122	1.0
376.17056	0.4
387.16199	0.5
388.16837	0.6
389.17636	3.9
390.18372	2.0
391.19257	3.8
392.19772	0.4
393.20596	0.4
401.18250	0.4
402.18594	0.7
403.14749	0.5
403.19553	2.9
403.30414	0.4
404.19983	1.3
405.20810	10.5
406.21603	0.8
415.19788	0.5
416.20108	1.1
417.16534	7.4
418.17572	3.2
419.18411	4.0
421.30917	0.4
430.17453	0.4
431.18323	6.5
431.24222	0.4
432.19415	6.4
433.20224	9.4
434.21432	0.6
435.21762	0.4
443.18301	0.6
444.19449	0.5
445.20413	3.4
446.21225	1.0
447.22540	0.5
449.23502	1.1
450.24158	0.4
457.19995	0.7
458.21112	0.5
459.22134	1.9
460.22794	0.5
461.19421	2.0
462.20544	1.3
463.21799	1.3
464.21967	0.5
475.21021	1.5
476.22104	4.0
477.23517	5.0
478.23376	0.5
487.20993	0.4
489.23312	1.8
491.25473	1.5
503.24554	0.9
504.85529	0.3
505.22260	0.5
508.25211	0.3
519.23975	24.2
520.24567	0.8
521.22180	0.9
531.37775	0.5
535.26715	0.5
547.23376	0.5
549.38953	0.4
551.26581	0.5
563.26581	15.2
564.27167	0.6
579.25989	5.4
580.27118	0.3
591.26276	0.4
605.27679	0.6
605.42047	0.8
623.28674	100.0
623.42981	5.7
624.28845	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69814	0.5
55.01850	0.6
55.05510	1.5
55.82527	0.5
56.76688	0.5
57.07075	0.7
64.38991	0.5
67.05501	1.5
69.07088	0.6
71.01440	0.8
71.01767	0.6
71.08617	0.9
74.10368	0.4
75.71140	0.5
79.05505	1.2
81.07072	1.9
83.08621	0.8
86.29441	0.6
89.06029	0.9
90.99344	0.5
91.05499	1.0
93.07057	1.2
95.04957	0.6
95.08613	1.1
105.07027	1.5
107.08598	0.8
109.06516	0.7
109.10168	0.6
117.07025	0.6
119.08570	1.0
121.10203	0.7
131.08609	0.8
133.10135	0.8
145.10149	0.6
147.11684	0.6
184.60667	0.6
236.02043	0.5
248.15747	0.5
272.12817	0.6
273.85495	0.6
289.17978	0.6
310.29739	0.5
390.18491	1.4
391.19397	1.4
403.15143	0.8
404.16180	1.0
405.20914	4.2
407.43796	0.6
415.19113	0.9
419.18396	1.2
420.23489	1.3
421.24008	0.6
429.21011	2.7
431.23129	0.7
432.15295	0.6
433.20050	4.0
435.21829	0.9
443.22452	1.1
444.23276	0.9
445.24426	0.7
446.17258	0.8
447.17780	8.0
448.22958	2.7
449.23199	2.0
458.25012	1.1
459.21393	3.2
460.22702	1.6
461.19193	6.9
462.21017	1.0
463.21487	1.6
472.22739	1.7
473.23480	1.7
475.21103	0.8
476.22104	20.0
477.22662	3.6
479.20840	1.4
485.23370	2.5
487.25677	2.5
489.18924	1.0
503.24243	1.6
517.25879	1.4
519.24084	1.8
521.21930	0.9
531.24005	2.7
545.25470	12.5
546.25684	0.8
547.26892	1.0
563.26385	7.4
605.27655	2.4
623.28625	100.0
624.28870	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	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
57.07095	0.4
67.05499	0.7
67.46600	0.2
69.07051	0.4
70.10742	0.6
70.43982	0.2
71.91348	0.2
79.05488	1.1
80.32253	0.2
80.63282	0.2
81.03387	0.3
81.07064	0.7
83.04962	0.3
84.85356	0.2
91.05478	0.9
93.07038	0.7
95.04973	0.3
95.08595	0.7
105.07065	0.8
107.08623	0.4
109.06543	0.4
109.10142	0.3
117.07034	0.6
119.08593	0.3
121.10182	0.3
129.06821	0.2
131.08562	0.3
145.10149	0.2
209.10829	0.3
223.12329	0.6
249.10085	0.3
251.15691	0.2
286.13586	0.3
289.18161	0.3
324.14844	0.3
375.16443	0.4
376.17270	0.3
377.17633	0.3
387.16266	0.5
388.16888	0.9
389.17661	0.9
390.18469	0.4
391.19235	1.7
392.19931	0.7
399.16415	0.3
401.17789	0.9
402.18555	1.2
403.19427	2.2
404.20132	0.9
405.21078	2.8
406.21606	0.4
407.22223	1.6
414.18207	0.6
415.19485	2.1
416.20605	1.2
417.17075	1.9
417.21954	2.0
418.17999	1.1
419.18408	1.0
419.23022	3.4
420.23364	1.3
421.23914	0.4
428.16028	0.4
429.16837	0.8
429.21011	1.2
430.17056	2.0
431.17804	3.5
431.23181	1.1
432.19278	1.0
432.23563	0.9
433.20184	6.3
434.20856	0.9
435.21756	0.7
442.17798	0.4
443.17816	1.8
444.19098	2.2
445.19788	5.0
446.21216	3.2
447.21893	4.9
448.22635	1.1
449.23547	0.5
457.20499	0.8
458.20926	7.4
459.21591	5.9
460.22870	4.3
461.19827	1.2
462.20126	0.6
463.21381	2.6
465.23343	0.3
471.22098	0.5
472.22736	0.8
473.23831	1.5
475.20798	1.5
476.22128	1.0
477.22922	2.1
478.23901	0.4
485.23712	0.7
486.19849	0.4
487.25052	0.9
489.18973	0.4
489.23190	0.4
490.24072	0.4
491.24448	0.7
492.25684	0.4
503.24573	0.8
504.25342	0.8
505.22690	0.8
507.27734	0.4
517.22809	0.9
517.25677	0.8
518.23065	5.3
519.24097	0.6
520.24298	0.4
521.21747	1.8
530.23511	0.6
531.23676	0.9
532.24707	0.5
533.25452	8.0
534.25763	0.5
535.27588	1.8
541.13885	0.3
545.25525	4.2
546.26300	1.4
549.24396	0.3
563.26428	7.4
573.25122	0.8
577.28284	0.9
591.25531	0.6
605.27637	11.0
606.27618	0.7
623.28656	100.0
624.29095	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
87.23903	1.4
98.21535	3.4
120.64579	1.2
161.66145	1.7
229.52110	1.9
273.04221	1.5
388.18793	1.8
391.19330	3.5
392.19940	2.1
393.20709	2.3
399.16193	2.3
401.17548	2.0
405.20972	4.0
406.21442	3.7
407.22229	12.6
413.17969	3.3
414.18759	2.8
415.19211	4.3
419.22772	2.2
420.23178	3.6
421.24014	10.8
422.24817	3.5
427.19327	1.8
428.20407	4.1
429.20874	11.1
430.21603	2.4
433.24600	2.2
443.22571	7.9
444.23212	6.3
445.19766	2.4
457.23996	6.1
458.24976	7.6
459.21756	7.9
460.23080	2.3
461.19504	3.5
462.19855	1.9
470.20844	2.5
471.22220	2.4
472.22574	7.0
473.23465	2.8
475.21411	5.7
476.22180	5.1
477.23361	2.5
485.23468	14.8
486.24689	3.0
489.23007	3.9
499.21317	4.2
500.22406	1.7
503.24435	8.5
513.22937	4.9
514.23779	3.0
517.26190	8.6
529.26245	2.6
535.27167	4.9
545.25562	85.9
546.25842	2.7
573.25055	22.3
591.26361	2.6
605.27625	100.0
606.27795	3.8
623.28705	97.5
624.28815	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69814	0.5
55.01850	0.6
55.05510	1.5
55.82527	0.5
56.76688	0.5
57.07075	0.7
64.38991	0.5
67.05501	1.5
69.07088	0.6
71.01440	0.8
71.01767	0.6
71.08617	0.9
74.10368	0.4
75.71140	0.5
79.05505	1.2
81.07072	1.9
83.08621	0.8
86.29441	0.6
89.06029	0.9
90.99344	0.5
91.05499	1.0
93.07057	1.2
95.04957	0.6
95.08613	1.1
105.07027	1.5
107.08598	0.8
109.06516	0.7
109.10168	0.6
117.07025	0.6
119.08570	1.0
121.10203	0.7
131.08609	0.8
133.10135	0.8
145.10149	0.6
147.11684	0.6
184.60667	0.6
236.02043	0.5
248.15747	0.5
272.12817	0.6
273.85495	0.6
289.17978	0.6
310.29739	0.5
390.18491	1.4
391.19397	1.4
403.15143	0.8
404.16180	1.0
405.20914	4.2
407.43796	0.6
415.19113	0.9
419.18396	1.2
420.23489	1.3
421.24008	0.6
429.21011	2.7
431.23129	0.7
432.15295	0.6
433.20050	4.0
435.21829	0.9
443.22452	1.1
444.23276	0.9
445.24426	0.7
446.17258	0.8
447.17780	8.0
448.22958	2.7
449.23199	2.0
458.25012	1.1
459.21393	3.2
460.22702	1.6
461.19193	6.9
462.21017	1.0
463.21487	1.6
472.22739	1.7
473.23480	1.7
475.21103	0.8
476.22104	20.0
477.22662	3.6
479.20840	1.4
485.23370	2.5
487.25677	2.5
489.18924	1.0
503.24243	1.6
517.25879	1.4
519.24084	1.8
521.21930	0.9
531.24005	2.7
545.25470	12.5
546.25684	0.8
547.26892	1.0
563.26385	7.4
605.27655	2.4
623.28625	100.0
624.28870	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	622.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60787	0.6
53.76339	0.6
63.44440	0.6
80.48273	0.7
98.21513	1.6
99.16840	0.6
158.09824	0.6
209.10797	1.1
211.08748	0.7
221.10809	1.1
223.08479	0.6
223.12387	1.5
225.13953	1.2
237.13940	1.3
249.13843	0.9
251.08415	0.8
251.11830	0.7
264.22534	0.6
338.12857	0.8
389.18079	1.3
390.18539	1.2
402.14902	0.9
403.15219	1.8
403.19699	1.4
404.20016	0.8
405.21414	1.0
417.16748	3.4
418.17725	1.5
419.18402	1.1
419.23221	0.7
429.17511	0.9
431.19037	2.0
432.19461	2.6
433.20370	1.9
443.18835	0.9
445.16660	2.5
446.17542	2.7
447.18109	5.4
447.22498	3.4
448.18274	1.2
459.17798	1.1
460.18832	3.7
461.19525	6.3
462.20441	4.6
473.20035	1.1
474.20441	1.0
475.21347	20.4
476.22098	10.0
477.23099	9.1
479.24759	0.9
487.21460	0.8
488.23145	0.7
491.20789	0.9
493.22119	0.7
503.20407	4.2
504.21350	1.0
517.22302	0.9
519.24097	1.2
521.21552	1.2
534.26538	0.8
535.23224	14.7
536.24152	3.2
545.25537	1.2
547.23694	3.0
548.23944	1.3
549.24799	2.0
562.25549	9.3
563.26532	16.0
575.22839	1.5
579.26123	1.8
590.25269	7.6
593.25604	4.1
594.28497	5.6
605.27637	2.7
607.25629	5.4
618.47559	0.8
622.27881	100.0
623.28571	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00597	0.3
66.49088	0.3
67.05497	0.4
69.28442	1.8
69.28860	1.0
70.90699	0.3
81.07077	0.4
91.05478	0.4
95.08555	0.4
173.02766	0.4
209.10680	0.6
214.50368	0.3
224.13222	0.4
238.14589	0.4
249.09987	0.4
270.84863	0.4
377.17709	1.1
378.18610	0.8
388.17676	0.4
389.18115	1.1
390.18546	1.1
391.07980	0.4
391.19302	2.8
392.19968	1.8
393.20859	1.2
400.16852	0.5
401.17816	0.8
402.19177	0.5
403.19775	0.5
404.20163	1.0
405.20938	4.1
406.21503	3.2
407.22290	10.4
413.17789	1.0
414.18277	1.0
415.19177	2.3
416.20755	0.5
417.21387	0.5
418.22171	0.6
419.23154	2.1
420.23236	1.4
421.23868	10.3
422.24640	2.7
427.19443	1.3
428.20157	1.2
429.20828	4.3
430.21683	1.2
431.18304	0.8
432.19229	0.6
433.19867	0.7
433.24261	1.3
434.25577	0.5
442.22101	0.5
443.22464	2.7
444.23703	1.7
445.20441	1.5
446.21265	0.5
447.17926	1.3
447.22696	1.0
448.18521	0.6
449.23312	1.0
452.21729	0.7
455.18625	0.4
457.24820	1.6
458.25226	2.8
459.21942	3.4
460.22845	1.6
461.19043	4.5
462.20282	2.0
463.21381	1.0
470.21198	0.4
472.22635	2.4
473.18649	0.5
473.23773	1.1
474.20169	0.6
475.21161	6.1
476.21722	4.7
477.22739	3.6
485.23660	5.9
486.20593	1.7
486.25580	0.6
487.21375	1.4
488.22137	1.5
489.22986	3.6
490.24298	0.4
493.25821	0.9
497.23328	0.4
499.21231	5.8
500.22223	1.4
502.23193	0.6
503.24509	9.0
504.21210	1.0
505.22397	0.9
507.24100	1.0
508.28754	0.7
513.23114	2.0
514.23584	0.9
515.24500	1.1
517.23132	1.7
517.25732	2.0
521.25311	1.0
529.25983	0.7
531.23682	0.5
535.27075	5.7
545.25494	26.7
546.25769	0.9
559.23328	0.5
562.25507	0.5
563.26660	1.5
564.27258	2.0
573.25024	7.4
577.28052	1.2
591.26227	3.0
605.27606	18.6
606.28632	0.7
623.28619	100.0
624.28857	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	622.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60787	0.6
53.76339	0.6
63.44440	0.6
80.48273	0.7
98.21513	1.6
99.16840	0.6
158.09824	0.6
209.10797	1.1
211.08748	0.7
221.10809	1.1
223.08479	0.6
223.12387	1.5
225.13953	1.2
237.13940	1.3
249.13843	0.9
251.08415	0.8
251.11830	0.7
264.22534	0.6
338.12857	0.8
389.18079	1.3
390.18539	1.2
402.14902	0.9
403.15219	1.8
403.19699	1.4
404.20016	0.8
405.21414	1.0
417.16748	3.4
418.17725	1.5
419.18402	1.1
419.23221	0.7
429.17511	0.9
431.19037	2.0
432.19461	2.6
433.20370	1.9
443.18835	0.9
445.16660	2.5
446.17542	2.7
447.18109	5.4
447.22498	3.4
448.18274	1.2
459.17798	1.1
460.18832	3.7
461.19525	6.3
462.20441	4.6
473.20035	1.1
474.20441	1.0
475.21347	20.4
476.22098	10.0
477.23099	9.1
479.24759	0.9
487.21460	0.8
488.23145	0.7
491.20789	0.9
493.22119	0.7
503.20407	4.2
504.21350	1.0
517.22302	0.9
519.24097	1.2
521.21552	1.2
534.26538	0.8
535.23224	14.7
536.24152	3.2
545.25537	1.2
547.23694	3.0
548.23944	1.3
549.24799	2.0
562.25549	9.3
563.26532	16.0
575.22839	1.5
579.26123	1.8
590.25269	7.6
593.25604	4.1
594.28497	5.6
605.27637	2.7
607.25629	5.4
618.47559	0.8
622.27881	100.0
623.28571	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	622.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	1.5
59.04985	3.6
67.05501	2.5
68.25718	1.4
69.38322	11.3
79.05488	3.1
81.07052	2.6
91.05487	2.0
93.07045	1.9
107.01649	1.4
132.08107	1.6
154.39319	1.3
192.84785	1.7
209.78087	1.3
223.12346	2.7
224.13213	1.3
233.10741	1.6
235.12410	2.0
237.13837	1.5
249.14037	2.1
291.19672	1.5
300.11987	1.8
327.13593	1.7
365.23407	1.6
389.17929	2.1
403.15173	2.8
417.17215	6.3
418.17825	4.3
431.19037	2.9
432.19611	1.9
433.20273	5.1
443.18057	1.6
445.16641	5.3
446.17072	3.4
447.18207	12.3
447.22739	5.1
448.18857	1.7
459.18008	4.1
461.19574	11.4
462.20703	10.3
474.20654	1.9
475.21347	28.5
476.22122	11.8
477.23126	11.7
479.24170	2.2
487.21719	1.9
489.23383	1.8
503.20535	3.8
517.22852	1.6
519.23566	2.2
521.22668	1.4
534.26251	2.6
535.22778	13.7
536.24249	4.9
547.23053	3.2
549.24939	2.3
562.25366	11.4
563.26849	20.0
579.26599	1.7
590.25305	5.9
593.26721	5.9
594.28290	6.2
607.25690	4.6
622.27856	100.0
623.28552	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	622.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.8
55.05503	3.7
57.03418	1.9
59.04991	1.9
65.01229	1.3
67.05506	2.4
69.03425	5.0
69.07068	4.4
69.86088	4.1
70.06601	3.4
71.04991	2.0
79.05497	11.1
81.03467	1.3
81.07058	3.9
83.04985	4.9
85.02895	2.4
86.09673	1.4
91.05490	7.0
93.07055	9.7
95.04962	4.2
95.08632	2.4
97.06516	6.2
98.06046	1.8
99.04465	4.7
103.05489	2.2
105.04530	1.3
105.07040	41.9
107.04963	7.6
107.08617	2.8
109.02824	1.3
109.06545	2.6
111.82576	1.2
115.05400	1.4
115.08720	1.5
117.07044	7.5
119.04905	1.5
119.08599	4.3
121.02954	1.4
121.06515	27.1
124.45003	1.3
125.06006	5.0
128.06209	2.3
129.07031	3.6
130.07773	3.6
131.08556	9.3
133.06499	21.9
133.10150	3.7
135.04388	2.0
135.08070	2.7
137.05962	3.9
139.03923	2.2
141.07018	3.7
142.07835	1.3
143.03398	3.4
143.07043	6.4
143.08569	5.4
144.09377	3.0
145.06477	11.4
145.10126	49.1
147.08029	2.1
151.03879	1.7
151.07538	2.5
151.62361	1.3
153.01848	10.1
153.07008	1.5
154.02222	2.3
154.07784	3.6
155.08543	7.9
157.10234	1.2
157.13043	1.3
158.07280	15.3
159.08072	11.2
159.11690	17.8
161.09596	6.7
169.10133	8.7
171.08067	2.0
172.08841	5.0
173.09631	100.0
179.08600	1.9
182.07375	2.2
187.11188	38.8
191.10698	2.4
197.09639	11.0
205.12256	26.2
215.10690	67.6
226.32529	1.2
233.11736	65.6
251.12743	3.4
301.10941	1.4
302.07541	1.8
307.15417	7.4
309.13388	2.1
319.11923	2.1
337.12811	19.9
355.13989	1.7
411.16586	4.1
622.28015	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.05509	3.1
60.23190	1.5
67.05495	1.5
69.03432	14.1
69.07048	2.6
69.82523	1.3
70.06589	3.3
71.04990	1.9
72.08168	2.5
77.03931	1.7
79.05489	8.3
80.02134	1.4
80.38534	1.5
81.07059	6.6
83.04945	2.0
84.08130	1.3
85.02914	2.0
86.09700	1.6
91.05490	7.9
93.07058	8.9
95.04951	2.2
95.08627	2.7
97.06519	2.8
98.06074	1.4
99.04443	3.3
103.05471	4.0
105.07036	76.6
106.07365	1.3
107.04965	2.8
107.08605	2.4
109.06556	2.8
109.10160	2.7
115.05400	1.6
115.08675	2.0
117.07018	7.6
119.04974	1.8
119.08583	5.2
121.06513	37.1
121.10136	2.4
123.04472	2.7
125.05990	3.7
128.06200	2.5
129.06952	2.6
130.07777	4.1
131.08583	7.8
133.06482	11.1
133.10165	6.8
135.04517	1.7
135.11720	1.6
137.05978	3.1
138.09158	9.2
139.03893	17.7
143.08568	6.0
144.09328	4.1
145.06526	3.0
145.10135	81.8
147.04446	1.9
147.08078	1.3
147.11745	1.8
151.07527	5.1
153.01822	11.5
154.07784	3.1
155.08557	3.0
157.10178	2.2
158.07300	5.9
159.08087	5.3
159.11703	27.6
161.09656	15.3
163.11237	2.7
169.10159	5.8
172.08859	2.4
173.09628	36.9
181.04942	1.6
187.11206	25.3
189.12802	1.4
191.03416	3.5
191.10707	2.6
197.09703	2.8
205.12248	100.0
215.10684	55.5
223.07365	1.4
233.11736	29.8
251.12917	1.4
253.60486	1.3
295.60352	1.5
309.13333	13.4
337.12735	9.4
355.13904	2.0
411.16864	3.2
444.27487	1.4
622.28235	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01869	6.7
55.05516	15.0
57.03440	16.9
57.07075	25.0
60.37747	1.7
67.05177	4.3
67.05506	46.2
68.31473	2.1
69.07066	12.7
71.05016	2.8
71.08633	15.2
71.51689	3.4
72.04492	2.1
76.44804	1.9
78.71255	2.2
79.05490	30.1
81.03388	2.6
81.07064	34.9
83.04984	3.0
83.08625	11.8
85.06530	10.7
85.10182	6.3
85.14649	2.0
89.72934	1.8
91.05485	23.6
93.07050	19.2
95.04971	35.7
95.08615	27.0
97.06537	2.7
97.10191	5.1
105.07033	18.3
107.04959	5.5
107.08595	13.6
109.06521	45.2
109.10159	11.5
111.04437	2.5
111.08054	3.6
113.06023	23.1
115.05530	2.9
117.07037	11.6
119.08575	13.9
121.06560	2.4
121.10148	6.5
123.08084	3.6
128.06253	2.9
129.07005	9.0
131.08553	17.5
133.06519	2.8
133.10141	9.1
135.08069	32.3
135.11642	3.6
139.88615	2.4
143.08577	7.4
145.10139	7.6
147.08017	3.7
147.11734	4.0
147.43642	2.2
149.09653	5.4
157.10127	5.9
159.11662	5.1
161.09641	7.3
163.11208	4.5
169.10141	2.1
171.11659	3.1
175.11218	2.3
177.12816	4.2
183.11699	2.2
195.11815	3.0
195.13751	2.2
211.13251	2.8
217.15921	11.5
227.12675	2.7
237.16058	2.2
238.81296	2.3
255.17603	3.3
273.18521	31.7
291.19550	100.0
292.19922	2.0
309.20605	4.2
310.31229	3.2
313.27377	55.1
347.22137	5.7
365.23169	19.0
509.37885	2.8
533.25598	2.5
561.24908	7.7
585.44458	3.4
603.46057	39.0
621.27167	22.0
621.47534	3.5
622.27197	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	621.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01874	12.8
55.05514	31.0
57.03442	8.8
57.07078	40.4
61.79036	1.2
65.03931	3.5
67.05506	53.3
69.03065	1.6
69.03418	5.3
69.07069	21.5
69.26118	10.1
71.04979	3.5
71.08627	26.5
73.13975	1.3
79.05077	2.1
79.05498	36.5
81.03416	9.8
81.07057	100.0
83.04985	18.4
83.08162	1.5
83.08621	23.2
85.02888	4.1
85.06519	3.4
85.10185	15.0
89.06004	1.5
91.05481	18.1
93.07041	29.4
95.04971	17.1
95.08608	36.7
97.06532	8.2
97.10178	24.5
99.04434	3.8
99.08054	3.2
101.54964	1.1
103.05426	1.7
105.04514	1.3
105.07033	16.8
107.04963	6.5
107.08591	17.5
109.06525	7.5
109.10155	20.5
111.04449	24.0
111.08094	9.9
115.05405	1.4
117.07021	9.8
119.08589	20.2
121.06525	7.6
121.10162	11.2
123.04379	1.4
123.08074	30.0
123.11705	3.4
125.05945	2.6
125.09640	18.6
129.07014	5.1
130.07794	1.3
130.90262	1.4
131.08565	12.8
133.06439	1.2
133.10158	7.0
135.08041	7.4
135.11691	8.9
137.09673	6.5
137.13193	1.5
139.11137	1.9
143.08556	4.5
143.10669	1.6
145.06445	1.5
145.10141	14.2
147.08054	8.6
147.11668	5.0
149.09621	5.7
149.13277	2.1
153.09102	4.9
153.12743	9.6
155.08505	2.2
157.10114	3.5
159.08073	1.6
159.11700	3.4
161.09616	2.9
163.11192	20.1
165.09137	7.5
171.10188	2.9
171.11650	2.2
173.09589	3.3
173.11737	1.3
173.13179	1.9
175.11203	2.6
177.12772	1.6
179.10617	1.2
179.94400	1.5
181.12233	11.1
185.13254	2.2
187.11241	1.7
189.11223	28.3
191.10654	10.8
193.12245	2.8
209.11757	3.6
223.13272	6.2
227.12810	25.2
227.17874	1.3
239.23724	3.6
245.18903	2.1
249.14809	2.3
251.60748	1.3
255.17441	3.9
263.20053	2.1
273.15469	1.9
273.18463	34.1
283.15460	6.1
291.19547	88.2
292.19986	3.0
309.16724	1.5
309.20593	5.1
311.25458	1.4
313.27383	51.7
347.22235	3.5
365.23236	25.2
431.18524	2.1
445.20291	1.6
447.21991	2.1
475.21265	2.1
483.37131	1.3
533.25507	1.7
539.39618	2.3
561.24713	5.0
570.10040	1.4
603.46088	19.5
621.27051	17.7
621.47656	25.8
622.27722	2.1
622.47522	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68236	1.3
53.03932	2.6
55.01861	6.0
55.05511	16.3
57.03426	6.4
57.07076	20.6
65.03935	2.6
67.05509	24.0
69.03431	2.0
69.07069	8.2
69.15864	14.3
69.16286	3.7
71.04975	2.6
71.08613	10.9
79.05081	2.6
79.05497	36.9
81.03403	3.5
81.07060	90.3
82.07388	1.8
83.04987	8.0
83.08628	13.8
85.02891	3.2
85.06535	2.6
85.10169	5.8
86.84466	1.6
91.05475	17.7
93.07048	22.4
93.29392	1.9
95.04970	10.8
95.08614	18.4
97.06503	3.3
97.10162	8.5
98.20782	3.1
99.08128	2.4
105.03401	1.5
105.07032	18.2
107.04931	7.8
107.08588	13.1
109.06524	38.5
109.10155	11.6
111.04430	5.9
111.08081	3.2
117.07014	10.3
119.08585	22.2
121.06519	9.2
121.10160	8.7
123.08060	5.4
123.11750	2.7
125.09618	3.6
129.07014	3.8
131.08560	9.3
133.10155	7.0
135.08081	6.0
135.11696	3.7
137.09625	3.7
139.78311	1.4
143.08528	4.5
145.10136	11.6
147.08046	9.1
147.11725	2.4
149.09575	4.0
151.07463	1.7
153.12711	3.2
157.10130	6.0
159.08002	2.5
159.11685	4.8
161.09665	7.6
163.11163	5.6
165.09109	1.9
171.11658	4.1
171.46346	1.5
173.09612	2.1
181.12331	1.8
183.10197	1.9
185.13284	1.6
189.11249	4.6
191.10739	1.8
197.11723	1.6
213.12753	1.7
223.13329	6.0
227.12770	3.3
239.23831	1.7
243.86177	1.5
245.18979	3.0
249.14816	4.1
255.17508	2.1
258.19406	1.5
268.56372	1.6
273.18488	29.3
291.19547	100.0
313.27371	40.8
347.22180	9.3
365.23297	11.8
509.41284	3.0
585.44781	3.6
603.46252	26.3
621.27081	7.9
621.47125	5.0
622.27728	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
55.01875	8.8
55.05513	14.7
57.03443	21.1
57.07077	26.2
65.03971	2.2
67.05508	56.3
69.03416	1.9
69.07072	14.9
70.68388	3.3
70.68758	2.4
71.04996	4.0
71.08634	16.3
79.05499	28.6
81.03429	2.9
81.07063	33.8
83.04991	2.5
83.08624	9.1
85.06554	13.3
85.10178	10.7
91.05477	27.3
93.07047	23.3
93.26238	1.5
95.04974	42.1
95.08612	25.8
97.06526	3.6
97.10168	5.5
99.08115	1.8
105.04517	2.2
105.07027	23.2
107.04970	9.6
107.08596	21.0
109.06522	56.2
109.10180	10.8
111.08075	2.9
113.06007	29.5
115.05500	3.6
116.06248	2.5
117.07027	11.1
117.07726	1.6
119.08611	8.7
121.06514	6.1
121.10168	6.0
123.08058	4.3
123.11670	3.1
128.06259	2.1
129.06992	7.6
131.08562	17.0
133.06502	3.3
133.10132	9.1
135.08057	46.2
135.11697	6.7
143.08598	10.2
145.10135	12.3
147.08063	7.1
147.11739	2.2
149.05911	1.7
149.09624	5.3
149.13300	3.7
151.11246	1.8
155.08672	2.4
157.10176	5.9
159.08072	2.2
159.11700	5.6
161.09656	6.3
161.13231	2.0
163.11159	3.4
169.10300	1.9
171.11696	3.3
173.13234	3.1
175.11165	4.3
177.12848	3.4
185.13342	2.1
187.11188	2.0
195.13773	1.5
199.14813	3.2
199.76675	1.7
217.15857	13.4
239.23625	2.3
245.19070	4.6
253.14456	2.3
255.17522	4.2
273.18488	39.3
291.19556	100.0
309.20569	3.0
313.27353	42.6
347.22263	4.5
365.23260	10.6
419.22293	1.6
509.40927	2.0
561.25000	3.0
575.41791	2.5
585.45020	4.8
587.57001	1.8
603.46191	29.9
621.27069	10.6
621.47253	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
54.74031	1.7
55.01871	14.8
55.05512	37.3
57.03437	9.0
57.07076	39.0
65.03929	2.8
67.05507	55.3
67.25308	1.6
68.80006	1.6
69.03035	2.3
69.03409	4.9
69.07067	25.9
70.33929	3.3
70.34319	2.9
71.04981	4.7
71.08633	27.7
76.19139	1.6
77.03920	1.7
79.05492	43.0
81.03404	8.1
81.07057	100.0
82.98242	1.4
83.04980	18.5
83.08619	25.9
85.02892	4.6
85.06544	3.6
85.10180	13.6
91.04974	2.3
91.05480	20.6
93.07049	29.5
95.04967	25.8
95.08611	43.3
97.06520	8.6
97.10172	26.4
99.04456	4.5
99.08097	3.9
101.30949	1.6
105.07038	24.0
107.04951	6.3
107.08594	18.1
109.02837	2.3
109.06512	7.1
109.10148	23.3
111.04430	23.4
111.08065	10.6
115.05490	1.8
117.07029	8.8
119.08586	22.2
120.78580	1.7
121.06518	7.6
121.10141	13.1
123.08075	28.3
123.11749	3.4
125.09649	17.8
128.06183	2.2
129.07050	3.2
131.08588	11.2
133.06429	2.1
133.10132	7.6
135.08054	7.0
135.11697	10.7
137.09595	7.0
139.07458	1.8
143.08542	3.5
145.06421	2.1
145.10138	13.5
147.08052	7.2
147.11702	5.1
149.09616	10.6
151.11134	2.0
153.09077	2.6
153.12714	9.3
155.08565	2.1
157.10130	3.5
159.11681	3.7
161.09587	4.9
163.11180	21.4
165.09135	8.8
171.10211	3.2
171.11639	2.0
173.09558	3.3
175.11311	1.9
177.12738	1.8
181.12218	12.3
183.09982	1.6
183.11630	1.7
184.87227	1.6
185.13263	2.3
187.11191	3.1
189.11211	28.7
189.12733	3.3
189.28156	1.8
191.10709	10.3
193.12259	4.5
194.58292	1.7
205.12411	2.0
209.11778	3.8
211.13216	2.1
215.55055	1.7
223.13338	14.1
227.12790	23.8
239.23685	5.6
245.18968	2.7
249.14926	2.2
255.17490	3.1
257.24835	2.2
263.19971	3.2
273.15820	2.9
273.18515	32.3
275.20056	9.6
283.15280	4.6
291.19559	87.7
293.21039	5.1
309.20505	3.1
311.25638	8.7
313.27380	51.2
347.22128	4.5
365.23181	31.0
367.24759	4.5
419.22238	3.6
431.18570	3.3
433.20004	2.0
445.19962	3.5
446.20938	3.1
447.21942	4.2
463.83044	2.3
475.21060	4.6
533.25568	5.9
561.24963	15.5
593.27368	2.7
603.37512	2.1
603.46161	24.8
621.27057	45.5
621.47815	25.6
622.27002	5.7
622.37347	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	24.9
55.01863	10.7
55.05516	59.1
57.03443	22.2
61.02926	9.2
67.05508	83.0
69.03410	25.4
69.07058	23.8
69.28297	41.7
69.28722	29.7
71.04999	10.2
79.05502	75.9
81.03420	68.8
81.07067	74.9
83.04966	24.6
83.08620	39.2
85.02898	27.5
91.05484	65.2
93.07053	39.5
95.04964	19.3
95.08613	26.7
97.02897	34.7
97.10162	33.0
98.20761	15.8
101.02409	8.9
103.05476	20.9
103.14595	8.5
105.07039	59.0
107.04944	16.4
107.08595	28.9
109.02882	24.1
109.10170	31.8
117.07013	64.3
119.08555	24.3
121.06441	13.0
121.10152	14.1
123.04420	10.5
123.08097	8.4
125.09627	35.5
128.06195	18.6
129.07005	42.4
131.08586	48.0
133.06503	18.4
133.10136	9.1
135.08058	14.2
141.07025	17.5
143.08617	20.4
145.06497	12.0
145.10162	21.1
147.08052	12.1
149.09677	12.5
155.08524	18.9
157.10182	10.6
159.08083	9.7
159.11627	10.9
163.11240	8.5
167.08513	9.6
169.10190	12.8
171.08104	9.3
171.11670	15.3
173.04482	10.3
173.09610	9.9
173.13316	8.9
189.11241	17.3
197.13232	20.0
209.13440	10.4
213.12727	13.0
215.14378	39.0
221.13264	9.8
227.12833	13.4
233.15422	9.6
241.12364	10.6
288.67484	10.6
318.34259	8.8
367.23007	19.3
385.23810	12.4
441.26578	41.5
450.48804	9.9
459.27310	68.5
501.27844	11.4
603.31287	17.8
621.32880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01867	10.7
55.05516	28.8
57.03437	4.9
57.07077	39.9
65.03571	1.9
65.03928	4.0
67.05177	4.0
67.05507	49.1
69.03432	2.6
69.07068	21.9
71.04979	5.6
71.08637	29.2
71.11678	4.8
79.05497	46.4
81.03416	6.5
81.07059	100.0
83.04983	18.4
83.08625	21.6
85.02935	4.8
85.06541	2.2
85.10176	15.4
91.05484	24.8
93.07045	23.9
95.04961	17.7
95.08607	39.1
97.06532	9.2
97.10169	27.4
99.04468	4.0
99.08102	2.2
105.07037	19.4
107.04964	9.3
107.08594	19.1
109.06531	10.3
109.10161	16.6
111.04459	20.0
111.08105	10.5
117.07022	10.7
119.08562	20.5
121.06507	9.1
121.10162	13.6
123.08064	34.7
123.11695	4.8
125.09627	18.9
129.06993	5.0
131.08556	10.7
133.06487	2.3
133.10132	5.6
135.08035	6.2
135.11684	11.4
137.09631	5.1
137.13350	2.4
143.08578	5.6
145.10167	13.9
147.08083	6.4
147.11711	5.1
149.09610	5.5
151.07542	5.3
153.09157	3.9
153.12778	10.0
155.08574	3.3
157.10147	3.9
159.11642	3.8
161.09641	5.8
163.11198	19.4
165.09094	8.5
169.10170	1.8
173.09555	3.3
175.11229	3.6
181.12186	11.1
189.11252	28.0
191.10646	9.5
193.12242	3.2
209.11671	2.9
223.13382	8.4
227.12819	18.8
239.23616	4.5
245.18994	3.1
249.14946	2.3
255.17552	2.5
273.18491	30.3
277.45026	2.0
283.15384	4.7
291.19550	77.2
309.20740	5.8
313.27380	53.1
347.22076	4.0
365.23199	22.7
417.21353	2.1
420.52209	2.2
475.21103	2.3
535.23474	3.2
561.25220	6.2
590.20062	2.3
603.46368	20.6
621.28223	15.3
621.47321	24.8
622.27991	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	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.01542	0.3
55.05499	0.3
66.95766	0.3
67.05501	0.6
67.98711	0.3
69.17577	0.3
71.64594	0.3
79.05511	0.6
91.37569	0.3
98.20837	1.2
98.21505	0.8
105.07020	0.5
109.06511	0.6
131.08527	0.5
156.08014	0.4
172.03928	0.4
183.09357	0.5
198.26041	0.4
203.33046	0.3
209.10910	0.4
221.10823	0.4
351.51874	0.4
374.15692	0.6
375.16183	1.2
376.18005	0.4
387.16705	0.7
388.16980	1.2
389.17703	3.2
390.18253	1.7
391.19119	0.8
401.17764	1.3
402.18878	1.9
403.15433	0.7
403.19482	6.1
404.20065	2.6
405.20834	2.8
415.19638	0.7
416.16434	1.3
416.20544	1.0
417.17081	3.9
417.21069	3.2
418.17148	0.6
418.21826	1.2
419.22464	9.4
420.22803	0.6
430.17853	1.3
430.22778	0.5
431.18152	8.0
431.23651	0.6
432.19080	3.3
433.20044	2.4
443.18832	1.0
444.19638	0.9
445.20276	6.4
446.20990	7.1
446.26541	0.5
447.21884	11.3
447.27798	0.6
448.22711	0.5
459.17316	0.9
459.22040	2.0
460.23050	1.0
461.19806	1.5
463.21417	0.6
473.19522	1.6
473.24252	1.1
474.20432	7.3
475.21289	8.9
478.23727	0.4
486.20529	0.5
487.21475	3.5
488.22318	0.8
490.23770	0.5
491.20346	1.8
501.23196	2.5
503.21249	0.6
505.25714	1.2
518.23090	0.8
519.20715	1.1
529.22473	0.9
533.25623	16.4
546.23029	0.5
561.24976	21.6
562.25500	1.3
565.27844	0.5
589.24561	1.1
593.27673	3.9
621.27106	100.0
622.27191	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	621.2708
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05508	0.6
55.21957	0.3
57.07086	0.6
67.05495	1.5
67.70495	0.4
69.37511	0.8
69.37918	1.9
71.08621	0.5
79.05505	0.8
81.07053	1.5
83.08617	0.4
89.85850	0.3
91.05472	0.5
93.07052	1.3
95.08630	0.9
105.07043	0.8
107.08619	0.7
113.00056	0.4
119.08584	0.7
121.06491	0.4
131.08611	0.5
133.10143	0.4
135.11595	0.4
143.08569	0.6
165.88142	0.4
291.19705	0.4
341.75031	0.4
372.14758	0.4
373.14627	0.5
374.15610	0.5
375.16217	1.0
387.16379	0.9
388.16986	1.0
388.48761	0.4
389.17694	3.2
390.18521	1.0
391.19339	0.7
401.17648	0.9
402.18594	1.6
403.19272	3.9
404.20081	2.3
405.20941	1.2
415.19388	1.1
416.16156	0.8
417.17120	2.0
417.21054	1.7
418.21750	0.7
419.22397	4.7
420.22928	0.6
427.19534	0.5
429.21301	0.7
430.17502	0.9
430.22406	0.6
431.17972	3.7
431.23184	1.3
432.19519	1.2
433.20212	0.8
445.20773	4.1
446.20975	2.3
447.21933	6.4
458.21408	0.6
459.18274	3.2
460.18887	1.1
461.19507	2.5
462.20438	0.6
472.18985	0.5
473.19473	1.3
473.24780	0.7
474.20493	6.8
475.21286	11.6
476.22476	0.4
477.23187	0.4
485.19785	0.4
487.21286	3.8
488.22437	0.8
501.22711	3.1
502.23859	0.5
503.21347	0.5
505.25894	1.2
509.36328	0.7
518.23132	1.2
519.20392	0.6
529.22375	0.9
533.25684	6.7
546.23041	0.7
561.24976	30.0
562.25562	0.8
565.27563	0.4
589.24506	1.2
593.27655	0.6
621.27087	100.0
622.27350	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	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
69.15337	4.3
81.75455	0.4
96.94485	0.4
145.39793	0.4
155.78513	0.5
233.10568	0.4
327.13449	0.5
374.15494	0.5
375.16068	0.5
387.15967	0.9
388.16818	1.0
389.17734	2.4
390.18530	1.0
391.19427	0.6
401.17914	0.8
402.18634	0.8
403.19464	4.3
404.20169	2.1
405.20944	2.6
415.19455	0.8
416.16431	1.4
417.16287	3.7
417.21252	1.7
418.21951	0.8
419.22357	6.0
420.23083	0.6
430.17694	1.1
431.18253	5.9
432.19199	3.2
433.20239	1.8
445.20129	5.5
446.21008	6.4
447.21774	9.9
448.22409	0.5
458.21112	0.5
459.17352	0.7
459.21945	2.7
460.22864	1.0
461.19788	1.4
473.19223	0.8
473.24371	0.6
474.20319	6.4
475.21283	7.4
475.27588	0.6
478.23651	0.7
487.21255	3.5
488.22083	1.1
491.21045	1.6
492.25391	0.5
501.22958	1.7
505.26074	0.9
519.20703	0.7
533.25543	14.5
534.26385	0.9
539.25745	0.5
561.24976	20.3
562.25861	0.5
565.27667	0.5
589.24829	1.4
593.27509	4.1
621.27106	100.0
622.27399	4.4
625.61066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
65.47170	0.5
73.77380	0.4
80.30028	0.5
94.60679	0.5
99.72884	0.5
192.07480	0.5
209.10748	0.8
223.12244	0.6
272.11658	0.5
298.76328	0.5
362.92865	0.5
363.12170	0.7
374.15231	0.9
375.16238	1.4
386.16052	0.6
387.16147	1.5
388.16953	1.9
389.17694	4.8
390.18375	2.0
391.19144	1.7
400.17120	0.8
401.17642	1.6
402.18869	3.1
403.19360	7.2
404.20187	3.8
405.20831	2.3
413.17288	0.9
415.19296	1.5
416.16202	2.1
416.20679	1.1
417.16071	6.1
417.21091	3.7
418.16959	0.8
418.21497	1.9
419.17889	0.6
419.22482	9.9
420.22864	0.8
429.16714	1.0
429.21637	0.6
430.17368	3.2
431.18094	10.5
431.23560	0.9
432.19110	3.0
433.20477	1.7
443.18674	1.4
444.19662	1.2
445.20123	9.2
446.21033	7.2
447.21786	12.6
448.22964	1.0
457.20636	0.7
458.20892	0.8
459.17236	1.6
459.21927	2.8
460.18066	1.0
460.23352	0.9
461.19589	1.6
473.19000	0.8
473.23917	1.0
474.20526	14.3
475.21381	18.0
476.21594	1.0
487.21243	3.8
488.22037	2.0
490.23358	0.8
501.22800	3.3
503.20236	0.6
504.21625	0.6
505.26010	1.7
519.21552	0.6
520.24231	0.8
529.22333	0.9
533.25513	14.1
546.23077	1.0
561.25000	93.9
562.25421	2.7
589.24396	2.6
593.27655	4.5
621.27094	100.0
622.27533	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	619.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.4
51.02378	0.8
53.00309	0.2
53.03950	0.1
55.01868	0.2
55.05492	0.1
65.00307	0.1
67.05503	0.2
67.79173	0.1
68.99796	0.2
69.03430	0.4
69.67319	0.3
69.67732	0.3
70.06587	0.2
71.05014	0.1
79.01857	8.0
79.05499	0.1
80.02196	0.1
81.03407	0.6
81.07050	0.3
83.08658	0.1
85.02911	0.1
87.00842	0.2
91.05491	0.2
93.07038	0.2
95.01336	0.1
95.08617	0.1
97.02907	1.5
105.07059	0.2
107.01326	1.5
107.08577	0.2
109.02897	0.6
109.10170	0.1
119.04955	0.1
119.08549	0.1
121.06525	0.1
121.10176	0.1
123.00809	0.4
125.02354	3.3
125.03275	0.2
125.09685	0.1
127.03921	1.5
137.05998	0.3
143.03403	7.2
145.10094	0.1
153.01837	100.0
153.02898	6.7
154.02165	1.2
159.04382	0.1
165.09232	0.1
177.05411	0.1
189.05453	0.1
191.03340	0.1
205.04985	0.1
233.04449	0.6
243.02997	0.1
261.03973	0.5
279.05045	0.6
297.06039	0.3
305.02850	0.2
309.32260	0.1
449.07376	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.6
51.02389	0.7
52.14518	0.1
53.00318	0.2
53.03944	0.2
55.01869	0.4
55.05507	0.2
55.85802	0.1
59.02338	0.1
59.05002	0.8
67.05506	0.4
68.99781	0.3
69.03442	0.7
69.07069	0.3
69.81555	0.5
70.06604	0.7
71.04984	0.1
71.06929	0.1
72.08119	0.1
79.01859	6.5
79.05493	0.5
81.03423	0.7
81.07052	0.7
81.45467	0.1
83.04966	0.2
84.08112	0.2
85.02898	0.3
86.09692	0.5
87.00835	0.2
91.05479	0.3
93.07051	0.5
95.01327	0.2
95.04963	0.3
95.08621	0.6
97.02896	1.5
97.10191	0.2
98.21478	0.2
105.07029	0.4
106.01374	0.1
107.01324	1.3
107.05000	0.5
107.08586	0.3
109.02866	0.7
109.06508	0.1
109.10154	0.3
111.04433	0.2
116.07096	0.1
117.03355	0.2
118.18382	0.1
119.04933	0.3
119.08596	0.3
121.02856	0.2
121.06506	0.4
121.10169	0.3
123.00809	0.4
123.04439	4.1
123.08092	0.1
125.02366	3.2
127.03931	1.8
131.04886	0.1
131.07123	0.6
131.08588	0.2
135.04405	0.9
135.11681	0.2
137.05975	0.3
137.09627	0.2
139.11174	0.2
143.03406	6.9
145.02890	0.3
145.10139	0.2
147.04434	1.0
147.11642	0.1
149.06071	0.1
151.03952	1.3
151.07542	0.2
153.01842	100.0
153.02904	6.6
154.01073	0.2
154.02109	0.6
157.10178	0.1
159.04468	0.1
161.06003	0.2
161.09581	0.1
163.03908	1.4
164.07031	0.1
165.05501	0.5
165.09134	0.2
177.05518	0.8
183.14964	0.2
189.05496	0.2
191.03409	9.8
203.03435	0.4
205.05064	0.3
217.05048	0.2
233.04456	0.5
243.02875	0.1
261.03946	0.4
273.07745	0.3
279.05109	0.5
285.07489	0.3
297.06061	0.3
305.03027	0.4
315.08759	1.4
319.76718	0.2
325.07404	0.3
327.08533	0.4
335.22394	0.1
343.08200	0.8
390.11514	0.1
436.22464	0.2
449.07141	1.0
449.12686	0.4
467.13458	0.2
618.38086	0.7
619.28790	0.2
619.37158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.0
55.01868	6.7
55.05516	45.6
57.07076	7.5
58.21220	2.4
59.05006	2.7
65.03943	6.4
67.05506	37.2
69.03429	15.0
69.07076	17.5
71.04982	8.3
77.26753	2.7
79.05496	47.8
81.07062	48.1
83.04989	22.7
83.08145	5.4
83.08623	64.4
85.02887	5.0
85.06541	8.5
87.04466	4.9
91.05481	56.8
93.07051	69.8
95.04976	33.4
95.08612	35.8
97.06529	24.0
98.21450	6.7
99.04476	4.8
103.05486	3.8
104.10768	6.0
105.04520	3.7
105.07043	100.0
107.04953	6.0
107.08597	78.2
109.06535	16.4
109.10153	31.7
111.08099	8.0
113.09647	12.1
115.05455	5.7
117.07016	26.4
119.08588	82.4
120.60559	2.9
121.06501	17.4
121.10149	56.1
123.08075	22.7
123.11729	8.9
125.09634	16.2
128.06238	17.7
129.07005	27.7
129.16542	2.8
130.07803	12.4
131.08566	48.1
132.09363	9.5
133.06514	3.9
133.10143	58.8
135.08080	16.5
135.11697	10.6
137.09584	6.2
139.11240	14.7
141.06985	12.7
142.07774	30.4
143.08568	53.7
144.09360	15.2
145.06462	8.5
145.09058	5.3
145.10133	73.0
146.07259	3.0
147.08018	13.0
147.11690	20.4
149.09633	20.3
149.13231	6.4
151.11200	3.8
153.01819	6.2
153.06984	4.9
154.07831	6.4
155.08592	26.5
155.10643	13.7
156.09343	29.4
157.10133	72.3
158.10916	8.6
159.08081	19.2
159.11693	34.1
160.08830	14.0
161.09641	14.8
161.13255	3.7
163.11223	8.6
165.07019	9.9
166.07712	6.4
167.08563	14.3
167.10669	18.6
168.09357	8.0
169.10158	34.5
169.12234	4.9
170.10933	9.5
171.10310	5.0
171.11708	37.8
172.12543	5.2
173.09631	12.2
173.13277	22.8
175.11188	10.7
175.14830	3.0
177.12714	3.8
179.08551	14.0
179.14366	4.5
180.09317	7.9
181.10205	20.2
181.12256	27.8
182.10910	15.4
183.11713	30.9
184.12555	5.2
185.09647	6.5
185.13321	19.3
186.14037	4.9
187.11214	7.9
187.14853	11.1
189.12784	10.2
190.13574	3.1
191.14354	9.6
193.10152	17.5
194.10904	11.4
195.11710	29.4
196.12492	10.1
197.09683	4.8
197.13278	44.3
198.14043	4.9
199.11240	4.1
199.14853	14.5
201.12727	4.2
201.16362	4.6
203.14313	8.5
205.10152	3.9
206.10954	5.8
207.11729	16.2
207.13620	5.1
208.12431	8.4
208.14424	4.4
209.13297	29.8
209.15208	3.8
210.14069	5.8
211.11169	3.5
211.14883	22.4
213.12840	9.3
213.16321	7.0
215.14337	18.9
218.16599	3.6
219.11722	9.7
220.12473	4.0
221.13263	15.3
221.15407	17.7
222.13933	4.9
223.11371	3.1
223.14890	14.9
225.12703	7.6
225.14894	11.8
225.16664	7.0
227.14392	7.2
229.15952	5.3
231.11726	5.7
231.17476	3.3
232.12466	4.4
233.13243	7.8
233.15335	43.7
234.14073	4.8
234.16190	3.1
235.14848	13.8
236.15392	4.6
237.16487	14.3
239.17950	4.4
241.15862	4.3
243.11725	3.1
243.17543	3.1
244.12601	3.4
245.13203	6.7
247.14783	6.9
247.16986	7.0
249.16426	10.3
251.18004	4.5
253.15886	4.8
253.19684	3.7
255.17450	39.3
257.18777	3.5
259.14822	7.9
259.17178	3.0
260.15485	4.3
261.16473	8.0
263.17905	8.2
265.15891	3.5
265.19510	5.1
268.18381	4.5
269.18942	5.8
270.19864	13.0
271.17084	4.6
271.20630	4.8
273.18597	6.6
275.17920	5.9
277.19595	6.0
279.17416	5.8
281.19034	4.2
282.19812	5.5
283.20416	5.3
285.18689	4.2
286.19345	3.4
287.17911	4.2
294.19943	4.4
295.20428	4.8
297.22345	3.4
299.20096	8.4
305.19263	2.8
311.20297	4.9
337.25253	7.8
345.21967	3.8
349.25116	7.5
360.24374	4.8
361.25159	4.0
365.24875	6.3
367.26495	6.0
383.25925	11.9
399.27252	3.2
415.30142	3.3
457.31073	4.8
618.23505	3.2
618.42792	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	618.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07748	0.3
55.05495	0.5
67.05508	0.8
69.03423	0.6
69.07068	0.6
70.06593	0.6
71.51576	0.3
71.51981	0.4
76.19337	0.4
78.04729	1.0
79.01852	0.7
79.05495	1.1
81.03397	0.6
81.07052	0.9
83.05018	0.5
83.08617	0.5
84.04500	0.5
84.65446	0.4
85.02901	0.6
91.05469	1.4
93.07041	1.4
95.04949	0.7
95.08615	0.6
103.05453	0.5
105.02714	0.4
105.07024	1.6
106.04145	0.8
107.04967	2.1
109.06537	0.4
119.08580	0.7
121.06499	1.2
121.10165	0.6
123.04440	4.3
124.05202	1.6
125.02245	0.4
127.03878	0.5
131.04974	0.4
133.06494	1.2
133.10188	0.5
137.05995	0.8
143.03387	0.5
149.06036	0.7
151.03899	0.8
151.07568	0.9
152.04680	1.0
153.01845	10.8
153.02972	0.5
161.05983	1.6
161.09694	0.4
163.07555	0.7
166.06252	0.4
167.07047	100.0
168.07384	1.0
179.07043	0.4
181.08591	3.3
189.09135	1.0
191.07066	0.4
193.08601	3.7
207.10139	0.4
211.09679	9.1
343.15244	0.4
361.16476	5.3
371.15005	0.5
438.55795	0.4
551.37579	0.4
618.30103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40216	0.9
71.49935	1.4
74.02443	1.2
91.05492	1.2
115.05406	0.9
117.05740	1.4
117.07005	1.3
118.06551	21.0
118.65792	0.8
121.06521	2.5
130.06520	1.5
132.08087	5.3
139.03967	1.3
142.06523	3.1
143.07309	2.2
144.08102	10.5
146.06021	63.3
147.06433	0.9
153.01845	2.1
159.09213	5.6
160.07570	1.0
170.06090	5.1
188.07082	100.0
189.07417	1.3
205.09727	42.6
220.65674	1.0
222.07869	0.8
248.15717	0.8
303.05139	2.8
617.12799	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01871	1.7
55.05280	1.3
55.05522	19.7
57.03243	1.0
57.03440	11.0
57.07080	43.9
60.26934	1.6
65.03944	1.7
67.05511	50.5
69.07076	22.4
71.04979	5.0
71.08638	29.8
71.12122	2.5
73.84383	1.4
79.05499	38.6
81.06588	2.7
81.07063	52.5
83.04995	2.3
83.08625	15.7
85.06551	5.2
85.10189	19.5
91.05490	51.1
93.07047	44.0
95.04977	4.1
95.08614	46.3
97.06532	4.0
97.10165	9.8
99.08090	2.3
103.05454	1.5
105.06297	2.7
105.07036	55.1
107.08599	27.4
109.06515	1.9
109.10153	18.6
111.11697	3.5
113.09682	2.0
117.07021	13.1
119.08595	49.2
121.10165	18.7
123.11732	7.1
125.09633	3.8
128.06171	1.8
129.07022	8.5
130.07848	1.6
131.08577	26.5
133.10138	45.9
135.08049	2.2
135.11700	19.3
137.13249	2.6
142.27977	1.4
143.08577	9.0
144.09303	1.9
145.10136	20.8
147.11703	47.6
149.09633	3.7
149.13266	12.5
157.10127	10.5
159.11696	20.9
161.09651	2.8
161.11984	2.9
161.13269	38.5
163.11240	1.7
163.14801	4.0
171.11705	13.5
173.13295	13.0
175.14853	16.6
177.05554	2.0
177.12794	2.4
185.13266	11.6
186.72816	1.5
187.14899	7.8
189.12837	1.7
189.16481	1.8
191.14168	1.5
199.14856	7.5
201.16431	2.3
213.16408	3.0
215.17934	2.3
231.17435	1.8
231.21121	9.9
232.21974	1.4
241.19530	46.9
259.20599	100.0
267.26886	4.7
277.21552	2.3
315.23285	6.2
333.24249	48.9
334.25122	1.7
341.30524	95.9
342.30600	1.7
351.25208	2.1
385.08469	1.5
388.45804	1.7
388.99948	1.4
505.38873	4.6
593.95465	1.6
599.50092	11.4
617.51471	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	617.1138
Annotation	Myricetin 3-(4''-galloylrhamnoside)
Peak:m/z	Relative Intensity
51.02364	0.6
66.71825	0.3
69.98868	1.3
69.99264	0.7
79.01858	3.5
83.04985	2.1
85.38076	0.3
97.02898	1.3
98.20786	0.4
106.88049	0.3
107.01315	0.9
111.04435	0.8
116.62162	0.3
125.02354	2.1
138.24303	0.3
138.76044	0.3
141.87186	0.3
143.03401	4.0
153.01839	100.0
153.02856	4.4
154.02197	0.8
198.17755	0.4
202.66853	0.3
206.52084	0.3
219.19980	0.4
245.04494	0.5
299.07599	3.8
303.05014	3.4
319.04553	4.4
320.54575	0.3
391.13110	0.3
596.60016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1139
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
51.02382	0.7
51.47886	0.2
53.03936	0.8
55.01874	0.6
57.03429	0.4
59.20988	0.2
65.03932	0.2
65.19357	0.2
68.99787	0.5
69.03431	2.4
70.03309	1.1
71.04993	0.4
79.01852	4.3
81.03420	8.1
85.02911	2.1
97.02890	4.6
99.04475	0.9
101.94082	0.2
107.01323	1.3
109.02884	4.6
111.00829	0.4
121.02842	0.6
125.02364	2.9
127.03925	5.1
137.02347	2.2
143.03397	4.4
145.04999	0.9
149.02281	0.3
153.01836	100.0
153.02852	4.8
154.02184	0.8
163.04013	0.3
165.01794	1.1
171.02890	8.9
183.02849	0.4
185.82680	0.3
187.03957	0.4
201.05428	1.1
219.06485	0.2
229.04929	2.3
230.05502	0.3
247.06015	0.4
255.05078	0.2
257.04367	2.0
269.39670	0.2
274.04807	0.4
285.03967	0.9
297.06058	9.5
297.09433	0.5
303.04999	62.9
304.05429	1.3
315.07114	2.4
321.87939	0.2
345.06036	0.3
447.56671	0.2
480.10089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1141
Annotation	Quercetin 3-(2''-galloylgalactoside)
Peak:m/z	Relative Intensity
53.03926	0.5
60.20752	0.5
69.03437	9.0
69.07060	0.5
71.05923	0.9
72.85510	0.6
79.01846	2.4
79.05498	0.7
85.02942	0.6
97.02891	2.0
107.01335	0.6
109.02899	0.8
125.02353	1.5
127.03941	5.0
135.52090	0.7
137.02361	1.0
143.03418	3.9
153.01840	100.0
153.02861	4.6
163.03944	1.7
165.01909	0.7
171.02901	1.3
179.03423	1.1
191.03423	2.4
205.04997	1.2
207.02914	1.2
229.04993	0.9
233.04468	1.2
233.87697	0.6
237.03896	2.9
257.04407	1.1
279.05191	0.6
297.06091	4.8
303.05014	27.6
315.07123	5.0
536.13525	0.6
617.23480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1137
Annotation	Myricetin 3-(4''-galloylrhamnoside)
Peak:m/z	Relative Intensity
63.92530	0.6
69.03446	1.2
79.01846	4.0
83.04977	1.5
85.02906	0.8
93.97479	0.6
97.02869	0.7
100.73579	0.6
107.01321	0.8
111.04439	1.1
114.70478	0.6
125.02332	1.9
143.03383	4.6
153.01840	100.0
153.02881	5.1
158.29811	0.7
165.01848	0.7
207.02954	1.4
219.06563	1.2
227.15082	0.8
244.10010	0.6
257.04233	0.7
263.05649	0.7
269.04874	0.7
281.06561	3.8
287.04886	0.6
297.03967	1.2
299.07544	3.4
303.04941	2.9
315.05200	1.7
319.04416	4.1
329.02832	3.2
331.04630	4.1
343.04471	8.6
361.05652	7.5
385.05759	1.3
411.07196	1.4
429.08008	1.8
447.09201	2.4
465.10361	2.6
468.39963	0.6
513.06427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07337	0.6
55.05502	2.2
57.07078	46.5
59.05005	16.5
67.05505	1.4
69.07063	2.7
71.08634	81.6
71.51711	0.8
73.06558	3.7
79.05495	1.6
79.30560	0.7
81.07056	1.5
83.08620	0.9
85.02941	0.7
85.10185	43.9
86.10509	0.8
87.04472	11.2
89.06035	100.0
91.05492	1.4
93.07051	1.6
95.08619	1.5
97.10145	1.0
103.07590	6.1
105.07050	1.6
107.07087	1.2
107.08570	1.2
109.10220	0.9
111.11758	0.9
117.09131	3.3
119.08613	1.0
121.06507	2.5
127.14834	5.3
130.08659	2.1
131.07042	5.2
133.08609	71.9
135.10207	1.0
136.97682	0.7
153.01862	1.0
167.17995	0.8
175.09654	3.3
175.11081	0.6
175.82910	0.7
177.11226	27.1
179.12819	0.7
185.19035	6.8
219.12108	1.0
221.13789	5.3
221.15552	0.7
229.21616	4.8
239.14949	1.2
265.16531	1.3
278.60135	0.7
283.17596	2.2
309.19116	1.3
327.20056	1.6
371.22919	1.9
415.25394	10.9
415.62662	0.7
455.28375	0.9
570.38562	1.2
599.43756	2.3
616.46228	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1143
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
50.30317	0.2
55.01852	0.3
55.05500	0.2
57.03428	0.2
67.01855	0.7
67.05501	0.3
67.12542	0.2
68.99794	0.4
69.03419	0.5
69.07053	0.2
70.06596	0.4
72.08159	0.2
79.01869	0.8
79.05462	0.1
81.03417	0.5
81.07040	0.4
83.05003	0.4
84.04482	0.2
84.08140	0.3
85.02898	0.4
91.05488	0.5
93.07057	0.3
95.04961	0.2
95.08608	0.4
97.02883	0.7
101.32694	0.1
105.03456	0.3
105.07034	0.3
107.01284	0.3
107.08576	0.2
109.02883	0.3
109.10148	0.2
111.00781	0.2
111.08031	0.2
117.06998	0.2
119.08601	0.2
119.43504	0.2
122.06071	0.2
125.02355	0.6
127.03931	0.4
133.02870	0.4
133.10127	0.2
139.03899	0.4
140.07074	0.4
143.03413	0.4
147.04433	0.2
148.07622	0.2
151.03944	1.6
153.01843	18.8
153.02901	0.8
163.03926	0.3
167.07088	0.3
171.02882	0.8
173.13290	0.2
177.01846	0.5
177.05295	0.2
179.03253	0.2
195.02957	0.4
203.03374	0.9
205.05020	0.2
229.05014	0.9
229.58604	0.1
257.04449	1.7
285.03989	0.9
287.13843	0.2
297.06198	0.5
299.07623	0.3
303.05014	100.0
304.05411	1.4
319.04495	0.4
343.04501	0.2
358.17819	0.2
361.05515	0.3
465.10434	0.3
524.49725	0.2
578.84692	0.2
617.10669	1.2
617.27271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84320	0.5
55.05515	0.9
67.05504	1.5
68.05043	0.9
69.03444	0.5
69.07071	6.2
70.06595	100.0
71.51300	0.7
71.51675	0.5
72.08167	3.1
79.05476	0.9
81.07069	0.8
83.08651	0.5
84.08153	2.0
85.02924	0.5
86.09708	50.3
91.05495	1.5
93.07087	0.9
95.08639	0.5
97.02928	0.7
98.06078	1.4
104.83967	0.6
105.07053	1.0
107.05000	1.2
107.08633	0.9
109.06528	0.6
114.09226	1.0
119.05054	0.5
120.08138	0.8
121.06538	1.7
125.07146	1.2
133.06511	0.8
135.07996	0.5
139.03961	0.7
147.04425	0.6
148.07565	4.7
150.09174	0.9
152.08231	0.8
153.01830	3.6
154.02182	0.9
159.08015	0.6
160.07643	1.4
161.09677	1.0
163.03944	0.5
165.13918	0.6
167.15421	0.8
179.11830	1.2
183.14938	39.0
185.09639	1.8
186.75760	0.7
187.11270	0.7
189.09158	4.6
194.08086	4.5
199.17992	4.7
202.12305	7.5
204.13872	0.5
206.08203	1.4
211.14432	19.4
213.09096	1.1
219.15001	1.3
220.13338	1.1
227.17435	0.7
231.10150	5.2
248.12828	13.8
265.15482	5.7
280.13712	0.7
324.22855	5.3
326.18674	0.9
327.17319	0.6
344.19696	8.1
345.18311	1.5
361.21228	4.6
362.21103	0.9
390.20258	5.3
439.27246	1.5
451.22751	1.0
457.28040	2.5
458.26523	1.7
469.23859	1.5
485.27533	1.0
503.28656	8.7
571.34863	7.7
588.37598	3.2
598.36163	2.1
616.37061	92.7
617.36627	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	616.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.2
53.03947	0.6
71.50966	0.3
71.51343	0.3
77.03928	0.3
78.41676	0.2
79.01881	0.5
85.64488	0.2
91.05488	3.0
93.07053	3.8
95.04958	0.4
97.02897	0.3
103.05486	2.3
105.04521	0.5
121.06512	100.0
122.06853	0.9
125.02394	0.2
139.03880	0.3
143.03337	0.4
147.04388	0.5
153.01834	16.5
157.49532	0.2
161.97655	0.2
165.05476	3.3
259.25592	0.2
273.07578	10.8
274.07898	0.3
290.10242	27.6
291.10507	0.3
303.05066	0.7
308.11328	1.5
324.10928	0.6
351.99246	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20716	0.2
52.88403	0.2
53.03939	0.6
57.39634	0.2
64.86471	0.2
65.03941	0.2
66.88310	0.3
67.62534	0.2
69.90927	1.2
79.01864	0.6
90.55334	0.3
91.05471	2.4
93.07043	4.2
95.04960	0.4
103.05473	2.2
105.04526	0.3
111.04244	0.2
119.04968	0.5
121.06506	100.0
122.06834	1.0
143.03415	0.8
147.04395	0.4
151.50188	0.2
153.01836	16.0
153.02863	0.8
154.49109	0.3
165.05481	3.2
273.07568	10.8
290.10226	27.4
291.10434	0.3
308.11288	1.5
329.33771	0.3
470.10974	0.4
526.74854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.1
53.03944	2.5
55.01873	1.2
55.05270	1.7
55.05514	23.6
57.03447	4.7
57.07071	6.7
59.04963	0.9
65.03954	1.9
67.05505	52.1
69.07069	23.2
69.28323	4.2
69.28767	4.1
71.04990	1.8
71.08629	3.9
72.49943	0.8
79.05495	30.4
81.03443	1.1
81.07056	57.4
83.08619	13.4
85.06561	1.6
85.10140	1.5
85.60550	1.0
89.06027	1.9
91.05476	21.5
93.07046	34.9
95.04977	2.6
95.08606	52.5
97.06535	3.7
97.10185	6.3
98.21535	1.9
105.04537	2.3
105.07030	27.8
107.08597	23.1
109.10159	25.4
111.08079	3.6
111.11724	2.4
113.71654	1.0
117.07021	6.9
119.08578	22.8
121.10149	19.5
123.08066	0.9
123.11722	9.0
125.09624	1.1
128.06209	1.0
129.07008	2.5
131.08578	14.3
131.97552	0.9
133.08591	1.7
133.10127	20.6
135.11696	14.0
137.09610	1.9
137.13269	2.5
139.11198	1.5
143.08575	2.6
145.10107	14.6
147.11696	15.7
149.13264	11.4
151.11205	1.3
151.14806	1.8
155.08597	1.0
157.10172	3.2
159.11697	8.9
161.13243	8.7
161.14453	1.0
163.11205	2.3
163.14810	6.3
169.10146	1.1
171.11693	4.1
173.13260	7.8
175.14786	6.0
177.16441	2.6
179.14418	1.4
179.18047	1.3
183.11829	1.0
185.13264	3.5
187.14861	3.9
189.16452	2.7
197.13396	1.5
199.14781	2.3
201.16406	1.2
203.18005	2.1
205.19424	1.5
207.20935	1.2
213.16451	1.5
215.17899	0.9
219.20978	0.9
229.19676	1.3
233.22763	1.3
237.04512	1.0
241.19565	2.1
243.21176	3.2
245.22580	1.8
255.19594	1.2
259.20496	4.4
261.22113	11.3
263.23676	2.3
273.22220	1.8
275.20212	1.8
275.23715	1.2
277.21619	1.2
287.23685	1.9
297.24429	1.2
309.24127	0.9
317.24850	1.7
317.28317	1.8
333.24268	3.4
335.25742	9.3
337.27350	11.4
339.29062	4.9
353.26901	1.1
357.31589	1.3
446.54410	1.1
477.35852	1.5
505.38562	1.8
523.44922	6.5
541.46295	2.6
597.48651	12.4
615.49823	100.0
616.50409	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	615.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.0
53.03936	2.2
54.49737	1.2
55.01867	2.2
55.05515	23.4
56.05850	1.1
57.03186	0.9
57.03440	4.8
57.07076	6.5
58.03784	0.9
58.82252	1.0
65.03944	3.0
67.05509	50.3
68.05837	4.2
69.07068	25.0
69.17058	10.8
70.07386	2.7
71.05004	1.3
71.08628	3.0
74.97407	0.9
76.91498	1.2
79.05493	29.9
80.05831	2.6
80.15922	0.9
81.07060	59.6
81.51275	0.9
82.07388	4.6
83.05009	2.2
83.08625	11.7
84.08984	1.1
85.06563	2.3
85.10188	1.1
89.06015	2.6
91.05489	20.5
92.05811	3.2
93.07049	34.9
94.07388	3.2
95.01349	1.0
95.04984	3.0
95.08611	46.0
96.08952	5.6
97.06538	4.2
97.10157	5.8
99.08097	2.9
105.04514	1.8
105.07040	22.1
106.07383	2.7
107.04964	1.2
107.08606	24.1
108.08949	3.7
109.06502	1.0
109.09392	1.2
109.10160	22.6
110.10501	3.4
111.08111	1.3
111.11723	1.4
117.07006	7.3
119.08592	22.8
120.08925	2.9
121.10143	16.1
122.10529	2.4
123.11696	9.5
124.12022	1.2
125.09670	1.8
129.07063	2.2
131.08585	14.1
132.08931	1.9
133.08612	1.3
133.10127	16.6
134.10493	1.9
135.10728	1.5
135.11690	11.9
136.12027	2.0
137.06049	1.2
137.13280	3.6
139.11169	1.2
143.08575	5.5
145.10141	15.1
146.10490	2.4
147.11699	11.9
148.12097	1.9
149.09653	2.3
149.13286	7.2
150.13692	1.1
151.11221	1.1
157.10185	4.2
157.54723	1.1
158.10493	1.6
159.11710	9.6
160.12025	1.5
161.13272	8.6
162.13643	1.8
163.11182	1.5
163.14873	4.0
165.16446	1.6
169.10153	1.1
171.11737	3.1
173.13335	7.7
174.13727	2.7
175.11258	1.4
175.14862	4.2
177.16478	1.8
179.14305	2.3
183.11775	1.4
185.13306	4.3
187.14844	3.5
188.15181	1.4
189.16434	1.7
197.13240	1.3
199.14825	2.2
201.16371	1.4
203.17989	2.1
212.49258	1.0
215.18044	1.3
217.19540	1.7
233.22592	1.3
241.19730	1.4
243.21118	1.3
244.21494	1.1
245.22762	1.1
257.62375	1.0
258.89426	1.1
259.20557	4.6
261.22247	7.5
262.22583	1.9
263.23615	1.1
275.20172	2.2
277.21695	3.1
299.23801	1.0
315.26730	1.3
317.24799	1.8
333.24301	2.1
334.24411	1.1
335.25858	5.6
336.26233	2.4
337.27295	9.1
338.27805	1.8
339.28720	2.9
349.27402	1.4
366.26547	1.0
371.32999	1.6
517.38568	1.4
523.44904	4.3
531.40308	1.6
541.46033	4.3
545.41187	1.5
597.48584	12.1
597.57898	1.5
615.49542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.7
57.03429	4.5
57.07080	100.0
58.04238	5.6
59.05006	58.5
64.88801	2.7
67.05505	13.6
69.07067	10.5
71.08636	93.3
72.05782	4.3
73.02895	6.2
73.06554	10.5
79.05507	8.2
79.20866	2.7
79.84999	2.9
80.42475	2.5
81.07049	14.8
83.04980	3.5
83.08617	6.1
85.06523	3.3
85.10186	83.4
86.07372	2.9
87.04479	10.5
89.06038	20.2
90.01923	28.4
91.05482	7.5
93.07059	11.1
95.04985	3.4
95.08611	8.3
97.10179	5.0
99.11739	11.3
101.06057	2.7
101.09611	3.7
103.07598	7.3
105.07026	10.6
107.04966	3.4
107.08605	8.9
109.06553	4.9
109.10201	6.7
115.07561	5.1
117.07005	4.3
117.09142	21.8
119.08581	8.5
121.10155	6.0
123.08069	4.9
128.12952	2.5
131.08548	8.4
133.08627	11.5
133.10133	6.1
135.08084	4.9
135.11708	3.0
139.17093	2.7
141.16403	7.3
143.08600	6.4
145.10138	6.7
149.13301	3.3
151.07614	2.8
157.10205	2.8
163.11186	3.6
165.09122	5.7
169.15863	4.1
171.11673	4.2
173.13268	3.0
178.07104	4.3
179.12755	3.1
181.12143	5.7
183.11685	3.4
197.35988	3.1
199.20570	14.6
203.14339	2.9
221.15388	15.2
222.09731	5.0
229.48912	3.0
230.32903	3.2
231.31577	2.8
250.73672	2.8
257.24753	15.9
291.19656	3.1
292.80032	2.8
357.63226	3.3
364.42133	3.1
383.13614	2.5
421.51349	2.5
451.67361	2.7
464.39624	10.0
533.76062	3.0
539.24402	17.2
615.40955	9.9
615.49963	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	615.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.7
57.03434	4.4
57.07080	100.0
58.04217	8.1
59.05006	37.9
64.75191	1.3
65.03899	1.4
67.05501	8.5
69.07071	8.1
69.63660	1.9
69.64070	6.4
71.04981	1.6
71.08636	78.9
72.05776	9.4
73.02916	4.7
73.06559	7.6
77.78444	1.3
79.05505	3.7
81.07051	8.7
83.05010	1.7
83.08621	4.6
85.06542	1.6
85.10189	63.5
86.07359	1.9
87.04481	10.9
87.08126	5.1
89.06040	16.7
90.01925	27.3
91.05495	2.5
93.07042	6.5
95.04951	2.4
95.08623	8.3
96.09431	1.4
97.06509	1.8
97.10176	5.0
99.11742	13.6
100.08852	1.5
101.06033	3.0
103.07566	6.8
105.07043	3.5
107.08602	3.2
107.33323	1.4
109.06509	3.2
109.10165	4.3
110.10972	1.4
111.08119	2.1
113.13294	4.7
116.08396	2.2
117.09136	11.7
119.08607	5.2
121.10120	2.7
129.06949	1.7
131.08562	1.5
133.08617	9.0
133.10149	2.8
134.04469	1.6
135.08043	3.0
135.11742	2.3
144.88382	1.5
145.10138	3.2
147.10156	1.4
149.09573	1.8
152.15666	2.6
155.17953	6.2
157.10147	2.3
159.11691	1.8
165.09097	1.7
169.10193	1.4
177.11217	3.3
178.07080	4.2
179.12767	1.8
183.17433	3.8
208.15570	2.3
210.58662	1.6
212.21390	3.3
213.22165	14.5
221.15430	2.9
222.09750	6.7
223.15396	2.8
238.16463	1.8
252.18079	1.9
253.16641	1.6
270.25607	2.0
271.26288	4.8
281.19656	2.7
291.19519	2.2
328.16016	5.0
376.34225	2.3
464.39780	7.8
615.48383	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	615.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90936	0.6
55.01870	2.0
57.03441	2.9
69.03423	0.9
69.07033	0.5
69.65835	2.2
69.66256	1.3
70.06591	0.7
71.01355	4.2
73.02919	5.5
80.05029	0.6
81.94307	0.5
83.01358	0.8
85.02905	7.7
86.09708	1.1
91.12292	0.5
95.01328	2.6
95.08642	0.5
97.02881	1.2
98.06048	0.5
98.20785	1.0
99.00809	0.7
100.74575	0.5
101.02374	2.4
103.03949	0.9
108.04492	2.1
110.06058	1.0
113.02370	3.3
117.05507	2.0
121.06541	1.1
122.02445	0.6
122.06036	1.0
124.03978	0.9
129.05446	2.6
131.03403	1.5
138.05449	0.6
139.03906	1.4
140.07076	1.2
141.01823	4.4
146.05988	0.6
148.03978	0.6
150.05522	0.8
152.07104	0.9
153.01825	1.8
154.05003	0.8
156.06520	0.7
158.06024	0.7
160.07567	0.6
164.07065	0.8
165.05479	0.9
166.05023	2.4
172.07602	0.9
174.09157	1.0
175.08662	3.9
176.07063	4.3
178.08691	1.2
182.04523	0.8
185.07159	1.1
185.10840	0.6
188.07138	0.7
189.06656	1.5
189.10263	1.9
191.08075	0.8
194.04407	0.6
196.06020	1.2
198.07692	0.7
199.08679	2.2
200.07124	1.6
202.08685	1.6
203.08171	11.2
204.06578	1.1
205.09599	0.7
213.06660	0.8
213.10220	2.3
215.08122	0.7
217.06136	1.7
217.09715	8.7
224.09216	2.2
227.08170	4.9
228.06610	1.3
228.08890	1.7
229.09703	0.7
230.08141	1.0
231.07635	2.1
231.11284	0.7
235.10768	0.7
241.09782	5.0
242.08189	1.1
242.10443	1.0
243.11470	0.6
244.09671	0.8
245.09248	18.3
247.10789	1.3
250.07162	1.2
255.07684	1.6
259.10794	4.8
263.10263	2.5
269.09238	4.6
270.07730	1.2
272.09229	0.7
273.08676	5.3
287.10251	10.0
289.11874	1.0
291.09821	2.4
297.08759	1.3
305.11267	2.9
315.09744	3.4
319.12616	0.8
333.10565	1.5
337.13998	7.2
347.12277	2.6
361.13974	10.7
365.13452	14.3
379.15054	3.4
389.13480	1.8
397.16080	13.8
407.14468	15.9
439.17145	100.0
440.17627	1.9
573.19159	1.6
596.42963	0.6
615.19916	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	615.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80265	0.8
55.01860	2.9
57.03432	3.8
62.28383	0.7
69.03423	1.1
69.46817	5.5
70.02920	0.7
70.06603	0.9
71.01354	4.9
72.08150	0.9
73.02921	8.2
78.03153	0.6
83.01302	0.9
85.02906	11.5
93.07055	0.7
95.01318	5.7
97.02877	1.9
97.06502	1.1
99.00767	1.3
101.02338	1.5
103.03970	1.3
108.04485	3.6
110.06041	0.9
113.02358	4.9
114.89822	0.7
117.05502	2.5
121.06486	1.4
121.10116	1.2
122.02352	0.9
122.06008	1.1
123.04448	0.8
124.03927	1.1
124.07626	0.7
126.05520	1.6
129.05467	3.7
131.03416	1.7
138.05492	1.7
139.03874	1.4
140.07065	1.8
141.01831	5.6
143.03458	0.8
148.07559	1.2
150.05475	0.7
151.03934	0.9
152.07082	1.1
153.01854	4.2
154.04956	1.2
164.06998	1.1
166.05011	1.6
168.06621	1.6
172.07620	1.3
174.09123	2.0
175.08694	6.1
176.07083	6.4
177.05505	0.9
178.08667	1.4
182.04507	1.4
185.07135	1.0
186.02664	0.7
186.05504	0.8
188.07199	0.9
189.06622	1.8
189.10242	3.8
191.08098	1.2
194.04462	1.0
196.06030	3.0
198.07639	1.1
199.08691	1.7
200.07085	3.0
201.10226	1.2
202.08646	1.7
203.08154	14.1
204.06555	2.2
213.06693	1.1
213.10231	2.0
217.06381	1.4
217.09735	13.3
224.07088	0.8
224.09187	2.3
227.08119	5.4
228.06648	1.5
228.08838	1.2
229.09685	1.4
230.08113	1.6
231.07698	3.2
241.09731	5.8
242.08113	1.2
242.10251	1.3
244.11781	0.9
245.09224	21.8
247.10840	1.5
250.07152	1.9
259.10840	3.6
263.10217	3.7
269.09213	4.7
270.07700	1.2
271.10574	0.8
273.08676	8.4
287.10248	13.0
291.09756	4.8
297.08731	1.0
301.11639	0.9
305.11258	2.9
315.09744	3.6
333.10785	2.0
337.13986	9.6
347.12451	3.0
361.13931	12.0
365.09119	1.4
365.13446	19.8
366.13666	0.9
379.15112	2.9
389.13336	2.9
397.16071	20.5
407.14502	43.0
411.47690	1.0
439.17120	100.0
440.17242	3.0
547.49347	0.8
555.17963	0.7
573.19141	3.3
583.17578	2.6
597.19946	1.0
615.20343	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	613.4829
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02377	1.5
51.33220	1.2
53.03941	5.2
54.82056	1.4
55.01868	3.9
55.05514	30.3
56.05865	1.5
57.03434	6.1
57.07090	7.8
60.16721	1.2
65.03944	4.2
67.05508	68.1
69.07072	32.7
71.04988	2.2
71.08628	4.6
71.12123	2.7
73.04762	5.0
77.03928	1.6
79.05500	43.3
81.03432	2.4
81.07061	75.2
82.07397	1.4
83.04972	4.6
83.08620	18.3
85.06545	3.8
85.10201	1.7
89.06040	3.1
91.05457	36.3
92.05753	2.0
93.07046	44.9
95.04963	5.7
95.08611	53.5
96.08951	1.8
97.06538	7.9
97.10175	7.8
99.08118	2.3
105.04532	1.6
105.06317	2.2
105.07030	44.8
106.07361	1.5
107.05006	3.7
107.08601	28.2
109.06541	4.5
109.10158	21.1
111.08111	2.1
111.11731	1.9
115.05461	1.8
117.07019	16.9
119.08581	34.8
119.09368	2.4
120.08960	1.6
121.06564	1.7
121.10159	20.3
123.08101	1.8
123.11691	9.0
128.06230	2.1
129.07013	8.3
131.08578	28.0
133.10138	28.7
135.08066	2.4
135.11679	14.9
137.05978	11.2
137.09662	2.5
137.13229	3.1
139.11209	1.9
141.07016	2.1
142.07805	1.9
143.08556	9.6
145.10115	28.0
147.11707	21.9
149.09659	3.3
149.13263	7.8
151.07631	1.6
151.11211	3.0
155.08562	3.8
156.09338	1.5
157.10158	8.5
159.11713	16.4
161.09589	1.9
161.13248	15.5
163.11232	3.9
163.14816	4.8
165.12715	1.6
167.05618	1.3
167.08659	1.8
168.83455	1.4
169.10194	3.8
171.11705	9.1
173.13287	11.4
175.11220	1.9
175.14799	7.9
176.15213	1.3
177.16417	1.8
179.14339	5.0
179.33813	1.5
183.11786	2.9
185.13304	5.9
187.14899	5.3
189.16408	3.2
192.84172	1.4
195.11699	1.9
197.13324	3.4
199.14873	4.9
201.16402	2.6
203.18005	1.9
205.19484	1.5
213.16444	2.2
215.17998	3.4
225.16454	2.0
227.17937	1.5
229.19704	1.6
231.17522	1.7
231.21227	3.9
239.18161	2.2
240.09506	1.5
241.19543	12.0
243.21184	2.6
245.18895	1.2
247.20587	1.7
257.19009	6.6
259.20596	16.9
261.22208	3.6
263.23859	1.6
275.20035	14.1
276.20477	1.4
277.18051	5.8
277.21649	5.1
287.00543	1.6
299.23672	2.7
327.26669	1.5
333.24295	10.4
335.25897	4.5
337.27365	16.9
339.29163	2.3
357.06860	3.2
358.07208	1.9
521.43707	6.1
539.44238	2.6
568.02521	1.4
595.47089	5.8
613.48260	100.0
614.48395	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	613.4824
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03936	5.0
55.05513	25.6
57.03439	7.2
57.07064	5.6
65.03934	3.0
67.05507	68.4
69.07071	23.3
71.04981	2.5
71.08628	1.4
72.06857	1.2
79.05495	43.3
81.07061	78.4
83.05015	1.3
83.08624	13.2
85.06550	2.4
89.34377	1.2
91.05483	34.0
93.07048	46.5
93.07641	2.2
95.04974	2.9
95.08611	65.5
97.06529	4.5
97.10173	8.2
98.21521	2.6
99.08092	2.7
105.04552	1.5
105.07033	36.7
107.08595	30.8
109.06496	2.2
109.10163	32.4
111.08105	1.7
115.05548	1.3
115.18118	1.3
117.07023	15.1
119.08589	27.8
119.09379	2.3
121.10151	25.9
121.11024	1.4
123.11698	12.9
125.09599	1.6
129.07019	8.4
131.08577	27.3
133.10138	28.4
135.11710	20.4
137.09587	1.2
137.13248	3.9
141.06995	1.8
143.08572	10.0
145.10130	25.2
147.11694	21.9
149.13239	11.4
151.14842	2.0
155.08577	2.9
157.10129	9.2
159.11696	18.7
161.13263	13.5
163.11174	1.3
163.14833	5.5
169.10110	4.4
171.11736	7.7
173.13246	19.7
175.14920	6.8
177.16371	1.5
183.11703	3.2
185.13237	7.6
187.14813	9.2
189.16389	4.3
197.13373	2.5
199.14862	5.1
201.16399	4.9
203.18010	3.0
205.19604	1.4
209.13333	1.7
211.14803	2.1
213.16483	4.2
215.17889	2.9
227.18016	2.4
229.19681	1.8
241.19554	5.2
243.21198	3.3
245.22766	1.7
247.20734	1.6
255.21239	1.7
259.20551	11.5
261.22223	11.2
263.23700	1.7
273.22156	2.4
287.23767	1.7
287.27689	1.4
313.25439	1.9
317.25018	1.6
327.26657	1.5
333.24200	7.5
335.25800	18.5
337.27374	9.4
347.25818	1.7
355.29977	2.3
376.06839	1.3
489.35880	2.8
503.36938	2.1
518.42462	1.4
521.43604	6.3
529.39148	1.8
539.45459	2.7
543.40784	3.1
595.47168	12.8
613.48260	100.0
614.48193	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	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.39774	1.3
53.03944	3.1
55.05264	1.8
55.05512	17.1
57.03427	4.5
57.07074	3.3
62.28829	1.1
64.14943	1.2
65.03946	2.0
67.05510	51.3
69.07071	17.7
70.91032	1.5
70.91370	2.6
71.05017	1.4
71.08626	3.3
79.05135	0.9
79.05495	27.0
81.07063	55.6
82.80057	1.1
83.05016	1.6
83.08620	8.1
87.72401	1.1
91.05491	21.5
93.07049	36.8
95.04986	2.6
95.08614	43.1
97.06535	3.2
97.10169	4.5
99.08108	1.4
105.07034	23.9
105.07693	2.0
107.08602	22.5
109.10164	18.8
111.08083	2.5
111.11722	1.5
117.07032	9.4
119.08587	22.1
119.33069	1.2
121.10157	19.4
121.23311	1.3
123.11720	10.3
125.09633	1.6
129.07011	5.3
131.08585	18.6
133.10143	19.2
135.08069	2.1
135.11700	13.2
136.53426	1.2
137.13280	3.5
139.11185	1.2
141.04588	1.5
143.08554	6.1
145.10124	16.4
147.11674	14.4
149.13272	7.6
155.08604	1.2
157.10164	8.1
159.11710	12.6
161.13261	10.2
163.11168	1.7
163.14839	5.3
169.10133	3.0
171.11671	6.6
173.13261	12.2
175.14830	3.6
177.16435	2.1
179.14314	2.7
179.18103	1.1
183.11676	1.8
185.13327	3.9
187.14787	6.0
189.16508	2.8
195.11768	1.4
197.13396	1.8
199.14905	2.9
201.16389	4.2
203.18040	1.7
211.14851	2.2
213.16489	2.0
217.19539	1.5
225.16302	2.0
227.17999	1.3
231.17342	1.7
231.21198	1.5
239.18156	1.2
241.19711	3.1
243.21243	1.5
247.20656	1.5
259.20593	6.3
261.22150	11.6
263.23804	1.2
273.22192	2.0
277.21698	3.5
281.21286	1.2
289.21454	1.2
295.22867	2.4
299.23651	2.3
301.25760	1.3
303.23431	1.1
315.23221	1.3
317.24744	2.0
319.26654	1.4
327.26959	1.2
329.24692	1.1
333.24344	4.9
335.25745	12.6
336.26031	1.4
337.27454	8.6
341.27933	1.5
345.28268	1.2
351.01624	1.2
489.35913	1.3
503.37589	1.2
517.39166	1.4
521.43610	5.0
529.39099	1.8
539.44586	3.9
595.46893	8.6
613.48279	100.0
614.48389	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03951	1.5
55.01878	0.4
67.05490	0.6
69.03429	1.4
69.07078	0.5
70.06606	0.5
71.50773	0.3
72.08154	0.5
77.03938	0.6
79.01856	1.6
79.05489	1.3
81.03422	2.9
81.07046	1.0
85.02913	1.3
86.09694	0.4
91.05440	0.4
95.04972	1.0
95.08604	0.8
97.02909	2.6
97.06572	0.5
99.04427	0.7
107.01318	0.9
107.04958	76.2
108.05293	0.5
109.02873	2.0
119.04959	0.3
119.08575	0.5
120.08120	0.3
121.06565	0.5
125.02359	1.0
127.03941	2.6
137.06003	0.8
139.03931	0.8
143.03394	1.3
145.04916	0.5
147.04414	1.6
148.04755	0.6
151.03937	0.7
153.01836	37.5
153.02838	1.7
167.07013	0.5
171.02899	3.2
173.11118	0.3
192.04207	1.2
193.04974	39.4
287.05356	0.4
297.06033	3.1
299.09149	100.0
300.09445	1.6
304.23987	0.4
315.07010	1.2
613.23956	0.6
641.58685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
53.28700	2.1
53.85030	2.0
55.01866	3.4
55.05512	23.1
56.05849	3.3
56.63041	2.2
57.03438	10.4
57.07078	13.3
59.05005	2.3
61.79963	2.7
65.03938	3.2
67.05510	62.2
68.05260	3.8
68.05850	10.4
69.03409	2.3
69.07072	17.8
69.28009	7.5
69.28429	17.5
70.07423	3.0
71.04998	2.7
71.08629	5.7
79.05500	48.2
80.05826	5.8
81.03410	15.4
81.07060	66.6
82.07397	12.1
82.57924	2.7
83.04961	2.3
83.08620	15.5
85.06530	3.0
85.10185	6.1
87.04480	5.3
89.06017	3.0
91.05483	42.7
92.05830	6.5
92.26553	2.5
93.07053	41.3
94.07391	9.5
95.04967	7.4
95.08624	41.7
96.08958	7.5
97.06528	6.4
97.10160	5.1
98.20832	6.3
99.08076	2.8
105.07039	39.3
106.07375	7.9
107.04958	3.6
107.08591	26.6
108.08957	4.6
109.06554	2.6
109.10185	13.5
110.10509	4.5
117.07024	13.8
118.07401	3.3
119.08588	25.9
120.08936	8.6
121.10148	17.0
122.10497	3.8
123.11721	4.9
125.09594	3.1
128.06282	3.1
129.07019	9.3
131.07060	2.9
131.08598	18.7
132.08936	7.1
133.10130	16.5
134.10486	8.2
135.11720	9.8
137.09763	3.1
141.06992	4.6
142.07826	2.9
143.08566	9.9
144.08846	2.6
145.10123	21.4
146.10500	10.1
147.11734	12.6
148.12086	5.2
149.13254	6.3
157.10162	7.2
158.10564	2.8
159.11694	12.8
160.12071	8.1
161.13315	8.0
163.11154	2.9
163.14900	3.2
164.15257	2.3
165.35597	2.4
169.10132	6.0
171.11671	7.5
172.12070	4.5
173.13312	7.3
174.13626	4.8
180.72533	2.7
183.11778	5.4
184.12126	2.7
185.13300	7.6
187.14890	3.6
188.15186	3.5
189.16231	2.5
193.12239	3.5
197.22704	2.6
201.16634	3.2
204.95935	2.3
208.79019	2.7
211.14972	3.1
213.16660	2.4
235.46172	2.2
241.19565	5.7
242.19792	3.9
257.19147	3.8
259.20544	6.4
260.21017	5.2
261.22198	4.5
267.15881	19.0
276.20493	4.4
277.20837	2.7
310.27972	2.4
329.75775	2.4
333.24164	3.9
334.24768	4.2
335.25812	26.3
336.26239	8.6
338.27740	2.5
518.25800	2.9
520.42108	3.7
527.37561	11.6
538.43048	4.5
594.46100	6.6
612.28101	10.7
612.46954	100.0
612.57794	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73026	1.0
53.03944	3.3
55.01865	3.4
55.05514	20.4
57.03434	5.2
57.07073	4.2
63.66064	1.1
65.03934	2.9
67.05510	52.8
69.07076	19.7
71.04988	1.1
71.22601	2.7
73.04748	1.6
79.05501	35.2
81.07063	52.6
83.04998	2.2
83.08614	10.8
85.06580	1.2
91.05487	37.1
93.06593	0.8
93.07050	38.0
95.04965	4.2
95.08614	39.5
97.06538	5.1
97.10175	3.8
99.08105	2.1
105.04524	1.3
105.07043	33.6
107.08606	23.6
109.06512	3.0
109.10157	16.1
111.08094	2.3
117.07046	13.7
119.08592	25.4
121.10152	18.4
123.08099	2.1
123.11709	4.9
128.06232	3.0
129.07013	10.2
130.07774	1.6
131.08577	22.9
133.10147	23.2
135.11694	12.5
137.05957	1.4
137.09686	1.4
137.13290	2.6
141.07062	2.5
142.07803	2.0
143.08569	12.2
145.10133	22.4
147.11708	15.7
149.01454	1.1
149.09659	2.2
149.13246	7.0
154.07802	1.4
155.08601	4.8
156.09338	1.2
157.10135	11.6
159.11713	16.1
161.13287	11.1
163.11134	1.8
163.14883	3.4
166.94728	1.4
167.08569	2.4
169.10143	7.7
171.11699	10.9
173.13269	11.5
175.14903	3.9
177.12831	1.3
179.14386	1.6
181.10222	2.1
183.11705	6.1
185.13260	10.3
187.14821	6.1
189.16422	2.2
192.91789	1.2
195.11755	2.8
197.13318	5.2
199.14827	7.5
201.16426	4.5
209.13240	3.0
211.14891	4.1
213.16479	3.7
215.17967	2.2
225.16516	2.1
227.18057	2.1
229.19604	2.2
231.17546	1.4
231.21095	1.5
239.18019	1.7
241.19565	5.0
257.19098	4.7
259.20544	10.2
261.22241	2.8
271.20673	1.4
275.20068	8.7
311.23511	1.7
325.25375	2.3
331.68985	1.3
333.24277	5.9
335.25873	10.1
337.27802	1.4
339.26779	2.5
353.28381	1.5
379.30060	1.7
406.20847	1.3
493.42670	1.2
519.41962	6.2
537.42841	3.2
541.38849	2.4
593.45593	9.8
611.46741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.1
53.03936	2.9
55.01870	1.8
55.05513	16.0
57.03431	4.1
57.07086	5.6
59.04979	1.4
65.03952	1.4
67.05513	31.8
69.07074	15.8
69.18048	12.5
71.08634	2.1
74.88904	1.1
74.89319	1.2
79.05497	21.0
81.03453	1.3
81.07063	30.6
83.04971	1.6
83.08640	6.0
85.06541	2.7
91.05485	18.1
93.07052	22.2
95.04968	2.6
95.08059	2.1
95.08616	24.5
97.06522	1.1
97.10181	4.3
99.08109	1.6
105.07039	23.5
107.08601	13.4
109.06494	2.4
109.10162	11.4
111.08080	1.9
111.11749	1.4
115.05457	1.9
117.07019	12.8
117.14657	1.3
117.40005	1.2
119.08598	17.1
121.10144	9.8
123.08115	1.9
123.11719	3.0
128.06238	1.8
129.06990	10.0
131.08594	20.5
133.10139	10.8
134.18765	1.3
135.11720	3.9
141.07042	3.5
142.07784	2.3
143.08577	14.4
145.10138	17.8
147.11685	7.7
149.13290	2.2
151.11276	1.2
155.08569	6.6
157.10139	14.2
159.11682	11.3
161.13338	3.7
167.08609	2.8
169.10155	9.3
171.11662	10.2
173.13281	11.2
175.14830	2.5
181.10181	4.2
183.11679	10.3
185.13263	8.3
187.14903	3.2
189.16495	1.7
195.11784	4.5
197.13271	5.8
199.14896	6.8
201.16446	3.5
205.19669	2.0
209.13417	3.9
211.14926	4.6
213.16472	4.9
215.18083	3.6
223.14914	3.2
225.16440	3.2
227.18047	2.9
229.19527	1.8
237.16425	2.0
239.18103	3.0
243.21202	2.2
253.19662	1.4
257.19077	1.6
259.20712	1.6
263.17877	1.6
267.21118	1.4
271.20911	1.5
275.20090	2.0
285.22089	1.4
323.23416	1.5
353.28497	1.6
381.31845	2.0
395.29413	1.6
407.33389	1.7
449.34305	2.0
503.37570	1.7
519.42273	9.0
537.43347	6.2
541.39020	1.7
593.45581	11.5
611.46820	100.0
612.47107	2.1
614.43542	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.8
51.15232	0.8
53.03954	4.3
55.05515	18.1
57.03432	6.5
57.07071	2.8
65.03940	2.8
67.05507	41.9
69.07069	14.5
69.18113	4.2
69.18542	4.2
70.55063	0.8
71.04993	1.2
79.05495	29.2
81.07058	40.2
83.04961	1.6
83.08617	8.1
85.06541	2.0
91.05480	29.8
92.46577	0.8
93.07045	33.3
95.04980	2.4
95.08611	30.0
97.06541	2.6
97.10178	3.3
98.21453	2.1
99.08093	1.7
105.04502	1.3
105.07034	27.2
107.08599	20.0
109.06528	1.3
109.10160	13.4
111.08092	1.9
113.60349	0.8
114.25513	1.0
115.05433	1.6
117.07025	16.0
119.08582	26.9
121.10145	14.0
123.11718	4.4
128.06267	2.2
129.07007	8.6
131.08574	22.0
133.10127	18.6
135.11693	11.0
137.13280	1.8
141.06982	2.2
142.07793	2.4
143.08574	10.5
144.09314	0.9
145.10129	20.0
147.11707	17.6
149.13266	5.9
151.14658	0.8
153.06955	1.3
155.08589	5.1
156.09387	1.9
157.10123	11.3
159.11699	16.9
161.13271	12.2
163.14838	2.9
167.08565	1.9
168.09309	1.0
169.10100	5.1
171.11687	10.5
173.13220	11.4
173.14456	0.9
175.11345	1.1
175.14825	6.1
181.10168	2.4
183.11702	4.7
185.13240	9.0
187.14815	6.3
189.16400	1.5
195.11769	2.1
197.13228	4.9
199.14841	6.1
199.55069	0.9
201.16357	3.3
203.17955	1.3
209.13318	1.8
211.14868	3.5
213.16457	4.4
215.17987	2.6
223.14879	2.2
225.16443	2.0
227.17993	2.4
229.19508	1.6
231.21104	2.0
239.17961	1.6
241.19598	9.8
243.21147	1.4
251.17839	1.0
257.19049	5.1
259.20547	16.1
261.22238	4.2
263.23804	1.0
271.20798	1.4
271.24216	1.0
299.19757	1.0
325.25369	1.5
329.24652	1.1
333.24316	11.6
335.25839	17.9
337.27386	2.0
339.26855	1.5
341.28625	1.1
351.25476	1.2
353.28577	1.5
381.31723	1.1
489.35645	1.3
501.41064	1.3
519.42053	8.2
529.39325	1.3
537.43030	3.7
541.38843	1.9
542.39545	1.2
593.45679	8.3
611.46716	100.0
612.46960	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	611.1608
Annotation	3,7,2',3',4'-Pentahydroxyflavone 3-neohesperidoside
Peak:m/z	Relative Intensity
53.03941	0.4
54.89539	0.3
55.01885	0.4
57.03439	2.9
68.99795	0.8
69.03418	0.6
70.08137	1.2
71.04994	20.4
75.04469	0.6
77.45995	0.3
81.03398	0.8
83.04967	0.6
85.02906	22.0
87.04465	0.5
93.03374	0.4
95.04903	0.4
97.02897	0.5
108.74013	0.3
109.02898	0.6
109.19406	0.3
111.00795	1.1
111.04394	0.4
121.02869	1.2
121.06538	0.4
123.04448	0.5
127.03915	1.5
129.05473	5.3
137.02347	2.7
139.03891	2.0
147.06517	0.7
151.03897	0.4
153.01813	5.3
161.06122	0.5
163.03876	1.0
165.01840	1.9
177.59518	0.4
183.02905	0.7
201.05495	1.4
213.05521	0.6
219.03717	0.3
229.04947	3.6
241.04753	0.3
247.06142	0.5
257.04465	3.2
274.04755	0.6
285.03915	1.0
287.05505	19.9
288.05893	0.4
303.04987	100.0
304.05374	1.2
345.06067	0.5
363.23810	0.3
369.01019	0.3
425.08499	0.4
449.10724	1.2
465.10287	12.3
466.10492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	1.1
53.03939	4.3
55.01874	2.4
55.05267	1.7
55.05516	19.1
57.03440	6.6
57.07070	4.2
65.03951	2.4
67.05510	45.2
68.05830	1.3
69.03419	1.2
69.07081	16.9
71.04982	1.6
71.08634	1.3
77.03914	1.3
79.05499	39.2
81.03445	1.2
81.07059	45.9
83.04986	3.1
83.08617	9.0
85.06546	2.2
87.92441	1.3
91.05488	32.7
93.07053	35.6
95.04961	2.9
95.08611	37.8
97.06525	3.5
97.10175	4.1
99.08083	1.4
105.07036	33.1
107.08597	22.8
109.06506	1.5
109.10173	13.6
111.08097	1.8
115.05457	1.9
117.07021	15.6
119.08586	28.7
121.10163	19.6
123.08089	2.3
123.11726	5.5
125.09619	1.7
128.06262	2.1
129.07028	11.0
130.07796	1.6
131.08578	23.1
133.10136	19.7
135.11711	10.9
137.13341	1.9
141.07010	2.4
142.07816	2.7
143.08585	13.1
145.10132	22.8
147.11707	18.0
149.13278	6.6
155.08557	5.4
157.10123	14.5
159.11702	16.6
161.13257	13.5
163.14848	3.1
167.08517	1.6
169.10149	8.6
171.11702	11.4
173.13277	10.4
175.14828	5.2
177.90561	1.1
181.10150	1.9
183.11673	7.8
184.12592	1.2
185.13284	9.9
187.14799	5.2
189.16434	2.5
195.11732	2.6
197.13298	4.1
199.14827	6.7
201.16426	2.9
203.17979	1.4
211.14865	4.9
213.16362	5.3
215.18021	2.6
216.12744	1.1
217.19571	1.5
225.16595	2.4
227.18056	1.8
229.19676	1.5
231.21179	2.0
239.18103	2.1
241.19640	9.7
243.21245	1.7
249.16147	1.2
257.19113	2.5
259.20624	17.0
261.22278	4.7
276.20596	1.7
304.16302	1.1
313.25455	1.3
315.23160	2.1
325.25452	1.7
331.22830	1.3
333.24286	9.3
335.25873	19.4
337.27133	1.2
339.26727	2.0
353.28366	1.2
381.31686	1.4
420.31619	1.2
489.35757	1.2
519.42206	8.0
537.42859	3.4
541.39569	1.6
593.45624	9.4
611.46686	100.0
612.47028	2.4
638.64716	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.161
Annotation	Rutine
Peak:m/z	Relative Intensity
57.03439	2.2
68.99795	0.7
69.03429	1.1
69.92376	0.4
70.65924	1.4
71.04997	10.8
73.02926	0.6
75.04446	0.5
81.03424	0.7
83.04987	0.6
85.02914	14.5
87.04469	0.5
93.03400	0.5
97.02906	1.1
109.02921	0.7
111.00826	1.0
111.04450	0.7
121.02847	0.9
129.05531	2.6
137.02322	2.2
139.03912	6.1
145.04951	0.6
147.06465	0.8
151.03920	0.6
153.01860	8.4
153.03012	0.9
163.03929	0.5
165.01840	1.9
167.93842	0.5
173.06050	0.5
201.05516	0.7
229.04965	2.9
246.67271	0.5
257.04401	2.6
266.73227	0.4
285.03967	0.7
289.07114	0.7
303.05017	100.0
304.05331	1.5
465.10492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1611
Annotation	Robinetin 3-rutinoside
Peak:m/z	Relative Intensity
55.01867	0.5
55.05495	0.6
57.03432	0.9
59.33634	0.4
61.02914	1.4
65.03920	0.5
66.02080	0.3
68.99781	0.8
69.03414	1.2
70.06577	0.7
71.04995	10.4
71.50280	0.4
71.50646	0.6
73.02901	1.1
75.04469	0.6
77.73042	0.3
79.01839	0.9
81.03447	0.8
83.04974	1.4
85.02907	14.6
90.99373	0.4
91.03952	0.6
95.04961	0.7
97.02869	2.0
97.06543	0.4
109.02841	0.6
111.00806	0.9
111.04440	1.0
121.02877	1.1
123.04417	1.1
125.02332	0.7
127.03915	1.2
129.05498	3.2
131.12943	0.6
133.10385	0.4
137.02357	2.8
137.05965	0.5
139.03909	20.3
143.03406	1.1
145.04874	0.4
147.06506	1.0
151.03911	1.7
153.01840	23.8
153.02921	1.2
161.05981	0.4
163.03879	1.9
165.01859	2.1
166.77010	0.3
181.04895	0.4
183.02867	0.7
201.05470	2.0
205.04950	0.9
219.06450	0.4
223.63765	0.4
229.04915	3.5
244.09512	0.6
247.05925	0.5
250.14400	0.4
250.69376	0.4
257.04462	2.6
274.04578	0.9
275.05585	0.4
285.03967	1.0
287.05508	1.5
289.06982	1.5
289.09924	0.4
303.05002	100.0
304.05371	1.4
308.09131	0.5
315.04977	0.8
345.05939	0.6
352.13663	1.2
449.11273	0.6
465.10248	1.1
611.24841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45201	0.3
55.01867	0.4
55.05495	0.2
56.88227	0.2
57.03443	1.7
60.31796	0.3
61.02923	1.4
62.16436	0.3
65.03948	0.2
66.74385	0.3
68.99793	0.5
69.03446	0.6
69.48110	1.8
71.05000	10.1
72.08138	0.4
73.02898	0.6
75.04468	0.7
79.01838	1.0
81.03439	0.4
83.04970	0.7
85.02911	13.0
87.04465	0.4
91.03954	0.9
93.03396	0.3
97.02893	1.6
99.04504	0.3
109.02917	0.5
111.00797	0.9
111.04433	0.6
116.05487	0.2
121.02855	1.0
123.04439	0.6
127.03903	0.9
129.05496	3.5
137.02359	3.3
139.03909	14.3
143.03409	0.7
145.05046	0.4
147.06548	0.9
149.02283	0.7
151.03885	0.9
153.01845	16.9
153.02913	0.8
161.05983	0.3
163.03918	1.5
165.01839	1.9
173.05971	0.5
177.05560	0.3
179.03421	0.4
183.02913	0.9
183.04390	0.4
195.02945	0.3
201.05473	1.6
205.05042	0.8
229.04987	4.2
247.06059	0.6
257.04510	2.7
274.04706	1.1
285.04007	1.3
289.07031	1.0
303.05011	100.0
304.05325	1.4
305.02866	0.3
315.04938	0.4
345.05896	0.4
354.89093	0.3
369.05902	0.4
417.56927	0.3
447.09106	0.3
449.10815	0.5
465.10254	0.3
534.61676	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1399
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
51.02428	1.0
51.28118	0.9
53.00306	1.2
55.01894	1.4
60.76055	0.8
68.99799	7.1
71.12332	1.5
71.12665	1.2
71.20224	0.9
74.17639	0.8
77.03960	1.1
81.03418	2.5
87.15786	0.8
95.05000	1.2
105.03439	1.1
109.02899	3.6
111.00829	5.0
111.04465	2.0
119.04926	1.1
121.02900	1.8
123.04440	9.0
127.03930	85.6
131.04884	1.1
133.02879	2.6
135.04434	2.4
139.03918	100.0
147.04437	5.4
149.02371	2.6
149.06049	1.3
151.03935	26.5
152.04486	1.3
153.01801	0.9
155.03378	1.3
157.06535	1.3
159.04294	1.0
163.03928	10.2
165.05508	2.7
167.03484	4.7
169.05023	1.1
169.06383	0.9
175.03906	11.3
177.05481	3.8
179.03415	31.9
179.04932	1.9
181.04950	5.8
184.35376	0.8
185.06021	1.6
187.03961	1.2
189.05531	3.1
191.03412	12.6
193.04944	3.5
199.03902	2.5
201.05472	3.9
203.03397	17.2
205.05066	2.4
213.05487	3.9
216.04025	1.0
217.04979	4.7
227.03421	1.3
229.04990	6.4
231.06590	3.0
233.04478	6.7
241.05000	2.4
245.04472	10.0
251.05525	1.4
257.04443	12.8
258.05173	1.1
259.06052	2.6
263.05533	17.9
263.08316	1.0
269.04462	3.2
271.06064	1.8
275.05496	20.6
287.05536	37.4
289.07028	2.1
297.69904	0.9
299.05548	14.8
299.08698	0.7
305.06540	10.2
307.08157	6.1
317.06561	18.6
319.08203	1.0
404.88663	1.0
407.07809	1.4
425.08765	19.7
443.09821	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	611.103
Annotation	Epigallocatechin 3,4',-di-O-gallate
Peak:m/z	Relative Intensity
50.01588	0.3
51.02369	0.9
53.00297	0.8
55.01872	0.5
65.03931	1.0
66.43784	0.3
67.05511	0.5
68.99775	1.5
69.03407	0.8
70.81864	0.6
71.04974	0.7
72.83770	0.2
79.01408	0.4
79.01851	5.5
80.78773	0.3
83.04989	0.5
85.02910	0.9
91.05486	0.3
93.03389	0.6
95.05017	0.3
97.02891	1.2
99.52307	0.3
107.01323	1.3
111.00806	0.7
111.04448	2.5
121.02874	0.9
123.04414	1.5
125.02350	2.7
127.03886	0.8
133.02861	0.5
135.75938	0.3
139.03903	95.5
140.04237	0.4
143.03404	6.0
148.33580	0.2
149.05963	0.5
151.03900	6.1
153.01833	100.0
153.02890	5.9
154.02176	0.9
161.05989	0.3
163.03920	6.5
169.04994	0.5
177.05470	0.7
177.09175	0.2
179.03328	0.4
179.07097	0.5
179.14481	0.3
181.05022	0.6
199.48354	0.3
200.94594	0.3
205.05000	2.5
208.09668	0.3
218.38750	0.2
245.09372	0.3
253.05122	0.3
271.06058	0.4
275.11768	0.3
289.07077	9.8
291.05057	0.6
303.05002	3.4
305.02786	0.6
321.06009	0.5
331.04144	0.4
371.39471	0.3
441.08139	1.1
465.09601	0.3
502.55475	0.3
513.47839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1402
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
53.00291	1.3
53.03931	0.7
55.01871	1.0
65.03936	2.5
67.05495	0.8
68.99789	7.3
69.03416	0.7
70.09532	1.5
71.04991	1.5
77.03976	0.7
81.03420	3.3
83.04994	0.8
85.02888	2.2
92.23415	0.6
93.03394	0.7
95.04994	1.3
97.02924	0.7
99.04467	1.0
102.25172	0.8
105.03388	1.0
105.06275	0.6
105.07048	0.8
107.04967	1.7
109.02907	3.4
111.00794	6.1
111.04449	1.6
115.05441	0.9
115.19362	0.7
119.04977	1.2
121.02889	2.4
121.06478	1.5
123.04442	10.8
127.03926	70.5
131.04984	1.0
133.02855	3.1
135.04454	4.4
137.02312	0.8
139.03912	100.0
140.04279	1.8
145.06532	0.8
147.04414	8.4
149.02357	2.3
149.06027	0.9
151.03911	28.4
151.05142	1.4
153.01842	7.0
153.05513	1.3
154.02190	0.9
155.03409	1.5
157.06508	1.0
159.04436	1.8
161.06036	2.0
163.03914	15.5
165.01852	0.9
165.05508	1.1
167.03423	2.7
168.13382	0.7
169.04984	1.4
171.04420	1.6
173.06078	1.2
175.03922	14.4
177.05466	5.6
179.03410	37.5
181.04990	7.3
183.04454	1.1
185.05986	1.5
187.03903	1.9
189.05446	3.9
191.03418	9.2
193.05011	5.0
195.06552	1.1
197.05960	0.8
199.03929	3.6
201.05476	4.7
203.03406	23.0
203.06866	0.8
205.05031	1.1
213.05489	4.3
215.03436	1.5
215.07053	0.8
217.04959	5.8
221.04445	1.1
227.03447	1.7
229.04953	5.6
231.06537	3.0
233.04486	2.3
240.07356	0.8
241.04877	4.1
243.06461	0.9
245.04453	15.4
257.04462	19.0
258.05148	2.0
259.06055	2.1
263.05545	9.4
269.04419	5.3
271.05981	4.0
275.05548	15.3
277.06979	1.0
281.04285	0.9
287.05518	55.2
288.05957	1.4
289.07071	2.4
299.05515	16.0
301.07047	1.5
303.04977	10.0
305.06549	4.8
307.08182	5.1
311.05533	2.2
313.07791	0.8
317.06598	13.4
319.08282	1.9
329.06534	1.1
407.07407	1.6
425.08710	27.2
437.08920	2.0
443.09683	6.8
449.08661	1.1
455.09760	2.0
465.10278	1.5
467.09756	4.4
485.10959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1035
Annotation	Epigallocatechin 3,3',-di-O-gallate
Peak:m/z	Relative Intensity
51.02362	0.5
53.00287	0.2
55.01856	0.4
55.05500	0.2
57.03431	0.3
65.03926	0.5
65.60728	0.2
67.05511	0.3
68.99778	0.8
69.03432	0.4
69.31280	1.2
69.31692	0.4
71.04977	0.3
79.01857	1.7
81.03400	0.2
81.07053	0.2
83.04986	0.8
85.02894	0.8
93.03398	0.3
93.07049	0.3
97.02880	0.5
97.06535	0.3
105.07048	0.3
107.01299	0.5
107.04960	0.2
107.08590	0.3
111.00837	0.2
111.04448	2.4
115.08681	0.2
121.02939	0.2
122.05998	0.2
123.04443	0.5
125.02332	1.0
125.05968	0.2
127.03928	0.6
135.04416	0.6
137.05931	0.2
139.03903	100.0
140.04251	0.7
143.03407	2.1
143.07047	0.2
149.06078	0.2
151.03900	1.6
153.01836	28.2
153.02919	2.0
154.02133	0.2
157.21342	0.2
161.06003	0.2
163.03923	2.8
163.11255	0.3
179.03416	0.3
179.06982	0.2
181.04956	2.0
196.65303	0.2
205.05020	0.7
206.63322	0.2
210.24831	0.2
233.11674	0.2
256.63467	0.2
287.05576	0.4
289.07074	9.4
291.05029	3.1
303.05029	1.3
307.08124	0.4
317.06772	0.4
441.08313	0.5
510.65479	0.2
611.27124	0.2
626.30975	0.2
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	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
53.03949	9.3
55.01880	13.3
55.05236	1.5
55.05511	26.8
57.03431	3.1
57.07072	5.1
65.03939	6.1
67.05508	76.8
69.07070	39.7
69.15356	5.2
69.15778	6.9
71.04992	3.4
71.08636	2.5
77.03886	1.3
79.05498	75.3
81.03423	7.1
81.07060	78.3
83.04998	9.8
83.08625	14.8
85.06519	1.6
91.05483	80.0
91.45389	1.1
93.07047	67.7
95.01334	10.5
95.04981	14.6
95.08611	50.0
97.06544	26.0
97.10168	7.0
98.21532	2.2
103.05490	3.0
105.04506	3.1
105.07038	89.8
107.04968	22.7
107.08592	33.5
109.06533	7.5
109.10168	16.1
111.04440	1.7
111.08090	4.3
113.09648	1.2
113.38561	1.2
115.05477	2.3
117.06244	1.5
117.07028	18.5
119.08592	46.1
121.06508	3.3
121.10139	21.8
123.04437	2.6
123.08096	5.8
123.11717	4.7
125.09643	4.5
129.06978	3.7
130.07768	1.7
131.04967	1.2
131.08572	32.1
133.09126	2.5
133.10136	47.5
135.08063	4.9
135.11705	15.0
137.05989	2.7
137.09653	2.6
139.07498	1.4
141.06960	2.4
143.08578	6.3
145.06487	2.8
145.10124	26.9
147.08075	1.7
147.11691	19.9
149.09628	8.8
149.13260	6.9
151.11156	3.4
155.08563	2.4
157.10150	5.4
159.08095	2.2
159.11691	18.0
161.09601	1.5
161.13261	8.5
163.11197	4.9
163.14845	1.5
165.09109	1.9
169.02690	1.5
169.10153	3.4
171.11714	4.0
173.13301	6.8
175.11252	2.3
175.14781	1.6
177.12737	3.8
179.14333	20.1
183.11705	2.1
185.13237	2.4
187.11177	3.1
187.14836	1.6
197.13336	1.8
205.12242	2.0
207.17038	1.2
211.14963	1.5
219.17496	1.5
229.19551	3.8
233.31068	1.2
239.18159	2.4
241.17970	1.3
247.20630	4.0
255.91087	1.1
257.19043	10.0
261.22095	2.6
273.18460	4.2
275.20078	100.0
276.20374	1.5
293.21127	7.1
315.39749	1.3
335.25906	3.2
349.23862	2.7
407.70541	1.2
446.20477	1.4
447.21399	1.7
463.24139	2.2
497.41937	8.0
549.27679	4.2
557.32141	1.3
609.29956	21.2
609.45081	60.8
623.07996	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.2
53.03954	1.0
55.01870	1.5
59.54480	0.8
59.98960	0.8
65.03923	1.7
66.51255	0.8
67.05492	1.3
68.99779	5.2
69.03426	1.5
70.65902	1.8
70.66238	1.0
73.17127	0.8
79.01868	4.9
79.05510	1.1
83.04951	1.6
91.05470	1.0
93.03413	1.1
95.04967	1.2
96.65257	0.9
97.02872	2.5
107.01299	2.4
109.02893	1.1
111.00790	2.3
111.04459	6.2
111.96376	0.8
115.05450	0.8
118.50790	0.8
119.04945	1.4
121.02856	2.7
121.06500	6.6
123.04428	6.9
125.02354	3.7
125.06001	1.3
127.03912	8.8
133.02852	1.1
135.04366	1.1
137.05957	2.7
139.03906	100.0
140.04172	2.2
143.03419	5.9
147.04382	2.2
151.03925	7.8
152.04263	1.2
153.01837	71.8
153.02934	6.4
153.05457	8.5
153.06865	1.4
154.02209	1.3
155.08591	1.4
159.04524	0.8
163.03908	77.1
165.05469	5.2
165.06996	3.5
169.06535	2.5
171.08025	1.1
173.06000	1.0
175.03899	1.1
177.05507	6.5
179.03392	7.2
181.04916	2.6
181.06490	3.8
183.08063	3.1
185.05930	1.3
189.05475	1.2
193.04953	1.5
193.06470	6.7
195.08003	2.1
197.05939	4.4
199.07541	4.2
201.05437	1.4
203.03346	1.9
205.06502	3.3
209.06015	3.0
211.07571	9.5
213.05464	9.9
214.06215	1.1
215.07013	1.0
217.04965	1.2
221.05978	21.5
223.07515	3.1
225.05396	4.2
227.07022	12.1
229.04904	2.8
229.08568	1.1
231.06519	2.1
233.05981	2.0
237.05408	3.1
239.07024	29.9
241.04976	10.6
242.05942	1.0
243.06499	6.1
245.04393	6.0
246.04869	2.0
249.05452	16.7
250.06142	1.5
251.07066	11.5
253.04880	1.3
255.06525	15.5
256.09650	1.2
257.04578	5.5
257.08124	5.5
258.05106	0.9
259.05966	14.3
260.06802	9.2
261.07516	2.7
263.05319	2.0
267.06522	44.1
268.06827	1.6
269.04581	1.8
269.08026	2.8
271.06009	11.1
272.09097	1.7
273.07581	11.7
275.05487	0.8
278.10123	2.6
279.06528	9.1
284.09131	5.3
285.07584	32.6
286.06995	1.2
287.05609	5.3
288.05820	1.2
290.10245	9.4
293.07983	2.4
296.09122	1.3
297.07581	12.6
299.05597	2.4
302.10245	15.6
303.04984	1.5
303.08475	1.2
305.06689	1.0
314.10199	11.0
317.06427	1.0
320.11279	15.8
349.66159	0.9
387.08572	1.6
405.09726	10.4
422.12030	0.9
423.10843	9.6
424.07172	1.3
425.08578	2.0
440.13425	47.1
441.13208	1.2
442.07993	0.9
458.14404	10.4
472.12393	31.9
473.12714	1.2
513.15161	1.0
610.15619	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	609.4514
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03932	3.0
55.01871	2.0
55.05273	1.2
55.05517	16.1
57.03434	4.1
57.07069	1.5
65.03933	2.1
67.05508	30.6
69.07063	13.9
70.10374	4.2
71.04991	1.8
72.62460	1.1
79.05500	20.0
81.06589	1.5
81.07059	28.0
83.08614	8.2
85.06551	1.5
91.05483	14.5
91.57768	1.0
93.07049	18.8
95.04964	1.9
95.08608	20.4
97.06545	1.4
97.10172	4.4
101.65041	1.0
103.05556	1.1
105.07029	16.4
107.08595	12.8
109.10155	9.0
115.05432	1.7
117.07014	10.2
119.08585	15.9
121.10151	7.9
121.47701	1.0
123.11695	2.1
128.06262	3.3
129.06999	12.2
130.07739	1.1
131.08563	14.6
131.09526	1.1
133.10150	12.5
135.11720	5.0
141.06998	6.5
142.07840	2.2
143.08563	15.9
145.10126	16.1
147.11713	9.3
149.13263	2.8
153.07008	2.0
154.07796	2.0
155.08569	14.2
156.09277	1.2
157.10141	14.8
159.11688	11.5
161.13277	3.7
163.14912	1.3
165.06972	1.7
166.07814	1.2
167.08583	5.5
168.09384	2.3
169.10139	19.0
171.11690	15.7
172.09839	1.1
173.13280	6.3
174.14157	1.1
175.14851	2.5
177.16389	1.1
179.08600	3.2
180.09259	1.0
181.10103	9.0
183.11685	17.7
185.13280	9.3
187.14862	4.6
189.16444	1.4
192.67436	1.0
193.10139	3.5
194.11002	1.5
195.11728	11.3
196.12578	1.3
197.13278	13.6
199.14859	7.4
201.16411	2.5
205.10225	1.2
207.11653	5.3
209.13222	9.8
211.14754	8.9
213.16412	4.5
221.13243	5.2
223.14789	6.4
225.16350	6.2
227.18010	2.8
229.10413	1.2
233.13223	1.2
235.14868	3.4
237.16411	4.2
239.01183	1.1
239.18018	3.8
241.19777	1.4
244.91231	1.2
249.16476	2.5
251.18044	2.8
253.19653	1.4
257.19208	1.4
263.17957	2.2
265.19614	3.0
271.20557	1.4
275.20212	1.2
279.20981	1.3
293.22821	1.7
311.20099	1.1
321.22070	1.9
323.23782	1.4
335.23563	1.4
337.25052	1.7
351.27164	2.4
365.28632	2.1
377.28296	1.3
379.30347	1.4
447.32703	2.3
499.39795	2.8
517.40540	13.6
535.41632	6.8
541.39551	1.3
573.42914	2.7
591.43921	13.5
609.45166	100.0
610.45477	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4513
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03945	2.8
54.00225	0.9
55.01862	3.5
55.05515	15.0
57.03428	3.6
57.07079	1.6
65.03937	2.4
67.05508	28.9
69.07072	15.0
70.32059	0.9
70.38835	0.9
71.01479	2.3
71.05012	1.5
75.01885	1.1
79.05496	25.9
81.07059	32.5
83.04992	2.8
83.08643	7.0
84.07491	1.1
85.06584	1.7
91.05486	21.0
91.06023	1.8
93.07054	22.4
94.13283	1.1
95.04984	2.4
95.08612	26.0
97.06545	4.1
97.10190	3.8
105.07037	23.6
107.04948	1.4
107.08600	15.5
109.06549	1.9
109.10150	10.6
109.52579	0.9
115.05454	1.7
117.07018	14.3
119.08583	19.1
121.10146	8.9
123.08118	1.7
123.11736	1.9
125.09667	1.1
128.06242	2.7
129.07027	10.5
131.08578	18.2
133.10130	14.8
135.11668	6.8
137.13377	0.9
141.07021	4.5
142.07799	2.9
143.08574	11.6
145.10124	18.0
147.11699	8.3
149.09601	1.8
149.13281	4.5
153.06993	1.0
154.07777	1.8
155.08546	11.8
156.09328	1.8
157.10126	13.1
159.11694	11.6
161.13289	4.1
163.11174	2.1
163.14899	2.0
165.07014	1.5
167.08618	4.6
168.09381	1.8
169.10138	11.6
170.10950	1.1
171.11688	12.2
173.13252	6.2
175.14861	2.3
179.08653	2.5
179.14337	1.0
180.09349	1.1
181.10162	6.8
182.11090	1.0
183.11722	11.6
185.13260	6.9
187.14861	3.1
189.16495	2.0
193.10158	2.0
195.11694	7.3
197.13303	7.7
199.13239	1.6
199.14790	6.0
201.16351	1.3
207.11797	3.0
209.13271	5.7
211.14818	6.4
213.16464	3.6
215.14449	1.4
221.13318	2.8
223.14790	2.6
225.16403	4.8
227.18005	2.0
235.14908	1.8
237.16457	2.9
239.18057	3.9
241.19696	1.2
247.14998	1.4
251.18011	2.5
257.19055	4.0
265.19577	1.8
267.21240	1.1
275.20117	10.6
278.80988	1.0
283.20453	1.0
309.22260	1.9
335.26184	1.9
337.25159	1.3
351.26859	2.8
353.24652	1.4
365.28381	2.4
447.32617	2.7
470.23706	1.1
517.40448	9.3
535.41669	5.4
553.41791	1.4
591.44409	9.4
609.45148	100.0
610.45422	3.2
613.18628	1.2
624.61658	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01872	2.0
55.05516	15.2
57.03445	4.5
57.07072	2.6
65.03943	1.6
65.21703	0.4
65.22057	0.5
67.05508	25.6
69.03430	0.9
69.07072	14.8
69.74284	0.5
71.05000	1.6
71.08625	0.5
79.05496	18.0
81.03404	0.9
81.07061	24.6
83.04964	1.0
83.08624	7.0
85.06544	1.2
91.05485	16.9
93.07047	18.2
95.04984	2.0
95.08616	20.4
97.06548	2.3
97.10183	4.6
98.20628	0.9
98.21333	2.9
99.08110	0.7
103.05496	0.6
105.04605	0.6
105.07037	16.5
107.08601	13.1
109.06522	1.0
109.10161	8.5
109.10833	0.8
111.08076	1.5
115.05421	1.4
116.06255	0.9
117.07023	8.5
119.08586	14.7
121.06519	0.6
121.10147	6.5
123.08111	1.0
123.11694	3.2
124.35982	0.5
125.09678	1.2
128.06212	3.6
129.07011	12.0
130.07747	0.7
131.08575	14.5
133.10144	11.0
135.08054	0.8
135.11693	4.6
137.13300	1.0
141.06987	5.3
141.09045	0.6
142.07788	3.3
143.06859	0.7
143.08566	17.0
144.09267	0.9
145.10127	13.1
147.11714	5.8
149.13268	2.2
151.11124	0.6
153.07002	1.7
154.07831	2.2
155.08568	15.3
156.09349	1.6
157.10136	15.3
158.10724	0.8
159.11696	11.5
161.13246	3.2
163.14804	1.2
165.07053	1.6
166.07700	0.9
167.08583	6.3
167.09854	0.6
168.09389	2.2
169.10136	16.8
170.10866	1.0
171.11702	12.4
173.13283	6.4
175.14828	1.8
179.08617	3.3
180.09282	1.3
181.10138	11.7
182.10910	1.8
183.11702	16.1
185.13280	9.8
185.14848	0.8
187.14845	4.1
189.16370	1.1
191.08594	0.9
193.10167	4.1
194.10863	0.8
195.11699	10.9
196.12416	1.1
197.13264	13.4
197.15025	0.9
199.14857	6.0
201.16463	2.2
207.11743	3.6
208.12376	0.7
209.13266	9.2
211.14832	9.4
212.15614	0.6
213.16393	5.4
215.18091	0.9
219.11800	1.3
221.13216	3.6
223.14824	7.4
225.16391	5.4
227.18071	3.8
229.16013	0.5
233.13324	1.1
235.14870	3.9
237.16402	4.9
239.18015	3.5
241.19589	2.0
246.13971	0.8
247.14883	1.1
249.16544	2.1
251.17882	3.2
253.19559	1.9
255.21124	1.3
257.19061	0.8
263.17877	1.2
265.19559	2.0
267.21146	1.2
275.20233	0.7
279.21146	0.8
281.22812	0.8
283.20581	0.8
285.22104	1.1
291.21100	0.8
293.19052	0.5
293.22610	1.0
295.20673	1.1
297.22092	0.9
299.20282	0.7
305.22644	0.9
307.20779	0.7
311.20261	1.3
311.23907	1.1
313.21774	0.7
321.22150	1.8
323.23901	1.7
325.21933	0.7
335.23743	1.2
337.21722	0.9
337.25406	1.7
339.23199	1.1
339.26868	0.8
341.24780	1.3
344.93680	0.6
347.23315	0.7
349.25281	1.1
351.26926	2.7
353.24680	1.0
365.24518	1.2
365.28558	2.1
367.26443	0.7
369.27960	0.9
375.26157	0.6
377.28586	0.9
379.30191	1.3
381.27771	1.0
391.29849	0.8
393.31839	1.1
397.31390	0.8
405.31805	1.1
407.29428	1.1
409.31262	1.0
421.31058	0.9
433.30554	1.0
435.32733	1.1
437.33310	0.7
447.32773	1.2
449.33853	0.7
461.33990	0.9
475.35425	0.9
487.34116	1.0
499.39517	2.5
507.34528	1.0
517.40479	16.1
525.35925	0.7
535.41675	7.8
539.37640	1.9
553.42261	0.6
573.43176	2.5
591.44189	15.9
609.45154	100.0
610.45544	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18763	5.2
55.01876	5.9
55.05513	22.9
56.15820	4.4
57.03431	7.6
57.07074	9.9
58.76114	4.5
62.62356	4.2
67.05517	28.8
69.03426	13.4
69.07071	45.6
69.43770	13.2
69.44170	25.0
70.06585	14.7
71.04976	6.6
73.02914	7.1
79.05489	12.8
81.03413	13.2
81.07059	100.0
83.04995	9.0
83.08614	14.7
85.02882	19.1
85.06535	21.5
86.09734	5.8
90.59335	4.5
91.05489	17.5
93.07046	48.0
95.01349	5.7
95.04948	14.4
95.08616	76.8
96.08887	5.1
97.02879	8.6
97.06522	12.5
97.10175	19.5
98.20777	7.8
105.07033	27.7
107.04951	8.5
107.08593	45.5
109.02856	9.8
109.06544	7.1
109.10172	36.2
111.00864	5.9
111.04404	10.4
111.08066	15.4
111.11722	8.8
119.08585	22.3
121.06547	11.2
121.10136	37.2
123.04401	10.4
123.11728	52.5
125.09601	13.8
127.03914	23.1
127.09505	7.2
133.10132	17.7
135.11685	21.2
136.07607	5.8
137.05977	13.6
137.13208	11.8
139.03903	75.2
139.11174	17.4
141.01797	13.1
143.08566	5.7
145.04926	5.1
145.10173	11.7
147.04454	6.2
147.11671	18.7
149.13245	31.7
151.03938	59.8
151.07504	8.0
151.11159	7.6
153.01808	27.4
153.12704	9.1
159.11705	9.6
161.05978	6.9
161.13222	15.1
161.58788	4.8
163.03873	7.5
163.14806	10.2
165.12729	7.3
167.07028	6.0
175.14813	5.3
179.03438	18.5
181.04968	18.5
189.16389	7.3
201.90215	5.2
203.03403	6.9
243.15945	23.9
245.04414	14.2
257.04541	6.7
263.05450	10.7
275.23697	7.8
287.05560	21.6
287.23608	6.5
305.24832	26.0
367.28400	19.7
379.28162	26.4
397.29428	41.3
415.30225	5.5
423.07108	7.9
537.28741	4.9
609.23779	15.6
622.63965	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	609.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	1.4
53.03940	2.6
55.01864	2.9
55.05515	17.9
57.03437	5.4
57.07064	5.9
59.04994	2.0
61.02931	2.0
64.39704	1.5
65.03950	3.3
67.05511	28.8
68.99811	1.4
69.03454	3.9
69.06730	2.6
69.07073	34.5
70.06616	1.6
70.67242	3.2
70.67592	2.1
71.01343	1.4
71.04996	1.8
73.02915	1.4
79.05493	14.4
81.03381	1.6
81.07062	100.0
81.41850	1.4
83.04995	3.1
83.08624	8.2
85.02905	6.1
85.06549	8.6
91.05495	6.6
93.07052	38.3
95.01331	3.6
95.04983	2.9
95.08614	72.4
97.02902	3.6
97.06526	6.5
97.10178	19.3
99.08107	2.7
103.03948	5.0
105.04503	1.4
105.07038	15.7
107.08601	40.3
109.02850	2.0
109.06521	2.7
109.10158	26.4
111.00826	1.4
111.04446	1.9
111.08097	14.4
111.11719	8.8
113.02355	3.4
113.09683	1.4
119.08583	13.4
121.10150	26.5
123.04423	3.7
123.08072	3.5
123.11713	72.9
125.09662	3.8
127.03970	3.0
131.03375	1.8
131.08577	3.3
133.10132	12.3
135.11696	14.6
137.06032	1.5
137.13245	16.6
139.03914	90.6
139.11195	17.6
141.01817	5.8
141.12737	3.4
145.10118	3.8
147.11685	11.8
149.13266	42.8
151.03909	42.0
151.05106	2.5
151.11191	4.2
153.01836	2.2
153.12738	9.5
157.10181	2.4
157.12253	5.6
159.11633	4.4
161.13261	8.8
163.03978	2.9
163.11223	2.6
163.14835	7.1
165.12810	4.3
167.14363	1.6
169.12250	2.1
171.11734	1.9
171.13908	2.0
175.14845	4.5
177.16298	3.4
179.03354	2.0
187.13327	3.6
189.16365	4.4
191.14322	1.8
192.48602	1.4
203.86443	1.5
207.17528	1.6
213.16383	2.0
217.19582	4.4
221.19000	1.8
235.16927	2.1
235.20509	1.9
237.18689	1.9
241.14345	11.4
243.15935	31.0
249.18449	2.1
255.15944	4.3
259.15332	6.7
259.24289	1.5
263.05716	1.7
269.22736	4.2
273.16928	2.5
275.23758	4.2
277.25299	4.3
285.17084	3.0
287.05484	1.5
287.23761	12.3
289.07025	2.4
293.24844	3.3
305.24765	33.3
323.25739	5.9
331.05838	1.7
341.23328	2.0
342.06473	1.6
367.28525	21.1
379.28476	33.8
385.29459	4.6
397.24170	1.9
397.29489	37.8
401.18338	1.6
414.03085	1.4
415.30402	10.6
452.17972	1.9
485.01453	1.5
506.31360	1.4
543.32031	2.2
555.30621	1.6
573.32800	1.6
591.33691	2.3
615.61884	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01627	0.7
55.01876	7.0
63.11231	0.6
67.43148	0.7
68.99794	1.2
69.03388	0.7
70.06262	0.8
70.06602	10.4
71.51187	0.9
74.33048	0.6
84.04519	1.8
91.05492	1.2
93.07056	0.9
96.04498	31.8
101.54178	0.8
103.05499	1.4
107.04974	1.7
114.05537	100.0
121.06508	7.2
122.06038	1.6
123.04412	0.8
127.03918	1.0
129.43210	0.6
130.12315	0.6
131.04886	0.7
131.07140	0.6
135.04407	4.7
136.07658	0.7
139.03917	17.5
149.05992	5.5
150.05547	2.2
151.03917	1.4
153.01811	1.9
159.04417	1.3
163.03905	8.9
165.05444	1.0
169.05104	0.8
173.06062	0.8
174.07796	0.6
177.05476	72.1
178.05824	0.8
179.03502	1.4
181.04948	3.8
181.57700	0.7
188.07097	0.8
189.05499	1.6
198.90054	0.6
203.03519	0.7
207.45782	0.7
242.08354	0.9
260.09152	1.6
263.05695	0.8
278.10364	0.7
281.96100	0.8
287.05466	1.1
290.10260	1.3
300.92523	0.7
308.88211	0.8
345.09692	20.6
402.15652	1.4
406.09662	0.9
428.13531	5.3
446.14493	38.7
447.14423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01627	0.7
55.01876	7.0
63.11231	0.6
67.43148	0.7
68.99794	1.2
69.03388	0.7
70.06262	0.8
70.06602	10.4
71.51187	0.9
74.33048	0.6
84.04519	1.8
91.05492	1.2
93.07056	0.9
96.04498	31.8
101.54178	0.8
103.05499	1.4
107.04974	1.7
114.05537	100.0
121.06508	7.2
122.06038	1.6
123.04412	0.8
127.03918	1.0
129.43210	0.6
130.12315	0.6
131.04886	0.7
131.07140	0.6
135.04407	4.7
136.07658	0.7
139.03917	17.5
149.05992	5.5
150.05547	2.2
151.03917	1.4
153.01811	1.9
159.04417	1.3
163.03905	8.9
165.05444	1.0
169.05104	0.8
173.06062	0.8
174.07796	0.6
177.05476	72.1
178.05824	0.8
179.03502	1.4
181.04948	3.8
181.57700	0.7
188.07097	0.8
189.05499	1.6
198.90054	0.6
203.03519	0.7
207.45782	0.7
242.08354	0.9
260.09152	1.6
263.05695	0.8
278.10364	0.7
281.96100	0.8
287.05466	1.1
290.10260	1.3
300.92523	0.7
308.88211	0.8
345.09692	20.6
402.15652	1.4
406.09662	0.9
428.13531	5.3
446.14493	38.7
447.14423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
65.03928	2.0
68.99788	2.0
69.03413	1.0
70.62691	1.5
70.63040	1.1
73.28259	0.8
79.01860	4.9
81.03413	1.2
81.58378	0.7
83.04985	0.9
93.03397	1.4
95.52962	0.7
97.02866	1.0
107.04957	0.9
111.04446	4.8
121.02871	0.8
123.04434	2.6
125.02357	2.1
127.03965	1.0
135.04352	0.9
136.07431	0.8
139.03905	100.0
140.04251	1.2
143.03407	3.9
151.03958	5.6
153.01839	51.7
153.02942	4.5
153.05495	2.4
157.89870	0.8
163.03909	36.5
181.04964	10.4
194.06113	1.1
200.07150	1.2
212.07088	6.0
216.82005	0.8
222.05507	2.2
224.06975	1.0
228.06612	2.5
229.07353	0.9
230.08151	5.4
239.05797	1.1
240.06566	36.9
241.07355	10.5
242.08069	0.9
244.06114	1.9
250.05054	4.1
252.06635	2.9
253.07449	4.3
254.08115	8.9
256.06174	2.4
258.07709	3.3
259.08383	5.0
268.06055	30.4
270.07761	0.9
276.08716	1.0
280.06030	4.6
282.07669	2.7
284.09189	2.9
286.07013	3.9
288.08694	1.9
298.07172	1.1
300.08658	6.3
312.08783	4.2
318.09741	2.3
333.06134	6.3
360.08698	2.5
378.09726	10.9
379.10635	4.4
388.08206	3.4
406.09229	15.1
420.10715	2.4
424.10794	1.8
438.11789	5.1
456.12888	2.4
470.11057	3.0
549.12891	1.7
576.11365	2.9
590.12524	1.7
608.13947	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	608.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.9
55.01871	0.9
55.05503	0.5
62.53474	0.4
65.03924	1.6
67.05517	0.7
68.99792	2.2
69.03433	0.8
70.06564	0.6
71.50455	0.5
79.01862	5.5
81.03407	0.5
82.35255	0.4
83.04980	1.3
93.03407	1.3
97.02872	1.1
107.01352	1.2
107.04936	0.4
111.04450	5.5
121.02847	1.0
121.06506	1.4
123.04427	2.0
125.02348	2.8
127.03912	0.5
135.04398	1.1
137.06039	0.4
139.03911	100.0
143.03418	5.3
147.04355	0.6
151.03943	4.2
153.01846	48.9
153.02957	4.9
153.05424	2.0
163.03917	29.3
166.50861	0.5
167.03445	0.9
181.04958	4.1
184.07625	0.9
194.06012	0.8
196.07623	0.8
198.05515	0.8
199.06238	0.4
200.07088	1.4
208.74200	0.5
211.06270	0.5
212.07094	5.4
212.40494	0.5
214.04906	0.5
216.06593	2.6
217.07411	0.8
222.05606	1.3
224.07138	1.6
228.06487	3.6
229.07390	2.1
230.08122	9.8
239.05783	0.8
240.06577	27.7
241.07347	7.6
241.09669	0.7
242.08173	0.9
243.05399	0.5
244.06081	3.5
250.04944	2.6
251.05679	0.7
252.06575	1.9
253.07376	2.3
254.08127	5.8
256.06094	2.9
257.06650	0.5
258.07620	4.5
259.08417	8.0
260.09344	0.6
264.06586	0.7
268.06061	23.6
270.07718	1.0
272.09488	0.8
276.08704	1.2
280.06042	2.4
282.07751	0.5
285.06329	0.6
286.07120	4.9
288.08688	2.5
294.07596	1.2
298.07108	1.8
300.08713	10.0
312.08701	1.9
318.09900	4.9
322.07303	1.0
332.09329	1.0
333.06125	1.7
346.07501	0.4
351.07248	0.7
360.08704	2.0
361.09512	0.5
376.08020	0.6
377.09033	0.5
378.09750	11.9
379.10468	3.9
388.08279	2.1
396.10651	0.7
406.09244	7.2
407.16830	0.5
420.10892	5.1
424.10501	2.7
438.11975	6.1
456.12903	13.0
470.10889	3.1
548.11462	0.7
549.12463	2.5
558.10486	1.2
576.11456	1.6
590.12872	0.7
608.14020	30.0
609.14233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11693	0.7
53.03947	2.3
55.01879	2.6
55.05513	18.0
57.03444	4.0
57.07072	1.6
57.65477	0.6
65.03941	1.7
67.05511	28.1
69.03443	1.5
69.07075	13.8
71.04997	1.9
71.08616	0.8
79.05496	21.0
81.03434	2.7
81.07059	29.3
83.04999	2.3
83.08630	6.4
85.06563	0.9
91.05484	21.2
91.06018	1.4
93.07050	20.2
95.04974	3.2
95.08612	23.2
97.06512	4.2
97.10184	4.4
103.05486	1.1
105.07037	21.2
107.04972	1.5
107.08604	13.7
109.06555	1.9
109.10170	9.0
111.08125	2.2
115.05499	1.5
117.07022	12.0
119.08588	17.9
121.06525	1.2
121.10154	7.7
123.08077	0.9
123.11773	2.2
125.09673	2.2
125.13190	0.9
128.06198	4.2
129.07002	10.2
130.07822	0.8
130.72534	0.8
131.08572	14.8
133.06541	0.9
133.10129	10.6
135.08090	1.0
135.11722	3.8
137.09648	1.1
137.13318	0.9
141.06992	6.1
142.06834	0.8
142.07837	2.8
143.08566	13.4
145.10132	13.1
147.11691	6.9
149.09644	1.9
149.13316	2.3
153.07072	2.2
154.07825	2.4
155.08563	11.0
156.09412	1.6
157.10141	11.6
159.11705	8.9
159.12885	0.9
161.09651	0.9
161.13318	3.1
163.11232	1.5
165.07097	2.7
166.07791	1.5
167.08578	8.8
168.09384	2.1
169.10136	16.5
171.11690	9.1
173.13274	5.6
175.14886	1.9
177.12781	1.4
178.07822	1.0
179.08542	5.7
180.09415	1.2
181.10144	13.6
182.11006	2.1
183.11707	14.6
183.13199	1.1
185.13261	7.5
187.11275	1.0
187.14911	2.9
191.08614	1.5
192.09332	1.0
193.10161	6.3
194.10965	1.8
195.11703	12.3
195.13434	1.2
196.12544	1.7
197.13263	10.5
199.14828	4.0
201.16505	1.4
204.09451	0.8
205.10173	2.3
206.10966	1.3
207.11729	7.6
208.12517	1.3
209.13251	10.7
211.14781	6.4
213.16446	2.6
215.18025	1.4
219.11703	2.4
220.12543	1.3
221.13257	6.5
222.14125	1.0
223.14867	7.2
225.16402	4.9
227.18149	1.5
231.11806	1.0
233.13354	2.7
234.14105	0.8
235.14821	3.7
237.16406	5.7
239.17978	3.5
241.19783	1.6
245.13492	1.2
247.14867	2.5
249.16562	2.5
251.17967	3.7
253.19714	1.0
255.17363	0.9
257.19122	1.7
259.20740	2.0
261.16367	1.3
263.18027	3.0
265.19720	2.6
267.21286	1.0
273.18658	1.0
275.20319	5.5
277.19550	1.4
279.21213	1.3
285.18857	1.0
289.19623	1.0
293.22961	0.9
295.20660	1.1
297.22348	1.2
307.20645	1.6
315.23410	1.4
319.20712	1.6
321.22217	1.0
327.22897	0.7
330.89655	0.7
335.23657	1.5
339.23505	0.9
347.23730	1.0
349.25278	2.3
353.24915	0.9
359.23508	1.3
359.27441	0.8
361.25436	1.3
363.26956	3.0
365.28683	1.7
367.26468	1.1
377.28986	1.6
389.28522	1.3
391.30118	1.5
403.30331	1.1
407.29755	0.9
421.31293	1.8
445.31131	1.6
447.32678	1.0
473.34100	0.8
497.37961	2.1
515.38885	10.2
519.35004	0.8
533.39868	7.3
537.35248	1.4
538.36823	1.4
551.41296	4.4
571.41827	2.0
589.42438	6.8
607.43823	100.0
608.44446	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	607.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01871	2.8
55.05515	16.0
57.03452	3.1
57.03698	0.7
57.07077	1.7
59.04980	0.8
65.03947	1.9
67.05510	27.6
67.14688	0.8
69.03448	1.6
69.06727	1.3
69.07075	15.6
69.31268	4.8
71.04995	2.3
77.03922	0.7
79.05500	22.1
81.03426	1.9
81.07066	28.0
83.04989	2.3
83.08618	6.3
85.06557	1.4
90.74225	0.6
91.05489	20.5
93.07054	17.9
95.04982	2.3
95.08614	23.8
97.06526	3.3
97.10191	3.3
98.21169	2.9
99.08107	1.5
105.04539	0.6
105.07034	19.0
107.04986	1.4
107.08603	11.5
109.06546	0.8
109.10154	8.2
111.08079	0.9
115.05455	1.8
117.07022	10.2
119.08596	14.6
121.06532	0.8
121.10152	8.3
123.08079	1.9
123.11717	2.2
125.09678	1.3
128.06221	3.3
129.07016	10.1
129.07910	1.0
130.07835	1.2
131.08592	13.5
133.10129	11.5
135.08073	0.9
135.11693	3.9
137.09665	1.0
137.13222	0.8
138.46179	0.6
141.07019	6.2
142.07756	3.7
143.08566	10.7
145.10133	12.6
147.08047	0.7
147.11699	5.9
149.09705	0.6
149.13310	2.4
152.12300	0.6
153.06999	3.4
154.07831	2.2
155.08553	13.2
156.09380	2.0
157.10147	11.1
157.11328	0.9
159.08131	0.8
159.11708	8.6
161.13321	2.0
165.07028	2.6
165.09328	0.7
166.07809	2.6
167.08594	7.9
168.09364	2.7
169.10153	14.7
170.10878	1.0
171.11700	9.4
172.12326	0.9
173.13277	5.8
175.14853	1.3
179.08582	5.5
180.09393	2.5
181.10146	11.6
182.10944	1.9
183.11719	12.9
183.13284	1.2
184.12347	0.8
185.13295	6.0
187.14856	2.7
191.08708	1.2
192.09282	1.1
193.10172	8.7
194.10950	2.8
195.11717	12.4
195.13602	0.6
196.12578	1.5
197.09535	0.7
197.13280	10.7
199.11333	0.6
199.14851	4.6
201.16414	1.9
203.14288	0.8
205.10179	3.1
206.10919	1.1
207.11700	6.4
208.12477	1.1
209.09781	0.7
209.13268	11.3
211.14821	5.4
213.16492	2.4
215.18066	0.9
218.10852	0.7
219.11656	3.1
220.12523	0.9
221.13255	7.8
223.14850	7.5
224.15662	0.8
225.16426	3.5
231.11752	1.1
233.13333	2.7
235.14795	5.0
236.15700	0.8
237.16328	5.7
239.17960	3.5
241.19598	1.6
243.17439	0.8
245.13330	1.0
247.14914	1.9
249.16464	2.6
251.18120	3.6
253.19762	1.1
255.17403	0.9
259.14886	1.1
259.20685	2.0
259.45178	0.7
261.16473	1.9
263.17868	1.5
265.19528	2.0
271.20584	0.7
275.17603	1.2
275.20233	2.8
277.19531	1.9
279.21097	1.3
289.19272	0.9
291.21048	0.9
295.20419	0.9
297.22012	0.9
307.20776	1.0
307.24319	1.3
309.22247	0.8
313.21738	1.1
319.20764	1.0
321.22119	1.2
324.70578	0.7
325.21729	1.0
331.23276	0.7
333.22147	1.0
335.23904	1.7
339.23077	0.8
347.23871	0.7
349.25381	1.8
351.23337	1.3
361.25305	1.4
363.26910	2.7
365.24716	1.1
375.27051	1.6
377.28397	1.6
379.26337	0.9
389.28519	1.0
391.30264	1.7
403.30188	1.1
419.29550	1.0
433.31128	1.2
445.30472	1.7
447.32529	1.5
473.34311	1.0
497.37863	1.4
505.40802	0.7
515.39026	12.1
519.35052	0.7
523.34723	0.8
533.40027	7.6
537.35364	1.2
538.36682	1.3
539.37036	1.0
551.41681	3.1
571.41156	1.6
589.42743	7.5
607.43604	100.0
608.44287	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
55.01873	8.1
55.05275	1.4
55.05516	21.0
57.03430	5.5
57.07074	2.0
65.03940	3.9
67.05508	46.7
69.03421	2.7
69.06731	2.1
69.07076	30.2
69.28468	11.0
71.05011	2.3
77.03951	2.6
79.05496	39.8
81.03423	11.8
81.07059	52.6
83.04994	7.5
83.08621	8.9
85.06537	2.0
91.05487	56.0
93.07052	43.5
95.01313	6.9
95.04964	9.0
95.08609	33.7
97.02898	1.9
97.06546	12.4
97.10184	4.3
99.08080	2.1
103.05486	2.0
105.04515	2.0
105.07039	63.4
107.04964	11.0
107.08595	20.7
109.02826	1.5
109.06557	3.4
109.10155	12.3
111.08124	3.1
115.05478	3.5
116.78648	1.2
117.07025	20.9
119.08585	36.5
121.06540	3.7
121.10147	12.9
123.04459	1.2
123.08083	4.0
123.11702	3.0
125.09662	2.8
127.03933	1.4
128.06235	4.1
129.07002	12.0
131.08582	26.0
133.10132	36.0
135.08083	2.7
135.11694	9.6
137.09601	1.5
137.13182	1.2
141.07010	4.5
142.07825	1.9
143.08568	15.2
144.09341	1.9
145.06491	1.8
145.10135	23.7
146.10928	1.4
147.08049	2.2
147.11684	20.5
149.09706	3.4
149.13277	5.5
153.06981	1.2
155.08553	10.0
156.09306	1.4
157.10136	12.2
159.11703	19.5
161.09608	1.2
161.13300	7.2
163.11197	3.5
163.14674	1.4
165.06937	1.6
165.09125	1.3
166.07774	1.8
167.08539	6.4
168.09361	2.0
169.10139	11.7
171.07990	1.6
171.11717	11.4
173.13313	7.3
175.11189	1.6
175.14900	3.2
177.12758	3.4
178.82253	1.1
179.08600	3.6
179.14322	6.9
179.73085	1.2
181.10143	9.0
183.11745	10.4
183.29236	1.3
185.13297	8.1
187.11232	1.8
187.14838	4.0
193.10187	3.9
195.11710	10.1
195.13576	1.8
197.13277	9.6
199.14857	4.6
205.10211	1.8
205.12167	1.5
207.11760	4.8
208.12480	1.6
209.13354	8.0
209.15092	1.2
211.14857	4.1
213.16530	2.3
215.17952	1.6
219.11754	2.2
219.13864	1.2
221.13324	5.0
223.14885	4.3
225.16454	2.8
227.18033	1.3
233.13354	2.2
235.14842	3.3
237.16418	2.9
239.17982	3.4
241.19656	6.9
249.16504	2.8
251.17911	1.9
257.19080	3.7
259.20541	8.6
263.17899	2.7
265.19543	1.6
273.18503	2.1
275.20090	35.7
293.21191	2.6
295.20767	1.4
297.22302	1.3
315.23306	8.2
321.22083	1.7
339.18082	1.4
349.24130	5.4
391.29861	2.6
395.13654	1.4
417.32095	1.6
447.15057	1.4
515.38928	6.3
533.39380	7.1
551.40955	3.5
589.42371	4.4
607.35028	6.8
607.43573	100.0
608.43915	1.9
630.52301	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01869	2.1
55.05265	1.2
55.05513	14.1
57.03422	3.6
57.07066	1.3
62.14926	0.7
65.03925	2.2
67.05507	24.4
69.07072	11.9
69.57498	4.8
71.04983	1.4
73.94275	0.8
79.05493	16.3
81.03451	1.8
81.07057	23.4
83.04984	1.6
83.08618	7.7
85.06546	1.8
91.05481	16.7
93.07048	17.3
95.04958	2.1
95.08608	20.1
97.06541	2.8
97.10157	3.9
98.21561	0.8
99.08093	1.0
105.07036	16.7
107.05005	1.1
107.08598	11.8
109.06519	1.6
109.10165	8.1
110.77682	0.8
111.08080	1.4
111.11699	0.8
115.05431	1.0
117.07030	8.2
119.08590	12.7
121.10159	6.5
123.08067	1.7
123.11697	3.4
125.09638	1.6
128.06235	2.6
129.07001	10.6
130.07779	1.1
131.08577	11.6
133.10132	9.4
135.11664	4.1
137.13234	1.4
139.11183	0.8
141.06984	5.7
142.07777	3.2
143.08563	13.0
144.09337	1.0
145.10112	12.0
147.11684	5.5
149.13306	2.2
151.11229	1.0
153.07036	2.1
154.07780	1.5
155.08553	14.1
156.09340	2.6
157.10123	12.8
159.11728	6.9
161.13264	2.8
165.07005	3.3
166.07808	1.9
167.08569	10.6
168.09346	2.6
169.10121	15.4
171.11702	10.9
173.13280	5.7
179.08566	5.9
179.14339	0.8
180.09352	2.5
181.10124	11.8
181.11633	1.1
182.10851	1.1
183.11697	12.0
185.13211	7.0
187.14838	2.9
189.16478	0.9
191.08614	1.4
192.09377	2.0
193.10136	6.5
194.10934	2.4
195.11705	12.5
195.13419	1.0
196.12587	1.5
197.13252	9.6
199.14781	4.4
201.16351	2.0
204.09299	0.8
205.10112	2.6
207.11693	9.2
208.12476	1.6
209.13272	12.9
211.14842	6.6
213.16446	1.7
219.11630	3.9
220.12547	1.3
221.13213	6.9
222.14061	1.8
223.14801	8.6
225.16463	5.3
227.18149	1.2
233.13332	2.7
235.14822	6.9
237.16360	6.8
239.18025	2.7
245.13295	0.9
247.14784	1.8
249.16278	4.4
251.17860	3.8
252.57803	0.7
259.14905	1.1
259.20688	1.2
261.16391	2.0
263.18048	2.5
265.19525	2.2
275.20264	1.8
277.19568	2.4
279.20987	0.9
289.19595	1.1
291.21152	1.2
303.20874	0.9
311.20096	0.8
319.20840	1.6
321.22171	2.0
323.23807	1.4
325.21674	1.0
333.21887	1.2
335.23810	1.5
337.25278	1.5
339.23242	1.4
345.22369	1.1
347.23776	2.2
349.25320	2.9
353.24582	1.0
361.25110	1.2
363.26929	2.2
365.28806	1.1
375.26901	1.2
377.24460	1.1
377.28680	1.6
381.27863	1.2
389.28625	1.1
391.30054	0.9
403.30161	1.5
407.29413	1.5
433.30887	1.2
435.32837	1.4
437.31323	0.8
445.30960	2.2
447.32669	1.0
459.32565	1.0
463.31705	0.8
497.37918	1.9
509.35706	1.2
515.38806	13.7
519.35150	0.8
533.39929	9.9
537.35791	2.1
538.36505	1.8
539.36407	0.8
551.40820	2.5
571.41620	1.8
589.42542	12.5
607.43597	100.0
608.44220	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68985	2.2
52.93715	2.1
53.03935	8.6
55.01862	5.6
55.05519	28.8
57.03432	9.7
57.07087	3.2
61.44450	2.3
65.03941	6.4
67.05511	80.9
69.03438	19.9
69.07076	25.2
71.01593	4.6
71.05000	8.4
74.64790	2.1
79.05499	52.3
81.03425	85.3
81.07063	95.1
83.04995	15.5
83.08622	19.6
85.02901	8.2
85.06549	5.5
90.40421	3.0
91.04972	4.0
91.05486	43.9
93.07050	63.5
94.07388	2.0
95.04980	9.7
95.08624	32.2
96.40123	2.2
97.02896	15.5
97.06554	14.7
97.10189	4.0
99.04447	6.3
99.08150	2.6
103.05435	3.4
105.07045	28.0
107.04974	7.4
107.08606	33.3
109.02897	15.1
109.06538	7.7
109.10161	8.6
111.04455	9.0
111.08101	7.6
117.07036	12.8
119.08617	16.5
121.06535	5.9
121.10158	23.1
123.04423	3.9
123.08113	4.8
123.11693	6.7
127.03941	11.4
129.07054	4.9
131.04997	3.1
131.08585	17.3
133.06500	5.3
133.10126	15.8
135.08066	3.9
135.11707	7.6
139.03998	2.9
142.54074	2.6
143.08597	4.6
145.06485	5.0
145.10165	5.2
147.11693	17.9
149.09650	3.3
149.13286	24.9
154.98790	2.8
155.08578	3.5
157.10172	4.8
159.08008	2.8
159.11719	18.4
161.13263	2.9
163.11197	3.5
165.12762	4.6
169.10098	3.8
173.04491	4.0
177.12770	10.4
183.06616	2.9
185.13400	3.5
191.10741	2.6
195.13899	19.1
213.11115	2.5
213.14888	3.6
267.16058	5.6
269.17493	15.5
303.16077	3.4
321.17130	7.0
339.18164	10.4
362.93814	2.7
395.20630	11.4
445.29626	11.1
463.30640	13.6
589.33295	5.2
607.34827	100.0
608.35767	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	607.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.2
55.01874	6.6
55.05518	22.9
57.03445	7.3
57.46008	1.5
65.03944	4.0
67.05511	71.9
67.26513	1.2
69.03433	22.1
69.07072	20.6
71.01351	1.9
71.05000	8.5
71.21590	2.0
71.98240	1.4
79.05501	53.3
81.02943	2.7
81.03425	77.9
81.07064	100.0
83.04990	14.3
83.08630	14.3
85.02914	8.2
85.06564	6.9
91.05492	43.0
93.07051	64.3
95.04966	10.8
95.08617	28.3
97.02898	12.0
97.06556	12.5
97.10187	3.5
99.04465	4.7
99.08091	3.6
103.05446	1.5
105.04527	2.2
105.07044	24.7
107.04948	6.3
107.08604	32.5
109.02883	12.8
109.06541	6.7
109.10175	5.3
109.88969	1.2
111.04433	8.9
111.08101	6.3
115.05468	1.4
116.06268	1.8
117.07053	12.1
119.06102	1.5
119.08581	13.2
121.06529	7.3
121.10147	21.1
123.08063	4.1
123.11736	8.8
125.09698	1.4
127.03927	8.1
127.07589	1.5
128.06267	2.6
129.05542	1.7
129.07027	5.2
131.04897	1.8
131.08580	16.6
133.06473	2.4
133.10126	14.1
135.08070	3.7
135.11723	12.1
137.09581	1.6
139.03920	2.1
141.07001	2.7
143.08592	3.8
144.09270	1.2
145.06520	3.0
145.10153	4.5
146.40195	1.4
147.08028	2.7
147.11679	12.6
149.09685	1.9
149.13277	23.5
156.98715	1.4
157.10190	3.5
159.11710	13.8
161.09627	1.5
161.13278	1.9
165.12825	3.7
170.21417	1.5
171.11725	1.8
173.04510	2.6
173.13216	1.9
175.11154	2.8
177.12723	9.1
183.06573	2.4
183.11650	1.6
191.14363	1.5
195.07100	1.6
195.13799	20.8
197.13278	2.3
213.14853	3.7
219.13910	2.2
249.14899	1.7
253.18216	2.0
257.15445	2.2
261.14896	2.7
267.15979	5.0
269.17526	11.6
275.16397	3.4
287.16357	1.5
297.17050	2.7
303.16003	4.8
321.17062	5.8
339.18063	13.3
355.33414	1.4
377.19705	3.9
395.20724	14.5
445.29501	4.9
463.30594	13.9
482.08200	1.7
508.58234	1.6
571.33252	2.1
589.33832	5.7
607.34796	93.1
608.34717	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.4
55.01871	11.6
55.05272	2.6
55.05518	31.6
57.03436	10.1
57.07068	4.7
61.03856	2.3
61.41757	2.1
65.03940	5.6
66.72184	1.7
67.05510	81.7
69.03436	15.1
69.06726	2.8
69.07074	35.1
71.01335	2.0
71.04991	7.5
79.05499	58.2
81.03426	50.7
81.07065	100.0
83.04995	12.5
83.08622	17.4
85.02902	6.9
85.06544	4.2
91.05490	65.2
93.07052	75.1
95.01319	3.7
95.04979	11.5
95.08617	47.4
97.02911	8.8
97.06538	14.8
97.10158	5.0
98.20622	3.9
99.04456	2.8
99.08096	4.4
103.05462	2.5
105.07046	52.7
107.04969	11.8
107.08602	37.1
109.02880	12.8
109.06509	9.2
109.10179	13.3
111.04448	8.5
111.08080	5.9
113.06029	2.0
115.05392	1.9
117.07024	23.1
119.08588	36.8
121.06495	6.1
121.10146	28.2
123.04414	2.3
123.08068	4.1
123.11720	9.3
125.09615	3.2
127.03921	6.6
128.06212	2.8
129.07007	14.3
131.08586	31.4
133.06529	2.9
133.10153	28.8
135.08075	3.9
135.11713	10.8
141.07019	6.5
142.07765	2.8
143.08589	15.9
145.06487	2.4
145.10147	20.2
147.08092	3.9
147.11682	20.0
149.09608	3.8
149.13261	24.2
153.06914	3.1
155.08533	12.0
156.63020	2.1
157.06487	2.9
157.10141	13.4
158.65039	1.8
159.11710	20.0
161.09651	2.6
161.13304	7.6
163.11206	3.3
165.12811	4.8
167.08578	8.3
169.10123	13.7
171.11685	8.9
173.13271	7.0
177.12756	5.9
179.08614	2.4
179.10944	2.2
179.14343	6.6
181.10114	9.6
181.11816	1.6
183.11714	11.2
185.13260	7.0
187.14828	3.8
189.12720	2.3
193.10156	5.3
195.11722	8.2
195.13850	13.7
197.09624	2.1
197.13358	8.7
199.14766	4.6
201.12724	2.2
205.10287	2.1
207.11729	6.0
209.13315	8.8
211.14865	6.1
213.14699	2.4
219.11635	3.0
219.13750	2.5
221.13200	3.6
223.14821	5.2
225.16324	2.7
233.13025	2.9
235.14919	3.0
237.16512	2.5
239.18120	3.1
241.19699	2.0
259.20615	4.2
263.18146	2.2
267.15921	3.4
269.17456	11.0
275.20148	19.9
281.17368	1.8
285.17160	2.4
301.89114	2.5
303.16052	3.4
315.23218	5.6
321.16895	5.5
321.22092	2.1
339.18036	7.2
349.23871	3.6
371.25449	2.6
377.19717	3.0
395.20529	7.0
402.66470	2.1
445.20584	1.9
445.29764	7.1
463.30768	10.4
479.30356	2.3
493.34537	1.9
508.99246	1.9
509.35895	4.0
515.38824	8.5
533.39545	5.6
571.32465	2.5
589.33673	5.1
589.42462	4.8
607.26526	3.8
607.34503	66.3
607.43500	87.9
612.22546	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.5
53.03947	10.2
55.01864	6.9
55.05269	2.0
55.05512	29.9
57.03441	10.5
57.07094	3.1
62.77126	1.5
62.99959	1.6
65.03938	5.0
66.24011	1.6
67.05506	84.6
69.03426	17.1
69.07066	29.3
69.36613	5.1
69.37036	7.7
71.04983	6.5
73.02917	2.7
77.03898	2.7
79.05493	57.4
81.02932	1.9
81.03419	58.9
81.07057	100.0
83.04984	13.7
83.08621	18.9
85.02898	6.1
85.06550	6.3
91.05480	51.9
93.07047	64.6
95.04970	10.6
95.08608	46.4
97.02918	8.6
97.06547	14.1
97.10150	4.9
98.21438	3.5
99.04453	3.1
99.08064	2.7
105.04522	2.6
105.07037	32.9
107.04942	6.1
107.08595	38.0
109.02877	14.1
109.06511	5.0
109.10160	12.4
111.04460	8.0
111.08072	7.0
115.05440	3.8
117.07017	24.2
119.04938	1.5
119.08582	22.9
120.50607	1.6
121.06513	6.6
121.10139	22.4
123.04472	1.4
123.08096	2.2
123.11701	7.4
125.09642	2.7
127.03886	6.4
128.06201	4.5
129.05484	2.6
129.06992	11.9
131.04915	2.7
131.08575	24.6
133.06487	2.1
133.10127	20.7
135.08022	3.6
135.11682	9.6
141.06996	7.3
142.07776	3.4
143.08536	11.5
145.06459	2.2
145.10120	13.1
147.08046	2.8
147.11682	18.4
149.05980	1.9
149.09634	4.0
149.13271	20.5
153.05420	1.6
153.06950	1.7
155.08575	15.1
156.09309	2.4
157.10115	14.0
159.11702	16.2
161.13269	4.2
163.11176	2.9
165.06998	2.2
165.12744	4.5
167.08542	6.5
168.09242	1.7
169.10124	12.4
171.08058	2.3
171.11693	9.7
173.04492	3.3
173.13284	7.4
177.12753	8.1
179.08565	4.7
179.14346	2.0
181.10156	9.8
183.06543	3.6
183.11693	14.5
185.13248	7.0
192.09270	1.8
193.10164	7.7
194.10989	1.9
195.11717	8.9
195.13803	17.8
197.13235	7.6
197.23247	1.6
199.14792	2.8
201.16397	1.7
205.10246	1.9
207.11646	5.0
209.13277	7.8
211.14793	6.8
213.14725	2.9
219.11710	1.8
219.13765	2.6
221.13264	6.7
223.14809	6.4
225.16405	5.3
235.14818	3.0
237.16428	4.8
239.18015	3.2
247.14748	2.8
257.19077	2.1
259.20377	1.8
263.17795	1.8
267.13266	1.6
267.15942	5.2
269.17496	11.1
275.16513	2.7
275.20053	3.4
285.14792	2.3
297.16757	2.8
303.16119	2.2
321.16916	5.0
335.23816	2.3
339.18100	11.3
339.40857	1.7
347.23740	1.9
353.24655	1.7
363.26733	2.5
378.83145	2.0
389.81961	1.8
395.20508	8.1
445.29846	6.2
463.30527	11.5
497.37772	1.9
509.35617	2.3
515.38672	9.1
533.39813	6.0
538.35797	2.2
551.40594	3.2
571.40985	2.1
589.33691	3.9
589.42371	8.6
607.34363	88.7
607.43427	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.4
55.01865	7.1
55.05516	19.7
57.03443	9.2
57.03675	2.0
65.03944	4.3
67.05505	64.4
67.96694	2.1
69.03434	17.6
69.07066	21.7
71.04983	8.0
79.05494	41.0
81.02934	2.3
81.03419	59.5
81.07061	85.2
83.04987	14.5
83.08630	12.8
85.02911	4.8
85.06541	5.1
85.18201	1.7
86.09723	1.8
91.05486	35.0
93.07047	50.3
93.07633	2.4
95.04998	11.1
95.08607	25.2
97.02911	13.3
97.06551	9.5
97.10172	3.3
99.04457	3.1
99.08112	2.3
105.04487	2.1
105.07029	19.6
107.04964	4.5
107.08595	32.3
109.02877	10.8
109.06516	7.0
109.10170	5.7
111.04453	6.9
111.08095	3.8
115.05479	2.9
115.80515	1.7
117.07034	8.8
119.08578	12.9
121.06522	6.5
121.10154	19.0
123.08095	4.6
123.11710	6.4
125.05965	2.2
127.03925	7.3
129.05478	2.0
129.07034	6.7
131.08575	15.8
133.06482	3.2
133.10141	15.5
135.08095	4.8
135.11664	9.4
137.05952	2.2
139.03941	3.5
139.11211	2.8
141.07004	2.7
143.08540	3.8
145.06488	4.4
145.10133	4.5
147.08121	2.8
147.11711	10.3
149.09680	3.9
149.13271	21.5
151.07523	2.7
151.11243	2.2
157.10164	5.0
159.11682	12.2
163.03908	1.9
165.12755	4.5
171.11624	3.2
173.04460	4.4
173.13141	2.7
177.12773	4.4
195.13858	10.7
197.13338	2.4
229.49390	2.9
261.15030	2.7
267.15790	3.4
269.17508	6.5
281.13956	2.2
321.16980	4.0
339.17981	13.4
351.67075	2.0
371.26089	1.9
371.39014	2.0
377.19650	1.8
395.20544	10.3
445.29626	6.3
463.30695	9.0
479.30103	2.3
589.33673	4.2
607.34729	100.0
608.35156	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	607.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.9
53.03949	8.6
55.01874	4.8
55.05515	24.3
57.03442	6.0
57.07070	3.6
65.03941	4.9
67.05509	57.7
69.03437	6.9
69.07069	21.5
71.04993	4.3
79.05498	43.8
81.03426	30.7
81.07064	69.0
83.04979	7.7
83.08624	12.5
85.02915	4.0
85.06547	4.1
91.05490	41.3
92.14491	1.1
93.07050	45.0
95.04987	10.1
95.08614	33.5
97.02886	5.1
97.06529	8.6
97.10186	4.4
98.20789	2.3
99.04478	2.0
99.08092	3.9
103.05481	1.7
105.04514	2.0
105.07036	29.8
107.04981	3.0
107.08599	25.0
109.02890	5.5
109.06516	4.1
109.10164	11.1
111.04444	2.9
111.08109	3.3
115.05486	2.6
116.06242	1.0
117.07030	16.3
119.07808	0.9
119.08588	22.3
121.06541	2.6
121.10145	13.7
123.04431	1.1
123.08055	2.2
123.11724	5.5
127.03933	3.7
128.06230	4.0
129.05573	1.2
129.07021	12.2
131.08586	20.7
133.06506	1.3
133.10138	18.3
135.08063	2.9
135.11702	8.5
139.11183	1.6
139.86768	1.0
141.07060	6.3
142.07828	4.0
143.08569	13.1
144.09335	1.5
145.06511	2.1
145.10120	17.3
145.52242	1.1
147.08083	1.9
147.11682	13.0
149.06044	1.3
149.09625	2.0
149.13249	14.5
153.06975	2.1
154.07750	1.8
155.08571	13.2
156.09337	3.0
157.10147	14.2
159.08034	2.3
159.11685	15.3
161.09702	1.8
161.13281	4.4
163.11189	2.4
165.06992	3.7
165.12805	3.2
166.07811	2.0
166.75510	1.1
167.08565	8.3
168.09360	2.5
169.10136	15.5
171.11687	9.7
171.87712	1.1
173.09612	1.1
173.13326	6.4
175.11197	1.8
177.12784	4.4
179.08591	4.1
179.14333	1.2
180.09300	2.4
181.10132	12.6
182.10896	2.2
183.06628	1.4
183.11707	12.5
185.13271	6.4
187.14842	2.8
191.08496	1.8
193.10129	7.5
193.11763	1.4
194.10893	1.7
195.11739	12.9
195.13828	8.5
196.12390	1.7
197.13269	11.5
199.14868	3.6
201.12851	1.2
201.16356	1.9
205.10191	2.6
206.10928	2.2
207.11725	8.5
208.12498	1.4
209.13335	10.0
211.14786	7.1
213.16466	2.9
219.11662	2.7
219.13702	1.3
219.17484	2.3
221.13290	6.8
221.15187	1.3
223.14810	8.1
225.12682	1.3
225.16403	4.2
227.17937	1.3
231.11726	1.3
233.13231	2.5
235.14825	5.5
237.16443	4.9
239.18016	2.6
241.19669	2.4
247.14877	1.9
249.16408	3.8
251.18079	2.9
257.18951	1.4
259.20654	2.1
261.16592	1.5
263.17969	2.9
265.19537	1.8
267.15976	2.5
267.21213	1.4
269.17435	6.0
275.17514	1.3
275.20212	4.7
277.19412	1.7
295.20511	1.2
303.15775	1.3
307.20630	1.2
321.17050	2.3
323.23550	1.1
335.23532	1.6
339.18030	6.4
339.23325	1.4
347.23709	2.1
349.25183	3.0
353.24869	1.8
363.26959	1.6
377.19830	1.8
379.26175	1.3
393.27933	1.2
395.20654	5.2
417.27475	1.2
445.30124	3.6
463.30573	5.2
478.17343	1.2
497.37582	2.0
509.35519	1.4
515.38940	11.5
529.32104	1.4
533.40125	6.7
537.35760	1.6
538.36353	1.9
551.40790	4.0
589.33423	3.4
589.42395	8.7
607.34552	36.3
607.43469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	55.3
57.03436	8.3
57.07072	7.9
67.05511	35.4
69.03435	10.6
69.07078	63.6
69.88991	23.1
70.06585	8.4
71.04990	7.4
71.32778	4.3
73.02927	5.6
78.82717	4.5
79.05492	22.0
81.03407	5.1
81.07059	94.6
83.04984	6.1
83.08608	12.3
85.02919	9.6
85.06554	9.2
91.05497	10.3
93.07044	43.9
95.01330	7.9
95.04980	24.1
95.08611	68.2
97.02921	5.9
97.06535	11.7
97.10172	100.0
98.21481	5.5
99.08104	5.9
105.07067	28.0
107.08590	42.7
109.06487	8.1
109.10165	35.7
111.08078	6.8
111.11737	12.2
113.02341	5.2
119.08585	20.5
121.10130	37.2
123.11723	47.7
125.05973	4.9
125.09612	27.1
131.08534	5.7
133.10133	17.4
135.11694	23.5
137.09665	9.3
137.13210	5.1
139.03903	6.5
139.11183	27.4
143.10687	18.5
145.10136	16.9
146.36189	5.0
147.11723	23.8
149.09602	11.2
149.13232	12.2
151.07562	11.1
153.01857	10.1
153.12819	7.8
157.12216	11.8
159.11681	24.6
161.13275	11.8
163.11211	7.4
165.12793	12.7
171.11624	5.8
173.13194	5.6
175.14812	8.1
177.12793	6.6
181.04840	6.0
187.14896	7.5
203.12788	5.7
219.87314	4.6
241.14398	13.4
243.12053	6.1
245.13832	34.7
248.20195	4.9
250.24263	5.0
273.22241	5.6
285.22171	13.4
303.23218	22.7
321.24167	14.9
325.20248	6.8
351.24719	5.5
363.47073	6.3
365.26816	7.5
367.73795	5.4
377.26804	22.3
383.28000	18.5
395.27887	87.1
413.29068	40.0
422.03818	5.3
493.00238	5.1
571.30920	14.7
572.31158	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	607.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07611	2.4
53.03951	6.1
55.01879	3.7
55.05520	41.0
57.03440	8.2
57.07101	5.8
58.25473	2.4
67.05512	33.8
69.03423	11.5
69.06733	3.7
69.07076	55.1
71.01357	5.6
71.05000	6.2
71.51463	3.1
73.02934	6.0
75.37802	2.4
77.86568	2.3
79.05508	17.7
81.03438	6.9
81.07065	100.0
83.04118	2.2
83.04986	7.5
83.08627	7.5
84.56088	2.5
85.02906	12.6
85.06546	8.9
91.05495	13.7
93.07049	39.1
95.01335	5.0
95.04964	13.3
95.08620	64.0
97.02914	8.1
97.06554	12.7
97.10179	39.9
99.04480	3.3
99.08099	5.5
101.02390	4.2
102.88838	2.4
105.07053	26.9
107.08598	36.0
109.02858	6.3
109.06523	9.5
109.10167	31.3
111.08105	11.2
111.11738	17.3
113.02391	5.7
117.06958	3.2
119.08602	25.0
121.02876	2.5
121.04079	2.9
121.06504	5.9
121.10149	33.0
123.04427	3.2
123.08073	4.8
123.11716	70.7
125.09634	4.4
127.03881	3.9
131.08592	8.6
133.10129	14.3
135.08052	3.5
135.11696	21.7
137.09599	7.3
137.13246	8.5
139.03915	11.4
139.11182	34.5
141.01848	7.6
143.03416	4.5
143.10573	2.9
145.10149	13.2
147.11711	22.1
149.02348	19.2
149.13260	6.4
151.07538	7.7
151.11214	7.5
153.01839	67.6
153.02943	5.0
153.12753	9.2
157.12259	10.5
159.11736	11.8
161.13251	7.2
163.11194	8.9
163.14799	3.2
165.12769	9.1
173.13261	6.3
175.07561	7.4
175.14981	3.5
177.12756	3.4
185.13232	3.0
187.13408	2.9
187.14908	6.8
191.03442	4.3
191.10750	3.2
192.03723	3.1
203.07053	14.8
203.12729	3.7
203.18088	3.5
233.15407	3.5
241.14391	17.5
243.16000	11.1
245.13751	2.9
257.22693	3.1
259.15472	8.1
266.04761	3.1
273.22156	4.3
275.23694	8.7
285.22156	9.2
291.23059	3.8
293.24878	5.0
297.05966	5.8
303.23215	29.3
321.24271	18.1
325.20038	8.9
339.25433	4.2
365.26935	10.6
377.26947	15.9
383.27835	12.7
395.28012	69.4
413.28995	51.2
571.30927	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22033	1.7
52.91339	1.7
53.03942	4.6
55.01874	4.9
55.05507	7.8
57.07078	1.8
65.03941	1.9
67.05511	11.2
69.03429	34.5
69.07076	12.9
70.06577	4.0
71.04971	1.8
71.50446	1.8
79.05500	9.0
81.03423	13.8
81.07059	19.9
83.04970	7.9
84.08108	1.9
85.02899	5.1
91.05476	9.4
93.07041	12.2
95.04971	11.2
95.08614	14.4
97.02892	13.2
97.06563	8.5
99.04446	4.5
105.07031	23.0
107.04947	6.5
107.08589	10.5
109.02884	22.9
109.06522	13.5
109.10152	7.0
110.07269	1.8
111.08095	6.2
119.04932	4.0
119.08596	15.7
121.02850	3.8
121.06495	5.4
121.10157	28.3
123.04468	12.0
123.08063	15.1
123.11692	3.6
127.03928	17.1
128.97516	1.8
131.08556	2.9
133.06491	5.7
133.10149	19.7
135.08058	4.0
135.11681	5.1
137.05983	7.9
137.09602	14.1
138.10403	6.0
139.03914	10.3
139.11206	28.7
143.08580	2.7
145.04967	2.9
145.10129	5.7
147.04430	4.2
147.08041	2.6
147.11690	20.6
149.02365	3.2
149.09589	3.6
151.03911	2.6
151.07549	14.4
151.11253	4.0
153.01839	8.7
154.79089	2.2
159.11737	3.8
161.13249	8.9
163.11229	4.8
165.12691	2.5
171.11702	3.4
175.11198	5.3
189.12801	18.2
189.85680	1.9
190.72144	1.9
191.10603	3.8
193.12291	6.7
203.10667	6.1
207.13811	100.0
221.11804	5.3
225.14891	23.4
227.05573	2.0
239.12785	14.5
241.63275	2.0
299.09036	3.4
305.24911	2.8
347.14899	6.2
365.16016	25.2
410.13205	2.3
515.59100	1.7
607.20551	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	607.2914
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
61.31721	0.6
65.71361	0.6
71.01463	1.2
84.79039	0.5
87.82269	0.5
132.11125	0.6
161.49036	0.5
189.85982	0.5
263.54709	0.5
376.75455	0.6
389.17798	1.2
401.17667	0.8
402.18314	1.5
403.19388	4.4
404.20013	1.4
405.20892	2.0
415.19159	0.6
416.20306	1.2
417.21255	4.6
418.22037	2.7
419.22568	3.2
430.17374	1.1
431.17987	6.9
432.19153	1.3
433.24078	10.5
434.24600	0.8
445.19971	9.7
446.20602	3.1
447.21646	5.3
458.21194	1.0
459.21237	3.6
460.22595	15.8
461.23364	14.5
473.23511	3.7
474.23981	1.3
477.23465	0.8
487.24991	2.1
492.25360	0.9
505.22586	1.9
515.24689	1.5
519.27728	1.9
547.27106	54.1
548.27338	2.1
575.25891	1.3
579.29480	1.2
607.29169	100.0
608.29633	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.291
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
65.64959	0.5
69.50725	2.5
69.51128	0.9
74.30564	0.5
98.20725	0.5
103.19260	0.5
389.17712	1.4
390.18616	0.6
401.18149	0.6
402.18451	0.9
403.19305	3.1
404.19980	1.0
405.20947	1.9
416.20193	1.4
417.16476	1.1
417.21622	2.7
418.21597	2.4
419.17667	0.6
419.22263	3.5
429.21100	0.9
430.22232	0.8
431.18213	9.5
431.23569	0.9
432.19275	1.7
433.24057	9.7
434.24789	1.7
444.18829	0.9
445.19830	11.5
446.20920	5.1
447.21841	5.7
459.21414	6.1
460.22537	14.8
461.23380	16.4
473.23697	4.0
474.24301	1.5
487.25024	2.0
491.20410	0.7
491.25610	0.7
492.25513	1.1
504.25198	0.7
505.21646	4.4
515.24554	0.9
519.24237	1.9
519.27063	1.8
532.24939	0.7
533.25537	1.0
547.27075	36.5
548.27588	0.8
575.26453	0.9
579.29724	0.8
607.29169	100.0
608.29688	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97278	0.4
53.03962	0.7
55.01862	0.5
55.05515	1.9
63.78417	0.4
63.87981	0.4
67.05500	4.2
67.99454	0.4
69.03407	0.6
69.07068	1.6
69.77236	2.1
69.94022	0.4
71.05012	0.5
79.05486	2.9
81.03423	2.3
81.07053	5.1
81.07473	0.5
83.04984	0.7
83.08619	0.9
86.93632	0.4
91.05499	2.7
93.07053	3.1
95.04984	0.8
95.08623	1.9
97.02895	0.7
98.21249	1.2
103.05449	0.4
105.07046	1.7
107.08591	2.3
109.02935	0.5
109.10191	0.8
117.07050	1.4
119.08622	1.6
119.24337	0.4
121.06503	0.5
121.10149	1.6
125.50495	0.4
129.07053	1.2
131.08615	1.8
133.06497	0.5
133.10162	1.2
141.07031	0.5
143.08592	0.7
144.34219	0.5
145.10149	0.9
147.11743	1.1
148.24435	0.4
149.13298	0.5
150.27658	0.5
155.08620	0.7
157.10149	0.5
168.14037	0.4
169.10182	0.5
171.11678	0.4
183.11652	0.5
186.84807	0.5
189.82249	0.4
197.13423	0.8
197.28259	0.4
221.10788	0.5
250.86354	0.6
272.44696	0.5
348.65863	0.4
374.15320	0.6
375.16229	1.0
387.16299	0.6
388.16891	1.4
389.17691	3.7
390.18594	1.6
391.19305	1.3
401.18103	0.7
402.14099	0.6
402.18771	0.9
403.14761	0.8
403.19620	4.5
404.20087	1.8
405.21033	3.1
416.16412	1.5
417.16266	3.9
417.21167	1.7
418.17380	0.9
418.22137	0.9
419.22510	6.9
420.23062	0.8
431.18326	8.4
431.24228	0.6
432.19131	4.1
433.20157	4.8
434.20886	0.6
445.20178	6.3
446.21045	7.7
447.21716	8.7
448.22061	0.7
459.17383	0.9
459.22308	1.4
460.18484	0.9
461.19781	1.7
463.20764	0.8
463.30710	0.7
473.24173	0.8
474.20514	5.3
475.21063	4.7
477.23465	0.8
478.23938	1.1
486.20123	0.5
487.21310	1.9
490.23785	0.7
491.19916	2.8
501.23126	0.8
504.21518	0.7
505.22253	0.8
515.38208	0.5
517.86548	0.5
519.24152	16.6
520.24036	0.8
547.23425	13.3
557.33026	0.4
579.25989	5.7
607.25549	100.0
607.33618	3.7
607.42969	2.7
608.25983	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	607.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.01875	4.3
55.05270	0.7
55.05511	9.2
57.03433	1.6
57.07080	3.1
65.03931	1.2
67.05508	22.1
68.05849	0.7
69.03414	0.9
69.07072	14.1
69.92693	2.4
71.04993	0.8
71.08621	1.6
77.03934	1.0
79.05493	21.6
81.03429	3.3
81.07060	23.1
83.04984	2.3
83.08620	4.3
85.06537	1.7
85.10194	1.1
91.05482	26.3
93.07043	18.5
94.70328	0.5
95.01324	3.7
95.04967	3.7
95.08610	16.6
97.06522	5.6
97.10178	2.4
103.05518	1.1
105.04529	1.2
105.07033	34.5
107.04955	6.8
107.08595	8.7
109.06527	2.9
109.10159	5.2
111.08099	0.9
113.09674	0.8
115.05472	1.8
117.07021	9.9
119.08588	18.7
121.06503	1.6
121.10143	4.5
123.04449	0.6
123.08085	1.7
123.11718	0.9
125.09615	1.4
128.06244	1.8
129.07001	6.0
130.07811	1.0
131.08571	11.5
133.06522	0.8
133.10144	17.0
134.22107	0.7
135.08078	1.9
135.11690	4.6
137.09645	1.1
141.06981	2.2
142.07764	1.2
143.08589	4.6
144.09305	0.6
145.10117	11.2
147.11676	9.3
147.12633	0.8
149.09612	2.0
149.13313	2.4
151.11229	0.8
155.08585	2.6
157.10135	3.8
159.11681	7.8
161.09645	0.9
161.13304	3.9
163.11177	1.5
167.08589	1.2
168.09384	0.9
169.10158	3.5
171.11662	4.6
173.13268	4.1
175.14853	1.1
177.12747	1.6
179.08571	1.3
179.14359	4.1
181.10176	1.8
183.11723	2.4
185.13202	3.4
187.11234	1.1
187.14912	0.9
193.10110	0.6
195.11739	1.9
197.13332	2.5
199.14793	1.9
201.16344	1.0
205.10225	0.9
207.11720	0.8
209.10730	0.7
209.13301	1.5
211.14905	1.1
213.16454	1.4
215.18050	1.0
219.11601	0.9
219.17381	3.4
221.13164	0.7
223.14908	0.8
229.19623	0.8
235.14891	0.8
237.16455	1.1
239.18028	0.6
241.19456	3.9
249.16600	0.7
257.19003	2.6
259.20544	4.3
275.20078	22.4
276.20615	1.6
277.21289	0.7
293.21097	1.4
313.27426	0.8
314.27869	1.1
315.23102	5.8
346.13464	0.6
349.23752	3.0
375.16135	0.8
387.16385	1.1
388.17041	1.4
389.17618	4.8
390.18457	1.3
401.18237	1.0
402.14465	1.2
403.14990	0.8
403.19330	6.9
404.20203	3.0
405.20746	3.8
415.19254	0.8
416.16428	2.2
417.17010	4.0
417.21017	3.3
418.17410	1.1
418.22125	1.3
419.22455	8.6
420.23062	1.3
430.17932	1.8
431.18344	8.8
432.19217	4.1
433.20224	2.8
445.20117	6.2
446.21048	7.8
447.21603	11.1
447.26663	0.7
448.22723	0.9
452.26257	0.6
459.17902	1.9
459.22296	2.1
460.18573	1.0
461.19800	2.4
462.23819	0.7
463.25150	1.1
473.19223	0.9
473.24207	0.7
474.20535	11.8
475.21240	15.0
476.21524	0.8
483.34808	0.9
487.21115	3.1
488.21823	1.1
490.23947	2.8
491.20557	0.9
491.25153	0.9
501.22925	2.4
505.22375	1.3
515.38660	1.4
519.24146	13.4
538.83997	0.7
547.23401	74.8
548.23792	2.1
551.26825	0.8
551.41107	1.0
561.25195	1.2
579.25983	5.0
589.24274	1.3
589.42340	1.3
606.48077	0.9
607.25555	100.0
607.43036	27.1
608.25635	3.1
609.12744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2553
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
67.05495	0.9
69.07059	0.2
69.35731	1.8
81.07048	0.5
89.51782	0.2
91.05471	0.3
93.07045	0.5
93.92251	0.2
95.04958	0.8
95.08608	0.3
98.21120	0.9
103.18894	0.2
105.07024	0.3
129.90710	0.2
131.08621	0.3
167.64575	0.2
209.10909	0.3
221.10773	0.2
223.12312	0.3
259.12320	0.3
279.15048	0.2
296.11728	0.2
309.12589	0.3
314.12784	0.3
323.14285	0.2
324.15054	0.3
326.13226	0.2
329.12875	0.2
373.14551	0.5
374.15494	0.6
375.16241	0.6
386.15817	0.3
387.16428	0.6
388.17044	1.2
389.17548	2.5
390.18448	0.9
391.19250	1.1
401.17926	0.7
402.14014	0.4
402.18506	1.0
403.15558	0.5
403.19531	4.2
404.20105	1.7
405.20822	3.9
405.25632	0.3
407.22021	0.2
415.15198	0.5
415.19937	0.3
416.15631	1.3
416.21024	0.3
417.16245	4.2
417.21185	2.3
418.17709	1.0
418.21655	1.3
419.17795	0.4
419.22519	5.7
420.23245	1.1
430.17969	0.9
431.18356	7.5
432.19156	2.4
433.20236	3.1
433.25360	0.2
434.21033	0.5
443.19064	0.3
444.19632	0.4
445.20157	4.6
446.21014	7.4
447.21780	8.9
448.22403	0.7
449.19757	0.4
459.17285	0.6
459.21985	1.3
460.18964	0.8
461.19424	2.1
462.24646	0.3
463.24988	0.9
473.19199	0.6
473.24216	0.7
474.20438	4.7
475.21078	4.4
477.22989	0.7
478.23694	0.7
487.21646	1.5
490.23639	0.6
491.20026	3.1
501.23254	1.1
503.24783	0.5
505.22388	0.7
519.24146	16.0
520.24457	0.4
547.23438	11.5
548.23962	0.4
561.25458	0.4
579.26038	5.9
589.24213	0.4
607.25549	100.0
608.26019	3.0
620.15717	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36597	1.6
53.03946	2.4
53.67612	1.5
55.01868	2.1
55.05514	4.7
57.03442	39.7
61.02918	7.5
65.03954	1.9
67.05499	6.2
69.03430	9.8
69.07064	3.9
70.06594	2.4
71.01357	16.7
71.05021	2.8
71.50491	1.6
71.50896	2.0
72.08148	3.3
73.02924	16.1
75.04480	3.7
79.05499	9.5
81.02311	1.6
81.03421	3.2
81.07077	12.4
83.01366	1.8
83.04983	14.3
85.02910	41.2
85.06571	2.0
91.05511	7.4
93.07053	17.0
95.01331	4.8
95.04961	5.0
95.08598	5.7
97.02897	23.8
97.06545	3.8
99.00836	5.3
99.04456	14.1
100.91219	1.5
101.02374	4.3
103.03941	5.7
105.07037	21.8
107.08583	15.7
109.06516	4.3
111.04464	1.8
111.08096	5.4
113.02370	24.5
113.05998	1.9
117.05502	100.0
119.08582	10.0
121.06515	4.8
121.10136	2.5
123.00742	2.1
123.04458	3.4
123.08074	1.5
123.11694	2.2
130.89253	1.5
131.03429	6.9
131.08582	2.7
133.10162	8.1
135.08080	7.1
136.07487	1.7
137.05995	1.8
139.03886	2.1
141.01826	19.0
141.05461	1.9
142.07784	2.0
145.04970	7.0
145.10156	2.3
147.11699	29.2
151.07425	2.0
153.01830	5.0
157.10176	4.3
159.02968	7.0
159.06543	39.4
165.12773	11.3
169.05019	4.1
171.06442	1.6
171.11671	2.0
175.11201	12.4
187.06015	5.4
189.12709	4.3
193.12273	25.9
197.04501	3.4
201.07579	6.9
207.13863	2.7
211.13245	8.2
215.05505	11.1
217.12312	6.4
229.07166	2.1
233.06633	2.7
235.13287	7.7
247.08055	3.7
253.14371	3.5
257.06564	6.6
265.13315	10.3
275.07639	6.2
293.08691	63.1
309.12338	7.6
309.17023	1.4
310.13248	1.9
311.13919	4.1
405.51367	1.6
450.20242	6.8
452.22354	2.4
589.20972	1.8
607.26935	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.6
55.01874	19.6
55.05513	42.1
57.03446	11.6
57.06797	3.0
57.07079	67.6
65.03945	5.8
67.05508	72.4
69.07069	41.5
69.96780	11.1
71.04989	4.5
71.08635	42.9
79.05497	47.7
79.05916	4.0
81.03413	7.9
81.07059	83.6
83.04978	15.9
83.08620	36.7
85.02895	4.5
85.06539	2.7
85.10190	26.9
89.06014	2.6
90.46085	2.4
91.05482	37.6
93.07053	51.5
94.74944	2.9
95.04983	45.9
95.08611	62.9
95.09182	4.6
97.06528	23.6
97.10171	14.6
99.04461	6.5
99.08087	4.2
103.05470	2.7
105.04536	2.6
105.07041	43.1
107.04984	12.6
107.08601	40.1
109.06538	7.5
109.10158	30.3
111.04480	12.6
111.08096	7.2
111.11716	3.9
115.05449	3.4
117.07010	14.1
119.08596	33.3
121.06521	7.2
121.10134	23.3
123.08074	7.6
123.11712	10.3
125.09653	9.8
129.07016	4.0
131.08580	18.5
133.10130	28.3
135.08113	7.6
135.11694	11.7
137.09634	5.0
137.13335	3.5
139.11211	3.0
143.08569	3.0
145.10129	21.8
147.08080	3.2
147.11700	14.6
149.09616	27.8
149.13289	5.8
151.11218	2.8
153.12834	4.4
157.10149	3.9
159.11650	12.6
161.09636	2.3
161.13281	4.2
163.11198	28.2
165.12807	4.1
167.10808	2.8
169.10114	2.7
171.11826	2.6
173.09570	3.4
173.11905	3.2
173.13281	4.9
175.14801	2.5
177.12804	4.0
179.12715	2.1
179.14342	5.8
181.12132	2.9
187.11218	4.0
189.11253	10.5
197.13292	3.2
200.27162	2.5
205.12267	9.9
223.13295	52.0
227.12886	4.8
229.19687	2.7
239.18024	5.8
239.23807	8.6
247.20718	6.1
257.19138	9.9
275.20081	99.2
293.21146	37.5
293.24261	2.7
313.27365	31.1
349.23691	21.5
387.92218	2.5
453.72845	2.4
493.38919	20.1
507.40451	16.6
587.46692	32.9
605.47815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02306	1.8
53.03954	6.0
55.01881	10.8
55.05515	33.8
57.03431	20.2
57.06791	3.9
57.07076	62.2
62.28293	2.4
64.74475	2.3
65.03949	5.3
67.05506	81.3
69.07071	32.8
70.26255	1.8
70.57478	5.0
70.57829	3.8
71.04990	8.3
71.08636	52.0
79.05495	60.1
79.47997	2.1
81.03422	6.2
81.07059	89.1
83.04990	7.6
83.08630	31.4
85.06551	6.5
85.10186	23.5
91.05487	63.2
91.05942	1.3
93.06484	3.6
93.07046	57.7
95.04966	11.3
95.08614	69.0
97.06526	15.0
97.10182	17.6
99.08158	3.0
102.54162	2.2
103.05482	3.3
105.07034	64.1
107.04958	8.4
107.08607	40.0
109.06515	8.7
109.10161	31.5
111.08086	6.0
113.00057	4.3
117.07021	21.4
119.08581	39.9
121.06542	5.4
121.10133	22.1
123.08094	5.2
123.10961	2.2
123.11694	11.3
125.09642	6.8
127.34384	2.0
129.06989	12.6
131.08572	31.8
133.10117	27.1
135.08069	4.7
135.11688	18.0
137.09601	3.8
137.13303	2.5
141.07051	2.1
142.07765	2.6
143.08546	12.1
145.10130	28.3
147.11673	25.7
149.09628	17.7
149.13344	6.1
151.11220	3.1
157.10159	9.5
159.11699	28.0
161.13246	7.2
163.11177	11.8
165.12729	2.7
169.10114	4.2
171.11673	4.2
173.13264	14.1
175.11162	4.0
175.14822	3.5
177.12631	3.5
183.11725	8.1
185.13263	23.6
187.14836	4.9
189.11151	3.2
189.24902	2.3
191.14290	3.1
195.13820	3.5
197.13240	3.8
201.16393	5.2
203.14363	14.3
205.15886	9.7
215.17818	2.7
219.13977	2.6
219.17459	32.7
223.13220	4.1
227.12810	7.2
229.19579	3.2
237.75354	2.1
239.17990	9.5
239.23619	10.4
247.20576	3.6
257.19052	28.6
275.20074	100.0
276.20511	2.4
293.21136	10.3
313.27356	98.8
331.22656	7.9
349.23724	43.2
369.29800	4.3
369.62894	2.5
493.39020	36.3
507.40460	30.2
587.46808	50.2
605.48022	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	605.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	1.6
53.03948	5.0
54.57347	1.4
55.01877	17.6
55.05518	43.9
57.03446	8.7
57.07083	65.4
59.04996	1.9
65.03947	4.3
67.05512	64.4
69.03440	1.9
69.07074	37.4
71.04996	5.4
71.08640	42.2
74.66501	1.4
79.05503	52.5
81.03437	6.2
81.07066	72.7
83.04988	16.9
83.08633	36.5
84.20198	1.5
85.02920	3.9
85.06555	4.5
85.10188	21.7
91.05487	35.9
91.06022	2.8
93.07054	42.2
95.04977	44.9
95.05569	2.8
95.08615	63.3
97.02936	1.5
97.06536	17.3
97.10188	18.4
99.04470	5.8
99.11756	1.6
103.05469	1.9
105.07040	39.4
106.32365	1.6
107.04957	16.9
107.08603	42.3
107.09305	2.6
109.06532	7.8
109.10170	29.4
111.04466	14.4
111.08101	6.1
117.07038	13.2
119.08592	25.6
121.06518	7.2
121.10159	20.7
123.08105	7.9
123.11715	11.0
125.09652	10.9
129.07027	5.3
131.08588	18.4
133.10153	20.2
135.08105	6.6
135.11700	11.3
137.09621	5.8
137.13289	1.8
139.11186	2.1
141.16217	1.5
143.08598	4.8
145.06563	1.7
145.10136	23.5
147.08095	4.2
147.11693	15.5
149.09644	33.1
149.10748	2.1
149.13313	3.5
151.11197	3.8
153.09157	2.5
155.08632	1.9
156.41365	1.3
157.10194	5.1
159.11720	12.8
161.09669	2.6
161.13329	5.0
163.11200	30.2
165.12833	3.6
169.10213	2.4
171.10326	2.0
171.11713	3.4
173.09735	1.8
173.13342	5.4
175.11220	2.9
177.12785	5.5
183.11815	2.8
187.11230	4.3
187.15044	1.4
189.11281	12.6
191.10635	1.7
191.14377	2.3
193.12257	1.6
197.13358	1.6
199.14716	2.1
205.12317	5.5
207.13768	1.7
211.13261	2.3
215.17909	1.5
221.22662	1.6
223.13304	52.4
227.12810	8.6
229.19609	5.2
229.60663	1.7
239.18034	5.7
239.23688	8.5
247.20633	3.8
257.19046	14.4
275.20090	100.0
276.20526	1.7
293.21136	37.4
313.27390	46.5
331.22742	1.7
349.23743	32.0
349.27597	2.5
367.24887	2.8
395.29376	1.4
398.08801	1.5
409.33224	2.5
587.46600	25.4
605.47852	98.3
606.48413	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.01869	16.3
55.05514	36.9
57.03437	7.5
57.07079	53.7
65.03934	3.6
67.05509	73.8
69.03418	2.6
69.07076	32.0
71.04978	3.7
71.08638	32.2
71.52245	2.1
73.06538	1.6
77.03927	1.9
79.05499	50.6
79.05966	2.4
81.03413	3.4
81.07063	99.0
82.07389	1.5
83.04975	5.4
83.08620	27.1
85.06532	4.6
85.10182	16.8
91.04904	2.0
91.05482	44.0
93.07050	39.7
95.04981	8.5
95.08612	68.9
97.06536	20.7
97.10178	16.1
99.08101	1.7
99.11757	2.3
105.07040	41.0
107.04963	18.3
107.08602	26.6
109.06518	12.9
109.10172	32.7
111.08062	5.1
111.11708	1.9
116.06232	1.8
117.07022	15.4
119.08582	34.8
121.06506	5.2
121.10151	15.3
123.08076	4.0
123.11710	16.6
125.09617	8.9
129.07001	6.8
131.08572	20.0
133.10132	29.3
135.08092	7.5
135.11682	8.7
137.09616	4.7
137.13272	2.0
139.11212	2.7
141.06960	1.8
143.08562	4.6
145.10132	23.6
145.59927	1.7
147.11700	19.6
149.09634	28.8
149.13271	5.6
151.11244	2.2
155.08588	3.4
157.10107	7.0
159.11697	12.0
161.09671	3.2
161.13226	5.9
163.11177	15.3
163.14877	2.0
165.12741	7.2
169.10159	5.7
171.11725	5.8
173.13248	7.3
175.11235	3.3
177.12703	3.4
179.08661	1.7
179.14288	2.0
183.11690	6.1
185.13272	1.7
187.14717	2.1
189.11232	2.2
189.12793	1.9
193.12109	2.6
197.13341	3.1
199.14903	2.0
207.11865	2.6
211.14900	2.5
215.17822	2.1
219.11761	1.7
219.13853	2.3
227.12741	11.3
229.19572	2.5
239.17978	6.5
239.23685	6.5
241.14394	2.4
247.20592	5.0
257.19006	17.2
275.20071	100.0
279.16031	2.0
293.21237	11.6
313.27383	59.5
331.22812	2.6
349.23734	43.4
349.63351	1.9
394.50439	1.7
513.37384	2.0
531.38239	3.1
587.38245	2.9
587.46851	40.2
605.48993	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
54.72875	0.3
63.62736	0.3
70.06614	0.3
71.50895	0.6
76.58372	0.3
86.09711	0.5
91.05482	2.6
93.07039	4.1
95.04982	0.6
95.56310	0.3
97.02901	0.4
103.05487	2.1
105.04560	0.4
107.04961	0.9
107.83791	0.3
110.74356	0.3
121.06512	100.0
122.06033	1.7
122.06857	0.8
125.02370	0.5
140.07088	0.3
143.03415	0.7
153.01836	15.9
153.02795	0.7
154.02118	0.6
163.03886	0.3
165.05521	2.0
190.33206	0.2
191.44350	0.3
192.89552	0.3
221.05992	0.5
223.07623	0.3
228.10316	0.4
247.07646	0.4
265.08826	0.3
269.63745	0.3
273.07556	8.6
289.08505	0.6
290.10239	24.0
291.10428	0.4
305.08115	1.7
308.11353	1.2
319.09808	0.7
324.10739	0.5
368.11374	0.6
382.12952	0.8
418.15057	0.7
432.14835	0.3
532.20825	0.4
538.21997	0.8
586.15247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
55.05519	2.1
57.03421	0.4
57.07080	3.1
62.10379	0.4
67.05506	4.6
68.28242	0.3
69.07060	1.8
69.31419	2.2
69.31825	0.8
71.08629	2.0
72.87717	0.3
74.68583	0.4
79.05489	2.4
81.07064	5.1
83.05005	0.4
83.08611	1.4
85.10181	1.2
91.05492	2.7
93.07048	2.5
95.04977	0.9
95.08613	3.3
96.08896	0.4
97.06513	0.4
97.10152	0.8
105.07040	2.0
107.04946	0.7
107.08603	1.5
109.06564	0.5
109.10170	1.9
117.07041	0.9
119.08572	1.7
121.06541	0.8
121.10142	1.1
123.08097	0.3
123.11769	0.5
130.39088	0.3
131.08566	1.2
133.10141	1.3
134.87883	0.3
135.08093	0.6
135.11691	0.8
142.07594	0.4
143.08479	0.4
145.10152	1.2
146.96222	0.3
147.11707	0.8
149.09688	0.7
159.11702	1.0
163.11250	1.0
205.24857	0.3
227.12822	0.4
239.23990	0.5
244.99899	0.4
257.19055	0.6
273.18674	0.4
275.20111	3.9
293.21176	1.0
300.14954	0.4
313.27362	2.4
349.23813	1.5
386.16046	0.4
399.16357	0.4
400.17270	0.5
401.17749	0.7
402.18845	0.5
413.17719	0.8
414.18597	1.1
415.19202	4.7
416.19800	1.8
417.20898	0.7
427.19656	0.7
428.20148	1.5
429.20959	7.1
430.21790	3.8
431.22305	1.1
442.21649	0.6
443.22726	3.9
444.23535	5.8
445.24194	4.5
448.26147	0.8
455.18921	0.4
457.19409	0.7
457.24240	1.4
458.25415	2.8
459.21622	2.6
459.26004	2.0
460.22610	0.4
470.21252	0.4
471.21909	1.2
472.22662	3.7
473.23453	5.7
474.24496	2.3
476.22427	0.4
485.23514	2.9
486.24301	1.6
487.25024	19.5
488.25784	1.8
489.22629	0.7
503.24850	2.0
504.24930	0.6
517.26648	3.0
518.23230	0.6
531.24017	0.9
545.25519	15.5
546.26184	3.6
573.25049	1.2
577.27039	0.6
587.46497	0.8
605.27606	100.0
606.27893	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
54.72875	0.3
63.62736	0.3
70.06614	0.3
71.50895	0.6
76.58372	0.3
86.09711	0.5
91.05482	2.6
93.07039	4.1
95.04982	0.6
95.56310	0.3
97.02901	0.4
103.05487	2.1
105.04560	0.4
107.04961	0.9
107.83791	0.3
110.74356	0.3
121.06512	100.0
122.06033	1.7
122.06857	0.8
125.02370	0.5
140.07088	0.3
143.03415	0.7
153.01836	15.9
153.02795	0.7
154.02118	0.6
163.03886	0.3
165.05521	2.0
190.33206	0.2
191.44350	0.3
192.89552	0.3
221.05992	0.5
223.07623	0.3
228.10316	0.4
247.07646	0.4
265.08826	0.3
269.63745	0.3
273.07556	8.6
289.08505	0.6
290.10239	24.0
291.10428	0.4
305.08115	1.7
308.11353	1.2
319.09808	0.7
324.10739	0.5
368.11374	0.6
382.12952	0.8
418.15057	0.7
432.14835	0.3
532.20825	0.4
538.21997	0.8
586.15247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.7
55.01875	5.4
55.05515	35.8
57.03434	16.2
57.07080	63.7
65.00074	2.4
65.03953	4.3
66.99772	2.3
67.05507	70.4
67.51061	2.5
69.03448	4.7
69.07070	32.3
69.38142	2.4
69.38477	20.9
71.04996	3.5
71.08639	46.3
72.04519	6.7
79.05497	50.0
81.07061	73.2
81.69387	2.4
83.04987	5.1
83.08615	31.1
85.06548	7.3
85.10195	22.2
91.05483	66.0
93.07051	50.4
95.04985	12.1
95.08614	59.8
97.02868	3.0
97.06528	6.2
97.10169	17.2
103.05473	3.6
103.11808	2.7
105.07039	65.5
107.04934	3.0
107.08601	32.6
109.06551	16.1
109.10168	29.8
111.11718	3.5
113.06027	9.7
117.07011	21.0
119.08590	57.9
119.09376	5.4
121.06566	2.9
121.10148	25.9
123.08070	3.8
123.11721	8.8
126.88617	2.9
128.06226	4.0
129.07024	11.3
131.08597	32.0
133.10144	39.6
135.08084	13.8
135.11708	21.8
137.13258	2.9
143.08560	9.8
145.10164	27.3
147.08064	3.9
147.11703	46.8
149.09663	3.6
149.13254	17.2
151.11211	3.6
157.10129	10.6
159.11717	17.4
161.09680	5.1
161.13252	37.5
163.11136	3.2
163.14836	4.9
167.51268	2.9
171.11679	15.9
173.13264	11.4
175.11205	3.4
175.14864	14.9
177.12793	3.8
185.13319	13.2
187.14841	5.5
199.14877	6.0
217.15981	5.0
231.21133	7.0
237.22258	3.0
241.19521	37.0
253.25253	4.8
259.20612	97.3
261.30905	3.0
273.18555	13.7
275.20142	4.5
277.21841	3.8
291.19571	31.4
293.21176	6.6
306.91687	3.1
311.25708	3.5
313.27457	3.5
315.23209	7.9
327.28946	100.0
327.32816	5.2
333.24225	51.4
349.23663	4.6
352.37305	2.8
398.18625	2.6
491.37027	7.9
505.38815	5.6
585.48401	6.5
603.45984	32.5
614.90179	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	603.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
53.34779	0.9
53.59763	1.1
55.01865	4.1
55.05515	22.7
56.94384	1.0
57.03427	3.9
57.07079	41.8
65.03944	2.3
67.04810	2.1
67.05237	3.5
67.05507	44.1
69.03431	10.5
69.07070	28.8
71.04997	2.0
71.08636	23.8
71.51105	1.2
79.05495	31.1
81.03416	4.1
81.07059	44.0
83.05009	5.3
83.08624	16.6
85.06538	1.9
85.10194	11.5
91.05486	20.6
93.07047	23.2
95.04972	16.3
95.08614	31.8
97.02889	8.4
97.06560	4.5
97.10172	11.9
97.18956	0.9
99.08095	1.6
105.07037	17.5
106.65955	1.1
107.04959	7.4
107.08577	13.2
109.02909	1.3
109.06525	10.2
109.10160	18.0
111.04497	1.5
111.08108	2.7
115.05448	1.9
117.07009	8.9
119.08593	14.4
121.06523	3.5
121.10174	5.8
123.04398	1.2
123.08105	3.0
123.11700	4.9
125.09630	6.6
128.06255	1.6
129.06999	4.1
131.08594	12.2
133.06514	2.1
133.10114	10.2
134.76004	1.0
135.08095	5.7
135.11723	4.7
137.09621	2.6
137.13306	1.8
141.06955	1.7
143.08578	5.9
145.10138	7.9
147.08061	5.5
147.11736	5.2
148.46571	1.1
149.09645	3.7
149.13275	3.5
151.11172	1.6
157.10159	3.0
159.08089	1.7
159.11707	3.9
161.09650	3.9
161.13266	3.8
163.11176	2.2
169.12364	1.3
171.10254	1.3
171.11716	3.0
173.09564	1.0
173.13226	1.1
175.11220	2.8
175.14807	1.2
177.12733	3.3
182.52290	1.0
185.13300	1.3
186.38887	1.1
187.14804	1.0
189.11230	2.4
189.12813	1.8
205.12334	2.7
217.15868	1.3
223.13269	15.7
227.12605	1.1
227.18013	1.4
239.23804	3.9
241.19595	2.3
245.19044	3.3
249.15120	1.1
255.17451	1.4
259.20645	7.4
273.18527	27.1
291.19556	100.0
293.21262	2.2
309.20718	1.3
313.27335	8.4
327.28931	7.0
333.24283	3.8
347.22092	5.5
365.23199	3.3
585.44751	4.6
603.46185	82.2
604.47064	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01881	5.1
55.05275	1.3
55.05518	19.2
57.03443	6.6
57.07080	32.1
59.04989	1.2
65.03942	3.4
67.05511	41.5
69.03429	6.0
69.07075	25.0
69.29594	9.5
71.04984	1.5
71.08633	20.4
77.27431	1.0
79.05500	23.1
81.03420	2.3
81.07062	37.8
83.04982	4.4
83.08622	15.0
85.02927	1.0
85.06556	5.3
85.10186	11.9
91.05489	20.4
93.07047	18.7
95.04982	16.8
95.08608	27.4
97.02892	8.2
97.06548	3.0
97.10183	8.2
105.07038	14.5
107.04973	10.3
107.08606	11.6
109.06526	18.9
109.10162	14.7
111.04480	2.2
111.08060	1.6
113.06023	10.0
116.06254	1.2
117.07032	7.5
119.08588	14.3
121.06513	3.9
121.10149	6.2
123.04407	1.4
123.08100	3.2
123.11690	5.3
125.09642	5.4
128.06163	1.2
129.07011	6.7
131.08578	10.3
133.06546	2.0
133.10155	7.0
135.08049	11.5
135.11717	4.7
137.09665	2.1
143.08638	5.6
145.06509	1.3
145.10115	8.0
147.08070	5.6
147.11737	2.7
149.09618	3.9
149.13239	2.3
153.01894	2.1
155.08595	1.4
157.10141	4.6
159.08025	1.9
159.11731	4.6
161.09598	5.3
161.13344	1.7
163.11206	3.5
165.09154	2.4
169.10239	1.3
171.11729	3.4
173.09593	1.3
173.13293	1.3
175.11253	3.1
177.12781	1.7
187.11095	1.2
189.11224	1.8
189.12773	1.6
193.12022	1.4
193.63594	1.2
195.13823	1.4
199.14830	1.4
205.12350	1.2
206.81673	1.2
217.15929	4.6
223.13261	11.6
227.12732	2.5
227.18013	1.6
239.23839	3.1
245.19113	2.2
249.15076	2.5
255.17517	3.2
273.18503	30.4
280.48947	1.2
291.19562	100.0
313.27362	8.5
347.22119	5.4
365.23392	2.0
438.58762	1.3
462.06918	1.0
491.36996	1.5
517.93054	1.1
585.45294	4.0
603.46222	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
53.45410	1.0
55.01883	5.7
55.05268	1.7
55.05511	21.1
57.03437	3.3
57.07079	30.7
57.82079	0.9
58.59295	1.0
63.04419	1.0
65.03930	2.3
65.64463	0.9
67.04810	2.1
67.05237	3.1
67.05509	35.2
68.79874	0.9
69.03432	5.6
69.07071	24.8
69.49487	4.3
69.49903	2.4
71.04993	2.2
71.08633	17.7
71.31290	0.8
79.05496	23.2
81.03424	3.7
81.07061	42.8
83.04987	4.1
83.08624	14.2
85.06537	2.0
85.10192	11.5
85.16953	0.9
91.05485	18.6
93.07050	18.8
95.04973	9.6
95.08611	27.8
97.02903	8.3
97.06536	2.7
97.10170	14.4
98.21584	1.7
102.00017	1.0
103.05456	1.6
105.07045	13.0
107.04957	6.0
107.08597	11.5
109.06531	14.2
109.10160	18.8
111.04459	3.4
111.08097	2.1
113.05997	1.5
115.05460	1.5
117.07034	8.4
119.08590	15.0
121.06499	3.9
121.10165	7.3
123.08080	5.4
123.11718	4.2
125.09642	6.3
129.07022	3.8
131.08571	9.9
133.06490	2.0
133.10147	6.4
135.08038	5.7
135.11717	2.9
137.09616	3.3
137.13245	1.2
143.08559	4.7
145.10104	8.2
147.08052	7.5
147.11725	2.7
147.56787	0.9
149.09645	3.3
149.13237	1.8
151.07550	1.7
157.10147	3.8
159.08067	1.2
159.11720	3.5
161.09610	4.7
163.11211	3.5
165.09145	3.9
166.09349	1.1
169.10153	1.3
171.07968	1.3
171.11711	2.3
175.11195	1.6
175.39445	0.9
177.12730	2.4
185.13228	1.3
189.11310	2.7
195.13849	1.5
199.14790	1.1
205.12364	1.8
217.15872	1.3
223.13284	17.1
225.11069	1.4
227.12851	2.2
227.17984	1.1
228.18341	1.0
239.23776	2.7
245.19102	3.1
249.14938	3.0
255.17491	2.1
258.09021	1.0
273.18506	26.5
273.77539	0.9
291.19556	100.0
292.19864	1.2
311.25687	1.1
313.27319	6.9
347.21930	5.2
365.23340	2.4
491.37207	2.7
505.39465	1.1
585.44965	1.5
603.46234	87.2
604.46228	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.5
51.02375	0.9
53.00324	0.1
53.03943	0.1
55.01878	0.3
55.05514	1.6
65.03931	0.2
67.05502	0.1
68.99788	0.1
69.03433	0.3
69.07101	0.1
75.35327	0.1
79.01859	7.7
83.04986	2.2
85.06592	0.1
87.00835	0.2
91.05476	0.1
95.01342	0.1
95.08583	0.2
96.04852	0.1
97.02898	1.6
98.20770	0.1
104.18838	0.1
107.01324	1.5
111.04448	27.4
112.04794	0.2
120.61160	0.1
123.00807	0.4
125.02357	3.3
125.03279	0.2
132.11293	0.1
143.03409	7.1
145.06485	0.2
153.01842	100.0
153.02896	6.6
153.29326	0.1
154.02158	0.7
173.05971	0.3
181.01320	0.3
182.05995	0.1
193.05072	0.1
197.00816	0.4
201.05428	0.6
219.06563	1.1
221.04417	0.7
223.02431	0.3
235.06065	0.1
245.04504	0.3
263.05536	5.1
281.06641	0.3
307.17972	0.1
391.06781	0.1
603.09235	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	603.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.44563	0.2
53.79116	0.2
54.31256	0.2
55.01881	0.2
55.05504	0.3
61.47973	0.2
66.90556	0.2
67.05501	0.4
69.03433	0.4
70.06585	0.7
70.07110	0.4
70.07473	0.8
79.01866	2.1
79.05495	0.3
81.07056	0.3
84.24273	0.3
85.02912	0.4
85.13218	0.2
91.05489	0.5
93.07069	0.3
97.02903	0.7
107.01315	0.5
109.10165	0.3
111.08057	0.3
119.08576	0.2
121.06568	0.2
121.10158	0.3
125.02360	1.7
128.12250	0.2
137.06042	0.2
139.03963	0.3
143.03424	3.2
147.04445	0.3
153.01842	100.0
153.02841	4.1
154.02184	0.7
167.07022	0.2
193.87900	0.2
195.02972	0.4
237.04021	1.2
285.06070	10.8
317.20984	0.2
319.04520	1.5
360.18332	0.2
361.05557	0.3
436.76996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.5
51.02377	0.9
53.00308	0.1
53.03949	0.1
55.01862	0.3
55.05510	1.7
65.03922	0.1
68.99769	0.1
69.03429	0.4
70.17808	0.3
79.01855	7.5
80.89360	0.1
83.04983	2.2
87.00822	0.4
90.44470	0.1
93.63262	0.1
94.90411	0.1
97.02895	1.4
107.01314	1.7
107.31565	0.1
111.04445	28.9
112.04797	0.3
118.75958	0.1
123.00820	0.3
125.02350	3.7
126.21892	0.1
143.03400	7.7
145.06488	0.2
151.52464	0.1
153.01836	100.0
153.02893	6.9
154.02142	0.8
173.05988	0.2
181.01320	0.5
193.04799	0.1
197.00819	0.2
201.05449	0.6
211.02332	0.1
217.04898	0.3
219.06474	0.9
221.04454	0.6
223.02374	0.4
235.06165	0.1
245.04407	0.2
263.05539	5.3
281.06613	0.3
457.31314	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	603.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.5
51.02373	1.0
51.29530	0.1
52.81277	0.1
53.00301	0.1
53.03946	0.1
55.01886	0.2
55.05263	0.1
55.05510	1.9
56.79011	0.1
65.03939	0.2
68.99795	0.1
69.03432	0.4
79.01858	7.5
83.04982	2.3
85.91780	0.1
87.00840	0.2
97.02900	1.3
98.20768	0.3
103.32681	0.1
107.01321	1.9
111.04445	30.6
123.00803	0.4
125.02353	4.0
143.03403	7.8
145.06471	0.2
153.01836	100.0
153.02902	6.7
154.02165	0.6
173.06023	0.2
181.01326	0.4
193.04970	0.2
197.00841	0.4
201.05524	0.5
217.04939	0.1
219.06520	0.9
221.04332	0.6
223.02415	0.4
235.06032	0.1
245.04402	0.2
263.05521	5.2
281.06628	0.3
464.78638	0.1
603.09631	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
55.01859	0.4
55.05501	0.4
57.03418	0.3
63.20984	0.2
65.03937	0.2
67.05496	0.4
69.03422	0.7
69.07077	0.3
71.16138	0.3
79.01855	4.7
81.07047	0.5
83.04979	1.2
85.02911	0.3
91.05489	0.3
93.07039	0.2
94.73611	0.2
95.08591	0.4
97.02894	1.2
107.01301	1.2
107.08592	0.3
109.70424	0.2
111.04463	2.4
111.08163	0.3
119.04888	0.3
121.10202	0.3
123.00735	0.3
123.11664	0.4
125.02341	3.0
129.05473	0.3
135.11707	0.3
141.26003	0.2
143.03406	5.5
145.06462	0.2
147.04469	0.3
153.01837	100.0
153.02887	5.7
154.02177	0.8
161.06027	0.2
162.82254	0.2
163.03915	0.5
167.07086	0.4
173.06017	0.5
175.03818	0.2
179.03389	0.7
181.01337	1.2
189.05453	0.3
191.03453	1.2
193.05008	0.5
195.02884	0.2
201.05458	0.7
203.03372	0.2
207.02879	2.5
207.06468	0.2
209.04449	0.4
217.05046	0.3
219.03152	0.3
219.06546	2.1
221.04483	1.4
223.02406	0.7
235.06097	0.7
237.03949	0.8
245.04492	0.7
251.05399	0.2
263.05475	1.6
281.06583	2.6
305.03094	0.6
361.05600	0.2
389.04895	0.5
603.28571	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.7
55.05500	8.9
57.03438	5.1
57.07080	100.0
58.04221	10.3
59.05009	29.1
60.83335	1.6
67.05505	13.1
69.07059	9.5
71.04978	3.1
71.08634	76.7
72.05775	18.2
73.02921	10.0
73.06561	21.3
75.17185	1.7
79.05482	8.8
81.03423	2.5
81.07057	17.5
82.07832	2.4
83.04961	2.2
83.08602	4.6
85.06525	2.8
85.10188	61.3
86.07307	2.7
86.45616	1.9
87.04083	1.7
87.04481	18.6
88.07624	2.2
89.06043	26.0
90.01920	47.1
91.05469	7.9
93.07043	9.1
95.04968	3.8
95.08617	10.3
97.10170	5.1
98.21546	5.0
99.11708	10.0
101.06003	2.7
103.07593	15.9
105.07032	7.2
107.05006	2.4
107.08579	6.9
109.06522	3.1
109.10161	6.6
113.06003	2.8
113.13285	2.9
115.05481	1.8
115.07518	2.1
116.08330	3.6
117.07005	4.0
117.09136	12.7
119.08566	8.7
121.10159	5.6
123.08125	2.4
123.11711	2.1
129.06972	2.8
131.07019	3.0
131.08575	4.3
133.08598	12.8
133.10103	7.1
135.08057	5.0
135.11719	2.4
141.16315	2.0
143.08588	4.1
145.08585	2.1
145.10083	6.3
147.08017	3.6
147.10124	4.4
147.11650	3.2
151.07544	3.9
152.15625	3.0
155.08672	1.9
155.17953	5.1
157.10042	2.1
159.11702	2.7
161.11771	2.9
165.09117	3.3
171.11777	2.0
177.11244	4.9
178.07133	9.8
180.12204	2.8
183.11639	2.4
183.17432	6.4
194.13846	2.2
208.15492	4.2
212.21353	5.2
213.22089	7.4
221.15356	5.8
222.09740	8.0
229.44957	2.0
238.16583	2.5
252.18173	2.1
257.24768	4.0
266.12381	4.2
266.19653	2.9
267.18002	2.9
273.18555	3.4
282.19012	3.0
285.17911	2.8
291.19525	3.7
296.20618	4.7
312.20114	3.1
362.32486	4.9
372.18600	5.6
401.66830	1.9
450.37967	14.2
601.42596	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	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.4
55.01870	4.2
55.05516	25.2
57.07082	15.3
57.75333	3.1
59.04991	5.8
65.03940	3.9
65.63706	3.1
66.34520	3.8
67.05508	41.9
69.03433	14.5
69.07065	25.8
69.88421	5.6
69.88841	10.5
71.04984	4.2
71.08628	4.0
79.05490	38.4
81.03400	16.3
81.07059	49.5
82.07397	4.3
83.04986	16.1
83.08617	18.2
85.06534	10.2
87.04463	5.8
89.06030	8.0
91.05488	69.9
93.07050	83.4
94.07365	4.1
95.04970	25.0
95.08604	44.3
96.08910	3.7
97.06527	11.4
103.05467	7.7
105.04518	3.0
105.07038	100.0
106.07325	4.2
107.08591	77.0
108.08951	6.6
109.06517	13.3
109.10172	39.4
111.08077	5.5
113.09661	6.3
113.59248	3.1
115.05467	12.6
116.06278	3.8
117.07034	24.3
119.06149	4.5
119.08581	89.7
120.08916	5.0
121.06522	14.9
121.10149	80.5
122.10468	3.7
123.08051	24.5
123.11708	8.3
125.06055	3.4
125.09619	15.1
128.06198	14.4
129.07036	20.5
130.07782	10.7
131.04939	3.4
131.08589	49.4
132.08954	3.5
133.06467	4.8
133.07648	3.2
133.08591	4.7
133.10124	53.8
134.10480	5.2
135.08084	18.9
135.11707	21.8
137.09621	10.3
139.11171	7.1
141.07001	9.7
142.07773	27.3
143.08589	48.2
144.09239	12.1
145.10129	73.1
146.10492	7.5
147.08064	14.6
147.11685	22.1
149.09647	17.5
150.10008	3.7
151.07526	7.2
151.11232	3.9
153.07047	5.0
154.07730	4.5
155.08578	18.4
155.10654	8.7
156.09344	22.4
157.10123	61.5
158.10724	10.6
159.08080	22.0
159.11700	45.4
160.05109	4.7
160.12004	5.8
161.06021	5.8
161.09680	16.0
161.13266	10.3
163.11154	8.0
165.06995	6.5
165.09125	10.0
166.07706	3.6
167.08571	14.8
167.10699	55.6
168.09192	9.8
169.10124	35.5
170.10640	9.3
171.11685	37.2
172.12157	7.2
173.06047	5.0
173.09590	4.3
173.13266	29.2
174.13701	4.4
175.11221	15.3
175.14816	10.3
177.09137	4.8
177.12740	3.2
178.07735	4.1
179.08571	10.6
180.09189	6.2
181.10115	18.7
181.12210	3.5
182.10826	11.0
183.11699	32.8
184.12253	9.1
185.13263	15.3
186.13492	3.6
187.11165	6.6
187.14803	7.6
189.12766	8.7
189.16402	4.0
191.14218	5.8
192.09294	6.2
193.10121	10.2
194.10846	10.8
195.11710	25.9
196.12317	11.5
197.13301	25.1
198.13704	4.5
199.11067	4.9
199.14856	15.3
201.16423	4.6
203.14384	10.6
206.10895	8.1
207.11720	16.1
207.13507	3.5
208.12270	7.6
209.13243	26.0
210.13806	7.2
211.11220	3.4
211.14857	18.8
213.12749	9.2
213.16437	5.9
214.13025	5.5
215.14345	7.2
219.11684	6.2
220.12459	6.5
221.13170	10.3
221.15370	23.3
222.13754	5.3
223.14764	17.5
225.12785	5.4
225.16461	8.6
227.14238	6.1
228.14694	3.2
232.12416	5.7
233.13208	5.4
233.15384	29.0
234.15852	8.3
235.14854	10.3
236.15233	4.7
237.16313	11.1
238.16714	4.0
239.14363	3.8
239.17825	5.1
241.16106	4.3
245.13280	4.4
247.14694	5.9
249.16310	8.0
250.16783	3.3
251.17993	8.4
255.17409	10.7
256.17728	7.7
259.14874	7.5
261.16241	5.4
263.18024	7.3
264.18469	3.8
269.18936	10.3
271.13239	6.8
271.20224	3.9
273.18622	5.7
275.17810	4.9
276.18332	3.8
281.18887	7.6
283.20544	5.3
285.18579	4.5
287.20065	4.3
295.20486	3.9
299.20328	4.3
361.25180	3.3
365.24539	3.8
377.24500	3.7
384.25790	3.4
565.40228	3.4
581.04175	3.5
583.41400	8.5
601.22687	10.7
601.41516	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	3.1
52.41228	2.7
53.03951	6.6
55.05519	23.4
57.07083	49.2
58.07416	7.1
59.05006	9.5
65.03923	4.9
67.05518	28.3
67.69365	3.2
68.05830	3.5
69.03442	15.8
69.07069	21.9
71.04979	3.1
71.08646	31.7
72.08965	4.2
74.62596	2.5
77.03950	4.4
79.05495	30.5
81.07063	40.4
83.04984	16.6
83.08636	15.6
85.06573	5.6
85.10199	20.4
86.10520	5.6
87.04464	10.1
89.06041	42.0
90.06382	5.5
91.05487	59.3
93.06480	5.6
93.07053	76.7
94.07394	4.3
95.04993	22.1
95.08619	38.8
97.06552	13.1
103.05457	6.8
105.04537	3.6
105.07043	100.0
106.07321	4.3
107.04970	4.9
107.08611	72.4
108.08971	3.6
109.06525	15.8
109.10168	34.7
111.08109	4.8
113.09657	7.0
115.05476	5.3
117.07042	17.7
119.08595	90.8
120.08913	5.7
121.06535	11.1
121.10153	64.4
122.10463	3.7
123.08127	13.6
123.11756	6.2
125.09634	14.8
128.06244	14.8
129.07048	22.6
130.07805	10.5
131.08577	45.4
132.08969	2.5
132.09276	2.5
133.06526	5.3
133.08629	31.8
133.10133	63.2
134.08957	7.0
134.10480	4.7
135.08032	20.1
135.11688	23.4
137.09618	9.6
139.11206	6.0
141.07010	8.1
142.07816	24.1
143.08580	42.9
144.09294	11.7
145.06438	3.5
145.10141	67.8
146.10535	5.5
147.08061	12.6
147.11728	22.0
149.09637	22.3
149.13286	3.8
151.07571	5.0
151.11218	3.8
153.07030	3.7
154.07710	5.7
155.08611	17.4
155.10669	5.8
156.09360	18.2
157.10141	58.4
158.10631	8.9
159.08134	14.7
159.11734	33.8
160.12056	4.1
161.09621	12.2
161.13274	8.0
163.11237	8.1
165.06929	9.4
165.09157	8.9
166.07777	3.1
167.08560	8.6
167.10699	44.4
168.09314	5.1
169.10139	24.7
170.10788	6.5
171.11705	30.5
172.12263	4.6
173.09656	5.8
173.13318	22.8
175.11165	11.3
175.14890	11.6
177.11253	8.8
178.07816	3.8
178.11615	4.1
179.08553	9.2
180.09441	6.3
181.10155	15.9
181.12299	4.7
182.10854	11.4
183.11726	23.8
184.12383	4.8
185.09657	3.4
185.13208	20.3
187.11232	8.5
187.14821	8.6
189.12718	8.8
193.10133	12.8
194.10806	9.3
195.11723	31.1
196.12444	12.0
197.09471	3.6
197.13292	22.8
198.13745	6.1
199.11214	4.0
199.14888	12.8
200.15280	3.9
201.12726	7.3
201.16382	4.1
203.14360	8.2
206.10890	5.2
207.11673	13.1
208.12263	7.7
209.13280	20.4
209.15028	3.6
210.13966	7.7
211.11320	3.1
211.14943	14.6
213.12778	5.0
213.22284	3.0
215.14374	8.0
217.15800	4.4
219.11710	7.1
220.12505	6.5
221.13289	11.0
221.15424	19.7
222.13939	8.7
223.14789	16.1
224.15302	4.5
225.16408	8.6
227.14366	5.3
229.46378	3.9
231.17346	3.3
232.12405	4.1
233.13249	8.7
233.15460	22.3
234.13898	4.5
235.14876	12.8
237.12819	3.4
237.16493	8.8
239.14629	3.1
239.17917	4.9
245.13171	4.1
247.14780	5.7
248.15631	3.2
249.16502	6.9
251.18100	5.2
253.19624	3.9
255.17464	10.9
256.17896	9.6
259.14734	3.9
263.17886	4.5
264.18475	3.0
265.19495	6.4
266.19843	3.7
269.19153	7.8
270.19440	3.9
273.16251	3.8
281.18954	5.0
291.21231	3.5
299.20386	4.2
309.22220	3.5
311.20111	5.2
371.23126	5.1
372.23224	5.1
531.20038	3.0
583.41687	6.0
601.41937	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	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.3
55.05515	24.1
57.07070	10.4
67.05513	32.1
69.03416	18.9
69.07071	22.2
70.27079	4.2
71.04987	4.3
77.03903	4.4
79.05498	37.2
81.07067	40.6
83.04973	19.3
83.08621	12.5
85.06553	5.9
91.05491	63.2
93.06493	5.2
93.07050	83.5
94.07359	7.8
95.04957	18.5
95.08604	41.2
97.06527	11.9
103.05458	7.9
105.04527	5.9
105.07035	100.0
106.07333	8.5
107.04930	4.7
107.08611	69.6
109.06498	16.1
109.10179	31.8
111.08096	7.1
115.05436	9.2
117.07008	21.1
118.39193	4.1
119.08595	92.4
120.08930	5.4
121.06496	15.1
121.10155	84.0
123.08066	14.4
123.11738	9.0
125.09606	12.6
128.06216	17.2
128.53877	3.8
129.07019	19.0
130.07841	6.0
131.08592	51.7
133.06474	8.5
133.10149	55.3
134.10449	7.8
135.08022	16.5
135.11729	23.4
136.53564	4.5
137.09631	10.1
139.11168	8.1
141.06929	10.9
142.07800	25.2
143.08551	40.9
144.09155	9.8
145.06465	5.7
145.10143	69.6
146.10519	6.8
147.08026	14.3
147.11687	32.3
149.09618	20.5
151.07532	6.9
151.11139	7.7
153.07007	7.9
155.08585	25.5
155.10689	8.9
156.09372	21.4
157.10176	62.0
158.10602	13.2
159.08075	19.5
159.11674	44.7
161.09586	14.8
161.13254	5.6
163.11214	11.7
165.07028	6.9
165.09109	9.6
167.08565	14.1
167.10693	55.1
168.09315	13.8
169.10184	30.4
170.10806	7.3
171.11691	42.5
172.12099	8.1
173.09694	6.1
173.13272	24.2
174.13690	4.9
175.11206	12.4
175.14809	14.7
179.08563	10.5
180.09172	6.5
181.10077	19.3
181.12206	7.8
182.10774	5.7
183.11723	31.8
185.13242	15.2
186.71172	4.0
187.11238	11.3
187.14781	12.8
189.12729	9.9
193.10106	16.1
194.10844	9.4
195.11745	23.4
196.12331	10.6
197.13251	23.5
198.13637	8.3
199.11252	5.5
199.14804	14.1
201.12758	6.6
201.16519	6.7
202.36032	4.0
203.14296	9.6
206.11005	11.9
207.11642	15.3
207.13586	4.4
208.12381	10.0
209.13231	16.0
209.15166	5.3
210.13770	9.8
211.11143	8.4
211.14804	18.3
212.15126	8.3
213.12704	9.0
213.16397	4.8
215.14287	5.5
217.15605	4.3
221.13229	13.0
221.15359	15.4
222.13794	10.0
223.14807	15.3
225.12947	5.6
225.16447	9.8
227.14287	5.9
229.15869	5.6
231.11774	7.0
233.13266	8.4
233.15388	36.3
235.14781	5.8
237.16409	8.7
247.14763	7.6
247.65053	4.6
249.16319	8.8
251.17938	4.7
255.17366	10.0
257.18924	6.6
258.13989	5.0
261.16351	7.5
265.19504	6.4
269.19089	8.8
270.19623	5.6
273.16318	6.6
281.19070	7.0
285.18430	5.2
347.23871	6.0
358.84879	4.5
528.03650	4.5
565.40192	6.4
583.41119	7.7
601.42261	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	601.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
54.25912	1.4
55.05500	5.3
56.41140	1.7
57.07071	10.3
59.04978	3.1
65.03947	3.3
67.05497	11.6
69.03431	6.9
69.07051	5.6
79.05502	14.1
80.00141	1.7
81.07065	20.0
83.04962	3.6
83.08597	4.1
85.06532	2.3
91.05479	25.4
93.07040	38.3
95.04955	5.3
95.08606	20.5
97.06526	3.6
98.20762	5.0
103.05434	3.5
105.06397	3.3
105.07028	41.4
106.07368	2.3
107.08598	21.0
108.08855	2.2
109.06507	7.8
109.10130	7.8
115.05429	2.2
117.07030	14.9
119.08574	41.6
120.08897	3.3
121.01130	2.1
121.06474	5.8
121.10152	23.5
122.07201	1.9
123.08105	11.8
123.11683	3.1
125.05992	4.7
128.06256	3.4
129.06972	7.3
130.07762	3.4
131.08574	15.6
133.10129	19.9
135.08081	12.6
135.11676	6.6
137.05983	2.4
137.09616	14.4
142.07771	7.2
143.08585	14.7
144.09352	3.4
145.10129	25.5
146.10428	3.6
147.08061	20.8
147.11691	8.3
149.09639	4.2
150.10382	2.4
151.07549	12.0
155.08524	5.7
156.09293	3.9
157.10144	25.0
158.10585	4.2
159.08038	3.0
159.11742	17.3
161.09584	6.3
161.13245	5.8
163.11249	9.4
165.07010	2.8
165.09119	43.4
166.09401	5.2
167.08542	3.3
169.10112	10.6
170.10776	2.6
171.11719	12.5
172.12236	3.0
173.09604	5.3
173.13239	6.8
175.11160	7.9
175.14777	5.1
179.08582	3.0
181.10117	4.4
181.12250	11.1
182.10910	4.0
182.12520	3.2
183.11685	8.3
185.13257	9.6
186.13785	2.0
187.14790	5.7
189.12691	5.2
190.13536	3.5
191.10590	2.4
191.14227	3.1
193.10095	2.7
193.12166	4.6
194.12579	2.3
195.11626	9.5
196.12381	3.5
197.13228	8.7
199.11197	2.7
201.12732	3.3
203.14270	16.7
207.11934	2.3
207.13780	7.7
208.12421	2.6
208.14346	2.4
209.13173	8.3
209.15117	2.5
211.14789	6.8
212.11758	2.0
219.13722	2.7
220.12247	2.3
221.13425	5.0
221.15356	100.0
222.15727	13.2
223.14705	2.8
227.14267	2.5
233.13229	3.0
234.16066	4.7
235.14546	2.7
235.16638	3.9
237.16383	2.7
240.14874	2.1
247.14795	2.5
247.16988	8.7
248.17297	4.4
249.16393	2.6
265.19388	2.0
274.19189	3.3
283.20486	2.0
286.19257	2.9
287.19919	6.3
299.20224	3.7
300.20477	4.0
301.21399	3.3
311.79443	1.9
312.20743	2.5
313.21170	3.0
325.21463	4.0
326.22034	3.0
340.23535	2.6
352.23895	8.0
353.24261	6.8
366.25186	2.3
367.26279	3.8
375.26425	3.0
393.27792	3.5
420.29648	3.6
425.26138	2.3
426.26981	3.2
428.28723	2.7
440.29242	5.6
441.29407	13.7
491.35065	6.8
509.35965	4.6
521.36084	12.4
583.41656	9.7
601.42419	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	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86327	1.6
53.03948	4.0
53.34224	1.6
55.01857	2.0
55.05494	5.4
55.32857	1.8
56.75856	2.1
57.07063	8.0
67.05244	1.4
67.05509	16.9
69.03429	6.2
69.07056	6.2
69.26373	6.1
69.26795	9.8
79.05492	16.8
80.19657	1.7
81.03410	1.9
81.07060	19.9
83.04971	6.4
83.08610	3.9
85.06541	6.3
91.05484	27.5
93.07053	30.3
94.07351	1.9
95.04963	7.9
95.08616	19.3
97.06534	3.5
97.10150	2.2
105.07042	35.1
107.04941	2.8
107.08611	23.0
107.32932	1.6
109.06544	8.6
109.10165	9.2
111.08057	2.3
112.04315	1.7
114.63322	1.8
115.05410	2.3
117.07001	9.7
119.08591	37.5
121.06499	6.8
121.10136	17.6
123.08074	15.6
123.11742	2.9
125.05986	6.5
128.06245	3.6
129.06958	7.6
130.07816	3.2
131.08594	15.6
133.06538	3.3
133.10155	18.5
135.08075	12.0
135.11708	8.9
137.05934	2.2
137.09660	11.9
141.06973	2.4
142.07825	8.7
142.08775	1.9
143.08578	13.2
144.09309	2.1
145.06474	2.1
145.10152	31.9
145.11272	2.3
146.10530	2.4
147.08060	20.0
147.11729	8.2
148.08434	1.8
149.09586	6.2
151.07494	11.5
155.08553	8.0
156.09305	6.5
157.10155	18.4
158.10689	3.1
159.08096	5.1
159.11711	17.7
160.12068	2.3
161.09613	6.4
161.13322	4.0
163.11223	12.0
165.09122	43.3
166.09409	3.4
167.08456	2.0
168.09375	2.1
169.10149	10.2
170.10840	4.0
171.11684	11.3
172.12410	2.5
173.09590	2.2
173.13281	7.4
175.11217	7.0
175.14854	3.1
177.09091	2.5
177.12756	1.8
181.10097	4.3
181.12236	10.9
182.12547	2.1
183.11670	7.3
185.09616	2.4
185.13246	6.8
187.11133	3.1
187.14775	5.9
189.12740	2.3
190.13553	2.2
191.14311	3.5
193.10049	3.0
193.12198	2.5
194.10870	2.6
194.12617	2.1
195.11661	7.4
196.12578	2.1
197.13269	6.7
199.11108	3.7
199.14752	3.7
201.12796	3.8
203.14328	15.4
204.14671	1.8
205.15991	1.6
206.10840	2.0
207.11765	4.1
207.13797	6.1
208.12459	2.6
209.13254	7.4
209.15112	2.7
210.13779	2.8
211.14883	5.4
212.15407	2.6
213.12608	3.0
213.16382	2.7
219.13803	2.1
221.13303	5.1
221.15372	100.0
222.15736	11.6
223.14807	3.9
224.15550	2.2
229.15866	2.2
233.13254	2.1
234.16168	5.9
235.14732	4.0
235.16826	2.8
237.16344	2.1
247.16943	7.2
248.17398	5.4
249.16467	2.7
253.15904	2.0
261.69919	1.7
275.19809	3.4
283.20627	3.2
286.19330	4.1
287.20001	4.9
299.19922	2.4
300.20532	6.1
301.21597	3.8
312.20819	2.2
313.21454	4.1
325.21802	2.7
326.22165	4.0
327.23013	1.9
338.22137	2.1
340.23962	2.9
341.24359	4.7
352.23901	7.4
353.24304	6.4
367.26389	8.9
393.27719	3.1
405.44269	1.8
426.27237	2.4
427.27792	2.5
428.28732	3.4
440.29187	4.2
441.29794	11.7
491.35071	10.4
508.34308	2.0
509.35928	4.2
520.35046	3.2
521.35858	11.5
568.38440	1.8
583.41278	13.1
601.42419	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	601.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
53.00315	0.6
58.72307	0.5
61.02945	0.7
67.05528	0.6
69.03434	9.8
70.06579	0.5
71.06577	0.5
71.15367	0.7
71.15717	0.6
73.58622	0.5
79.01859	2.9
81.03396	1.3
85.02869	0.5
93.07083	0.7
97.02885	2.0
106.02061	0.5
107.01323	1.2
107.04946	0.7
109.02875	0.9
110.39763	0.6
121.02846	1.1
125.02351	2.4
126.05542	0.9
127.03926	5.9
131.00200	0.5
131.04951	0.8
143.03423	4.8
151.03943	0.9
153.01842	100.0
153.02899	5.5
154.02170	0.9
163.03912	1.2
165.01871	0.9
171.02776	0.7
175.04016	0.7
179.03421	1.2
179.10667	0.5
181.01262	0.6
183.02963	0.5
191.03400	2.3
193.04890	0.6
197.04434	0.6
205.05122	0.9
207.02953	1.3
209.04482	0.6
219.02881	0.6
233.04539	1.5
237.03947	3.2
261.04160	0.6
279.05057	1.1
279.44186	0.6
287.05518	31.2
297.06161	3.3
315.07236	4.2
329.06543	0.6
404.63708	0.5
434.28522	0.5
438.25125	0.8
601.29181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1196
Annotation	Kaempferol 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
50.01941	0.2
51.02393	0.4
53.03955	0.9
55.01873	0.3
57.03447	0.3
57.88175	0.2
65.03944	1.0
67.01873	0.4
68.99818	1.0
69.03441	2.1
69.51850	0.3
69.61906	1.6
70.06599	0.5
71.35793	0.3
79.01856	1.7
79.05469	0.2
81.03422	6.5
83.27123	0.2
85.02914	1.6
95.04974	1.6
97.02897	4.0
98.20848	0.5
99.04471	0.7
107.01350	1.0
107.04971	0.4
109.02897	3.2
110.85416	0.2
111.04441	0.5
120.04498	0.4
121.02878	26.6
121.03906	0.9
121.91773	0.3
125.02359	1.7
127.03926	3.5
133.02821	0.3
135.04453	1.3
137.02356	2.6
137.06013	0.3
139.03906	3.3
143.03401	2.8
145.05000	0.7
145.06578	0.3
147.04498	0.3
153.01843	58.4
153.02879	3.0
154.02151	0.4
161.02419	0.5
165.01877	0.9
171.01566	0.5
171.02905	5.5
179.03444	0.4
183.02971	0.3
193.76163	0.3
199.80685	0.3
203.03326	0.3
204.33621	0.3
213.05394	0.5
226.27377	0.3
231.06407	0.3
241.04999	0.6
245.04666	0.3
265.07117	3.1
269.04706	0.4
283.08197	0.9
287.05518	100.0
288.05905	1.2
297.06104	5.1
303.05014	0.8
315.07132	1.5
319.04520	9.3
329.06479	0.4
555.73718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1192
Annotation	Quercetin 3-(2''-galloylrhamnoside)
Peak:m/z	Relative Intensity
51.02382	0.5
55.01887	0.4
55.05503	0.3
69.48707	2.3
79.01851	3.3
83.04983	1.8
97.02885	0.8
107.01324	1.1
109.26981	0.3
111.04429	0.7
117.81268	0.3
125.02351	1.8
127.03992	0.4
137.02328	0.5
143.03406	4.5
153.01839	100.0
153.02882	5.0
154.02200	0.5
156.63411	0.4
251.49333	0.3
257.04526	0.4
287.05389	0.4
299.07709	4.2
303.05014	6.3
312.34210	0.3
340.45493	0.3
345.06180	0.6
353.36594	0.3
488.13998	0.4
527.80865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37549	0.4
51.02385	0.7
55.01869	0.4
55.05519	0.5
57.03431	0.3
61.02929	0.4
63.19425	0.3
65.03920	0.5
67.05494	0.9
68.99798	0.4
69.03431	3.4
69.07065	0.4
69.18634	3.2
70.06596	0.4
71.05000	0.4
79.01857	4.4
79.05527	0.4
81.03411	1.1
81.07049	0.9
83.04986	0.9
85.02928	1.8
86.09720	0.4
87.00809	0.3
91.05494	0.5
93.07061	0.5
95.04976	0.5
95.08562	0.4
97.02902	5.0
99.04438	0.4
105.07042	0.4
107.01350	1.4
107.04929	0.4
107.08592	0.5
109.02877	1.1
109.10175	0.5
111.04460	2.0
113.57166	0.3
121.02872	1.9
121.03632	0.3
121.10145	0.4
121.41105	0.3
123.04470	0.4
123.08126	0.3
125.02357	3.3
127.03953	1.5
133.02942	0.5
135.04453	0.5
137.01350	0.6
137.02351	6.6
137.03406	0.7
137.05986	0.6
139.03938	0.4
141.07001	0.4
143.03407	6.3
143.63448	0.3
145.04985	1.0
145.06575	0.5
147.04468	0.4
148.65126	0.3
149.02383	0.6
151.03918	1.2
153.01843	100.0
153.02895	5.4
154.02203	1.0
159.11543	0.3
161.02336	1.0
163.03928	0.7
165.01900	1.1
167.03423	0.8
167.10811	0.4
171.02879	1.8
173.06018	0.5
177.01855	1.0
177.75537	0.3
179.03445	1.1
181.01337	0.8
183.02835	0.4
191.03513	0.5
195.02855	0.6
197.06036	0.6
201.05426	0.9
203.03452	0.4
207.02890	2.4
209.04539	0.3
213.05446	0.5
219.02901	0.5
219.06480	1.5
221.04588	0.5
223.02473	0.5
225.05519	1.0
229.05148	0.3
237.03969	0.6
241.05034	0.5
243.06587	0.4
245.04498	0.7
253.05026	0.9
259.06091	0.3
263.05597	0.9
271.06042	1.0
281.03934	0.6
281.06610	5.7
285.04028	0.3
287.05521	31.5
288.05957	1.8
289.06088	1.0
299.05078	4.6
299.08240	1.1
302.04260	1.1
303.05032	3.0
313.07089	0.3
315.04965	9.6
316.05588	1.4
325.03647	0.4
327.05008	16.3
329.03030	0.5
329.06320	0.5
341.02917	0.5
341.06476	1.6
343.04471	0.7
343.08255	0.4
345.06085	19.0
353.06665	0.7
357.06067	0.7
367.08105	0.8
369.06158	3.5
387.07022	0.5
391.80707	0.3
395.07568	2.7
413.08704	5.2
431.09763	6.0
443.58926	0.3
449.10907	3.1
453.07559	0.5
479.06421	0.4
486.48810	0.3
497.07135	2.1
583.10626	0.3
601.11859	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	601.1191
Annotation	Kaempferol 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
51.02373	0.9
67.05498	0.6
69.03429	2.5
69.15474	5.2
69.15878	0.8
74.36453	0.5
79.01860	4.8
81.03394	1.1
83.04972	0.9
85.02905	1.2
95.08655	0.6
97.02888	4.0
107.01323	1.6
109.02893	0.9
111.04430	1.8
121.02848	1.6
123.37811	0.5
125.02383	2.6
127.03864	0.7
133.02803	0.6
137.02342	6.8
143.03397	5.6
149.02272	0.6
151.03902	0.7
153.01834	100.0
153.02873	5.0
161.02350	1.3
163.03937	0.9
165.01826	0.9
171.02882	1.3
177.01859	0.8
179.03426	1.1
189.01935	0.8
195.02887	0.9
207.02849	3.5
213.05489	0.5
219.02875	0.7
219.06583	1.7
221.04408	0.6
223.25993	0.5
229.04977	0.9
237.03989	1.1
263.05487	0.9
271.06122	1.2
281.06580	6.4
287.05511	21.0
288.06171	0.8
295.06061	0.7
299.05045	3.9
299.08286	1.1
302.04352	1.0
303.05103	3.0
313.07312	0.6
315.04977	8.9
316.05823	1.4
327.05008	14.8
329.06509	0.7
341.06592	1.8
345.06064	20.4
357.05893	0.7
367.08096	0.9
369.06262	3.2
387.06989	0.6
395.08063	2.5
413.08670	5.4
431.09744	5.2
449.10767	3.1
449.83243	0.6
456.70151	0.5
497.07224	1.5
562.50940	0.6
601.11584	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83800	3.1
51.10838	3.0
52.34056	3.2
53.03937	4.0
55.05511	22.1
56.03536	2.9
57.07069	7.3
61.24424	3.1
65.03928	4.7
67.05505	26.6
69.03429	15.1
69.07083	22.1
69.14838	31.5
69.15244	5.2
70.57533	3.6
71.04995	4.8
79.05495	36.8
81.07065	37.9
83.04968	17.0
83.08611	11.5
84.15961	2.9
85.06556	12.2
91.04911	4.2
91.05480	59.9
93.07045	74.3
94.60549	3.4
95.04987	18.9
95.08611	34.4
97.06536	12.6
98.20752	7.6
103.05489	5.7
105.07037	100.0
107.08600	51.4
109.06542	19.1
109.10178	24.8
111.08073	5.9
113.09658	5.3
115.05439	6.4
117.07027	20.5
119.08598	94.2
119.09443	3.1
121.06544	15.8
121.10162	55.8
123.08093	30.9
123.11713	7.7
125.09624	13.3
128.06194	15.3
129.06984	26.8
130.07788	10.3
131.08591	47.5
132.09341	4.7
133.06490	10.4
133.10124	44.8
135.08078	25.5
135.11697	13.1
137.09628	13.0
139.11180	4.7
141.06992	17.5
142.07793	35.8
143.08577	50.4
144.09377	20.1
145.06491	8.2
145.10127	75.4
147.08058	30.5
147.11702	22.9
149.09610	19.7
149.85814	3.3
151.07530	14.5
151.11270	4.6
154.07767	7.1
155.08562	26.6
155.10634	8.5
156.09372	28.1
157.08830	4.9
157.10126	84.5
157.11333	6.1
158.07182	3.1
158.10942	10.4
159.08070	19.2
159.11700	47.4
160.08914	4.9
161.09621	19.8
161.13272	10.3
163.11195	14.5
165.07013	9.2
165.09094	29.4
166.07751	5.8
167.08565	10.6
167.10631	15.0
168.09335	7.6
169.10117	37.0
170.10962	13.2
171.11717	44.9
172.12448	5.6
173.09622	13.8
173.13292	22.1
175.11182	23.8
175.14922	6.6
177.12695	3.3
179.08568	12.0
180.09358	9.8
181.10150	24.6
181.12230	10.7
182.10912	12.7
183.11713	30.8
185.09581	6.1
185.13261	21.1
186.14096	5.4
187.11211	10.6
187.14883	9.6
188.11986	3.7
189.12784	13.4
190.13512	8.4
191.08516	4.4
191.14328	5.4
192.09366	7.6
193.10150	15.4
193.12265	7.4
194.10919	10.0
195.11668	27.6
196.12527	10.1
197.13277	30.6
198.10458	3.7
199.11209	8.0
199.14841	11.6
201.12737	5.4
203.14322	22.8
205.10127	6.5
206.10991	7.3
207.11714	18.9
207.13849	11.6
208.12524	14.5
208.14473	6.3
209.13289	19.9
210.14230	5.6
211.11322	6.0
211.14803	15.1
213.12776	11.6
213.16420	7.1
215.14386	12.5
218.11090	6.1
219.11708	9.0
219.13835	8.9
220.12396	6.0
221.13277	17.5
221.15411	55.9
223.14822	12.6
225.12784	7.6
225.16443	8.8
227.14299	9.9
227.34784	3.5
229.15785	4.0
231.11717	5.2
233.13182	8.9
233.15402	19.5
234.14055	4.3
234.16214	7.4
235.14896	15.8
236.15669	5.4
237.12706	4.6
237.14873	17.4
237.16801	7.3
246.16222	5.0
247.14841	9.2
247.17082	6.3
249.16399	12.9
251.14317	6.9
251.18050	4.7
253.15915	6.8
255.17470	33.5
259.14691	6.7
260.15567	4.6
261.16464	8.4
263.18027	5.4
264.18588	3.7
265.19473	5.0
267.17465	4.9
270.19794	10.2
273.18652	5.6
274.19305	8.3
281.18982	5.6
285.18472	7.3
286.19186	10.5
287.19971	6.2
294.19968	4.1
295.20663	5.8
297.18597	5.9
299.20050	10.9
303.19574	29.3
309.22089	3.5
313.21695	8.4
325.21594	10.2
337.21631	4.7
352.23944	54.8
360.24576	4.0
365.24887	18.9
502.34323	5.7
503.35522	5.2
507.34796	5.4
520.35492	24.9
582.40302	4.7
600.41437	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.3
53.03941	6.9
55.01865	4.7
55.03893	2.0
55.05519	19.3
57.07086	13.7
59.05014	5.4
60.79456	2.2
65.03941	4.8
67.05500	24.6
69.03429	17.4
69.07076	13.8
69.17399	4.2
69.17736	23.3
69.69533	2.2
70.06595	31.5
71.04999	2.5
79.05495	30.6
81.07062	36.1
83.04984	16.8
83.08619	9.4
85.06529	6.8
87.04472	2.8
89.06036	4.8
91.05482	48.9
93.07046	62.1
94.07883	2.5
95.04987	23.0
95.08612	39.3
97.06526	7.1
103.05468	6.1
105.07037	92.5
106.07867	2.5
107.04951	3.9
107.08603	56.7
109.06523	19.4
109.10162	14.5
111.08049	2.5
115.05484	5.3
116.06326	4.3
116.07095	37.8
116.07862	3.8
117.07018	22.9
119.04978	3.6
119.06017	2.3
119.08587	76.7
120.09367	2.3
121.06499	17.3
121.10150	48.1
122.07220	2.2
123.08081	29.8
123.11728	3.4
125.05990	7.6
125.09663	4.6
128.06229	15.2
129.07016	25.6
130.07803	8.5
131.05002	2.4
131.08571	39.6
133.06483	10.5
133.08620	3.8
133.10132	46.9
135.08060	25.5
135.11700	11.9
137.05948	2.5
137.09637	19.1
138.89212	2.3
139.07553	2.6
139.11205	2.5
141.07007	11.2
142.07796	30.2
143.08572	56.8
144.09358	14.2
145.06487	5.7
145.10138	63.5
146.10875	4.7
147.08072	40.8
147.11731	12.0
149.09625	22.1
149.13264	3.8
151.07536	21.6
151.11111	3.2
153.07047	3.6
153.09090	2.8
154.07788	4.4
155.08603	19.4
156.09341	16.4
157.10138	82.7
158.10927	12.5
159.08067	23.3
159.11713	43.9
160.08765	5.1
161.09605	23.5
161.13272	7.7
162.10326	2.2
163.07555	3.3
163.11205	18.3
165.06990	7.3
165.09114	50.6
166.07729	3.3
167.08601	10.4
167.10684	16.4
168.09331	7.1
169.10133	27.4
170.10904	12.6
171.08130	3.0
171.11705	40.8
172.12494	6.8
173.09637	14.5
173.13283	21.7
174.10393	3.1
175.11201	26.5
175.14844	5.8
176.11890	3.8
177.09126	3.6
177.12770	3.1
179.08546	8.0
179.10716	3.8
180.09367	7.4
180.11494	3.5
181.08775	2.8
181.10135	16.6
181.12242	7.8
182.10857	9.3
183.11728	27.0
184.12401	5.7
185.09650	7.0
185.13242	22.6
186.14018	2.5
187.11183	9.3
187.14832	7.3
188.11870	3.3
189.12704	13.2
190.13551	9.6
191.08691	2.4
191.10602	3.4
191.14343	7.6
192.09331	4.4
193.10278	14.5
193.11975	12.6
194.10919	7.5
195.11697	29.7
195.13503	3.8
196.12491	8.7
197.09645	4.7
197.11642	4.1
197.13260	23.0
198.10480	4.2
199.11180	8.7
199.14847	7.8
200.12080	3.9
201.09079	2.3
201.12706	8.3
202.13544	3.1
203.14326	24.2
205.10098	5.3
206.10931	5.3
207.11726	16.3
207.13831	15.2
208.12488	7.8
208.14619	9.2
209.13324	25.6
209.15271	3.0
210.10312	2.4
210.13980	4.8
211.11189	9.3
211.14743	12.1
212.12024	3.7
213.12767	11.6
213.16335	4.1
215.14413	6.8
217.10184	2.4
217.12219	4.5
217.15875	5.0
218.10895	2.3
218.16611	4.4
219.11734	5.6
219.13849	6.2
220.12453	9.3
221.13269	14.3
221.15344	87.5
222.13930	3.7
222.15883	4.5
223.11208	3.9
223.14809	9.4
225.12749	9.7
225.16422	7.7
227.14301	5.2
227.17964	2.4
229.10194	2.6
229.12350	3.1
229.15923	5.3
231.11700	4.5
232.12549	3.3
233.13284	4.5
233.15347	22.1
234.14034	4.5
234.16133	9.0
235.14874	12.0
235.16946	3.7
237.12727	6.5
237.14691	34.6
239.14310	7.0
239.17941	2.9
241.15973	5.2
245.13313	3.4
246.14030	5.5
247.14865	5.7
247.16995	9.9
248.14154	10.0
249.16383	9.3
251.14273	6.1
253.15865	8.2
255.17421	23.4
259.14722	5.4
259.17062	5.2
261.16464	6.6
267.17422	2.7
269.18988	2.9
270.19818	7.6
271.16974	7.7
273.18643	4.9
274.19382	13.8
277.19461	3.3
279.17453	5.6
281.19061	6.2
285.18512	8.9
286.19305	18.0
287.20331	11.7
289.19672	2.7
291.20636	3.0
293.18927	2.6
294.19916	6.1
295.20563	4.9
297.18777	4.0
298.19336	2.7
299.20230	13.4
303.19550	44.9
309.18875	2.7
311.19992	4.6
312.20804	2.6
313.21704	16.0
319.20486	3.7
325.21652	18.9
337.21597	13.0
352.23959	100.0
365.24728	26.3
376.70438	2.4
377.24594	5.4
383.25815	5.5
409.57681	2.1
420.30603	3.2
487.31937	5.8
502.34402	7.5
503.34778	6.7
505.32956	5.4
507.34805	7.2
508.35019	2.5
520.35529	41.3
567.38055	3.1
583.41296	4.1
585.39441	6.0
596.95868	2.5
600.41693	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83800	3.1
51.10838	3.0
52.34056	3.2
53.03937	4.0
55.05511	22.1
56.03536	2.9
57.07069	7.3
61.24424	3.1
65.03928	4.7
67.05505	26.6
69.03429	15.1
69.07083	22.1
69.14838	31.5
69.15244	5.2
70.57533	3.6
71.04995	4.8
79.05495	36.8
81.07065	37.9
83.04968	17.0
83.08611	11.5
84.15961	2.9
85.06556	12.2
91.04911	4.2
91.05480	59.9
93.07045	74.3
94.60549	3.4
95.04987	18.9
95.08611	34.4
97.06536	12.6
98.20752	7.6
103.05489	5.7
105.07037	100.0
107.08600	51.4
109.06542	19.1
109.10178	24.8
111.08073	5.9
113.09658	5.3
115.05439	6.4
117.07027	20.5
119.08598	94.2
119.09443	3.1
121.06544	15.8
121.10162	55.8
123.08093	30.9
123.11713	7.7
125.09624	13.3
128.06194	15.3
129.06984	26.8
130.07788	10.3
131.08591	47.5
132.09341	4.7
133.06490	10.4
133.10124	44.8
135.08078	25.5
135.11697	13.1
137.09628	13.0
139.11180	4.7
141.06992	17.5
142.07793	35.8
143.08577	50.4
144.09377	20.1
145.06491	8.2
145.10127	75.4
147.08058	30.5
147.11702	22.9
149.09610	19.7
149.85814	3.3
151.07530	14.5
151.11270	4.6
154.07767	7.1
155.08562	26.6
155.10634	8.5
156.09372	28.1
157.08830	4.9
157.10126	84.5
157.11333	6.1
158.07182	3.1
158.10942	10.4
159.08070	19.2
159.11700	47.4
160.08914	4.9
161.09621	19.8
161.13272	10.3
163.11195	14.5
165.07013	9.2
165.09094	29.4
166.07751	5.8
167.08565	10.6
167.10631	15.0
168.09335	7.6
169.10117	37.0
170.10962	13.2
171.11717	44.9
172.12448	5.6
173.09622	13.8
173.13292	22.1
175.11182	23.8
175.14922	6.6
177.12695	3.3
179.08568	12.0
180.09358	9.8
181.10150	24.6
181.12230	10.7
182.10912	12.7
183.11713	30.8
185.09581	6.1
185.13261	21.1
186.14096	5.4
187.11211	10.6
187.14883	9.6
188.11986	3.7
189.12784	13.4
190.13512	8.4
191.08516	4.4
191.14328	5.4
192.09366	7.6
193.10150	15.4
193.12265	7.4
194.10919	10.0
195.11668	27.6
196.12527	10.1
197.13277	30.6
198.10458	3.7
199.11209	8.0
199.14841	11.6
201.12737	5.4
203.14322	22.8
205.10127	6.5
206.10991	7.3
207.11714	18.9
207.13849	11.6
208.12524	14.5
208.14473	6.3
209.13289	19.9
210.14230	5.6
211.11322	6.0
211.14803	15.1
213.12776	11.6
213.16420	7.1
215.14386	12.5
218.11090	6.1
219.11708	9.0
219.13835	8.9
220.12396	6.0
221.13277	17.5
221.15411	55.9
223.14822	12.6
225.12784	7.6
225.16443	8.8
227.14299	9.9
227.34784	3.5
229.15785	4.0
231.11717	5.2
233.13182	8.9
233.15402	19.5
234.14055	4.3
234.16214	7.4
235.14896	15.8
236.15669	5.4
237.12706	4.6
237.14873	17.4
237.16801	7.3
246.16222	5.0
247.14841	9.2
247.17082	6.3
249.16399	12.9
251.14317	6.9
251.18050	4.7
253.15915	6.8
255.17470	33.5
259.14691	6.7
260.15567	4.6
261.16464	8.4
263.18027	5.4
264.18588	3.7
265.19473	5.0
267.17465	4.9
270.19794	10.2
273.18652	5.6
274.19305	8.3
281.18982	5.6
285.18472	7.3
286.19186	10.5
287.19971	6.2
294.19968	4.1
295.20663	5.8
297.18597	5.9
299.20050	10.9
303.19574	29.3
309.22089	3.5
313.21695	8.4
325.21594	10.2
337.21631	4.7
352.23944	54.8
360.24576	4.0
365.24887	18.9
502.34323	5.7
503.35522	5.2
507.34796	5.4
520.35492	24.9
582.40302	4.7
600.41437	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12049	2.0
53.03946	3.6
55.01857	2.9
55.05507	9.5
57.07079	13.3
63.27086	2.1
67.05499	11.6
69.03422	7.9
69.07063	7.4
69.35496	14.5
69.35909	4.9
70.72904	2.2
79.05503	14.2
80.06250	2.6
81.07064	17.6
83.04977	7.8
83.08612	4.6
89.06023	5.8
89.69988	2.2
91.05473	25.0
93.07043	32.1
95.04982	10.5
95.08609	18.7
97.06518	4.2
98.20707	3.9
105.07042	43.7
106.61352	2.0
107.08596	16.8
109.06525	10.5
109.10157	12.2
109.11388	2.5
115.05473	2.2
117.07009	11.0
119.08582	51.1
120.09369	2.2
121.06513	10.8
121.10159	24.7
123.08076	17.0
125.05988	10.0
128.06232	4.6
129.06999	11.3
130.07808	4.3
131.08582	25.9
133.06517	5.2
133.08623	4.2
133.10124	19.0
135.08057	21.7
135.11696	7.5
137.05948	3.2
137.09618	11.3
139.07571	3.1
141.06989	3.5
142.07774	10.2
143.08577	21.4
144.09355	5.6
145.06483	3.3
145.10121	40.4
147.08046	24.5
147.11664	6.2
148.08878	3.0
149.09647	11.2
151.07542	9.8
153.09077	2.6
155.08566	9.9
156.09340	7.8
157.10139	32.9
158.10892	5.1
159.08034	6.5
159.11714	19.7
161.09636	12.2
161.13271	6.3
163.11192	15.1
163.14824	2.3
165.07019	3.9
165.09120	39.0
167.08539	5.2
169.10159	14.3
169.99570	2.5
170.10852	3.3
171.08011	3.8
171.11710	20.4
173.09616	8.4
173.13312	8.8
175.11208	21.9
175.14810	5.0
177.12714	3.4
179.08627	3.8
180.09354	5.0
181.10133	7.8
181.12280	18.7
183.11723	13.6
184.12500	4.2
185.09599	6.2
185.13251	8.7
187.11224	7.2
187.14854	6.4
188.12065	3.0
189.12785	8.2
190.13527	9.0
191.10605	6.1
192.09233	2.9
193.10199	3.9
193.12257	12.0
195.11708	13.5
195.13560	2.4
196.12537	3.9
197.09573	3.5
197.13330	11.4
199.11185	6.1
199.14813	3.1
201.12770	7.5
203.10538	2.3
203.14296	19.5
207.11951	4.1
207.13878	9.9
208.12717	4.5
208.14421	12.8
209.13284	8.8
209.15215	3.5
211.11203	5.4
211.14755	4.8
213.12724	4.0
215.14343	4.0
216.15028	3.5
219.13806	9.8
221.13446	5.1
221.15367	100.0
223.11349	3.1
223.14885	5.6
225.12711	3.6
225.16344	4.0
229.15941	3.1
231.13828	3.2
233.13286	3.7
233.15355	4.6
234.16107	19.8
237.12849	4.5
239.14310	3.1
241.15979	4.2
243.13713	3.3
247.14732	2.8
247.16940	29.1
251.14417	3.3
259.16943	5.7
267.17487	2.6
273.18466	2.6
274.19360	14.3
279.17258	2.5
281.18939	4.4
283.16879	2.3
285.18597	3.4
286.19165	3.9
287.19965	11.4
297.18478	4.2
299.20096	13.7
311.20053	7.0
312.20709	11.6
313.21658	6.2
319.20914	3.5
325.21558	16.1
337.21594	5.1
339.23209	5.1
340.24014	16.3
351.22647	3.2
352.23959	31.3
365.24673	5.6
366.25574	3.3
379.26440	5.6
387.25345	4.1
391.26282	4.3
392.26810	3.3
400.26053	2.6
413.26816	7.9
416.67303	2.3
419.29477	11.3
420.30112	3.6
422.39230	2.4
425.26904	6.6
426.27734	4.7
427.28613	18.1
440.29254	51.7
442.30878	4.9
508.35245	7.7
513.24548	8.8
520.35516	32.0
521.35834	4.0
540.22931	8.4
600.25604	13.8
600.41638	23.1
620.85510	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.9
53.26119	2.0
55.05511	5.0
57.07077	14.2
59.05003	3.3
65.03927	3.0
67.05512	13.8
69.03426	7.6
69.07061	7.2
70.00397	4.6
70.00784	4.3
76.48818	2.3
79.05489	18.4
81.07060	26.1
83.04975	6.6
83.08618	2.8
85.06552	5.5
89.06039	6.5
91.05492	33.3
92.06280	2.2
93.07056	30.1
95.04980	8.7
95.08604	19.1
97.06544	6.5
103.05431	2.9
105.07040	51.0
106.07841	4.3
107.08611	28.1
108.12455	2.2
109.06522	11.1
109.10135	10.5
115.05468	4.0
117.07007	14.2
119.08588	59.2
121.06508	7.0
121.10136	21.0
123.08066	22.3
125.05972	11.3
128.06189	3.9
129.07034	10.2
130.07799	4.4
131.08572	23.4
132.09390	3.4
133.06525	4.8
133.08611	4.4
133.10129	20.2
135.08076	20.7
135.11691	7.4
137.09636	11.5
141.07016	3.7
142.07756	9.5
143.08562	22.0
144.09358	5.6
145.06512	2.7
145.10126	32.8
147.08061	27.2
147.11674	8.6
149.09651	11.4
151.07588	12.9
151.11143	2.2
155.08556	10.9
156.09341	7.2
157.10130	32.2
158.10826	2.6
159.08037	7.2
159.11707	25.1
160.08820	3.2
161.09602	11.0
161.13225	3.2
163.11188	17.3
165.09113	42.5
167.08607	3.0
168.09402	3.5
169.10150	14.9
170.10931	5.4
171.11697	20.1
172.12413	4.8
173.09619	9.5
173.13254	10.4
174.10443	2.4
175.11145	19.0
175.14708	2.5
177.09087	3.4
178.09787	3.4
179.08687	5.1
179.10706	2.9
180.09277	2.3
181.10144	8.8
181.12233	19.3
182.10913	5.2
183.11702	11.2
184.12463	3.1
185.09618	3.7
185.13292	11.4
187.11192	6.0
187.14867	5.4
189.12761	8.5
190.13536	7.3
191.10645	5.1
193.10168	5.9
193.12256	14.1
194.10899	3.5
195.11806	10.4
196.12373	4.7
197.09576	3.2
197.13263	11.5
199.11182	5.9
199.14859	3.8
201.12788	9.4
203.11079	2.2
203.14314	21.8
204.14833	2.3
206.10948	2.3
207.11749	6.0
207.13795	12.2
208.14612	9.5
209.09483	2.2
209.13251	8.6
211.11275	2.9
211.14780	7.3
212.15569	2.9
213.12743	3.8
213.16345	2.9
215.14250	3.8
219.11761	3.5
219.13809	8.1
220.12332	2.4
221.13618	3.5
221.15372	100.0
222.13824	2.8
222.15794	5.1
223.11180	2.7
223.14792	4.8
225.12708	3.8
225.16412	5.6
227.14449	2.6
229.15886	3.5
231.89809	2.0
233.13280	5.4
233.15474	3.1
234.16116	17.6
235.14809	4.4
237.12720	3.7
237.16411	3.2
239.14384	3.2
241.16017	2.7
247.14586	2.9
247.16949	35.0
248.17627	2.9
249.12456	2.2
249.16325	3.6
251.14314	3.2
251.18005	2.5
253.15997	4.3
255.13669	2.2
259.17075	4.0
261.16153	2.3
264.15210	2.3
269.15359	2.5
271.16949	4.8
274.19336	14.2
279.17490	4.1
281.19131	2.2
285.18491	3.7
286.19415	3.3
287.19980	14.6
297.18570	4.0
299.20065	15.6
311.19986	6.2
312.20895	7.4
313.21573	8.4
325.21628	14.2
326.22214	2.6
327.23032	2.9
337.21756	4.7
339.23294	7.4
340.23941	17.2
351.22913	2.1
352.24005	27.0
353.24643	3.0
362.31387	2.1
365.24692	6.5
366.25269	3.6
369.20703	2.6
379.26389	5.6
387.25241	4.9
391.26514	5.0
392.27023	4.7
400.26010	2.3
402.27768	2.5
405.28073	2.0
413.26752	4.5
419.29388	8.0
425.26901	7.0
426.27658	6.9
427.28467	18.2
428.29047	3.0
440.29294	48.3
441.29593	2.3
442.30896	5.2
452.29892	2.3
454.30621	3.9
508.35394	6.2
520.35608	27.3
585.39380	3.4
600.41510	36.3
600.56122	11.0
601.41669	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	600.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01853	1.4
55.05513	6.8
57.07080	11.7
59.04990	4.9
65.03938	2.2
67.05511	12.2
69.03438	8.8
69.07069	7.5
77.03906	1.6
79.05495	16.8
81.03429	2.1
81.07053	22.3
83.05005	6.8
83.08615	3.8
85.06530	4.8
86.17027	1.2
89.06040	6.6
90.80628	1.1
91.05482	33.1
92.06264	1.8
93.06477	2.5
93.07041	38.4
95.04979	12.5
95.08611	23.4
97.06540	6.3
98.21552	2.9
103.05458	1.5
105.04516	2.3
105.07034	50.4
106.07821	2.2
107.04951	2.4
107.08598	25.0
108.09424	1.1
109.06514	14.5
109.10166	8.9
111.08036	2.3
113.09678	1.2
115.05434	3.3
117.07015	17.2
119.04918	2.0
119.08590	55.5
120.05750	1.4
120.09364	2.8
121.06495	7.7
121.10151	26.0
122.07286	3.2
123.08068	18.9
123.11764	2.1
125.05993	11.3
128.06215	5.0
129.07010	11.7
130.07831	5.8
131.08572	27.6
132.09340	2.9
133.06468	4.6
133.07556	1.3
133.08586	4.9
133.10143	20.6
135.08049	20.0
135.11705	7.6
137.05951	2.1
137.09630	15.0
139.07552	2.9
141.06984	4.9
142.07779	11.9
143.08572	26.7
144.09352	6.7
145.06453	2.5
145.10133	44.1
145.11295	2.5
146.07187	1.5
147.07022	1.1
147.08049	30.4
147.11694	8.4
148.08745	1.5
149.09608	16.5
150.10420	2.7
151.07526	12.7
151.11224	1.9
154.07790	2.0
155.08554	11.4
156.09348	10.3
157.10138	40.1
158.10939	6.7
159.08084	8.8
159.11697	25.5
160.08809	4.7
161.09634	12.7
161.13263	8.8
163.07559	2.2
163.11209	22.6
164.12041	1.2
165.06955	2.7
165.09116	44.8
166.07758	1.5
166.09444	1.8
167.08601	6.2
168.09349	4.0
169.10138	17.9
170.10899	7.1
171.08035	2.9
171.11681	18.6
172.12460	3.2
173.09676	9.8
173.13271	8.2
175.11180	26.2
175.14851	3.4
176.11694	1.3
177.09151	3.0
177.12755	2.5
178.09941	3.0
179.08563	4.6
179.10651	3.5
180.09323	2.0
180.11504	3.8
181.10263	8.0
181.12236	20.9
182.10881	5.5
183.11705	14.6
184.12393	3.3
185.09624	3.6
185.13243	9.8
186.10307	1.4
186.14067	1.7
187.11165	5.7
187.14827	4.2
188.11858	1.8
189.12807	8.4
190.13554	10.1
191.10683	5.1
191.14291	1.7
192.09381	2.0
193.10168	6.0
193.12230	20.0
194.10867	4.8
194.12865	1.5
195.11697	12.9
195.13551	2.6
196.12439	4.0
197.09569	3.3
197.13280	11.2
198.10486	3.2
198.13945	2.0
199.11252	6.9
199.14839	3.4
200.11896	2.3
201.12808	9.0
201.35954	1.4
203.10696	1.6
203.14339	20.7
205.10199	1.8
205.12299	1.3
206.10999	2.9
206.13005	1.7
207.11682	7.5
207.13791	11.6
208.12393	3.3
208.14577	10.5
209.13283	11.1
209.15176	2.5
210.13991	2.1
211.11183	4.3
211.14818	8.6
212.11974	1.9
212.15434	2.7
213.12773	5.6
213.16289	2.7
214.13597	1.7
215.14285	5.3
216.15062	2.2
217.12323	1.6
218.10976	1.5
219.11880	2.0
219.13811	9.9
221.13438	5.1
221.15367	100.0
222.13925	1.8
222.15826	3.6
223.11238	3.1
223.14803	6.6
225.12714	5.3
225.16386	3.4
227.14407	1.8
229.12163	3.2
229.15927	3.9
231.13795	3.6
233.13287	3.1
233.15356	4.6
234.13919	2.3
234.16161	25.3
235.11160	1.8
235.14893	2.2
237.12694	5.0
237.16408	3.1
239.14380	2.2
239.17778	2.1
240.18907	2.2
241.15820	2.3
243.13745	2.9
245.15395	2.9
247.14674	1.7
247.16939	30.5
248.17738	2.5
249.16383	3.3
251.14297	3.5
253.15849	3.9
257.15451	1.8
259.14645	2.6
259.16953	6.3
260.17923	1.6
261.16257	2.7
261.18631	2.9
263.14136	1.4
263.18076	2.4
265.15875	3.5
267.17435	2.2
269.15430	2.8
269.18912	1.4
271.16919	4.1
273.18576	2.2
274.19281	16.0
277.15848	2.7
279.17456	2.1
281.19107	4.1
283.16760	2.0
285.18384	4.4
286.19278	6.0
287.20114	13.2
291.17502	1.9
295.17209	1.3
295.20541	1.4
297.18680	2.6
298.19144	2.1
299.20096	18.3
300.20819	3.9
307.20398	1.9
310.19250	2.9
311.20139	6.3
312.20871	8.4
313.21579	8.9
319.20532	2.2
325.17856	2.0
325.21603	18.2
326.22488	2.9
327.23270	3.6
333.22137	1.6
337.21741	6.9
339.23178	5.3
340.23944	19.8
351.22983	2.5
352.23965	33.9
353.24722	1.5
359.23849	1.6
365.24857	8.8
366.25504	4.0
377.24738	3.9
379.26352	5.4
387.25259	8.1
391.26285	5.0
392.27020	2.3
400.25970	2.0
402.27567	2.3
405.27515	1.7
413.26837	5.6
419.29565	11.7
420.30167	4.2
425.26944	9.7
426.27737	5.1
427.28561	14.2
440.29218	50.2
442.30573	3.8
453.29980	1.9
493.33273	1.9
494.34128	3.7
507.34613	2.7
508.35498	9.4
520.35504	30.8
521.36072	4.3
582.40527	2.3
585.39032	3.6
600.41455	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14060	2.6
53.03950	3.0
55.05501	10.3
57.07073	17.2
59.04990	7.5
67.05502	18.4
69.03427	10.7
69.07063	8.2
71.08602	5.9
71.51771	4.3
71.92713	3.1
75.31299	2.7
79.05493	17.5
81.07064	28.4
83.04990	8.1
83.08633	6.7
85.06554	6.7
85.10194	4.0
89.06036	14.0
91.05486	33.9
92.06297	4.2
93.07046	36.2
95.04966	13.7
95.08614	23.5
97.06518	6.7
99.11692	3.0
103.05448	2.9
105.07031	58.5
107.08601	33.2
109.06527	10.9
109.10159	11.5
113.56337	3.2
115.05452	4.7
117.06985	13.2
119.08585	70.3
121.06510	8.7
121.10144	23.6
122.22809	2.8
123.08092	18.2
125.05991	8.6
128.06291	5.1
129.07022	13.6
130.07768	3.5
131.08583	31.3
133.06505	3.5
133.08583	9.9
133.10152	26.0
135.08043	22.0
135.11671	6.8
137.09662	13.2
139.07547	4.0
141.06978	4.7
142.07762	14.0
143.08594	24.8
144.09311	9.6
145.10130	54.2
147.08063	39.0
147.11725	9.8
149.09634	15.9
151.07585	11.4
151.11140	7.3
155.08592	14.4
156.09370	13.1
157.10158	41.9
158.10872	4.5
159.08052	6.8
159.11685	25.5
161.09592	13.2
161.13194	7.3
163.11179	25.4
165.06987	4.6
165.09117	44.3
166.60857	2.6
167.08540	3.8
169.10118	21.5
170.10905	4.3
171.11731	17.6
172.12178	3.1
173.09644	9.8
173.13297	7.9
174.10471	3.2
175.11223	25.8
175.14867	4.3
177.11299	4.6
178.09903	4.5
179.08580	5.9
179.10695	3.5
180.11456	5.1
181.10181	7.7
181.12242	24.9
182.10942	6.6
183.11624	15.8
185.09718	6.2
185.13269	11.3
187.11116	6.4
187.14882	6.6
189.12724	10.9
190.13516	11.2
191.10641	7.6
193.10381	6.0
193.12277	18.5
194.10898	5.3
195.11719	10.4
196.12465	5.3
197.13222	17.4
199.11177	8.0
199.14804	5.2
201.12724	10.0
203.14388	21.9
207.11864	5.4
207.13811	13.4
208.12639	4.0
208.14598	11.1
209.13226	10.3
211.11224	6.3
211.14789	9.8
212.15576	2.8
213.12770	6.1
213.16350	4.1
216.15305	3.4
219.11835	4.1
219.13837	8.1
221.13402	7.4
221.15367	100.0
223.14854	6.2
225.12770	6.1
227.14244	4.6
229.15970	3.0
233.15395	5.3
234.16190	27.4
235.14850	5.6
237.12772	6.4
239.14442	4.4
241.15887	3.1
247.16960	41.5
248.17741	4.4
251.14314	5.9
259.16959	7.8
263.17926	5.7
265.16013	4.7
267.17426	3.1
271.17169	4.1
273.18384	5.2
274.19308	16.7
279.17221	2.9
281.19061	5.0
285.18524	5.9
286.19296	3.8
287.20071	12.9
297.18854	4.4
299.20102	20.6
300.21194	5.5
311.20090	4.2
312.20764	12.7
313.21524	8.8
325.21747	18.9
337.21725	4.2
339.23196	6.4
340.23920	19.4
352.24066	34.0
365.24780	7.7
366.25452	4.4
379.26395	7.7
387.25220	7.0
391.26346	5.4
413.27231	4.6
419.29498	8.6
420.30023	8.8
425.26892	10.3
427.28421	18.6
428.28967	3.1
440.29227	54.0
442.30688	5.8
507.34601	5.9
508.35345	9.1
520.35498	34.7
585.39429	6.1
600.41364	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	600.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01873	1.6
55.05514	4.1
56.05023	0.8
57.03432	0.8
58.99587	1.0
67.05183	0.8
67.05515	10.4
68.05054	0.6
69.03404	1.0
69.07079	2.9
69.10209	0.5
70.09725	2.3
71.05012	0.7
74.00681	2.7
75.20158	0.5
76.02223	1.6
79.05501	8.0
80.05006	2.1
81.03441	1.0
81.07066	19.8
83.04959	0.9
83.06119	1.8
83.08612	2.3
84.04052	0.6
84.04514	5.9
85.01133	1.4
85.06530	0.7
86.00667	1.1
88.02226	0.6
91.05492	6.6
93.07056	7.0
94.06573	0.8
95.04966	2.9
95.08618	10.4
97.01110	1.6
97.06549	1.2
97.10158	0.6
98.21526	0.5
99.01430	3.0
99.02685	0.7
100.02200	6.2
105.07049	6.4
106.06563	0.9
107.04937	2.0
107.06091	0.5
107.08611	4.6
108.08129	1.3
109.06515	4.1
109.10171	3.1
111.02674	1.2
111.08077	1.1
111.84692	0.4
112.02190	8.5
113.00590	0.8
113.02966	1.5
113.04218	0.7
114.03770	7.9
116.01692	1.5
117.07004	2.0
119.08587	4.7
120.08122	1.4
121.06519	4.3
121.10164	3.7
123.02667	0.6
123.08108	1.4
123.11749	0.7
124.88962	0.5
125.04195	0.7
126.03758	4.0
129.06706	1.7
130.05022	1.3
131.08565	2.8
133.06378	0.6
133.10146	3.4
134.09692	0.6
135.00095	0.5
135.05518	0.6
135.08044	1.4
135.11682	1.4
137.04202	0.6
137.09630	0.7
138.03787	2.8
139.05769	1.1
140.05304	6.9
141.07182	0.6
143.08582	1.5
145.06200	1.4
145.10179	2.1
147.08099	0.6
147.11693	4.1
148.11214	0.6
149.13272	1.8
150.60017	0.5
151.07504	0.6
152.05287	2.1
153.01941	0.7
153.06667	0.5
154.06853	1.7
157.10121	0.7
159.11707	1.5
162.02142	1.3
163.11192	1.7
163.14853	0.7
165.07365	0.5
166.06888	1.8
168.08440	16.0
169.10178	0.5
173.13303	1.8
179.05043	0.6
181.06076	1.1
185.03792	2.0
187.05379	0.7
191.09171	0.5
191.14249	1.1
193.06232	0.6
202.04135	1.7
204.08701	0.8
207.13779	0.6
208.13333	0.6
209.15382	2.3
216.05780	1.8
219.75874	0.6
231.04384	3.5
233.05936	1.0
236.14731	1.4
236.16885	0.7
241.06435	0.9
247.20537	0.7
255.08032	2.1
257.19131	0.7
264.14227	6.4
269.09598	1.6
270.10349	5.5
271.11057	1.3
275.20123	7.1
281.14471	1.9
282.15240	31.1
283.15567	0.8
289.31525	0.6
293.21124	1.0
307.17413	0.7
308.09146	0.9
313.56290	0.6
323.16125	0.7
333.18903	3.0
339.17407	0.6
350.21570	10.0
351.19946	1.7
368.22568	11.4
369.22543	0.5
384.17194	15.2
385.18152	3.2
453.24225	100.0
454.24451	2.5
466.49246	0.6
525.26422	6.2
556.36230	1.7
582.28485	1.4
600.29388	3.4
600.37305	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	600.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.3
55.05505	3.9
57.98793	1.4
58.99588	15.9
67.05511	8.2
69.07066	6.6
70.06596	1.8
71.50535	1.2
71.50975	1.5
73.02908	1.7
76.02235	69.3
76.04006	3.6
78.03806	1.1
79.05503	6.4
81.03419	2.5
81.07057	14.2
83.04973	2.8
83.06120	2.0
83.08629	2.3
84.04506	12.6
85.02890	1.5
85.06528	1.5
86.99049	3.3
88.02205	2.0
91.05485	8.4
93.07063	9.8
95.04951	3.0
95.08617	7.8
97.06549	1.3
97.10137	1.6
99.05625	1.4
105.07037	11.0
105.72061	1.2
107.04948	3.2
107.08604	5.9
109.06497	4.3
109.10137	3.6
111.08094	2.0
111.99876	1.4
116.01694	20.3
117.07013	2.5
119.08596	7.7
121.06511	6.9
121.10151	3.8
123.08081	1.6
129.06586	2.1
130.05031	7.1
131.08609	6.1
133.06435	1.4
133.10175	6.1
135.08040	1.7
135.11687	1.6
139.03954	2.0
142.03264	7.6
143.08585	1.9
144.01172	12.3
145.10109	5.7
147.11703	4.4
149.09610	2.2
149.13269	1.7
151.03886	1.7
151.11159	2.3
153.01819	4.4
157.10165	1.7
159.11684	2.1
161.13281	2.5
162.02206	39.4
163.11272	2.7
170.02731	2.9
173.13196	1.8
179.04868	100.0
187.05336	3.0
187.11171	1.4
207.13771	3.7
219.13786	1.4
233.05899	13.7
245.05965	3.6
247.20729	1.7
257.19028	3.0
273.18668	2.7
275.20090	32.1
290.16284	1.2
291.06592	2.3
291.19611	2.5
293.21149	23.0
308.09125	28.5
350.21182	1.5
368.22501	8.7
412.41470	1.2
453.24152	4.8
525.26196	4.6
532.47913	1.2
582.27936	1.4
600.29297	7.5
600.39221	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	600.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.03943	0.6
57.25793	0.2
59.04993	0.3
70.06604	0.4
71.50674	0.2
73.06548	0.7
77.03861	0.3
79.01857	0.3
91.05475	2.7
93.07042	3.5
95.04962	0.6
97.02873	0.2
97.92157	0.2
98.56252	0.2
102.74707	0.2
103.05481	2.2
121.06507	100.0
122.06835	0.7
125.02392	0.3
130.95349	0.2
143.03397	0.4
147.04355	0.3
149.11734	0.6
153.01831	15.4
153.02783	0.6
159.08058	0.3
165.05515	1.2
177.05356	0.3
228.92999	0.2
249.11215	2.2
273.05243	0.2
273.07578	9.0
290.10229	29.3
291.10590	0.4
308.11197	1.3
406.01764	0.2
431.67044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	0.8
69.03417	0.8
70.06583	0.9
70.67338	1.7
79.05471	0.6
85.02894	2.3
87.04456	0.5
91.05486	1.2
97.02892	1.3
105.07005	1.1
106.33042	0.7
111.81798	0.6
115.05445	1.0
116.06246	0.6
117.06992	1.4
121.06479	0.8
127.03978	0.9
128.06233	1.4
129.06990	4.0
131.08562	6.5
133.06461	0.8
137.05966	0.6
139.03952	0.7
141.06918	1.5
143.08517	0.7
144.05716	2.1
145.06456	1.1
146.07301	0.7
147.04391	0.9
151.03928	0.6
153.01819	2.1
153.06964	1.7
157.06477	2.4
158.76228	0.6
159.08058	11.2
159.98299	0.6
160.08670	0.5
161.05972	0.8
161.09636	3.3
164.07159	0.8
167.07024	0.7
169.07707	0.8
170.07286	2.0
171.08014	1.9
172.05164	0.8
173.05995	1.8
174.06767	0.9
175.07558	1.0
177.05476	0.7
177.07898	1.2
187.07545	7.6
189.09135	4.1
199.07568	1.2
203.07188	1.0
204.07867	4.7
206.09297	0.9
216.07880	1.3
219.10149	2.2
221.11658	1.3
231.10123	3.6
234.08765	0.6
249.11230	100.0
250.11557	0.9
267.12231	3.3
302.17355	1.3
320.18704	1.2
394.22186	5.7
413.14258	0.7
420.12067	0.6
420.23557	1.4
438.24594	0.9
556.27496	1.7
582.28729	0.9
600.29822	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	599.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92701	1.0
53.03933	3.9
55.01859	1.2
55.05277	1.4
55.05518	23.5
57.03442	6.2
57.07068	4.6
59.04984	1.7
65.03932	2.6
67.05511	66.4
69.07077	25.5
71.04983	2.1
71.08630	1.9
79.05501	39.4
81.07063	77.1
83.04977	2.1
83.08631	13.4
85.06515	1.8
89.06032	1.0
91.05489	31.7
93.07050	43.0
95.04980	3.0
95.08614	59.8
97.06573	5.0
97.10188	5.8
97.54137	1.1
98.21568	1.7
105.04588	1.2
105.07041	33.2
107.08597	28.4
107.83401	1.0
109.06502	2.3
109.10165	28.8
111.08057	3.1
117.07026	12.3
119.08596	29.3
121.10148	23.9
123.08041	1.9
123.11710	11.3
125.09635	2.1
128.06210	1.3
129.06998	4.7
131.08583	19.7
133.10138	26.1
135.11708	19.4
137.13242	3.8
143.08600	7.6
145.10135	25.1
147.11703	18.8
149.09506	1.7
149.13264	9.2
151.07466	1.1
151.11206	1.3
151.14795	2.4
155.08565	2.6
157.10139	7.1
159.11707	16.9
161.13290	13.0
162.30727	1.1
163.11125	1.7
163.14813	4.8
165.12936	1.1
169.10101	2.6
171.11681	6.6
173.13280	12.4
175.14848	6.9
177.12802	1.2
177.16388	2.2
181.10114	1.5
183.11722	3.0
185.13303	6.1
187.14799	5.7
189.16338	3.6
197.13277	3.3
199.14835	5.0
201.16341	3.3
203.17955	1.8
211.14796	1.6
213.16548	2.0
215.18033	2.6
217.15790	1.2
217.19475	1.8
219.17464	1.4
221.13374	1.2
223.14534	1.2
225.16394	1.8
227.17995	2.0
229.19490	2.1
233.18962	1.5
235.17053	1.1
241.19592	1.7
243.21057	1.7
245.19028	2.9
245.22659	1.3
247.20557	3.7
249.21976	1.1
259.20615	5.0
261.22266	6.6
263.23694	3.7
267.20987	1.3
273.22339	1.2
275.20029	1.2
277.21765	1.1
287.23648	1.6
293.21075	1.5
295.22946	1.8
299.23700	1.5
301.25476	1.7
303.23245	1.7
313.25229	1.7
317.24765	2.5
321.24213	8.7
323.25876	4.1
327.26950	2.0
333.24237	2.8
335.25739	9.7
337.27359	5.1
347.25821	1.4
503.37064	1.9
507.42096	8.6
525.42883	3.2
529.38373	1.8
563.44727	1.4
581.45819	15.6
599.46625	100.0
600.46881	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
53.52343	1.0
54.20489	1.1
55.01876	1.6
55.05280	1.8
55.05517	27.6
57.03449	6.0
57.07067	5.8
65.03934	4.3
67.05511	70.3
69.07072	26.5
69.64680	4.7
69.65101	3.0
71.05000	3.0
71.08608	2.5
71.55163	1.2
73.32534	1.2
79.05499	46.7
81.07062	86.7
83.04991	1.7
83.08218	1.3
83.08632	14.1
85.06529	2.7
91.05486	33.6
93.06496	3.0
93.07052	48.8
95.04948	4.4
95.08614	75.4
97.06514	5.0
97.10176	7.7
99.08083	2.0
105.07039	38.5
107.08603	31.6
109.06498	1.8
109.09475	2.1
109.10165	32.0
111.11767	1.6
117.07035	13.1
119.08587	32.0
121.09340	1.9
121.10152	28.6
123.11707	9.8
125.09589	3.9
128.06172	1.9
129.07040	6.9
131.08565	25.1
133.10141	26.5
135.08200	1.3
135.11694	20.5
137.09605	1.5
137.13248	4.1
141.07022	2.1
142.07765	1.7
143.08588	8.6
145.10139	27.0
147.11694	23.3
149.13268	9.9
151.14870	2.2
155.08568	3.6
156.09259	1.6
157.08846	1.5
157.10085	9.0
159.11713	23.0
160.28209	1.3
161.13272	11.2
163.14832	4.3
165.16504	1.7
168.09334	1.3
169.10034	2.0
171.11670	9.5
173.13287	14.8
175.14856	7.7
177.16411	1.9
183.11652	2.2
185.13284	7.7
187.14818	8.9
189.16365	3.3
197.13295	3.3
199.14864	4.4
201.16351	3.7
203.14395	1.3
203.17955	2.6
211.14798	2.8
213.16417	3.8
215.17970	2.4
225.16422	1.7
227.17981	3.6
231.20984	1.6
241.19586	2.8
245.18993	3.0
247.20569	5.3
259.20566	5.5
261.22241	8.1
263.23697	2.1
279.19443	1.7
287.23621	2.6
295.22470	1.8
299.23862	1.4
301.21317	1.4
303.22787	1.4
313.25180	2.9
317.24503	1.4
319.22595	2.5
321.24283	9.5
323.25821	4.4
333.24271	3.1
335.25937	9.6
337.27298	3.9
339.26440	1.4
347.25882	1.6
387.25073	1.4
403.55917	1.4
475.34186	2.0
507.41766	4.8
517.38031	1.4
525.42963	3.0
543.40833	1.8
581.45752	11.7
599.46552	100.0
600.46729	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	599.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.8
55.01877	25.6
55.05514	62.8
57.07071	7.4
65.03960	7.6
67.05180	7.5
67.05509	91.9
69.03428	6.8
69.07074	60.9
71.04990	9.6
71.08641	4.3
71.51384	4.2
79.05064	7.4
79.05493	73.7
81.03425	7.9
81.07065	100.0
83.04973	18.4
83.08626	39.8
85.06557	5.9
85.10170	4.3
89.06020	6.1
91.05486	61.8
93.07047	78.7
95.04977	18.9
95.08056	7.2
95.08611	87.9
97.06520	36.9
97.10169	22.9
98.21275	4.7
99.08067	6.1
105.07030	76.5
107.04961	4.6
107.08604	58.8
109.06507	4.7
109.10174	48.9
111.08089	7.4
117.07031	37.6
119.08591	74.3
121.06490	9.7
121.10159	47.8
123.08041	13.6
123.11692	15.9
125.09679	30.1
128.06229	12.6
129.07047	27.2
131.08566	67.7
133.06421	4.3
133.10136	57.7
135.08051	12.9
135.11719	27.1
137.09625	11.5
139.11177	11.2
141.06979	8.7
142.07751	8.8
143.08534	46.4
145.10126	67.2
147.08058	8.6
147.11668	33.9
149.09613	8.8
149.13283	10.3
151.07471	4.5
151.11183	4.1
154.00128	4.4
155.08575	23.6
155.10693	5.6
156.09357	6.6
157.10144	41.2
159.08080	7.6
159.11679	50.1
161.09666	5.1
161.13261	18.2
163.11133	6.7
165.09117	7.5
167.08595	5.9
167.10690	13.8
169.10155	28.3
170.10863	4.8
171.11661	32.0
173.13266	38.5
175.14772	9.0
181.10109	17.9
181.12256	11.4
182.10939	6.9
183.11725	31.0
183.53825	4.5
185.13264	26.7
187.11142	4.5
187.14803	15.0
189.12682	9.3
189.16389	5.2
193.10118	8.3
194.10825	4.5
195.11673	18.6
197.13293	23.4
199.14912	20.8
201.16292	5.9
203.12723	7.4
203.14407	4.7
206.11032	4.4
207.11731	9.1
208.12439	5.3
209.13301	13.8
211.14847	11.1
213.16382	10.1
215.18007	7.2
221.13312	9.5
221.15367	17.0
223.14835	10.4
225.16475	5.2
233.15318	14.2
235.14697	5.0
237.16359	5.7
239.17912	7.3
245.19154	4.3
257.19012	5.8
273.18582	5.7
275.20099	6.9
285.18610	5.1
287.19998	6.1
291.23282	6.9
301.21585	4.5
303.23309	6.7
307.27094	4.3
311.23636	4.5
337.25342	4.7
341.24564	8.8
355.26443	6.2
397.30774	4.2
399.32629	19.2
405.31445	7.8
423.32626	14.9
437.34122	5.8
455.35068	11.3
487.37872	71.6
507.93982	4.6
517.39850	8.6
535.41333	12.0
549.42920	11.2
567.44238	37.2
581.46179	37.2
599.38245	21.1
599.46759	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	599.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.05513	4.5
57.03412	0.8
57.07080	6.1
59.04972	2.3
60.06541	0.7
65.03918	1.1
67.05507	9.9
69.03429	8.2
69.07066	4.4
70.67130	0.8
70.67448	1.8
77.03889	0.8
77.67968	0.7
79.05492	9.5
81.03384	1.0
81.06592	1.1
81.07053	14.9
83.04975	3.5
83.08591	2.0
85.06552	4.0
91.05476	16.2
91.56824	0.7
93.06503	1.5
93.07043	20.6
95.04964	6.1
95.08598	13.7
97.06497	2.9
103.05442	1.1
105.07033	31.9
107.04936	1.8
107.08596	14.0
109.06557	5.0
109.10175	6.3
111.08057	1.2
112.28319	0.7
115.05413	1.1
116.06224	0.8
117.07007	5.4
119.08581	26.8
121.06508	4.9
121.09359	0.8
121.10149	14.8
122.07240	1.4
123.08066	12.7
123.11713	1.2
125.05949	2.9
128.06213	2.5
129.07007	4.6
130.07730	0.9
131.07603	1.0
131.08557	12.2
133.06451	3.0
133.09251	1.2
133.10143	13.6
135.08052	10.5
135.11681	4.0
137.05972	1.0
137.09612	12.1
139.07542	1.9
141.06949	2.5
142.07809	5.9
143.08557	9.9
144.09308	2.4
145.06396	0.8
145.10124	16.4
145.48895	0.9
147.08049	22.8
147.11684	3.6
149.09546	4.1
151.07541	11.2
153.06960	1.3
154.07835	1.1
155.08549	6.2
156.09328	6.0
157.10123	17.0
158.10915	1.2
159.08008	3.4
159.11702	10.6
160.12433	1.1
161.09654	5.6
161.13268	5.1
163.11182	7.3
165.06963	1.6
165.09117	46.6
167.08554	2.3
167.10693	1.5
168.09320	1.8
169.10138	7.6
170.10857	2.9
171.08067	1.0
171.11707	9.8
173.09618	3.6
173.13237	3.1
175.11182	2.5
175.14832	1.8
177.09102	2.0
177.12740	1.7
179.08543	2.2
180.09410	1.5
181.10242	3.8
181.12245	7.9
182.10918	2.7
183.11711	10.2
184.12402	0.9
185.09621	1.5
185.13307	8.4
187.11179	3.6
187.14726	1.2
189.12714	4.5
191.10663	3.3
192.09348	1.3
192.11356	1.0
193.10141	2.0
194.10858	1.8
195.11749	5.4
195.13351	1.3
196.12466	1.8
197.13196	4.5
199.11214	2.7
199.14758	1.4
200.12029	1.0
201.12796	1.7
203.14319	17.7
206.10878	1.6
207.11679	3.5
207.13766	4.8
208.12523	0.9
209.13252	5.8
209.15135	1.5
211.11134	1.3
211.14821	5.1
213.12743	2.2
215.14331	1.0
219.11732	1.0
220.12708	0.8
221.13464	4.2
221.15364	100.0
222.15744	1.2
223.11296	1.5
223.14777	1.9
225.12738	1.4
225.16394	1.4
229.15897	1.9
231.13853	1.1
233.13306	1.2
233.15399	3.0
235.14787	1.8
237.12718	1.6
237.16434	1.6
239.14473	0.9
241.15781	1.0
243.13768	0.9
247.14607	1.8
247.16965	17.7
249.16284	1.4
263.17966	0.9
265.19562	0.9
266.12753	1.0
269.19070	0.8
271.16989	1.2
274.19293	1.0
281.18994	1.7
285.18579	1.3
286.19440	1.3
287.20142	7.1
299.20068	4.9
301.21631	1.4
311.20053	1.9
313.21558	2.1
325.21585	1.5
327.23199	2.3
365.24713	4.5
391.26328	7.2
413.26770	1.3
419.29459	3.4
427.28442	6.4
431.77200	0.8
453.29877	1.7
507.34616	6.4
519.34863	3.2
551.67090	0.8
581.39514	2.6
599.40973	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01865	2.0
55.05523	11.4
57.07071	7.4
58.08385	1.7
63.67312	1.7
65.03934	3.2
67.05512	20.5
69.03436	12.9
69.07072	10.5
77.03905	2.8
79.05503	22.1
81.01576	1.8
81.07067	27.0
83.04991	12.6
83.08628	5.2
84.64188	1.6
85.06561	10.3
85.28515	1.6
91.05491	32.5
93.07049	35.8
95.04977	14.2
95.08617	20.8
97.06541	7.8
99.24107	2.1
103.05472	2.4
105.07037	45.6
105.07693	3.2
107.04958	2.5
107.08600	31.7
109.06522	13.9
109.10186	13.2
111.04482	2.7
111.08105	3.8
115.05472	6.6
116.06284	2.2
117.07022	13.3
119.08590	44.7
121.06512	14.3
121.10159	32.2
123.08052	15.7
123.11723	3.2
124.88437	2.0
125.05998	3.8
125.09636	7.9
128.06242	8.1
129.07013	13.6
130.07817	3.0
131.08603	23.6
133.06528	4.1
133.10135	23.3
135.08066	15.7
135.11722	8.3
135.78714	1.9
137.05975	2.2
137.09630	12.1
139.07515	3.2
139.11185	3.0
141.07018	7.1
142.07768	12.5
143.08556	27.6
144.09370	7.0
145.10129	34.7
145.15486	2.1
147.08040	17.4
147.11707	7.9
149.09616	15.6
151.07539	14.7
153.07033	2.4
153.09077	2.2
154.07808	2.9
155.08591	12.2
156.09351	10.1
157.10141	30.0
157.11337	2.8
158.10927	3.8
159.08064	11.5
159.11685	20.0
160.08855	2.5
161.09647	11.0
161.13313	6.6
163.11224	7.6
165.07027	3.5
165.09126	19.9
166.07840	2.6
167.08556	5.5
167.10687	17.4
168.09390	6.8
169.10132	18.6
170.10950	5.4
171.08102	2.2
171.11691	20.1
173.09662	7.7
173.13306	7.2
174.10359	2.2
175.11227	7.4
175.14870	3.7
177.09108	3.0
179.08612	7.5
180.09383	5.2
181.10172	9.8
181.12262	2.8
182.10980	5.3
183.11685	14.9
185.09698	2.4
185.13239	9.1
187.11266	6.3
187.14825	3.2
189.12730	8.5
191.14389	4.2
192.09360	2.4
193.10162	9.1
194.10938	4.3
195.11726	13.0
196.12447	3.5
197.13283	13.7
197.51161	1.8
199.11224	5.8
199.14896	4.5
201.12828	3.4
203.14279	10.8
205.10274	2.4
206.10947	4.8
207.11736	9.2
207.13869	12.0
208.12497	2.1
209.09802	2.1
209.13289	13.8
209.15385	5.7
210.13991	2.7
211.11253	5.1
211.14938	5.5
213.12793	3.6
213.16414	4.5
215.14374	2.9
217.10176	2.3
219.11778	5.0
220.12616	2.5
221.13268	8.9
221.15320	47.2
223.14848	9.2
225.12828	5.4
225.16316	2.0
227.14497	2.6
229.12120	2.7
231.11658	3.5
232.12584	2.8
233.13277	5.8
233.15378	34.0
235.14877	7.7
237.12726	3.1
237.14777	3.8
239.14240	3.4
241.15952	2.4
245.13292	3.2
246.14244	2.8
247.14856	5.3
247.17093	2.3
249.16376	2.7
255.17407	2.3
259.14835	5.3
259.17200	2.4
261.16360	3.0
263.14517	2.1
263.17999	2.8
265.15848	2.5
265.19504	2.8
267.17477	2.0
269.19162	2.6
273.16269	2.7
281.19055	8.5
285.18726	3.5
287.20377	3.2
289.19656	2.6
295.20432	2.9
299.20154	4.0
311.20337	2.0
321.18454	1.9
364.24146	4.2
365.24890	4.2
369.46091	1.8
373.25385	3.4
377.24500	2.0
391.26459	4.9
395.20651	2.4
415.28421	2.7
441.29587	3.2
489.33670	3.8
493.33005	2.6
507.34756	81.9
563.38916	2.4
567.57440	2.0
581.39771	6.7
599.41003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2502
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
51.28442	1.1
55.05514	3.5
57.07071	2.6
59.05003	2.6
67.05521	5.7
69.07066	4.0
70.75877	3.3
71.08629	2.2
79.05492	5.1
81.07056	7.7
83.04993	1.8
85.10184	1.2
89.06033	3.0
91.05486	6.7
93.07059	7.5
95.04983	2.5
95.08620	6.3
97.06538	1.2
105.07056	7.1
105.44897	1.2
107.08601	5.8
108.87676	1.4
109.10174	3.0
117.07012	2.1
119.08588	7.3
121.10168	4.4
123.08048	1.5
125.05978	1.3
129.07018	1.3
131.08574	2.8
133.08624	2.5
133.10071	3.2
135.11696	2.3
143.08574	2.3
145.10138	3.4
147.08127	2.9
147.11713	2.0
149.13251	1.6
149.33055	1.3
157.10165	1.9
159.11742	2.8
163.14775	1.3
165.09158	4.3
169.10132	1.7
171.11801	1.5
181.12283	1.6
183.11635	1.8
185.13454	1.2
196.07362	1.2
197.13145	1.6
203.14354	1.8
203.84564	1.2
221.15381	8.3
223.12521	1.5
225.16385	1.2
235.12447	1.8
237.13867	2.2
238.14619	1.7
247.17126	2.3
249.13873	2.6
251.11826	1.3
254.28406	1.2
262.14346	1.6
274.74881	1.2
279.14853	2.3
314.16699	2.2
325.14954	1.8
339.16061	4.6
340.17694	2.6
342.16235	1.5
351.16214	1.7
352.18082	1.9
353.17752	5.4
354.18515	4.9
358.19339	3.2
363.16098	1.7
364.16876	2.1
365.17798	2.0
366.18884	1.8
367.15338	1.7
367.19363	1.9
368.20200	2.5
369.20682	18.7
375.16422	1.5
377.17776	1.5
379.19287	10.1
380.20157	2.8
381.16830	1.8
381.21082	3.2
382.18265	2.1
391.26474	1.6
395.18240	2.9
397.20145	8.3
398.20776	1.4
399.16855	1.5
407.18561	2.5
408.19318	1.8
409.20459	3.0
419.18643	1.8
423.21970	3.3
424.22382	1.9
425.19754	22.8
426.20505	1.4
437.19565	2.2
439.21362	2.2
440.22147	1.5
441.23273	1.7
451.21426	16.0
452.21793	2.5
453.19492	3.7
455.24561	2.7
456.25211	4.8
461.19864	2.5
462.20700	3.9
465.22495	2.2
467.24869	2.9
468.21411	2.3
469.22177	2.1
483.24036	2.1
484.24860	7.0
497.21896	3.0
511.22977	5.8
512.24231	53.9
521.21686	5.7
539.22882	56.7
540.23309	4.2
555.25702	1.6
582.22198	4.4
599.25024	100.0
599.41364	5.1
600.25208	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	599.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01865	1.1
57.03443	0.9
61.02916	0.4
65.32212	0.4
66.17670	0.4
69.03425	0.6
71.04997	0.5
71.51166	0.5
73.02907	0.6
79.05503	1.3
81.03422	0.7
85.02917	2.1
95.04958	1.3
97.02891	1.2
98.19589	0.4
99.04472	0.5
105.07037	0.5
107.04963	100.0
108.05264	0.7
109.02845	0.8
109.55923	0.4
121.02879	1.5
121.06550	0.4
123.04417	1.1
123.08091	0.4
131.04956	1.7
131.08582	0.4
135.04457	0.5
137.05984	0.5
139.03934	0.7
145.06512	0.7
146.10707	0.4
147.04439	1.2
149.05969	1.0
151.03949	1.3
153.01900	0.6
161.05995	0.4
163.03935	2.1
173.06013	1.2
175.03926	2.9
177.05444	0.7
181.05016	2.0
181.06439	0.6
185.06053	0.7
187.03932	1.5
189.05490	1.4
191.03387	0.8
193.05031	3.4
197.05875	0.6
201.05472	1.1
203.03412	0.8
205.04971	4.6
207.06604	0.6
213.05424	1.7
215.07118	0.7
217.05016	5.6
219.03017	0.5
219.06528	1.9
221.04396	0.8
223.06021	1.8
225.05569	1.1
227.06932	0.5
229.04987	2.3
231.06566	1.9
233.04463	0.9
235.05995	3.8
241.05035	1.7
243.06586	1.5
245.04385	0.5
245.08153	0.6
247.06068	4.5
253.04921	0.6
255.06541	0.6
257.08044	0.6
259.06100	8.2
267.06702	0.7
271.06027	3.1
273.07568	1.2
277.07135	1.5
279.06638	0.6
281.08246	0.5
283.06064	2.0
285.07611	1.4
287.05884	0.6
287.09073	0.9
289.07138	2.3
297.07611	0.9
299.09183	1.5
301.07062	3.6
311.09018	2.0
313.07153	2.3
317.10367	0.8
317.32813	0.5
319.08310	0.5
323.09021	1.0
325.07117	2.7
327.08774	0.9
329.10300	3.4
337.07162	0.5
341.10257	3.4
343.08133	1.6
353.10260	6.0
355.08157	0.8
361.09369	0.4
365.10309	3.9
377.10208	1.7
383.11316	7.2
389.10199	1.3
395.11276	7.7
401.12128	0.7
407.11301	6.8
413.12570	2.8
419.11197	6.5
425.12402	3.1
429.12024	0.6
431.13422	8.4
443.13535	2.4
449.12347	5.5
461.12756	3.3
467.13654	2.9
473.12366	0.8
479.13388	3.5
485.14178	2.0
491.13391	1.6
497.14517	5.2
509.14450	2.1
524.11121	0.5
527.15466	2.1
545.17206	0.7
626.50299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.2
57.03446	4.3
57.07079	100.0
59.05008	43.5
67.05510	7.8
69.07072	2.9
71.08635	70.9
71.51852	1.9
79.05505	3.5
81.07053	7.6
83.08624	5.3
85.10190	62.0
87.04472	2.3
89.06041	27.1
91.05467	5.4
93.07047	5.7
95.08633	4.6
97.10177	3.3
99.11752	11.2
101.09695	2.8
105.07065	3.6
109.10204	2.8
113.13273	3.8
117.09131	17.1
119.08540	3.3
133.08614	9.6
140.13925	2.4
145.10153	3.8
155.17931	11.6
167.63902	2.2
177.11264	5.4
195.12296	4.6
213.22128	15.5
271.26251	20.6
319.71530	2.1
328.87381	2.3
413.72833	2.4
505.15109	2.2
598.47852	4.0
598.61664	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	597.182
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
69.55167	20.0
69.55593	40.9
75.74625	9.0
79.44614	9.3
85.02897	20.2
93.03394	16.4
97.02908	10.1
98.21480	20.2
107.04980	17.3
109.02895	10.0
111.19331	8.7
121.02892	21.7
121.06473	11.5
123.04416	9.6
130.16435	8.8
135.04405	18.8
139.03914	11.9
147.04454	20.1
153.01772	11.1
161.05975	9.9
163.03976	11.5
165.01814	20.0
173.02245	12.5
173.06030	16.6
177.01826	25.7
177.05544	11.4
187.03915	10.3
189.01892	30.8
191.03397	16.5
195.02919	34.8
201.05353	9.2
202.19641	8.9
207.02882	44.7
215.03423	15.4
217.04918	13.2
219.02890	77.0
223.02397	13.5
229.05040	13.5
231.02858	56.8
233.04372	20.4
237.04025	13.7
243.02937	29.0
243.06647	16.0
249.03886	15.8
255.02776	11.6
257.04465	20.2
261.04031	100.0
273.03986	43.1
285.04086	42.6
291.04965	21.0
297.04114	15.0
297.07370	10.5
299.05292	10.3
303.05048	28.1
315.04990	11.6
321.06168	20.7
327.04990	42.1
327.08563	19.6
339.07938	34.2
345.05917	10.6
351.08469	23.1
357.05972	12.2
363.07538	24.5
381.09592	28.8
393.09280	31.5
405.08585	34.7
411.10468	12.8
429.11597	28.1
441.10895	40.4
447.10638	19.0
459.12683	28.7
525.13892	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	597.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.9
53.03939	3.6
55.01869	1.4
55.05267	1.3
55.05513	18.6
57.03437	6.1
57.07069	3.5
65.03936	2.9
67.05506	49.3
69.07071	15.5
71.04986	2.6
71.08641	1.1
71.22963	1.7
73.45131	0.9
79.05496	39.9
81.03391	0.9
81.07056	55.1
82.07394	0.9
83.04960	2.2
83.08623	11.4
85.06536	2.1
91.05484	38.0
93.07048	41.5
95.04977	4.1
95.08610	40.4
97.06528	3.6
97.10155	4.6
99.08090	1.4
105.04552	1.1
105.07031	38.1
107.08595	27.4
109.06519	2.7
109.10166	14.2
111.08104	2.3
113.58204	0.9
115.05441	2.1
117.07011	14.5
119.08589	33.0
121.06506	1.5
121.10146	21.2
123.08071	0.9
123.11737	4.7
125.09660	1.7
128.06235	3.1
129.07005	10.9
130.07780	2.2
131.08560	25.7
133.06546	1.0
133.09131	1.5
133.10135	26.9
135.08150	1.2
135.11685	13.1
137.09657	1.0
137.13284	2.0
141.07019	2.4
142.07825	2.0
143.08557	18.7
144.09309	1.2
145.10132	28.8
147.11684	20.3
149.13254	6.6
155.08554	5.7
156.09286	1.4
157.10149	15.7
159.11693	21.0
161.13260	12.2
163.11185	2.1
163.14850	3.5
167.08635	1.4
169.10127	10.2
171.11697	15.8
173.13258	14.3
175.11220	1.0
175.14876	5.5
177.16563	1.2
179.08621	0.9
181.10143	3.0
183.11676	8.7
185.13243	11.4
187.11145	0.9
187.14801	7.0
189.12624	1.1
189.16388	2.0
195.11736	2.5
197.13292	5.2
199.14810	8.5
201.16414	3.6
203.14383	1.2
209.13263	2.4
211.14853	5.1
213.16464	4.2
215.18008	2.8
217.15962	1.0
217.19611	1.1
223.14862	2.1
225.16348	2.4
227.18051	4.8
229.19507	1.4
231.21135	2.3
238.10838	0.8
239.18066	2.5
241.19632	7.0
243.21140	1.9
245.19078	4.4
247.20627	2.5
253.19624	1.6
257.19003	3.1
259.20599	15.1
261.22235	2.1
273.22293	1.0
275.20047	1.3
277.21753	1.3
285.22067	1.8
296.52225	1.0
297.21976	1.0
311.23715	1.2
315.23264	1.3
319.22720	1.7
321.24240	15.2
325.25211	1.4
329.24518	1.1
333.24261	8.3
335.25748	6.0
351.11169	1.0
353.28275	1.2
367.30142	1.3
421.29944	1.0
449.33435	1.2
463.35129	0.9
484.96362	1.3
487.39798	1.5
501.36227	1.0
503.37500	1.4
505.40390	7.0
507.36554	2.0
523.41302	5.2
541.38751	1.2
579.44177	7.7
597.45111	100.0
598.45380	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	597.1453
Annotation	Myricetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
55.01876	2.0
57.03437	16.8
60.04517	4.4
61.02927	4.1
69.03432	25.9
70.63804	5.4
71.04996	11.6
71.46393	1.5
71.61377	1.9
72.34748	1.8
73.02927	32.7
83.04996	8.9
85.02916	28.9
97.02902	21.7
109.02889	2.8
111.00777	3.0
111.04436	9.6
115.03941	12.3
115.78732	2.0
124.34792	2.0
129.05473	8.0
129.45901	1.9
137.02370	3.1
139.03885	3.0
143.03456	2.9
147.06598	2.7
153.01836	23.7
163.03926	2.4
165.01822	4.7
177.01811	2.3
179.03481	2.4
195.02823	2.7
203.03448	3.2
217.04893	2.1
219.02881	2.2
225.07440	2.5
241.05055	2.8
245.04448	4.5
259.05682	1.9
269.00977	2.0
272.82849	1.9
273.03961	3.1
287.05457	3.8
315.04913	6.5
316.87781	2.0
318.03720	3.1
319.04507	75.2
321.02679	2.1
329.02945	3.4
329.06528	3.0
331.04498	45.0
332.05124	2.3
343.04443	16.7
357.06009	7.7
361.05524	100.0
383.07489	7.1
385.05594	22.8
387.07175	2.6
411.07159	16.4
429.08197	42.3
447.09262	23.5
465.10388	37.7
597.14514	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	596.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.05512	18.0
57.03424	6.3
57.07063	9.1
59.04995	2.4
67.05506	70.2
69.07074	13.4
69.60191	2.2
71.04999	20.3
71.08633	4.3
71.52003	3.1
79.05495	48.7
80.44097	2.4
81.07059	100.0
83.08611	10.1
85.06540	6.5
85.10190	5.5
86.93439	2.4
91.05482	36.0
91.64303	2.4
93.07044	46.0
95.04989	3.6
95.08602	34.0
97.06519	5.5
97.10161	4.1
105.07018	13.1
107.08604	23.1
108.40340	2.8
109.10160	12.8
117.07025	10.2
119.08560	11.6
121.10143	13.3
123.11715	11.6
131.08575	13.6
133.10141	17.4
135.11696	9.0
145.10155	13.8
146.10437	5.0
147.11757	5.1
149.13251	5.5
151.11159	7.8
157.10135	3.4
159.11682	6.1
175.14804	3.3
177.12793	3.6
187.13405	3.6
253.44498	2.7
269.17419	4.5
301.20157	16.3
311.29446	4.0
335.25864	26.5
503.37317	85.2
517.39221	3.7
529.38623	4.1
561.41425	38.9
596.47424	24.1
596.59259	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.6
55.05503	11.2
57.03435	6.0
67.05513	38.0
69.07074	8.9
71.51104	3.2
77.16611	3.1
79.05497	26.8
81.03424	12.9
81.07056	36.9
83.04998	4.7
83.08617	3.5
91.05477	15.2
93.07059	28.1
93.32293	2.7
95.04960	3.1
95.08618	25.4
98.98476	27.4
105.07043	12.0
107.08576	17.9
107.59679	3.3
109.02883	8.4
109.10162	13.8
119.08613	6.7
121.10145	12.9
123.11699	5.7
127.03970	3.3
131.08601	5.6
133.10156	6.6
135.11664	4.9
139.03885	8.7
145.10100	9.0
149.09633	3.7
153.01878	14.7
157.10252	3.0
173.13277	3.7
261.03793	7.3
261.22247	4.3
274.02908	3.4
282.15079	3.0
335.07230	3.7
335.25845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.6
55.01882	2.2
55.05521	9.4
55.68551	1.2
57.03450	7.7
61.90053	1.1
67.05512	35.9
69.03452	1.3
69.07076	8.8
79.05502	18.3
81.03419	11.5
81.07061	29.1
83.08611	3.7
85.02901	2.3
86.17943	1.3
91.05472	10.8
93.07056	22.8
94.02138	1.2
95.04968	1.7
95.08610	22.3
97.06524	1.7
97.10207	1.8
98.98469	26.3
99.04427	1.9
105.07055	9.2
107.08614	11.6
109.02902	11.2
109.10165	9.7
117.06980	1.9
119.08598	6.1
121.10135	9.0
123.11719	2.8
127.03919	3.1
131.08595	3.0
133.10147	4.6
135.11725	5.2
137.09593	1.8
139.03923	2.1
145.10149	2.3
147.11688	2.4
149.09564	1.4
149.13283	2.0
153.01871	2.5
155.01042	2.7
156.70723	1.6
159.11734	3.1
161.13245	1.6
163.05991	2.1
175.14940	1.8
187.14874	2.6
214.98083	1.4
243.21169	2.3
261.03690	10.7
261.22174	5.5
317.24481	1.6
335.07336	3.1
335.25824	100.0
336.26224	3.6
572.76764	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38385	1.4
53.03955	10.5
55.01871	12.9
55.05514	34.3
57.03426	3.1
57.07043	5.2
65.03944	8.6
67.05509	84.5
69.03407	2.9
69.07072	40.7
71.04986	2.6
71.52025	2.6
77.03927	2.1
79.05498	99.7
81.03414	8.8
81.07063	86.9
83.05005	11.5
83.08618	15.2
85.06507	3.7
85.10191	2.0
91.05486	100.0
93.07050	83.3
95.01350	12.2
95.04965	17.2
95.08615	61.3
97.06548	20.4
97.10131	4.9
99.61559	1.5
103.05437	2.9
105.04514	3.8
105.07037	90.6
107.04961	23.3
107.08598	45.4
109.06475	6.2
109.10172	17.1
111.08033	6.0
113.09631	2.3
117.07028	23.2
119.08583	56.7
121.06424	5.1
121.10152	24.1
123.04427	1.6
123.08045	5.3
123.11662	5.3
129.06949	5.1
131.08586	35.2
133.10135	51.6
135.08000	5.4
135.10880	1.7
135.11702	17.2
137.09546	3.3
141.06927	2.6
143.08546	7.6
145.06456	2.4
145.09093	2.2
145.10133	30.4
147.11699	18.2
149.09541	5.1
149.13277	7.6
151.11098	3.0
155.08536	2.0
157.10037	5.6
159.11699	19.1
159.77367	2.2
161.13263	8.7
163.11078	2.0
163.14743	2.4
169.10036	5.0
171.11604	6.2
173.13246	8.5
175.11111	1.8
177.12669	6.0
179.14351	22.5
183.11612	3.2
185.13193	3.3
187.14844	1.9
197.13182	1.9
199.14577	2.4
201.16325	2.4
205.12128	2.0
211.14688	1.9
211.78023	1.7
213.16141	1.7
219.13782	1.9
219.17462	7.5
225.16299	1.7
229.19388	2.1
239.17690	2.3
241.14397	1.7
247.16583	1.7
247.20486	3.1
257.18872	5.3
261.18512	23.6
275.20084	74.3
279.19333	2.2
293.20883	6.0
349.23285	2.9
447.20193	2.0
535.25598	2.4
595.28857	11.1
595.43341	57.4
595.58380	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56278	0.5
68.99782	1.6
70.96765	1.2
76.08635	0.6
89.43893	0.5
95.03935	0.5
111.00808	0.7
115.05461	1.1
117.05743	1.2
117.07035	1.2
118.06547	19.7
121.02888	0.6
123.04433	4.6
127.03927	12.4
130.06523	1.2
130.76196	0.5
132.08102	4.5
135.04407	2.0
137.02313	0.6
139.03915	12.5
142.06531	2.3
143.07310	2.3
144.04475	0.8
144.08092	13.9
146.06015	60.0
147.04446	1.1
147.06287	1.2
149.02310	1.0
149.05957	0.5
151.03860	2.7
153.01819	2.1
159.09210	6.4
160.07616	0.9
163.03897	5.4
167.03374	0.8
167.07050	0.9
167.87253	0.6
170.06035	5.5
171.04268	0.6
175.03900	1.3
177.05470	1.0
179.03392	2.3
181.05017	0.6
187.03928	1.0
188.07077	100.0
189.05464	0.5
189.07420	1.7
191.03436	2.0
193.04924	0.7
201.05460	1.3
203.03401	1.7
205.05014	1.1
205.09737	40.6
211.09750	1.2
213.05351	0.8
229.04950	1.6
231.06448	0.7
233.04529	1.1
245.04469	1.4
247.06055	3.7
257.04431	2.5
259.06064	1.1
263.05350	1.1
271.06094	1.7
275.05463	4.2
283.06036	0.8
287.05475	5.1
289.07153	1.1
299.05606	1.4
301.07111	1.8
305.06192	0.6
307.08112	0.6
317.06528	0.8
407.07687	1.8
409.09036	2.0
425.08636	1.7
427.10172	1.1
443.09653	0.6
451.11005	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95219	0.2
53.03942	0.6
55.01859	0.2
56.51582	0.2
57.03442	2.0
59.06802	0.2
61.02933	0.4
61.98406	0.2
67.82259	0.2
68.99788	0.5
69.03426	1.5
69.83595	1.2
70.06619	0.2
71.01343	0.2
71.04999	10.6
73.02917	0.4
75.04482	0.4
78.68977	0.2
79.01823	0.3
79.05499	0.3
81.03410	1.1
83.04973	0.6
85.02911	14.2
87.04472	0.5
91.03992	0.3
93.07037	0.3
97.02907	1.5
99.00002	0.2
99.04507	0.4
107.04942	0.3
109.02895	1.0
111.00819	0.4
111.04455	0.6
121.02888	1.8
121.06530	0.4
123.04441	0.3
127.03968	1.2
129.05484	2.9
133.02859	0.5
134.06758	0.2
137.02399	0.5
137.05981	0.3
139.03903	0.9
143.03424	0.2
145.04942	0.9
147.04378	0.6
147.06516	1.0
153.01842	9.5
153.02892	0.3
154.02196	1.7
157.06488	0.4
161.06071	0.4
163.03825	0.2
165.01831	1.1
166.13072	0.2
183.02908	0.5
185.06039	0.5
203.07106	0.3
204.47238	0.2
213.05406	1.2
218.71600	0.3
231.06516	0.5
241.05003	0.5
258.05280	1.0
286.04642	0.3
287.05518	100.0
288.05872	1.1
305.03110	0.6
306.03204	0.6
449.10831	0.5
458.04233	0.6
595.12360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1662
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03948	0.4
55.01858	0.4
55.05508	0.4
57.03432	2.0
59.12960	0.3
61.02919	0.5
67.05491	0.4
69.03419	1.4
70.42189	0.9
71.04996	10.0
73.02912	0.4
75.04475	0.4
79.46344	0.3
81.03400	0.8
83.04967	0.5
85.02908	14.9
87.04471	0.5
97.02897	1.3
100.13042	0.3
105.03388	0.5
107.04975	0.4
109.02874	0.8
111.00790	0.8
111.04438	0.7
121.02885	1.7
121.06493	0.5
123.04446	0.4
127.03922	1.3
129.05484	3.7
133.02783	0.4
137.02351	0.6
139.03920	1.0
145.04947	0.7
147.04405	0.4
147.06566	0.7
153.01845	8.4
153.03014	0.7
154.02147	1.9
157.06496	0.4
165.01906	1.4
183.02895	0.7
183.12140	0.3
185.05972	0.4
213.05441	1.1
231.06441	0.4
241.04912	0.8
258.05267	0.9
259.06122	0.3
287.05505	100.0
288.05832	1.2
305.02954	1.1
306.03207	0.8
329.06570	0.4
457.04303	0.4
595.12769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.166
Annotation	Datiscin
Peak:m/z	Relative Intensity
52.41403	0.4
54.37028	0.4
57.03446	3.0
68.99783	1.2
69.03423	0.7
69.21769	4.3
70.06592	0.5
71.01350	0.4
71.04997	15.5
73.92791	0.4
77.80824	0.4
79.01881	0.5
79.81187	0.4
81.03403	0.6
83.04994	0.8
84.08149	0.5
85.02910	17.5
87.04476	0.4
88.03902	0.5
97.02893	0.5
98.20802	0.8
105.07041	1.0
109.02882	0.5
111.00800	1.1
111.04425	0.9
113.72180	0.5
117.07041	0.4
121.02858	2.4
121.06455	0.6
123.04382	0.6
125.02351	0.5
127.03909	0.9
129.05473	4.6
133.02824	0.9
133.10136	0.6
137.02255	0.5
139.03912	7.0
140.04257	0.9
143.03416	0.7
147.04364	0.8
147.06506	0.6
151.03981	0.7
153.01843	12.9
153.02895	0.6
154.02203	1.0
159.08157	0.5
161.09534	0.5
163.03929	1.6
163.11255	0.6
164.04301	0.5
165.01826	0.9
167.03401	0.5
171.04366	0.6
173.05919	0.5
175.42758	0.4
179.03400	1.0
181.05000	1.0
183.02994	0.7
185.06104	0.8
203.03529	1.0
205.04956	0.9
213.05452	1.7
218.07671	0.5
222.78960	0.4
224.06987	1.0
225.07521	0.6
229.04950	0.7
231.06505	0.5
241.05008	0.7
242.07994	0.9
243.08450	0.9
245.04494	0.9
254.08163	1.1
255.08665	0.5
257.04428	1.3
258.05264	1.0
263.05478	1.3
269.04465	0.8
275.05579	1.3
279.06357	0.6
287.05521	100.0
288.05844	1.2
299.05313	2.1
304.58505	0.5
311.05469	0.5
407.09216	0.9
425.08533	2.0
449.10870	13.4
595.12689	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	595.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.01869	2.8
57.37403	1.1
61.08735	1.3
62.27501	1.2
65.03963	2.4
68.99794	9.0
70.09010	2.5
70.09386	5.1
81.03438	2.7
95.04991	2.4
107.04985	1.5
109.02899	4.2
111.00827	6.0
111.04440	2.6
113.27144	1.1
118.06519	6.0
119.04959	4.0
121.02895	3.0
123.04438	44.2
127.03926	99.6
133.02893	2.0
135.04431	4.7
139.03917	100.0
144.08098	2.7
146.06018	20.3
146.07114	1.7
147.04436	13.9
149.02377	4.1
151.03917	33.2
153.01823	3.6
155.03424	2.8
157.06473	2.5
159.04485	2.0
159.09161	1.8
161.05991	4.2
163.03880	11.0
165.05458	8.7
166.05931	1.1
167.03424	9.7
170.06085	1.2
171.04431	1.9
174.35066	1.2
175.03929	16.3
177.05501	5.3
179.03416	33.2
181.04948	2.5
183.04509	2.3
185.06042	3.4
187.03897	2.9
188.07074	33.1
189.05492	4.5
191.03398	19.8
193.05005	5.4
199.03923	2.5
201.05466	6.3
203.03418	23.6
205.04988	4.3
205.09731	11.6
207.06601	1.8
211.03886	1.6
213.05521	6.1
215.03476	1.8
215.06989	1.2
217.04958	5.8
223.02373	1.7
226.98657	1.6
229.05054	7.0
231.06564	5.2
233.04495	9.8
241.05103	2.9
243.06606	1.7
245.04480	17.3
247.06024	4.1
251.05611	2.0
257.04517	24.9
259.06036	4.0
263.05548	11.5
269.04541	6.5
271.06000	4.4
275.05518	36.9
287.05524	61.2
289.07159	2.0
291.08627	13.0
299.05530	20.6
301.07248	1.7
303.08575	1.6
305.06540	8.6
317.06580	20.4
407.07495	2.3
409.09116	10.6
425.08685	16.9
427.10455	5.8
433.09256	2.2
443.09784	6.4
451.10434	1.8
595.13153	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1086
Annotation	Catechin 3,7,-di-O-galate
Peak:m/z	Relative Intensity
50.01579	0.5
51.02377	0.8
52.43451	0.3
53.03946	0.4
55.01867	0.7
55.05491	0.6
56.98127	0.3
65.03935	0.8
66.46633	0.4
67.05502	0.6
68.99792	1.0
69.03420	1.6
70.06585	1.1
71.04982	0.9
72.08157	0.7
73.02914	0.3
79.01855	3.6
79.05480	0.5
81.03420	1.0
83.04981	0.7
84.01706	0.4
85.02902	2.8
86.09707	1.4
91.05473	0.8
93.03396	0.5
93.07047	0.7
95.04967	0.7
97.02896	1.9
105.03407	0.5
105.07024	0.6
107.01308	0.7
107.04975	0.6
107.08603	0.5
109.02895	1.2
109.06570	0.4
111.00828	0.6
111.04436	3.0
119.04998	0.6
119.08513	0.4
121.06567	0.7
123.04434	31.3
125.02362	2.0
127.03949	1.9
135.04436	0.7
137.02316	0.5
137.05862	0.5
139.03908	100.0
140.04253	0.7
143.03413	3.2
147.04398	2.9
151.03909	2.5
153.01839	62.3
153.02902	4.1
154.02193	1.9
161.06007	1.0
161.09653	0.3
163.03922	1.3
165.05496	1.5
169.04944	0.3
177.01877	0.5
187.06067	0.8
189.05527	0.9
200.90782	0.4
211.20357	0.3
247.05965	0.9
273.07587	13.6
275.05606	1.0
287.05618	1.3
291.05081	3.8
291.08292	0.8
303.05017	1.5
305.03113	0.8
306.03497	0.7
315.05048	1.0
327.04922	0.5
337.10693	0.5
341.06467	0.5
342.97125	0.4
345.06195	1.6
347.07480	0.7
359.04074	0.9
371.92621	0.4
395.07779	0.4
413.08945	0.8
431.10129	0.6
449.50555	0.4
595.20471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.1
51.02392	0.3
53.00323	0.1
53.03953	0.2
69.03445	0.2
69.29634	1.0
70.06573	0.1
79.01854	1.7
91.05482	0.5
92.86739	0.1
93.07056	0.8
96.05154	0.1
97.02896	0.4
103.05441	0.5
107.01313	0.4
107.11533	0.1
121.06509	7.6
125.02338	1.2
127.03902	0.3
138.09151	0.1
139.03923	0.2
139.08438	0.1
143.03401	2.9
150.89830	0.1
153.01831	100.0
153.02786	3.7
154.02176	0.8
167.03378	0.2
213.76796	0.1
217.07381	0.1
242.08081	0.1
273.07571	0.2
290.10074	0.1
304.11923	0.1
305.02914	24.3
306.03229	0.2
425.08829	0.1
442.11206	0.5
457.04056	7.1
458.04565	0.2
475.05048	0.7
594.12390	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	594.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.0
53.03934	1.0
55.01876	2.2
65.03942	2.1
67.05482	0.8
68.99809	3.2
69.03436	1.3
69.41376	1.9
69.41788	4.9
79.01864	6.1
83.05000	1.4
85.02921	1.7
85.10771	0.7
93.03426	2.0
97.02922	2.3
101.64902	0.8
107.04984	1.5
111.04436	6.4
118.58916	0.8
121.06528	2.6
123.00780	1.0
123.04449	4.2
125.02402	2.1
127.03915	1.3
135.04417	2.4
139.03912	100.0
143.03416	5.6
151.03891	6.0
153.01848	77.3
153.02948	6.5
153.05417	4.4
163.03923	35.8
167.07416	1.1
168.08145	2.4
172.07654	1.2
172.67253	0.9
179.03377	1.3
180.08066	0.9
181.04967	16.8
183.06758	0.8
184.07571	2.1
195.06802	1.0
196.07607	13.2
196.09218	1.4
198.05586	1.9
200.07071	1.8
206.06108	2.3
207.13885	1.7
208.07629	2.2
212.07141	5.4
215.05780	1.5
216.06609	3.2
216.86142	0.9
217.07336	10.6
218.08192	3.8
222.05573	1.6
222.09082	0.8
224.07088	39.0
228.06604	3.3
229.07523	1.5
230.08096	9.7
236.07181	2.2
240.06575	10.8
241.07327	8.8
242.08141	32.7
252.06543	2.2
253.05145	0.9
253.07495	1.6
254.08141	35.0
258.07727	1.8
259.08575	3.8
260.09219	2.1
268.06033	4.7
280.06131	2.5
286.07153	1.8
289.07104	1.3
291.09045	1.2
294.07373	0.9
307.00421	0.8
311.73370	1.1
328.28598	0.8
333.06046	12.2
333.09790	1.0
350.22556	0.8
360.08792	2.1
362.10376	5.6
378.09692	6.3
379.10641	1.5
380.11313	2.4
388.08102	1.2
406.09244	13.9
424.10318	4.9
442.11469	3.3
576.11859	2.5
594.12457	74.4
595.13062	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
52.34644	0.9
55.01867	1.2
65.03938	2.1
67.01869	1.2
68.99801	3.8
70.13107	4.2
79.01862	5.5
83.04962	1.1
83.40527	1.0
91.05473	1.0
93.03394	1.1
93.07072	1.1
93.30412	1.1
97.02886	1.9
99.17010	1.0
101.22650	1.0
107.01372	1.6
111.04453	6.6
117.98747	0.8
121.06506	30.0
122.06837	9.0
123.04435	4.7
125.02385	3.5
135.04430	1.2
139.03906	100.0
143.03444	5.8
151.03909	7.7
153.01840	88.9
153.02933	6.5
153.05499	3.6
154.02211	2.1
160.35378	1.0
163.03911	39.2
167.07312	1.3
168.08102	2.5
172.07600	1.5
180.08084	1.5
181.04955	19.5
184.07574	2.5
196.07588	16.0
198.05602	2.8
200.07085	5.0
200.56323	0.9
202.05074	1.1
206.06055	2.3
207.02829	0.9
208.07610	2.8
212.07094	4.2
214.08644	1.2
215.05710	1.4
216.06573	3.2
217.07339	10.0
218.08156	3.6
222.05473	2.1
224.07079	43.3
228.06625	2.7
229.07428	2.9
230.08144	7.8
236.07062	3.4
240.06569	9.1
241.07303	7.3
242.08125	36.0
252.06534	2.5
253.07301	1.4
254.08124	36.7
254.10696	2.0
258.07498	1.3
259.08514	4.4
260.09271	3.1
268.06082	6.4
272.09195	1.2
273.07654	2.7
274.07990	2.4
280.06055	3.4
286.07281	3.0
287.50519	1.1
289.07196	1.7
290.10300	4.2
291.10675	4.7
320.09479	1.1
332.09210	1.1
333.06052	13.5
346.07123	1.4
360.08893	2.1
361.09610	1.3
362.10150	7.7
378.09659	8.9
380.11224	2.3
388.08014	1.2
406.09128	14.8
424.10126	6.9
441.66260	1.1
442.11566	3.0
456.09210	1.3
576.11560	2.2
594.12439	80.1
595.12933	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	593.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.2
51.52230	1.0
53.03953	2.3
55.01869	1.3
55.05511	14.6
57.03438	2.5
57.07076	2.9
59.04971	1.5
61.31804	1.1
61.89816	0.9
63.44965	1.0
65.03947	2.9
67.05505	35.2
69.07073	11.6
69.29788	8.8
71.04980	1.6
72.76693	1.0
75.04465	1.1
75.30255	1.0
79.05494	26.4
81.07057	36.5
83.08636	7.7
83.16615	1.0
85.06577	1.2
91.05484	25.8
93.07047	28.6
95.04971	3.1
95.08614	29.7
97.06574	2.0
97.10172	4.5
98.21484	1.8
103.05409	1.4
105.07031	27.2
105.07561	1.1
107.08598	13.4
109.10149	13.8
111.08092	1.2
114.25639	1.0
115.05445	2.1
117.07026	13.0
119.08582	22.8
119.09370	1.7
121.10156	13.7
123.08130	1.2
123.11726	3.1
125.09653	1.3
128.06223	3.1
129.06996	11.6
131.08568	23.8
133.10135	18.1
135.11687	8.6
137.13176	1.5
141.07042	2.6
142.07790	3.2
143.08574	15.5
144.09271	1.1
145.10130	20.6
147.11684	11.4
149.13281	4.6
153.49301	1.0
155.08582	6.2
157.10141	16.3
159.11702	18.9
161.13315	6.2
163.14874	3.1
167.08540	3.2
169.10118	9.5
171.11711	13.9
173.13243	12.7
175.14868	3.7
181.10143	3.0
183.11665	11.4
185.13222	10.5
187.14865	5.0
195.11745	4.3
197.13243	8.5
199.14842	7.8
201.16402	2.2
207.11769	1.4
209.13342	4.1
211.14848	5.6
213.16345	6.1
223.14880	2.8
225.16385	3.1
227.17984	3.3
237.16380	1.7
239.18010	2.9
241.19560	4.8
243.21123	1.9
251.17914	1.7
253.19637	2.0
257.19040	3.2
259.20569	7.9
261.22241	4.3
283.20450	1.2
295.20703	1.2
297.22345	1.5
315.23227	6.4
317.24680	1.8
335.25864	1.8
339.22958	1.1
353.28561	1.8
395.33441	1.8
403.19376	2.4
405.20865	1.9
417.21204	1.7
419.22363	3.4
431.18701	4.5
433.24258	1.8
445.20358	3.5
446.21075	2.9
447.21902	4.8
451.36078	1.1
459.22098	2.0
460.22653	4.6
461.23236	2.3
501.40936	2.9
505.21747	1.4
519.42120	11.6
533.25555	13.9
537.43127	10.7
557.43323	1.3
575.44501	3.3
593.27673	53.3
593.45648	100.0
594.28168	2.1
594.46088	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	593.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72118	2.7
53.03948	3.2
55.05516	15.7
57.03446	5.8
57.07059	4.6
59.04977	2.8
67.05505	33.2
69.03427	5.8
69.07069	26.6
69.46282	20.2
69.91927	2.5
70.06622	3.9
73.02918	3.0
79.05492	14.3
81.03429	4.0
81.07063	91.1
83.04972	3.0
83.08628	13.6
85.02916	10.6
85.06554	5.1
91.05480	12.2
93.07052	32.0
95.01325	5.7
95.08617	100.0
97.02904	4.7
97.06553	4.9
97.10185	12.8
98.20756	4.0
99.08116	4.1
105.07033	17.6
107.08598	40.5
109.10163	53.4
111.08080	6.1
111.11750	7.5
113.02406	3.3
119.04910	4.5
119.08582	13.4
121.06503	8.7
121.10149	26.0
123.04446	3.1
123.11720	28.1
125.09648	11.1
127.03890	5.1
129.07004	3.0
131.08601	2.8
133.10130	13.2
135.08093	3.5
135.11731	20.0
137.06020	5.6
137.13264	10.0
139.03943	23.1
139.11165	15.7
141.01820	7.1
145.10130	7.2
147.04419	3.5
147.11694	9.3
149.13275	26.1
151.03908	7.3
151.11192	3.7
151.14841	10.7
153.01852	40.7
153.02997	5.0
153.12688	3.1
159.11743	10.3
161.13280	10.5
163.03937	3.2
163.07645	2.9
163.14864	14.0
165.12794	5.7
165.16446	3.1
171.11653	2.9
173.13252	4.2
175.14838	6.9
177.05533	4.0
177.09215	2.8
177.16425	4.1
179.14368	3.8
181.04901	3.4
189.16344	3.1
191.17973	6.4
198.75656	2.6
201.16362	4.8
215.17924	3.4
219.17427	3.8
221.18950	2.9
233.18881	4.8
256.37265	3.1
259.24268	9.8
271.24350	16.2
277.25333	19.7
289.25211	40.4
290.25677	2.8
305.02954	8.5
307.26245	5.2
381.29947	36.5
430.18649	2.8
506.77954	2.7
575.35431	4.1
593.35535	20.7
594.12610	3.9
620.75354	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	593.2756
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
102.65785	0.4
133.60078	0.4
182.95482	0.4
201.29025	0.4
280.26660	0.3
315.12079	0.4
361.59717	0.5
375.50049	0.4
376.17896	0.4
388.16962	0.5
389.17670	1.2
391.18884	0.5
395.60229	0.4
401.17902	0.6
402.18488	1.1
403.19287	2.7
404.20087	1.5
405.20850	1.6
415.15216	0.6
416.20605	0.7
417.16360	1.0
417.21481	3.1
418.21558	1.6
419.22348	4.2
430.17712	1.0
431.18268	8.6
432.19461	2.1
432.24121	0.8
433.24268	5.8
434.24585	1.6
443.18741	0.5
444.19235	0.6
445.19980	10.9
446.20853	5.3
447.21759	6.0
447.26926	0.5
449.23483	0.4
459.21500	3.1
460.22620	11.2
461.23199	8.8
464.22324	0.4
473.23602	2.0
474.24155	0.5
476.25821	1.1
477.22055	0.4
483.15799	0.4
487.25153	0.9
491.24841	0.8
492.25168	1.0
505.22089	6.2
515.24170	0.6
518.23279	0.6
519.23901	0.8
533.25513	26.5
534.25970	0.8
535.23010	0.4
561.25397	0.5
564.23694	0.6
565.28107	0.9
593.27582	100.0
594.27844	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84774	0.4
67.55173	0.5
69.57662	0.5
71.16652	1.1
78.48439	0.5
105.48998	0.5
181.30679	0.5
207.51779	0.5
210.58237	0.5
226.18153	0.5
389.17798	1.3
390.18774	0.5
401.17877	0.9
402.18393	0.8
403.19269	3.8
404.20053	1.1
405.21039	1.8
416.20395	0.9
417.21466	3.8
418.21725	1.7
419.22357	3.9
429.21198	0.8
430.17740	1.2
431.18250	9.1
431.24228	0.7
432.19522	1.8
433.19226	0.6
433.24194	7.8
434.24741	1.3
445.19931	11.4
446.20950	5.7
447.21698	5.7
459.21448	4.5
460.22601	14.0
461.23270	12.4
473.23593	2.5
474.24194	1.0
476.26001	1.4
477.27142	0.9
487.24750	1.4
489.26782	0.9
491.24255	0.7
492.25305	0.9
505.21811	5.0
518.23383	0.9
519.23926	0.8
533.25525	46.1
534.25970	0.9
547.26727	0.7
565.28351	1.1
575.26575	0.9
593.27576	100.0
594.28003	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01861	1.7
55.05524	6.9
57.03446	7.8
57.07072	1.5
57.61465	0.9
65.03945	1.3
67.05514	15.6
69.03423	2.0
69.07087	4.4
71.04986	1.7
71.50934	1.1
79.05496	18.3
81.03410	4.1
81.07063	19.3
82.92765	1.0
83.04982	2.1
83.08627	2.8
85.02898	2.1
91.05481	19.5
93.07056	26.4
95.04987	3.1
95.08614	15.1
97.02926	2.3
97.06518	2.2
97.10200	1.1
98.98473	9.8
103.03975	1.9
105.07037	17.7
107.08612	14.6
109.02917	1.6
109.10175	3.2
117.07047	6.7
119.08591	16.6
121.06512	1.8
121.10157	14.2
123.08064	1.0
129.05499	5.2
129.07027	3.2
131.08577	10.9
133.10143	12.3
135.08078	2.1
135.11710	10.1
139.03827	1.2
143.08603	3.2
144.08089	1.0
145.10141	7.9
147.11699	10.5
149.09648	2.7
149.13252	5.7
153.01808	5.4
155.00993	1.7
155.07077	2.0
157.10138	5.7
159.11688	7.7
161.13261	10.3
163.03926	2.0
163.11180	1.6
163.14871	3.5
171.11653	6.0
173.13239	5.8
175.14876	6.8
177.09157	0.9
185.13319	5.6
187.14842	2.0
199.14861	3.0
213.16440	1.3
215.18048	3.7
217.19438	5.6
219.11409	1.0
231.21251	1.0
241.19533	25.3
243.21164	2.5
257.58908	1.0
259.20554	12.0
259.23016	1.1
261.03729	1.8
275.20154	2.5
277.21646	2.1
278.73871	0.9
315.23080	3.6
317.84732	1.0
333.24252	100.0
334.24808	2.1
335.07455	1.3
518.30865	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
55.03939	3.3
55.05506	12.0
57.03423	3.8
64.52037	3.1
67.05213	3.1
67.05510	28.8
69.03423	6.4
69.07040	4.9
71.51542	4.3
79.05499	25.6
81.03413	5.4
81.07068	28.1
82.06550	4.5
83.04967	5.3
83.08613	4.6
87.04443	4.5
91.05505	14.6
93.07044	33.2
94.06576	16.4
95.04962	11.6
95.08608	24.5
96.08113	3.6
97.06516	8.2
97.10157	5.3
105.07054	16.7
106.07371	3.0
107.07350	6.2
107.08610	7.8
109.10176	6.2
110.09655	7.4
111.08090	14.1
118.57915	2.8
119.08566	5.1
122.09673	28.2
123.08089	30.5
128.10713	34.3
133.10139	5.0
140.10707	100.0
141.09084	10.9
146.10500	4.3
147.60025	3.0
158.11772	8.2
161.13271	3.4
175.11266	3.0
222.68327	3.3
264.26736	3.2
272.25925	5.2
273.53516	2.9
275.20129	4.3
276.20432	5.7
281.17584	3.3
282.17853	3.8
336.25833	3.8
382.33078	8.6
394.33179	20.8
412.34296	53.3
574.38367	4.7
594.38025	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	593.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.3
53.03946	0.4
57.21684	0.3
66.91618	0.2
69.96024	0.3
70.00900	1.0
70.01268	0.5
73.66105	0.2
73.69014	0.2
77.03952	0.3
79.01858	0.4
89.62147	0.2
91.05473	2.4
93.07047	4.0
94.49557	0.3
95.04946	0.6
103.05463	2.4
107.01299	0.3
121.06508	100.0
122.06843	1.1
123.04395	0.4
125.02361	0.6
134.19868	0.3
138.09047	0.2
139.03905	5.0
143.03404	0.6
150.09938	0.3
151.03893	0.4
153.01833	17.5
153.02814	0.8
153.42030	0.3
154.02110	0.3
162.93422	0.3
163.03928	1.6
165.05484	1.1
172.07396	0.3
181.04968	0.5
182.62592	0.2
196.07581	0.7
200.07112	0.3
216.06717	0.3
224.07088	1.6
230.08212	0.4
241.07394	0.4
242.08195	1.7
254.08009	1.7
273.07599	9.6
290.10233	24.2
291.10635	0.4
308.11353	0.8
333.05927	0.6
362.10422	0.4
406.09293	0.5
424.09943	0.3
594.12549	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	591.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.4
55.01861	2.1
55.05509	15.1
57.03440	13.3
57.06792	2.3
57.07078	43.6
67.05506	66.9
69.07070	18.9
71.04987	1.5
71.08635	26.6
79.05076	2.8
79.05499	38.5
81.07060	69.2
83.05005	2.1
83.08633	13.3
85.06546	2.0
85.10184	12.4
87.72681	1.4
89.06017	1.7
91.05482	17.2
93.07050	45.8
95.04964	2.0
95.08612	63.3
97.06516	2.2
97.10156	5.3
103.07563	2.4
105.07024	13.2
107.08600	31.1
109.06509	2.0
109.09471	2.4
109.10161	30.5
109.10844	2.8
111.11627	1.6
117.07036	7.5
119.08572	12.7
121.10152	22.2
123.11720	14.6
131.08580	16.2
133.10118	10.2
135.11700	20.8
137.13229	5.5
139.11128	1.5
140.77856	1.4
145.10109	9.6
147.11656	6.9
149.13248	11.8
159.11699	9.7
161.13336	8.0
161.14490	1.5
163.14816	7.6
170.80769	1.3
173.13322	10.2
175.14813	3.2
177.16341	1.5
187.14784	3.7
228.67165	1.7
233.22697	2.1
239.23633	4.1
243.21129	13.4
257.24796	2.4
261.22147	72.8
313.27365	100.0
317.24719	12.8
335.25818	62.6
336.25793	2.4
499.44925	1.9
573.48773	19.3
591.49933	8.0
617.73383	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57488	12.0
152.73865	11.3
162.27786	10.7
188.54114	12.5
220.04065	12.0
223.40053	12.9
308.44421	11.0
379.34540	11.2
430.18188	12.2
445.20105	53.3
446.20886	26.2
458.20529	14.2
472.23468	12.2
533.25421	24.0
592.27002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82715	1.3
53.03941	4.0
53.54842	1.2
55.01867	3.7
55.05270	1.6
55.05512	24.3
57.03438	9.7
57.07080	9.9
57.28794	1.3
59.04995	6.1
62.35844	1.2
65.03934	2.5
67.05506	37.0
69.03430	7.8
69.06207	1.4
69.07072	47.6
69.91862	6.3
70.06602	1.9
71.01355	10.7
71.04980	3.9
71.08638	1.5
72.15921	1.1
73.02930	13.1
79.05499	20.4
81.03411	1.7
81.07061	100.0
83.04972	2.2
83.08624	12.5
85.02909	25.2
85.06544	10.6
91.05488	12.0
91.16933	1.4
93.07045	43.7
95.01318	4.1
95.04962	5.9
95.08612	84.3
97.02881	4.8
97.06525	7.6
97.10175	20.8
99.00789	2.5
99.08084	4.3
101.02362	3.7
103.03936	5.3
105.07034	17.0
107.08600	42.8
109.06526	5.0
109.10162	29.9
111.08083	10.1
111.11737	8.1
113.02384	11.0
113.09637	1.4
117.06985	2.5
119.08597	14.2
121.06481	1.6
121.10152	28.1
123.08074	3.3
123.11711	60.0
125.09613	4.2
131.03406	3.4
131.08604	2.4
133.10146	11.7
135.11699	16.5
137.13255	17.3
139.03880	2.1
139.11189	16.4
141.01805	8.9
141.12727	2.9
145.10123	4.0
147.11679	12.9
149.09618	1.4
149.13264	41.1
151.11192	6.8
151.14783	2.2
153.01859	3.3
153.12747	8.7
157.10164	3.2
157.12238	7.2
159.02882	2.7
159.11697	6.1
161.13272	8.1
163.11201	1.9
163.14803	8.2
165.12732	3.9
169.12201	3.0
171.11740	2.2
171.13737	2.2
173.13278	3.0
175.14856	4.8
177.16405	3.0
179.14357	1.6
187.13286	4.1
187.14815	2.7
189.16368	3.8
203.12633	1.6
203.17998	2.4
207.17554	1.8
213.16516	1.7
215.05482	2.7
221.15396	1.7
221.18892	2.4
231.17484	1.7
235.16908	2.2
235.24968	1.3
241.14304	9.7
243.15959	12.3
249.18521	1.8
251.07401	1.2
255.15887	1.8
259.15457	4.3
269.22577	3.0
273.16986	2.2
275.23755	2.4
277.25256	4.2
287.23679	9.3
289.25189	1.4
293.24634	4.3
295.26440	1.9
305.24734	29.2
323.25702	6.2
325.42770	1.3
367.28363	4.5
379.28369	17.6
397.29520	17.9
454.14725	1.4
543.31604	2.2
555.31860	2.0
573.32623	3.0
591.33221	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	589.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.9
53.03937	3.1
55.01869	2.3
55.05269	1.3
55.05512	17.2
57.03197	1.1
57.03441	12.4
57.07078	52.2
58.07391	1.1
60.73362	0.9
65.03939	2.0
67.05505	43.7
69.07066	18.3
69.85610	2.3
69.86019	3.1
71.04974	2.5
71.08630	33.9
74.24648	1.0
79.05492	35.4
81.03414	1.5
81.07055	55.6
83.08139	1.7
83.08615	17.3
84.03681	0.9
85.06536	3.7
85.10180	17.8
88.59451	1.1
89.06013	1.8
91.05479	50.7
93.07043	43.7
93.07639	1.9
95.04954	3.3
95.08606	49.3
97.06509	3.1
97.10181	8.3
99.08086	3.4
103.05431	1.4
105.07031	56.6
107.08594	24.2
109.06502	2.9
109.10159	19.7
111.08035	1.3
111.11723	1.4
115.05457	1.3
117.07027	13.7
119.08584	49.6
120.08843	1.0
121.09341	1.4
121.10149	20.8
123.08073	1.9
123.11702	7.9
125.09637	1.8
128.06201	1.0
129.07010	8.5
131.08571	21.5
133.09108	2.1
133.10130	42.9
135.08051	2.3
135.11678	18.1
137.06000	6.0
137.09631	1.0
137.13232	3.1
142.07745	0.9
143.08556	8.4
145.10114	19.2
147.08023	1.6
147.10510	2.3
147.11682	42.7
148.33719	0.9
149.09619	1.3
149.13248	12.2
151.05525	0.9
151.11189	3.0
155.08485	0.9
157.10129	8.1
159.11700	20.0
161.09619	1.3
161.13254	37.2
163.11162	2.7
163.14824	3.8
171.11696	14.1
173.13263	12.5
175.11186	2.1
175.14847	15.5
177.12686	1.1
179.14288	1.9
185.13258	10.5
186.16240	1.2
187.14883	5.0
187.60959	1.1
189.12733	2.6
199.14824	6.2
201.16310	2.1
203.14319	1.5
210.17323	0.9
213.16411	3.0
215.17957	1.7
217.19508	2.0
231.17413	1.2
231.21025	8.8
239.23761	5.4
241.19521	37.5
249.18669	1.1
257.24719	2.3
259.20572	98.6
275.19989	1.3
277.18213	5.1
277.21347	5.0
285.20343	1.1
313.27362	100.0
315.23096	8.4
333.24225	50.3
333.28275	2.2
351.25107	2.9
374.90005	1.0
409.06851	1.4
497.43130	1.9
571.47064	8.4
589.48370	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	591.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.05510	4.8
57.03433	1.9
57.07071	3.8
65.03941	0.9
67.01870	7.8
67.05510	14.5
68.99776	1.0
69.03425	3.8
69.07071	6.0
70.80960	1.0
71.08625	3.3
71.51469	1.4
79.05502	13.2
79.80168	0.9
81.03429	8.8
81.07062	17.6
83.04953	1.4
83.08625	2.1
83.76563	0.8
85.02917	7.7
85.10187	1.6
91.05492	10.3
93.07061	14.5
95.04969	3.4
95.08621	13.7
97.02898	3.4
97.06532	1.2
97.10179	1.9
99.04461	1.6
105.07034	6.1
107.04930	1.3
107.08602	8.8
109.02882	2.6
109.06513	0.9
109.10178	6.8
109.10804	1.2
111.00804	1.2
117.07027	3.3
119.08588	5.2
121.10169	7.1
123.04430	6.1
123.11671	1.7
127.03915	10.0
129.07014	1.3
131.08586	4.7
133.10162	4.9
135.11687	5.7
139.03964	1.1
143.08586	1.4
145.10110	5.2
147.11693	3.1
149.13281	2.5
151.03912	25.1
159.11703	3.4
161.13303	2.3
163.03922	1.7
169.04984	100.0
171.11661	1.4
173.13297	2.7
175.03857	1.0
175.14861	1.4
181.05008	2.7
183.11725	1.1
187.14787	1.0
193.04977	5.1
201.16379	1.2
207.06488	1.4
209.13367	1.2
211.06105	5.6
235.06062	3.6
243.21040	1.4
259.06082	2.2
261.22092	7.7
277.07053	3.0
303.23257	1.4
313.27420	7.2
315.23160	1.1
317.24689	1.2
335.25885	6.0
369.24231	1.5
373.55682	1.0
374.91043	1.0
387.25439	2.2
405.26541	1.1
573.48785	2.2
591.43793	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.8
55.01873	1.4
55.05513	18.6
55.79646	1.2
57.03454	9.7
57.07083	46.9
64.61069	1.6
65.03947	1.9
67.05512	43.2
69.07076	16.4
70.75184	2.3
70.75520	1.7
71.05009	1.9
71.08640	29.7
79.05499	35.4
79.65198	1.2
81.07061	48.5
83.08627	16.3
85.06525	2.4
85.10193	15.7
90.03972	1.3
91.05491	44.9
93.07056	50.0
95.05000	2.2
95.08615	43.6
97.06564	3.0
97.10165	6.2
103.05471	2.2
104.63113	1.3
105.04514	2.3
105.07041	50.0
107.08601	23.3
109.06548	1.6
109.10175	17.9
111.08054	2.5
117.07033	12.5
119.08598	42.9
121.10158	23.0
122.41535	1.5
123.11724	6.9
125.09701	1.9
129.06999	7.8
131.08597	18.5
133.10144	41.1
135.08070	1.7
135.11713	18.9
137.09639	1.6
137.13298	3.9
143.08560	8.9
145.10149	18.6
147.11700	49.1
149.13284	12.7
151.11256	1.6
157.10159	7.7
159.11700	17.2
161.13271	34.4
163.11165	2.9
163.14836	4.7
171.11661	11.4
173.13300	11.6
175.14844	11.4
177.12743	2.6
179.14328	1.9
185.13293	10.2
187.14850	4.2
199.14790	5.9
213.16409	3.6
215.17903	1.4
217.19530	1.4
231.21129	10.0
239.18156	1.6
239.23753	5.8
241.19539	39.3
257.24713	3.6
259.20602	99.0
261.22211	3.1
277.18509	1.4
277.21658	3.6
279.21201	1.4
311.25900	2.0
313.27399	100.0
315.23120	7.3
333.24246	53.8
335.25763	1.9
351.25330	1.7
497.43704	3.3
571.47247	8.7
589.48608	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	589.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.5
53.03945	4.2
55.01863	2.2
55.05511	17.8
57.03440	10.3
57.07079	46.4
65.03940	3.4
67.05505	42.1
69.07074	19.0
69.86552	7.0
71.04987	3.0
71.08633	33.4
72.10120	1.1
79.05493	39.6
81.07059	49.0
83.08613	14.1
85.06539	4.0
85.10177	14.5
89.06051	1.3
91.04908	3.0
91.05479	57.5
93.07043	39.3
95.04980	4.3
95.08610	44.0
96.08991	1.1
97.06514	3.3
97.10160	7.0
98.20769	1.4
99.08102	3.9
105.07035	58.7
107.04973	2.1
107.08598	25.4
109.06499	1.9
109.10156	18.9
111.08124	1.7
113.09695	1.8
115.05461	1.8
117.07010	12.9
119.08586	47.4
121.06514	1.4
121.10133	18.2
123.08094	1.5
123.11689	7.8
125.09652	1.4
128.06198	2.5
129.05457	1.4
129.07022	12.5
131.08577	18.2
133.10136	36.7
135.08035	2.5
135.11693	15.3
137.13242	2.7
139.11130	1.3
142.07755	1.3
143.08571	9.5
145.10123	18.5
147.10503	2.2
147.11694	44.8
149.09671	2.1
149.13280	8.6
151.11165	1.7
157.10114	9.5
159.11694	18.1
159.23605	1.4
161.09587	1.2
161.11983	2.5
161.13268	38.4
163.11220	3.1
163.14798	2.7
171.11670	12.4
173.13264	9.9
175.11201	2.6
175.14850	18.4
177.05486	2.3
177.12794	1.8
179.14302	2.4
185.13237	11.7
187.14822	4.9
189.12662	1.5
189.16170	1.4
199.14824	7.4
201.16380	2.0
203.14284	1.7
213.16490	2.6
215.17941	2.6
217.19475	1.9
231.17596	1.4
231.21089	8.7
239.23737	5.9
241.19516	45.7
248.66113	1.3
257.24738	2.4
259.20569	91.6
260.21085	1.6
265.50882	1.3
277.18402	1.4
277.21625	5.6
313.27371	100.0
314.42508	1.2
315.23080	6.5
333.24228	51.2
349.24133	1.3
351.25455	2.8
369.59100	1.3
377.87991	1.4
497.43536	1.6
548.96429	1.5
571.47266	6.9
589.48267	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	587.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.8
55.01875	13.1
55.05515	25.7
57.07079	40.7
65.03944	3.3
67.05511	53.0
69.03453	1.8
69.07071	40.6
71.08634	25.7
78.99931	1.7
79.05502	36.1
81.03421	7.3
81.07063	67.8
83.04991	7.6
83.08617	16.6
84.34504	1.7
85.06539	4.0
85.10180	11.6
89.42240	2.0
91.05484	49.5
91.06025	3.7
93.07050	37.7
93.89615	1.7
95.01334	13.7
95.04966	10.7
95.08614	48.4
95.70175	1.7
97.02905	1.8
97.06538	21.6
97.10171	9.5
99.08111	3.4
103.01102	1.6
103.05494	2.1
105.07036	69.5
107.04965	21.0
107.08595	15.8
109.06514	2.9
109.10154	16.9
111.08085	3.8
114.28075	1.8
117.07028	17.1
119.08601	31.1
121.06479	3.9
121.10165	10.2
123.08084	5.6
123.11722	5.3
125.09631	2.2
129.07024	3.2
131.08574	24.9
133.10136	44.3
135.08040	2.9
135.11749	8.9
137.09563	2.5
137.13237	2.6
142.43570	1.8
143.08569	2.5
145.06523	1.8
145.10139	20.6
147.11723	16.4
149.09598	6.0
149.13245	2.9
151.11201	2.4
155.38120	1.8
157.10193	2.9
159.11717	12.9
161.13255	8.4
163.11246	6.7
169.10178	1.7
171.11684	3.9
173.13298	5.4
177.12830	3.5
179.14320	26.6
187.11165	5.6
213.83749	1.9
219.17491	2.4
229.19556	2.9
237.22218	2.1
239.18115	1.8
239.23723	3.7
247.20595	3.4
257.18979	9.1
275.20081	100.0
293.21121	8.7
313.27420	3.0
336.33386	1.8
415.92960	1.8
587.46710	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	587.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01878	9.8
55.05511	30.1
57.03428	6.7
57.07074	50.3
59.05021	1.8
65.03931	5.3
67.05503	60.9
69.03432	2.3
69.07066	35.6
69.34725	1.4
69.77046	7.0
71.04982	2.3
71.08629	33.4
73.41106	1.5
79.05495	43.6
81.07056	56.9
83.04985	5.4
83.08613	21.1
85.06544	3.0
85.10181	16.8
89.06036	2.8
91.05481	45.7
93.07047	44.0
95.01353	3.8
95.04982	6.7
95.08607	59.9
97.06525	13.5
97.10168	13.6
99.08141	2.0
103.05493	2.5
103.07535	1.9
105.07037	54.1
107.04960	11.5
107.08596	33.0
109.06554	4.6
109.10151	27.4
111.08083	3.1
111.11729	2.1
115.05432	2.2
117.07023	18.7
119.08580	33.9
121.06479	4.1
121.10136	17.8
123.11734	9.8
125.09637	4.0
128.06226	3.4
129.07004	10.1
130.07843	2.9
131.08566	34.7
133.10130	31.0
135.08063	4.2
135.11688	12.8
137.09636	3.8
141.06975	2.7
143.08560	11.2
145.10129	55.0
147.11681	25.9
149.09630	18.8
149.13263	6.6
151.11195	2.6
151.14838	1.7
155.08551	4.2
157.10118	8.8
157.46660	1.5
159.08093	1.8
159.11690	21.5
161.13266	15.4
163.11172	9.1
163.14838	2.9
169.10176	5.9
171.11674	15.9
173.11966	1.9
173.13257	9.7
175.14853	5.8
177.12819	2.6
179.14343	6.7
183.11649	8.2
185.13292	6.4
186.18950	1.7
187.11069	2.0
187.14815	3.4
197.13272	5.0
199.14870	2.7
215.14449	1.8
223.90317	2.0
226.20872	1.7
229.19556	5.0
239.17970	12.6
239.23779	5.4
241.19577	5.9
257.19003	42.2
259.20563	15.5
275.20053	61.2
293.21152	4.6
311.25827	17.1
313.21664	2.5
313.27368	28.1
316.55576	2.1
331.22726	10.7
333.24393	6.5
569.45081	4.9
587.46759	100.0
588.47302	3.1
602.07684	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00551	0.7
51.02356	0.9
53.03961	6.1
55.01875	10.4
55.05270	1.7
55.05517	24.8
57.03439	3.5
57.07080	35.5
59.90033	0.9
61.83546	0.9
63.08445	0.9
65.03944	3.7
67.05509	53.6
69.03437	1.8
69.07073	37.2
69.40578	1.3
70.09748	4.1
71.04987	2.3
71.08636	23.0
77.03915	1.0
78.96672	0.8
79.05497	37.6
81.03419	6.9
81.07061	72.1
83.04984	6.8
83.08147	1.4
83.08627	18.2
85.06540	2.3
85.10186	13.0
86.36094	0.9
91.05487	54.6
93.06580	0.7
93.07051	33.1
95.01334	11.7
95.04974	8.4
95.08611	54.3
97.06539	20.7
97.10172	9.0
98.20840	1.1
99.08109	1.7
103.05456	2.3
105.04547	1.7
105.07036	70.5
107.04965	19.3
107.08601	20.9
109.06559	6.1
109.10159	14.5
111.04466	0.9
111.08112	3.4
113.09687	2.8
115.05470	2.6
117.07027	18.3
119.08586	40.3
121.06506	3.3
121.10139	9.8
123.04471	2.1
123.08052	2.6
123.11707	5.4
125.09634	2.4
125.13294	1.0
128.06213	1.0
129.07039	3.6
130.07787	1.2
131.08571	25.8
133.06519	1.2
133.10139	39.7
135.08060	3.2
135.11702	7.0
137.09622	2.3
137.13290	1.8
139.07573	1.2
141.07016	2.6
142.07794	1.6
143.08609	4.8
145.06485	2.2
145.10121	21.9
147.11696	17.1
149.09659	8.7
149.13271	4.2
151.11194	2.2
155.08598	2.1
157.10179	4.7
159.08139	1.2
159.11710	13.5
161.09566	1.1
161.13260	4.4
163.11185	6.6
165.09206	1.6
165.12799	1.8
169.10146	3.4
171.11739	3.9
173.13284	4.5
175.11118	1.1
177.12770	4.2
179.14322	22.0
183.11746	4.1
185.13118	1.3
185.90437	1.0
187.11221	3.8
187.14922	1.3
189.16414	1.0
195.13701	1.6
197.13298	3.4
201.16553	1.3
203.14372	1.0
205.12262	1.1
215.18034	1.5
219.17468	6.3
223.13380	1.4
229.19577	3.3
239.18089	4.1
239.23721	2.3
247.20659	4.2
257.19019	15.0
275.20074	100.0
276.20435	1.7
293.21182	8.4
313.27481	4.0
331.22812	3.0
349.23926	3.8
577.13477	1.0
587.46704	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01880	7.0
55.05512	30.7
57.03447	7.0
57.07079	41.3
65.03938	2.1
67.05508	60.3
67.21698	1.3
69.07072	42.7
69.93018	6.2
71.04988	4.0
71.08635	27.7
79.05071	3.1
79.05497	42.0
81.03429	2.0
81.07060	68.4
83.04980	3.2
83.08622	28.2
85.06536	4.0
85.10173	13.2
91.05484	57.3
93.07044	45.1
95.04975	5.6
95.08612	56.0
97.06526	11.8
97.10191	12.0
98.21487	2.5
99.08112	3.1
103.05482	3.3
105.04533	1.7
105.07034	59.1
107.04951	6.8
107.08589	34.8
109.06540	5.6
109.10155	23.5
111.08049	3.2
111.11742	2.6
115.05449	2.0
117.07021	20.1
119.07719	2.1
119.08578	41.0
121.06512	3.1
121.10150	20.3
123.08042	3.7
123.11719	7.6
125.09652	4.1
127.04482	1.5
128.06235	2.5
129.07004	12.2
130.07788	3.1
131.08575	31.0
133.10139	37.5
135.08057	3.4
135.11682	16.8
137.09697	1.8
137.13237	3.0
139.11224	3.1
141.07045	2.7
143.08563	12.6
145.10129	42.9
147.11684	28.4
149.09599	11.2
149.13237	8.0
151.11234	2.8
151.14977	1.8
155.08501	3.4
157.10165	11.8
159.11710	25.1
161.09680	2.6
161.13275	19.2
163.11176	9.4
163.14879	2.9
165.12865	2.7
169.10127	5.6
171.11703	10.0
173.09796	1.4
173.13275	11.6
175.14806	7.1
177.12814	1.8
179.14294	7.5
181.12164	1.4
183.11708	5.9
185.13258	9.0
187.14894	2.5
189.16408	1.6
189.83723	1.4
191.14322	2.7
197.13307	5.3
199.14841	4.6
203.14334	1.5
211.14970	1.9
213.16385	3.1
219.17451	2.8
221.15288	1.7
229.19615	4.7
231.21094	4.5
237.22102	2.1
239.17964	11.3
239.23709	5.1
241.19571	13.5
247.20686	2.0
257.19019	34.5
259.20584	31.6
275.20074	42.8
293.21030	3.2
311.25818	39.6
311.29230	2.6
313.27420	25.7
315.23154	3.6
331.22702	12.0
333.24268	15.3
335.91034	1.7
349.23962	2.3
351.25595	2.1
569.45819	5.9
587.46606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76380	2.8
53.03918	3.3
55.05504	14.5
57.03423	3.1
57.07082	100.0
58.04213	11.0
59.05006	38.3
59.21117	3.1
63.21275	3.3
67.05506	18.8
69.07066	7.3
70.45750	10.2
71.08639	91.4
72.05770	17.4
72.23070	3.3
73.02915	8.8
73.06571	21.3
74.80926	3.4
79.05504	12.3
81.03473	5.1
81.07072	18.0
82.07843	4.9
83.08625	13.7
85.10194	80.4
87.04482	36.5
88.05271	5.0
89.06039	39.7
90.01922	57.2
91.05482	8.1
93.07059	10.9
95.04995	4.2
95.08608	10.6
97.06531	3.7
97.10201	5.9
99.11747	7.9
102.06788	3.1
103.07587	16.7
105.07041	9.7
105.43156	3.8
107.08595	6.7
109.10175	7.6
117.09122	18.3
119.08593	7.1
124.67773	3.5
131.08528	4.3
133.08655	17.3
133.10178	6.2
138.14101	4.1
141.16339	4.4
141.84488	3.2
147.11720	4.4
169.15898	9.4
177.11293	5.6
178.07140	10.1
179.12952	3.4
197.74002	3.4
198.19757	5.5
199.20578	9.5
208.15485	7.4
209.13800	6.1
222.09758	10.0
222.17053	4.9
238.89629	3.2
252.18063	8.7
266.12305	6.1
266.19485	3.8
267.18054	6.3
275.20273	5.0
296.20718	8.4
312.20218	5.0
329.08594	4.1
348.31168	7.2
372.18814	6.7
436.36511	20.2
480.38565	3.6
489.35782	4.0
498.33887	3.3
587.39606	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	587.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.7
55.01865	4.0
55.05508	14.0
57.03442	11.3
57.07064	2.1
59.04993	7.1
65.03925	3.0
67.01884	2.2
67.05505	32.8
69.03432	62.1
69.07064	16.7
70.06588	4.2
71.01349	11.0
71.04991	7.2
71.51688	3.3
71.97673	2.4
73.02921	21.1
79.01855	6.7
79.05493	19.1
81.03423	4.7
81.07055	62.4
83.01330	2.7
83.04996	5.5
83.08629	3.3
85.02912	36.2
85.06547	4.3
86.09686	3.0
87.04482	3.4
89.93793	2.2
91.05485	14.3
93.07048	39.2
95.01353	4.9
95.04983	6.9
95.08611	100.0
97.02892	9.1
97.06532	14.6
97.10186	4.1
99.00797	2.9
99.04482	5.6
101.02408	4.1
103.03951	3.7
105.07035	23.2
107.08605	25.5
109.02915	5.0
109.06516	4.4
109.10152	24.7
111.04442	3.2
111.08097	17.8
111.11699	5.2
111.20621	2.1
113.02405	17.8
113.06024	3.5
115.03956	3.4
117.07012	3.1
119.04912	3.3
119.08575	16.2
121.02856	6.7
121.06496	4.0
121.10157	32.2
123.04417	2.4
123.08066	3.0
123.11701	23.2
125.02322	4.9
125.06014	8.7
125.09615	8.7
127.03912	5.7
127.36205	2.6
131.03427	4.7
131.08554	7.5
131.53287	2.2
133.10139	24.6
134.10463	2.4
135.08055	3.1
135.11723	11.4
137.09592	6.3
137.13206	4.4
139.03929	22.4
139.07549	33.7
139.11182	7.1
141.01836	7.1
143.03400	5.8
143.08617	4.2
143.10719	4.6
145.04846	2.4
145.10126	9.8
147.11707	11.9
149.09645	11.9
149.13211	11.6
151.03894	4.1
151.07568	2.7
151.11176	16.4
153.01840	93.0
153.02962	6.3
153.09160	4.1
154.02167	19.3
155.02347	5.2
155.10652	5.1
157.10118	7.3
159.02913	3.3
159.11729	13.7
161.06015	2.4
161.09685	3.7
161.13286	8.1
163.03918	6.3
163.07570	2.5
163.14851	4.0
165.09096	7.4
167.07071	3.2
167.10687	36.4
167.14302	7.2
168.14684	4.7
169.10165	4.4
169.12317	2.8
171.02927	3.6
171.11736	2.3
173.09674	3.2
173.13319	4.5
175.11205	4.5
177.09081	2.5
179.03342	3.3
179.10649	2.8
181.08701	2.3
183.10172	4.6
187.14859	2.3
189.12721	2.8
189.16428	16.8
195.10155	9.7
199.14853	3.0
201.16354	3.7
203.14394	3.7
207.13829	4.8
213.11185	3.5
215.14357	2.3
215.63826	2.1
219.13876	3.9
219.17375	4.5
220.17734	3.0
221.15346	3.6
225.14819	3.4
227.17943	5.2
233.15465	4.8
240.61609	2.3
245.15337	5.2
251.23164	2.1
265.19522	3.4
273.22150	2.8
283.20615	4.5
289.21527	6.3
291.23227	2.9
301.21628	20.7
303.23392	2.6
313.05927	3.5
315.07010	2.8
316.07358	3.4
319.22635	18.1
329.06506	3.6
330.06839	3.0
331.07086	6.2
337.23495	2.4
339.12231	7.3
375.25592	3.2
393.26276	25.0
399.14560	2.5
411.27365	7.8
417.15347	3.4
418.09134	5.1
433.17084	4.9
569.29553	4.9
587.30725	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.8
57.07080	83.9
59.05001	15.3
60.39783	1.7
69.07063	3.3
69.35937	12.9
70.28307	1.5
71.08634	72.4
73.06578	3.8
83.08628	3.5
85.10188	67.2
87.04454	9.9
89.06037	100.0
91.98272	1.4
98.20860	5.1
99.11739	7.2
103.07574	6.5
117.09152	2.4
122.22328	1.5
131.07062	5.6
133.08617	75.8
141.16400	6.0
161.13084	1.8
172.85138	1.7
175.09669	2.9
177.11238	33.2
188.31488	1.6
199.20561	7.5
221.13870	5.1
225.51201	1.8
239.14926	2.1
243.23177	4.6
265.16486	1.9
283.17435	1.8
327.20071	2.8
353.21802	2.5
371.22797	17.5
411.25681	1.8
560.53986	1.7
586.44666	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	586.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97076	0.7
53.03949	1.4
55.05510	2.9
57.03474	1.0
59.04996	1.1
67.05499	5.5
69.03428	2.7
69.07075	4.5
69.45200	4.6
70.06602	1.3
71.04994	12.4
73.06557	2.3
79.01862	1.4
79.05508	5.1
81.03402	3.7
81.07060	13.2
83.04989	1.9
83.08618	2.2
85.02908	3.6
85.06533	1.6
86.09635	0.8
91.05485	6.7
93.07043	12.4
94.06564	1.1
95.04956	1.4
95.08614	15.1
97.02892	1.5
97.06548	1.5
97.10179	1.2
99.08104	1.9
105.07031	14.5
107.01310	0.9
107.04967	0.8
107.08596	11.4
109.02882	2.9
109.06514	1.0
109.10160	7.5
109.81901	0.7
111.08025	0.9
113.09659	0.8
117.07072	1.2
119.08566	5.8
120.16973	0.8
121.02850	1.7
121.06505	1.5
121.10143	7.8
122.06030	3.2
123.11687	3.6
125.02393	2.2
125.09641	11.6
127.03932	4.8
127.07560	1.5
127.11217	2.3
129.51978	0.8
131.08601	2.5
133.10136	24.5
135.11688	2.1
137.06009	1.2
139.03952	1.1
139.11157	1.1
143.03439	4.0
143.08537	1.0
143.10667	14.7
145.10138	3.2
146.05940	0.9
146.10669	0.8
147.11690	6.4
149.13266	13.2
151.03914	0.9
151.11177	1.8
153.01836	100.0
153.02827	3.8
154.02153	5.5
157.10211	1.3
159.11673	3.9
161.13286	2.6
167.14320	42.6
168.06514	1.0
171.02898	10.2
172.03922	2.3
173.13271	1.4
174.05472	1.5
175.14861	0.9
181.04987	2.6
194.71396	0.7
201.16347	5.0
203.17976	1.2
204.06619	2.4
212.09128	1.6
219.17464	16.8
237.18344	1.3
268.40344	1.0
287.05511	1.2
297.06058	2.6
303.19315	1.0
311.05371	1.0
312.05878	2.4
313.11816	1.0
315.07095	24.7
325.70709	0.8
329.06509	1.6
330.06827	3.2
339.09525	0.9
341.11432	1.7
353.11594	2.0
354.06970	0.9
365.15939	1.9
371.12363	1.7
373.14020	1.0
385.13989	1.8
386.14584	2.4
416.10699	0.9
492.94730	0.9
522.18909	1.7
554.21075	3.0
586.28796	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70033	1.3
59.63481	1.5
71.50255	2.1
72.04526	3.6
85.02900	3.1
85.06584	2.0
90.05565	35.4
90.95338	1.4
95.04967	2.1
98.02441	5.4
103.07597	1.8
105.07060	2.1
113.06059	1.6
116.03475	6.0
118.06586	4.2
121.06502	3.2
124.07602	4.8
137.06047	3.1
142.08670	4.7
144.08096	2.6
146.06020	13.3
146.63925	1.6
153.01808	3.6
158.85789	1.5
159.09229	2.1
164.11234	1.4
166.08780	1.4
181.07225	1.5
184.09727	9.0
186.89233	1.6
188.07083	16.0
189.07480	5.0
202.10834	16.2
205.09766	7.9
206.10054	2.4
220.11827	100.0
236.29056	1.9
249.79639	1.5
271.38092	1.5
444.23456	1.7
463.63486	1.8
586.21790	1.5
610.70190	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97076	0.7
53.03949	1.4
55.05510	2.9
57.03474	1.0
59.04996	1.1
67.05499	5.5
69.03428	2.7
69.07075	4.5
69.45200	4.6
70.06602	1.3
71.04994	12.4
73.06557	2.3
79.01862	1.4
79.05508	5.1
81.03402	3.7
81.07060	13.2
83.04989	1.9
83.08618	2.2
85.02908	3.6
85.06533	1.6
86.09635	0.8
91.05485	6.7
93.07043	12.4
94.06564	1.1
95.04956	1.4
95.08614	15.1
97.02892	1.5
97.06548	1.5
97.10179	1.2
99.08104	1.9
105.07031	14.5
107.01310	0.9
107.04967	0.8
107.08596	11.4
109.02882	2.9
109.06514	1.0
109.10160	7.5
109.81901	0.7
111.08025	0.9
113.09659	0.8
117.07072	1.2
119.08566	5.8
120.16973	0.8
121.02850	1.7
121.06505	1.5
121.10143	7.8
122.06030	3.2
123.11687	3.6
125.02393	2.2
125.09641	11.6
127.03932	4.8
127.07560	1.5
127.11217	2.3
129.51978	0.8
131.08601	2.5
133.10136	24.5
135.11688	2.1
137.06009	1.2
139.03952	1.1
139.11157	1.1
143.03439	4.0
143.08537	1.0
143.10667	14.7
145.10138	3.2
146.05940	0.9
146.10669	0.8
147.11690	6.4
149.13266	13.2
151.03914	0.9
151.11177	1.8
153.01836	100.0
153.02827	3.8
154.02153	5.5
157.10211	1.3
159.11673	3.9
161.13286	2.6
167.14320	42.6
168.06514	1.0
171.02898	10.2
172.03922	2.3
173.13271	1.4
174.05472	1.5
175.14861	0.9
181.04987	2.6
194.71396	0.7
201.16347	5.0
203.17976	1.2
204.06619	2.4
212.09128	1.6
219.17464	16.8
237.18344	1.3
268.40344	1.0
287.05511	1.2
297.06058	2.6
303.19315	1.0
311.05371	1.0
312.05878	2.4
313.11816	1.0
315.07095	24.7
325.70709	0.8
329.06509	1.6
330.06827	3.2
339.09525	0.9
341.11432	1.7
353.11594	2.0
354.06970	0.9
365.15939	1.9
371.12363	1.7
373.14020	1.0
385.13989	1.8
386.14584	2.4
416.10699	0.9
492.94730	0.9
522.18909	1.7
554.21075	3.0
586.28796	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.2
53.87875	2.5
55.01864	2.7
55.05524	22.8
56.67532	2.5
57.03426	2.6
57.07082	15.3
59.04986	7.6
65.03944	5.4
67.05511	32.2
69.03432	5.8
69.07068	30.0
70.06590	2.9
71.04976	2.7
71.08626	9.6
71.51617	3.3
77.03930	4.5
78.39629	2.6
79.05498	40.6
80.21763	2.2
81.07063	50.9
83.04973	9.2
83.08620	12.9
85.06558	3.4
85.10168	7.0
89.06038	9.2
90.01906	4.4
91.05488	55.2
93.07051	74.7
95.04976	14.9
95.08614	46.0
97.06521	7.9
97.10225	3.9
105.04520	3.1
105.07043	88.7
107.08606	50.1
109.06512	8.0
109.10150	36.4
111.08059	4.7
115.05473	6.2
117.07037	17.6
119.06201	2.9
119.08585	100.0
121.06541	2.6
121.10149	63.5
123.08061	10.1
123.11696	12.2
128.06210	6.5
129.07011	12.5
130.07790	7.7
131.08578	30.7
132.09366	2.9
133.08598	3.6
133.10150	58.7
135.08063	4.1
135.11679	22.6
137.09642	8.0
139.11183	8.2
142.07808	14.5
143.08566	34.1
144.09312	8.4
145.10138	77.9
146.10486	3.8
147.08029	3.3
147.11705	35.9
149.09625	12.1
149.13284	4.5
151.11191	3.8
155.08563	12.2
156.09361	9.7
157.10138	42.7
158.10875	5.8
159.08015	4.1
159.11694	35.6
161.09607	4.8
161.13251	9.4
163.11186	6.1
165.09143	3.5
167.08569	4.9
167.10698	31.5
168.09377	7.0
169.10129	16.5
171.11671	24.7
172.12383	3.2
173.09792	3.1
173.13263	21.4
175.14769	18.2
175.71040	3.0
179.08537	3.9
181.10133	12.4
182.10895	6.2
183.11687	17.3
184.12157	2.7
185.13232	14.0
187.14825	11.6
191.14299	5.8
193.10172	7.0
195.11711	9.1
196.12288	5.8
197.13303	23.7
199.14839	10.7
201.16379	9.3
203.14206	4.0
207.11771	6.6
208.12297	3.1
209.13310	13.3
211.14774	10.8
213.16397	9.0
221.13249	8.4
221.15384	7.4
223.14766	9.7
225.16380	6.3
231.11650	3.1
233.13269	4.8
235.14761	5.7
237.16423	7.3
248.25285	3.0
249.16426	4.5
253.19707	3.6
257.18961	3.7
261.16235	4.3
265.19446	5.5
269.18851	3.2
273.18646	5.3
277.19586	4.5
311.29700	3.3
312.29565	3.6
363.27310	3.7
429.31409	3.3
567.41937	8.2
585.43890	18.0
585.55481	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	585.1239
Annotation	Myricetin 3-(2''-p-hydroxybenzoylrhamnoside)
Peak:m/z	Relative Intensity
51.02380	1.8
53.03523	0.4
53.03947	7.8
54.06981	0.4
54.71220	0.5
55.05514	0.7
56.05056	0.4
57.03446	1.0
59.90994	0.4
65.03941	0.7
65.56856	0.4
67.05524	1.1
68.82330	0.5
68.99796	1.6
69.03434	7.1
69.07059	0.7
70.06594	1.1
70.79484	1.3
71.04999	1.2
72.08157	0.8
77.03926	1.7
79.01869	0.5
79.05500	4.1
81.03423	16.8
81.07049	1.7
81.47925	0.5
84.08131	0.6
85.02912	5.1
86.09699	0.8
87.41161	0.5
91.05490	1.3
93.07053	1.4
94.08509	0.5
95.04972	4.5
95.08625	0.9
95.30772	0.4
97.02898	10.4
97.06520	0.7
99.04473	1.5
105.03397	88.6
105.04536	3.0
105.07041	1.2
106.03741	0.6
107.04974	0.9
107.08583	0.8
109.02881	8.8
109.06506	0.5
109.10169	0.8
111.00805	2.4
111.04494	0.5
119.08562	0.6
121.02846	1.3
121.06522	1.6
121.10164	1.0
123.04440	6.9
123.08017	0.8
127.03935	8.3
133.10136	0.6
137.02341	2.2
137.05966	0.9
139.03894	1.7
144.05624	0.6
145.04967	2.5
145.10095	0.6
151.03903	4.9
151.04973	0.6
153.01840	10.5
153.05466	0.8
165.01837	2.9
171.04361	0.5
179.03403	1.2
183.02873	1.2
189.05461	1.3
195.06529	0.5
201.05524	0.9
203.03409	0.7
217.04958	3.9
223.09544	0.5
238.52171	0.6
245.04448	4.9
249.07591	19.4
255.02991	0.6
256.34644	0.5
263.05566	0.7
267.08679	2.0
272.03198	0.6
273.03900	4.1
290.04318	1.1
301.03513	1.3
301.22180	0.5
303.04953	1.2
319.04498	100.0
320.04962	1.1
329.02737	0.5
359.14761	1.0
361.05405	0.9
405.26474	1.0
428.43256	0.6
581.63171	0.5
585.29572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1244
Annotation	Vitexin 2''-O-gallate
Peak:m/z	Relative Intensity
51.02390	0.7
53.72259	0.7
55.05496	0.9
60.97328	1.0
65.03958	0.8
69.03432	3.0
70.63555	2.3
79.01860	5.4
81.07047	1.9
83.04996	1.6
83.97288	0.7
85.02886	0.9
91.05469	1.2
93.07087	0.9
95.18153	0.7
107.01297	1.2
111.04448	2.6
115.41715	0.8
121.02876	17.3
121.10152	0.9
125.02358	2.6
139.03885	0.8
142.62791	0.7
143.03366	5.3
153.01845	100.0
153.02939	6.4
161.02351	0.9
177.01744	0.8
188.03879	0.9
201.01891	0.7
207.02911	3.3
210.19014	0.8
219.06493	0.9
228.23825	0.7
245.04480	1.5
255.06540	1.5
263.05472	1.0
281.06516	6.6
283.06049	7.7
286.04706	1.1
287.05350	3.7
297.07614	0.8
299.05212	10.5
300.06207	2.2
311.05527	25.4
312.31970	0.9
313.07135	0.9
325.07123	3.2
329.06573	29.6
341.06314	0.9
351.08997	0.9
353.06586	5.3
371.07498	1.2
374.21411	0.9
379.08133	5.1
397.09186	8.6
415.10211	8.2
433.11307	3.9
463.06573	0.9
481.07635	2.1
567.11462	1.2
585.12659	5.6
585.28418	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1243
Annotation	Myricetin 3-(2''-p-hydroxybenzoylrhamnoside)
Peak:m/z	Relative Intensity
51.02373	0.5
55.05500	0.7
55.06237	0.4
69.03446	0.6
69.67593	2.0
70.06618	0.5
79.01852	3.5
81.07056	0.4
83.04980	1.6
85.02917	0.5
97.02890	0.5
107.01317	0.7
111.04462	0.8
113.72972	0.4
121.02842	0.6
125.02367	1.9
143.03407	4.9
153.01839	100.0
153.02887	5.3
191.10846	0.5
205.38306	0.4
268.43265	0.4
287.05536	8.1
287.08517	0.8
299.07797	2.7
321.28183	0.4
375.81296	0.4
397.09418	0.6
488.81354	0.6
613.51721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1236
Annotation	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Peak:m/z	Relative Intensity
53.03942	1.1
55.01882	0.5
57.46679	0.3
63.83253	0.3
65.03942	3.7
67.01871	0.5
68.99787	0.8
69.03439	2.4
70.06599	0.4
70.33848	0.3
71.01363	0.3
71.04987	0.4
71.51014	0.7
73.02895	0.3
79.01877	0.3
81.03422	8.2
81.07045	0.6
84.08165	0.4
85.02905	2.6
86.09694	0.4
91.05475	0.6
93.03378	0.4
93.07038	0.6
95.04971	5.1
95.08606	0.8
97.02892	4.6
99.04453	0.6
105.26421	0.3
109.02896	3.2
109.10170	0.4
111.00782	0.5
111.04442	1.7
119.08620	0.4
121.02872	100.0
121.03891	3.0
122.03165	0.4
127.03932	2.1
133.10120	0.4
137.02322	2.3
139.03909	10.9
145.04942	0.9
151.03967	0.6
153.01834	9.6
153.02834	0.4
163.03883	0.3
165.01826	0.6
167.07098	0.5
171.02960	0.3
201.05533	0.5
207.89871	0.3
223.06294	0.3
229.04974	1.6
257.04459	1.5
265.07068	10.3
271.03073	0.5
271.06027	8.0
283.08170	2.5
285.03754	0.6
286.94150	0.3
287.05527	1.1
303.05005	78.7
304.05133	0.5
345.05859	0.5
461.92993	0.3
465.10428	0.6
585.12366	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.4
57.03439	2.1
57.07081	100.0
59.05006	51.6
62.21621	1.2
67.05503	5.5
69.07079	7.1
70.06581	3.1
70.58658	1.3
71.08637	95.4
71.51495	1.4
72.08135	1.2
79.05062	1.1
79.05491	4.7
81.07056	7.5
83.04964	1.4
83.08633	6.5
85.06545	1.6
85.10188	87.7
87.04469	2.2
89.06040	24.8
91.05499	7.4
93.07050	10.1
94.07404	1.5
95.04964	2.1
95.08620	8.9
97.06550	1.8
97.10163	3.3
99.08134	1.3
99.11744	10.6
101.09657	4.5
103.05486	1.4
103.07570	3.0
105.07032	14.1
106.07352	1.5
107.08611	6.5
109.10152	4.2
117.07025	3.7
117.09147	19.7
119.08606	12.6
119.44464	1.1
120.08921	2.3
121.06498	1.5
121.10151	5.9
123.08060	3.8
123.11726	1.6
124.08456	1.6
128.06224	1.5
129.07019	2.5
131.08606	6.9
133.08598	9.8
133.10138	6.1
135.08015	2.2
135.11732	3.2
137.09583	3.0
141.16377	9.9
142.07765	3.8
143.08537	6.2
145.10152	9.0
146.11784	1.6
147.08147	2.2
147.10222	1.6
147.11647	3.2
151.07574	2.6
151.77211	1.3
155.08536	1.8
156.09367	2.3
157.10141	8.7
158.10527	2.2
159.11684	6.3
161.52361	1.4
165.09109	4.0
169.10130	3.7
170.10670	1.8
171.11678	3.6
173.13304	3.1
175.14796	1.6
177.11234	8.2
177.80919	1.2
179.08562	1.3
181.10115	1.9
183.11670	4.3
184.12163	1.2
185.13284	2.0
185.99490	1.3
189.12776	1.7
193.10124	2.2
195.12305	7.5
196.12294	1.2
197.13213	3.9
199.14850	1.8
199.20576	24.0
201.05809	1.3
203.14304	1.6
204.14664	1.6
207.11656	2.9
209.13115	2.7
210.13716	2.2
211.14958	1.5
221.15395	8.7
222.13722	1.7
222.15727	4.2
224.15356	1.2
225.16551	1.7
233.13266	1.4
235.15222	2.1
253.16435	4.7
256.26340	2.2
257.24802	25.5
293.19601	1.1
300.29004	3.9
311.20599	1.8
311.29449	6.4
315.28986	1.5
404.30392	1.7
492.36124	1.4
504.35120	1.4
566.40253	5.2
584.41858	19.1
584.56171	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.2
55.05072	3.1
55.05500	15.1
57.07073	16.7
57.88104	3.3
67.05502	26.4
69.03423	4.8
69.07063	15.5
71.52460	5.7
79.05500	23.6
81.07066	34.2
83.05008	4.9
83.08628	7.5
85.06551	4.5
89.06039	25.3
91.05487	41.1
93.07048	42.1
95.04996	16.3
95.08624	35.1
97.06509	5.7
105.07039	52.3
107.04945	4.2
107.08600	37.6
107.46764	3.5
109.06533	8.4
109.10164	17.6
109.10788	3.5
115.05395	5.0
117.07012	20.0
119.08592	75.8
120.09384	6.2
121.06523	6.6
121.10147	23.6
123.08067	9.4
123.11734	5.2
128.06206	3.8
129.07028	16.0
130.07797	6.9
131.08577	30.6
132.09328	6.1
133.08612	13.6
133.10139	40.8
135.08064	12.9
135.11726	15.8
137.09607	9.4
141.06982	9.9
142.07826	19.7
143.08585	37.9
144.09338	12.4
145.10118	56.1
147.08049	18.8
147.11635	16.1
148.50145	3.7
149.09616	8.6
151.07568	7.3
151.11179	5.5
153.07054	4.9
155.08592	16.6
156.09326	14.2
157.10162	49.2
158.10960	11.1
159.08075	7.1
159.11708	30.6
160.08762	4.6
161.09586	10.8
161.13216	6.3
163.11177	13.2
165.09114	25.3
166.07813	3.9
167.08516	5.5
168.09348	7.0
169.10139	23.7
170.10852	13.3
171.11716	23.5
172.12389	5.3
172.44751	3.5
173.09631	6.7
173.13223	17.8
175.11206	13.8
175.14807	11.6
177.11220	4.1
179.08551	7.1
180.09357	4.4
181.10143	10.1
181.12251	7.2
182.10880	9.8
183.11681	25.2
184.12294	3.8
185.13345	19.5
186.13817	4.4
187.11206	5.4
187.14822	8.4
189.12782	7.5
190.13544	4.7
193.10098	5.4
193.12241	6.9
194.11006	3.3
195.11766	23.4
197.13263	23.0
199.11249	5.6
199.14775	5.2
201.12651	4.2
201.16397	5.6
203.14328	16.7
206.10876	4.5
207.11739	12.0
207.13805	9.8
208.12540	4.2
208.14563	5.2
209.13277	19.1
211.14832	12.3
217.15820	6.4
221.13396	6.8
221.15378	55.2
223.14839	16.6
225.16388	6.0
234.16159	8.3
235.14836	5.3
237.12779	5.2
237.16397	8.5
247.16927	11.5
249.16415	6.0
251.17900	5.4
253.15715	4.3
261.16260	4.2
263.18121	4.5
266.93884	3.9
274.19342	4.3
281.19156	4.0
283.17371	3.6
286.19318	3.8
293.66418	3.6
299.20056	12.1
311.29321	10.9
325.21619	9.5
337.21524	6.5
352.23981	67.8
365.24689	11.7
371.22623	5.4
391.26624	3.8
398.28040	10.2
404.30740	8.0
412.29886	16.6
438.31323	14.2
489.33893	7.7
491.35095	12.3
492.35416	6.8
504.36002	100.0
505.36594	4.7
546.86475	3.4
569.39294	4.6
584.41943	19.5
584.56140	26.1
607.93243	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	584.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01857	1.5
55.05525	7.3
57.07075	10.0
58.90337	1.5
59.04993	4.8
67.05512	15.2
69.03429	4.3
69.07067	12.0
70.00748	3.4
70.01153	4.8
71.08646	2.9
77.03947	1.9
79.05500	16.7
81.03436	1.7
81.07056	23.3
83.04985	4.8
83.08612	3.3
84.14758	1.3
84.88759	1.4
85.06543	5.9
85.10152	1.4
89.06058	8.4
91.04906	2.0
91.05486	35.2
93.07050	39.3
95.04971	6.7
95.08608	20.2
97.06545	3.6
97.10145	1.4
98.21390	1.7
103.05501	2.4
105.07038	55.3
106.07808	3.3
107.08600	34.2
107.09314	2.7
109.06542	7.2
109.10168	11.7
111.08080	1.6
115.05465	3.4
117.07030	14.2
119.04991	1.9
119.08587	67.8
120.09381	2.9
121.06520	4.2
121.10146	20.0
123.08106	11.5
123.11729	2.5
125.06007	2.5
125.09660	1.3
128.06271	8.8
129.07001	13.3
130.07784	5.2
131.08578	34.2
132.09302	2.8
133.06546	2.4
133.08611	5.4
133.10133	33.3
135.08041	10.4
135.11682	11.8
137.05969	1.7
137.09653	7.4
137.45578	1.4
139.11176	1.9
141.07001	5.2
142.07797	15.6
143.08582	27.9
144.09358	10.6
145.10132	46.9
147.08061	14.8
147.11696	12.9
149.09642	7.8
149.13263	1.9
151.07552	6.5
151.11211	2.4
153.06978	1.7
154.07802	2.5
155.08546	16.5
156.09383	14.1
157.10132	47.8
158.10913	7.8
159.08043	4.9
159.11722	25.1
159.39748	1.4
160.12390	2.7
161.09641	6.2
161.13289	9.2
163.11206	8.6
165.06998	3.3
165.09120	24.5
167.08577	5.5
168.09361	6.3
169.10110	18.4
170.10950	9.7
171.08054	1.6
171.11707	31.5
172.12457	7.3
173.09613	5.7
173.13264	18.0
175.11234	11.1
175.14818	8.9
176.11928	1.7
177.09206	2.0
177.12717	3.5
179.08562	5.2
179.10725	1.7
179.14211	1.8
180.09299	2.1
181.10135	11.6
181.12189	7.4
182.10957	6.0
183.11696	23.4
184.12424	3.1
185.09676	3.3
185.13255	17.0
187.11244	3.1
187.14844	5.9
189.12738	7.0
190.13547	4.8
191.10721	3.4
191.14299	2.0
192.09366	2.3
193.10179	7.5
193.12166	8.5
194.10974	6.2
195.11729	13.4
195.13324	2.1
196.12440	5.0
197.09654	2.3
197.13264	19.1
198.13956	4.1
199.11252	2.7
199.14886	7.4
201.12686	3.5
201.16426	4.0
203.14345	16.3
206.10909	2.5
207.11687	9.6
207.13824	8.4
208.12505	4.6
208.14621	6.8
209.09720	1.5
209.13269	11.9
210.14037	2.5
211.11150	2.9
211.14850	11.4
213.12752	3.0
213.16357	3.4
215.14305	2.9
217.15877	2.4
219.11719	1.5
219.13824	3.3
220.12628	1.5
221.13272	8.2
221.15343	52.2
222.15851	2.1
223.14865	9.7
225.12852	4.0
225.16365	3.3
227.14398	2.0
233.13283	3.5
233.15393	2.4
234.14133	2.5
234.16174	10.1
235.11263	1.5
235.14766	4.6
237.12764	5.7
237.16359	4.0
239.14308	2.3
239.18059	2.7
247.14787	2.4
247.16962	11.4
249.16463	3.9
251.14317	3.2
251.17953	2.1
253.15874	3.8
253.19603	2.0
257.19012	2.1
259.14679	2.4
259.17123	1.6
261.16278	2.6
263.14362	1.6
263.17981	3.9
265.16251	1.8
265.19302	2.1
267.17319	2.3
271.17081	2.8
273.16122	1.9
274.19171	1.7
277.15955	1.8
277.19559	1.5
279.20700	1.6
281.19028	4.1
286.19382	3.2
287.20135	2.4
289.19522	1.5
296.21423	3.4
297.18539	2.4
299.20169	10.6
300.20935	2.1
310.19543	2.0
311.29492	2.2
312.24457	3.0
319.20319	2.1
325.21613	10.1
337.21686	9.9
352.23999	67.3
365.24719	11.3
371.22556	2.1
378.25528	2.3
383.25916	2.8
391.26276	3.5
397.27258	2.8
398.28159	7.0
404.30841	7.1
411.28952	2.6
412.29645	16.1
425.30524	3.4
431.29065	2.0
438.31158	9.5
474.34708	2.3
489.33447	4.6
491.35217	10.3
492.35693	4.1
504.36032	100.0
505.36206	1.7
566.41492	2.1
569.39716	1.8
584.42163	20.4
584.56067	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	584.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93932	1.3
52.75144	1.4
53.03942	3.7
54.24246	1.5
55.05507	6.0
57.07083	12.3
59.04988	2.3
60.91714	1.4
67.05515	15.1
69.03426	5.1
69.07071	12.9
71.06838	2.7
71.08625	2.2
79.05500	21.2
81.03422	1.8
81.07061	24.4
83.04981	4.6
83.08633	4.5
85.06553	6.0
89.06056	3.3
91.05483	34.6
93.07050	41.9
95.04988	8.2
95.08614	22.6
97.06511	2.8
103.05455	2.8
105.07040	57.2
106.07862	2.6
107.08598	33.0
109.06525	8.7
109.10174	13.2
111.08076	2.0
115.05463	3.9
117.07014	16.9
119.08591	81.5
120.09339	5.3
121.06515	5.5
121.10149	25.1
123.08077	12.8
123.11715	3.8
125.06001	4.2
128.06238	7.1
129.07004	14.6
130.07761	5.8
131.08583	42.2
131.09541	3.3
132.09372	2.8
133.08635	2.7
133.10139	37.7
134.10934	2.8
135.08058	12.9
135.11716	13.2
137.05919	1.6
137.09627	10.1
139.07532	1.9
141.06967	6.8
141.53600	1.6
142.07794	13.4
143.08569	37.0
144.09355	9.8
145.10132	52.6
147.08070	17.7
147.11671	14.8
148.08778	1.8
149.09644	8.3
149.13292	1.9
151.07562	6.3
151.11244	4.1
153.06975	3.1
153.09195	2.4
155.08543	15.3
156.09349	13.8
157.10136	51.4
158.10930	12.6
159.08090	6.8
159.11711	34.5
160.12439	3.0
161.09644	7.1
161.13272	6.8
163.11183	10.4
165.07014	2.3
165.09120	27.7
166.07742	3.3
167.08528	7.4
168.09377	5.2
169.10149	19.2
170.10945	10.0
171.11688	29.6
172.12451	7.1
173.09641	4.9
173.13283	21.9
174.10486	2.4
175.11208	13.9
175.14894	9.8
177.12790	5.5
179.08556	9.0
180.09354	4.5
181.10121	11.6
181.12265	9.6
182.10867	8.2
183.11694	22.7
184.12527	4.4
185.09669	2.8
185.13257	18.0
186.14063	2.7
187.11177	2.9
187.14917	7.5
189.12758	6.4
190.13533	7.9
191.10629	2.6
191.14378	3.0
192.09331	3.3
193.10159	7.8
193.12184	7.5
194.10942	6.1
195.11700	16.3
195.13553	2.3
196.12437	5.9
197.09573	2.4
197.13234	16.7
198.10468	1.7
198.14035	2.9
199.11234	4.3
199.14769	5.7
201.12785	5.6
201.16473	3.2
203.14296	13.8
206.10963	2.9
207.11700	9.3
207.13821	9.9
208.12476	5.6
208.14590	5.9
209.13303	15.5
209.15186	2.5
210.14032	3.4
211.11177	3.4
211.14818	8.8
212.15559	2.1
213.12782	2.5
213.16423	3.1
215.14392	2.9
217.15907	2.3
219.11749	3.1
219.13802	3.0
220.12485	2.3
221.13274	9.4
221.15341	58.8
222.14005	2.5
223.14841	11.0
224.15617	2.1
225.12776	3.6
225.16414	4.3
227.14427	4.1
229.15901	2.5
233.13312	3.4
233.15402	3.6
234.14078	2.4
234.16171	11.3
235.14763	8.0
237.12813	6.6
237.16406	6.2
239.14407	3.5
239.17859	2.5
241.15993	2.0
245.13228	3.4
245.15523	2.0
247.14777	3.9
247.16985	9.9
249.16425	6.2
251.14273	2.2
251.17995	3.8
253.15871	3.2
259.14700	2.8
259.17099	2.6
261.16400	2.4
263.18027	4.3
265.16168	1.7
265.19525	2.4
267.17474	2.0
271.17117	2.1
271.20493	3.0
274.19299	3.1
276.18521	1.7
277.15796	2.2
277.19385	2.0
279.17450	2.3
281.18994	5.8
285.18518	3.1
286.19434	2.9
287.20291	3.0
296.21332	3.6
297.18585	2.7
297.21817	2.0
297.69989	2.0
299.20105	11.0
300.20761	2.6
309.18341	2.3
309.22174	1.8
310.19177	2.9
311.20071	2.3
312.20862	3.2
312.24030	2.9
313.21658	2.3
318.19724	1.7
319.20544	3.2
321.18286	2.3
323.20175	1.7
325.21600	11.1
337.21664	9.7
347.23764	1.7
352.23978	75.1
365.24811	17.5
376.27478	2.0
378.25488	4.1
391.26376	4.5
397.27359	3.8
398.28046	8.7
404.30688	8.3
411.28757	1.8
412.29745	13.6
425.30588	3.9
431.29730	2.4
438.31384	17.1
489.33542	6.3
490.34494	1.7
491.35233	13.5
492.35474	4.2
504.36029	100.0
505.36304	3.3
569.39880	3.8
584.42053	19.7
584.56311	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	584.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01868	2.2
55.05513	11.6
57.07080	19.6
59.04989	6.8
64.93568	1.7
65.03935	2.5
67.05511	15.0
69.03432	2.8
69.07063	8.1
69.25385	5.6
69.25800	12.0
70.06584	5.9
71.04974	2.0
71.08641	13.0
76.09692	2.0
76.54141	2.0
79.05502	17.7
80.35979	1.9
81.07069	23.6
81.53783	1.8
83.04964	4.3
83.08605	4.9
85.10161	10.6
87.04463	5.4
89.06039	100.0
91.05485	27.5
93.06485	2.6
93.07051	32.7
95.04981	12.5
95.08612	15.4
97.06522	2.5
102.09231	3.0
105.07040	45.4
107.08601	26.0
109.06506	6.4
109.10172	16.6
111.11702	2.1
115.05428	4.3
117.07043	17.2
117.09148	3.0
119.08588	46.5
121.06519	3.6
121.10153	26.8
123.08080	10.5
123.11724	4.6
128.06216	7.0
129.07013	11.2
130.07790	6.1
131.08577	29.8
132.09370	3.0
133.06416	2.6
133.08617	55.6
133.10118	27.7
135.08101	12.4
135.11691	9.4
137.09576	4.3
137.13235	2.0
141.07007	6.4
142.07787	13.1
143.08572	24.5
144.09341	6.7
145.06439	2.1
145.10127	36.8
147.08028	5.5
147.11726	16.3
149.09608	6.0
155.08548	11.7
156.09325	8.9
157.10124	26.9
158.10869	4.3
159.08067	4.5
159.11713	21.6
161.09592	7.4
161.13275	3.1
163.11156	2.4
163.14618	2.0
165.07047	4.5
167.08549	5.5
167.10744	2.3
168.09351	4.4
169.10117	15.2
170.10909	4.6
171.11728	16.5
173.09604	3.8
173.13257	11.8
175.14833	4.9
177.11255	23.5
178.70706	2.0
179.08478	4.8
180.09369	3.9
181.10159	9.7
182.10924	5.1
183.11740	15.8
185.13245	9.8
187.11243	3.8
187.14786	7.4
189.12762	3.5
191.14340	5.1
192.09363	3.5
193.10123	7.3
194.10950	5.9
195.11681	13.5
196.12436	5.0
197.13309	10.3
199.11166	3.3
199.14819	12.0
201.12749	2.4
206.10904	3.9
207.11681	5.7
209.13260	13.3
210.13988	2.6
211.14854	11.9
213.12767	2.4
213.16393	3.9
219.11710	3.2
221.13478	6.6
223.14896	5.5
225.12833	4.1
225.16408	3.9
227.14276	3.3
229.15883	2.4
233.13240	3.4
233.15379	5.6
235.14792	4.8
236.15466	2.2
237.16443	3.9
239.14757	2.5
239.17996	3.0
245.13152	2.5
246.14018	2.3
255.17418	13.8
256.26419	3.3
261.16455	3.5
263.18027	4.0
265.16437	2.4
270.19684	4.5
279.21054	2.2
281.19083	2.9
283.17471	4.3
285.18573	2.1
300.28998	5.8
311.29373	9.0
345.22208	2.2
349.25284	4.1
371.22818	27.5
492.36157	5.2
566.40222	2.6
584.42139	10.2
584.56061	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.8
53.61794	2.4
55.01870	2.9
55.05505	14.2
57.03430	4.1
57.06824	3.1
57.07081	31.2
59.04999	20.4
60.49280	2.9
65.03943	7.1
67.05508	27.1
69.03432	5.8
69.07056	14.8
70.06589	2.8
71.08641	22.9
73.74444	2.1
76.43217	2.4
79.05497	29.4
81.07066	32.7
83.08644	8.4
85.06542	6.4
85.10189	19.3
87.04462	2.6
89.06036	11.0
91.05486	59.5
92.06287	2.8
93.07049	68.4
95.04976	27.4
95.08617	35.0
97.06523	2.7
97.10165	3.7
98.21460	5.7
99.11765	3.6
100.43628	2.3
101.09659	4.3
103.07618	3.0
105.04517	3.1
105.07038	96.5
106.07872	5.4
107.04991	3.6
107.08601	55.2
109.06549	9.9
109.10168	26.8
110.10509	2.4
115.05437	8.7
116.06261	3.6
117.07012	22.9
117.09181	2.5
118.07832	3.6
119.08589	100.0
120.09370	5.5
121.06524	8.8
121.10159	38.2
123.08067	21.7
123.11735	9.5
125.09602	3.6
125.66430	2.4
128.06230	14.6
129.07018	25.9
130.07809	7.7
131.08577	57.9
133.06505	4.8
133.08620	4.5
133.10143	51.7
135.08076	15.3
135.11703	18.7
137.09650	10.2
138.10406	5.1
139.11131	2.7
141.07014	12.4
142.07817	23.9
143.08572	48.9
144.09328	11.2
145.10132	71.0
147.08064	9.5
147.11682	28.4
149.09662	10.2
149.13293	4.5
151.07576	6.9
151.11227	5.4
153.07001	8.3
154.07716	4.3
155.08575	20.9
156.09381	20.7
157.10143	62.6
158.10760	9.7
159.08075	15.1
159.11699	45.6
161.09637	10.2
161.13245	7.6
163.11230	5.5
165.07018	6.8
165.09132	9.7
166.07848	3.5
166.09439	3.3
167.08554	10.3
167.10710	3.4
168.09348	10.6
169.10136	29.8
170.10893	8.7
171.11722	32.4
172.08853	3.5
172.12430	7.1
173.09636	3.8
173.13290	32.1
175.11162	3.4
175.14824	18.3
177.12743	4.0
178.07811	3.8
179.08582	17.9
180.09279	4.8
181.10117	26.4
182.10953	11.2
183.11703	33.8
184.12462	6.6
185.09586	4.4
185.13280	18.8
186.13889	4.3
187.11224	6.7
187.14799	18.5
189.12730	8.0
189.16434	2.6
191.14259	3.1
192.09372	5.6
193.10083	12.9
194.10887	10.0
195.11705	20.6
196.12474	9.4
197.09724	3.0
197.13235	23.9
198.13800	7.5
199.11227	5.0
199.14835	11.8
201.12776	5.6
201.16440	7.9
202.38805	2.5
203.14365	11.5
205.10162	4.3
206.10872	4.8
207.11745	16.6
207.13757	6.4
208.12422	5.2
209.13257	26.9
210.13985	7.2
211.14813	17.4
213.12828	2.7
213.16437	3.0
215.14340	4.7
217.10156	3.3
217.15929	5.5
218.10863	2.7
218.16669	2.7
219.11641	6.5
219.17598	3.6
220.12367	5.2
221.13277	12.4
221.15410	16.9
222.13873	5.5
222.15797	7.3
223.11179	2.7
223.14789	13.9
224.15515	3.8
225.12688	3.0
225.16397	8.9
231.11729	4.6
232.12329	4.4
233.13269	6.8
233.15361	5.9
234.13852	2.8
235.14833	11.6
236.15547	4.3
237.16393	9.6
239.14441	3.6
239.17902	7.2
240.15141	2.8
247.14864	7.9
248.15590	4.0
249.16383	9.1
251.18098	5.0
253.16039	2.8
253.19440	3.0
255.17537	11.4
257.18942	2.5
257.24780	5.2
259.14706	3.6
259.20596	2.9
260.15305	2.6
261.16357	5.2
262.17004	3.1
263.18082	4.8
265.19659	4.6
271.20776	4.1
273.16238	4.4
275.17844	4.1
279.17703	4.5
281.18997	3.4
285.22269	2.7
291.20892	3.1
293.18961	4.0
295.20578	4.6
296.21100	3.6
297.22110	6.0
300.29080	5.9
311.29510	6.7
321.22165	3.6
323.23691	3.0
334.22791	3.1
335.23752	3.6
336.24579	3.2
349.25473	4.0
354.25571	12.6
446.31848	6.1
492.36075	8.0
566.40717	10.8
584.42029	58.5
584.55896	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	584.421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17593	1.9
53.03941	6.2
55.05512	16.1
57.07080	26.5
57.84267	2.1
58.07399	2.3
59.05010	13.1
65.03944	4.6
67.05503	23.5
69.03426	7.0
69.07074	17.6
69.17694	13.3
69.18119	7.9
70.06601	4.3
71.08640	15.1
77.03981	2.3
79.05501	22.2
80.05822	2.5
81.07065	40.0
83.04986	5.1
83.08633	8.8
85.06539	6.5
85.10197	14.0
87.04482	2.4
89.06017	8.5
91.05485	47.2
93.06477	4.1
93.07053	59.4
95.04990	16.8
95.08614	46.1
96.08908	4.8
97.06519	4.0
103.05463	4.2
104.79886	1.9
105.07039	79.3
106.07276	2.7
107.04962	5.4
107.08607	41.5
108.08943	3.0
109.06533	9.6
109.10154	20.3
115.05477	4.9
116.06227	2.5
117.07037	20.4
119.08589	85.3
120.08858	5.2
120.21717	2.0
121.06538	8.7
121.10152	42.1
122.10440	3.0
123.08058	22.0
123.11728	7.2
124.08446	3.2
125.09696	2.3
128.06247	10.2
129.07043	22.9
130.07800	7.1
131.08572	45.5
131.09525	3.0
132.09119	2.2
133.06496	4.5
133.08609	4.3
133.10133	43.3
134.10507	4.6
135.08063	13.8
135.11684	20.0
137.09636	9.2
138.10364	4.2
141.06947	10.4
142.07788	19.6
143.08585	36.9
144.09309	8.9
145.06451	3.1
145.10136	51.1
147.08057	19.2
147.11705	17.2
148.08574	3.5
149.09607	9.5
149.13292	3.7
151.07535	16.2
151.11259	3.3
152.07932	5.7
153.07080	3.1
154.07803	2.7
155.08603	16.2
156.09357	17.2
157.10139	52.7
158.10658	11.3
159.08136	11.8
159.11690	35.9
160.08665	2.3
160.12100	5.5
161.09650	9.9
161.13277	6.6
163.11214	7.6
165.07021	6.8
165.09122	20.8
166.09467	6.3
167.08568	9.2
167.10725	2.6
168.09306	5.4
169.10156	21.7
170.10841	9.6
171.08156	3.3
171.11678	39.3
172.12253	7.3
173.09689	5.7
173.13263	21.5
174.13739	3.2
175.11212	3.9
175.14838	18.8
177.12840	3.9
179.08621	10.0
180.09392	5.2
181.10155	15.7
181.12320	2.4
182.10857	8.7
183.11687	26.1
184.12383	7.2
185.13277	18.5
186.13675	5.1
187.11244	6.4
187.14877	13.7
189.12802	7.3
190.13399	2.4
191.14336	4.5
192.09384	3.2
193.10208	12.5
194.10893	12.1
195.11711	20.9
196.12370	10.5
197.13310	22.0
198.13754	4.9
199.11168	6.0
199.14877	10.3
201.12770	3.8
201.16582	2.8
203.14343	14.0
204.14757	3.7
206.10962	4.4
207.11755	15.1
207.13823	7.5
208.12363	8.0
208.14204	2.5
209.13290	23.8
210.13857	7.1
211.14819	15.1
212.15466	3.6
213.12801	2.7
213.16341	5.4
215.14323	3.0
217.15927	3.6
218.16565	3.1
219.11626	4.5
219.17508	3.7
220.12486	8.1
221.13260	12.7
221.15445	40.2
222.13943	3.5
222.15775	20.1
223.11403	2.1
223.14821	15.8
224.15341	3.3
225.12813	2.9
225.16423	7.4
226.17029	3.0
227.14526	3.0
231.11740	5.2
231.17580	3.1
232.12314	3.7
233.13261	8.2
233.15500	7.2
234.13962	4.1
235.14873	9.5
237.16443	6.9
239.17874	4.5
241.15945	4.2
245.13274	3.9
246.13913	3.6
247.14783	6.7
249.16455	6.1
250.17159	2.9
252.18306	2.5
253.16197	3.7
255.17441	16.8
257.19019	3.1
257.24701	5.4
259.14841	3.7
259.20670	2.7
261.16467	6.3
262.16864	2.8
263.18115	4.6
265.19525	5.5
268.18384	2.4
269.19009	3.0
273.16541	2.7
275.17957	7.0
277.19577	3.5
279.17349	2.6
281.18860	2.9
283.20679	3.8
284.21170	3.3
285.22119	3.7
295.20770	4.6
296.21207	3.7
297.22339	6.2
298.22470	3.8
300.29105	5.3
306.07330	2.3
311.29465	3.9
319.20535	2.4
336.24460	2.8
349.25137	3.3
354.25424	7.0
358.26392	2.4
365.24960	2.6
375.26724	4.2
376.27145	5.0
386.29269	3.0
403.30023	3.2
404.30560	9.7
446.31790	3.3
492.36240	6.8
504.35779	6.4
531.55096	2.4
548.39886	3.6
566.40704	35.1
566.48773	3.9
571.42932	2.3
584.41937	100.0
584.55786	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	584.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.5
60.35106	0.3
62.70914	0.3
64.45406	0.3
70.06592	0.4
71.50906	0.4
79.01851	0.5
82.15062	0.3
84.08147	0.3
84.51305	0.3
85.02888	0.4
91.05479	3.4
93.07054	4.6
95.04967	1.0
97.02937	0.4
103.05473	2.4
119.04964	0.6
121.06511	100.0
122.06845	1.2
138.09099	0.5
139.03966	0.4
143.03439	0.7
144.85524	0.3
147.04414	1.1
153.01833	17.8
153.02798	0.7
165.05499	7.2
201.72806	0.3
273.07578	12.5
274.07880	0.3
290.10239	25.5
291.10504	0.6
291.87338	0.3
308.11240	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	3.0
53.03933	7.0
54.43358	2.4
55.05518	13.0
55.05750	2.2
57.03419	2.5
57.07076	34.2
59.05003	15.4
65.03946	3.6
67.05510	21.9
69.03428	5.1
69.07072	16.0
71.08630	17.2
71.51851	2.5
74.43624	2.1
79.05495	27.6
81.07064	38.7
82.07366	2.3
83.04988	7.6
83.08619	7.9
85.06550	6.1
85.10174	12.5
89.06036	5.3
91.05489	51.7
92.05827	3.6
93.07050	64.2
94.07345	4.5
95.04982	16.3
95.08614	35.6
97.06529	4.9
97.10249	3.0
101.09608	3.5
103.05482	4.8
103.07536	2.3
103.75159	2.4
105.07035	84.0
106.07328	5.4
107.04951	3.5
107.08601	47.7
108.05750	2.7
108.08916	3.5
109.06525	8.3
109.10177	21.0
111.39596	2.0
115.05481	7.1
117.07000	24.5
119.06051	2.0
119.08593	89.6
120.09505	2.5
121.06502	8.4
121.10155	45.8
122.10506	4.0
123.08082	23.4
123.11728	6.5
124.08385	3.4
128.06227	12.5
129.07011	20.7
130.07787	7.6
130.19273	2.4
131.08580	52.0
132.09352	3.4
133.08595	4.1
133.10127	38.5
134.10583	2.5
135.08061	13.9
135.11703	16.5
137.09636	12.1
138.10297	3.0
139.11182	2.2
141.06989	12.5
142.07831	22.4
143.08585	42.6
144.09409	11.1
145.06493	4.8
145.10133	61.6
147.08031	16.0
147.11685	17.5
148.08461	4.2
149.09659	7.1
149.13245	2.5
151.07562	14.5
152.07910	3.8
153.07043	7.5
154.07816	3.8
155.08571	26.0
156.09361	18.2
157.10149	52.8
158.10732	9.1
159.08075	12.0
159.11705	35.5
160.12102	3.9
161.09654	8.7
161.13286	9.3
163.11186	6.4
163.14821	2.5
165.07024	8.2
165.09128	23.8
166.07841	5.4
166.09488	6.9
167.08589	11.6
167.10773	3.1
168.09348	6.6
169.10149	29.1
170.10883	8.6
171.11708	34.4
172.12009	4.3
173.09738	4.4
173.13263	29.0
175.11255	5.7
175.14848	11.5
177.11234	3.1
177.12694	3.2
179.08543	15.4
180.09383	8.2
181.10126	23.9
182.10898	9.0
183.11720	25.7
184.12357	8.7
185.13266	23.4
186.13800	5.8
187.11191	5.6
187.14839	14.5
189.12767	9.4
190.13293	3.4
191.14345	3.9
192.09372	4.2
193.10110	10.2
194.10844	10.1
194.26828	2.4
195.11667	24.5
196.12347	10.9
197.09563	2.7
197.13304	25.1
198.13734	5.0
199.11205	4.6
199.14835	12.0
201.12799	3.9
201.16386	5.5
203.14305	13.2
204.14760	6.5
205.10095	4.3
206.10863	8.8
207.11731	16.9
207.13853	6.5
208.12416	8.9
208.14270	2.4
209.13278	22.3
210.13829	6.3
211.14825	14.0
212.15291	4.5
213.12834	3.0
213.16449	4.3
217.15926	3.2
218.10950	3.2
219.11740	7.1
219.17413	3.9
220.12491	7.1
221.13272	11.9
221.15448	40.5
222.13815	5.1
222.15775	20.8
223.14795	11.9
224.15356	5.4
225.12762	3.4
225.16420	6.5
227.14346	2.4
231.11693	5.7
231.17390	2.9
233.13263	5.7
233.15483	8.4
234.13939	4.4
235.14845	9.7
236.15428	2.6
237.16402	9.6
238.17081	3.0
239.17952	7.6
241.15985	2.9
245.13155	5.7
247.14838	7.2
249.16385	8.5
250.17050	2.6
251.18059	4.2
253.15860	3.1
253.19505	3.4
255.17372	11.7
257.19070	4.2
257.24829	4.7
261.16351	5.0
262.17093	4.0
263.18039	5.0
265.19559	6.5
269.19067	4.9
270.19815	3.8
275.17838	4.5
279.21033	3.4
283.20691	4.0
284.21124	3.4
295.20734	5.0
297.22131	4.5
298.22580	2.8
300.29105	2.6
311.29553	6.0
321.22028	5.1
345.21710	2.9
349.25446	4.7
354.25665	4.1
357.25488	2.9
360.24594	3.3
375.26508	3.0
376.27124	4.9
403.30035	4.4
404.30563	6.9
446.32059	3.8
470.22675	2.6
492.35947	3.9
504.35962	5.2
510.34406	4.4
532.20160	2.3
548.38904	4.4
566.40765	33.9
572.02856	2.7
584.41882	100.0
584.55420	15.9
585.42273	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43103	2.4
53.03944	7.2
53.15397	2.7
55.05522	19.0
57.07086	22.4
59.04996	7.5
61.64135	2.2
65.03937	4.9
67.05507	36.7
69.03426	11.1
69.07079	21.5
70.64037	6.6
71.08630	5.7
79.05502	27.7
81.07061	35.4
83.04979	8.6
83.08620	14.2
85.06560	7.7
85.10185	8.2
89.06008	4.9
91.05484	57.9
93.07048	68.3
95.04972	14.3
95.08610	35.9
97.06545	5.9
103.05480	5.5
105.04515	4.7
105.07037	79.1
107.08598	57.1
109.06503	12.3
109.10145	22.2
111.08082	3.7
111.11787	3.0
115.05448	8.2
117.07035	19.8
119.06026	3.1
119.08588	100.0
121.06485	4.2
121.10151	43.6
123.08105	16.0
123.11697	8.0
125.05978	4.7
125.09605	3.3
128.06229	18.7
129.07007	20.0
130.07837	6.7
131.08571	48.8
133.06502	3.2
133.08636	3.8
133.10141	50.4
133.70442	2.5
135.08054	12.6
135.11717	19.8
137.09636	12.5
141.06990	10.6
141.08014	3.1
142.07782	29.9
143.08574	49.0
144.09384	7.4
145.10144	49.9
147.08035	15.3
147.11688	17.3
149.09631	8.8
149.13254	2.8
151.07539	15.5
153.07002	8.6
153.60420	2.9
154.07811	3.3
155.08582	20.4
156.09367	22.9
157.10141	57.9
158.10910	11.3
159.08029	3.7
159.11685	26.8
161.09616	5.8
161.13286	9.3
163.11243	7.2
165.07018	7.1
165.09135	27.1
166.07872	4.5
167.08583	11.5
167.10684	15.8
168.09370	9.8
169.10132	34.7
170.10919	11.3
171.11685	37.8
173.09677	4.1
173.13269	27.7
175.11189	6.0
175.14865	8.7
178.07825	3.3
179.08656	16.1
180.09360	6.9
181.10120	18.0
181.12227	5.9
182.10907	9.4
183.11720	34.9
184.12463	9.4
185.09706	3.8
185.13234	16.7
187.14841	8.0
189.12732	6.7
191.14349	8.1
192.09409	7.4
193.10143	19.3
194.10895	10.2
195.11696	22.7
196.12505	8.0
197.13266	23.8
199.14793	23.9
201.16484	3.3
203.14308	9.6
204.09357	2.8
205.10156	5.8
206.10947	7.3
207.11751	21.0
207.13632	5.7
208.12495	7.8
209.13284	31.3
209.15222	5.3
210.13962	5.0
211.14832	13.2
213.22325	3.5
217.16035	12.1
218.10979	4.4
219.11731	13.2
220.12489	9.2
221.13258	15.9
221.15405	49.6
222.13948	5.9
223.14777	15.4
224.15538	4.5
225.16454	8.3
227.14389	4.4
230.10831	4.2
231.11737	6.8
231.17416	4.3
232.12473	6.7
233.13246	11.3
233.15353	7.9
234.13895	3.3
235.14803	10.3
237.16335	6.7
239.14526	3.3
239.17937	6.8
243.11746	4.5
244.12515	2.7
245.13280	11.3
246.14017	7.0
247.14835	10.8
249.16516	12.5
251.14287	3.2
251.17831	6.8
257.13272	4.5
257.19055	7.8
259.14697	6.2
260.15552	6.1
261.16373	12.8
263.17911	8.2
265.19489	5.2
267.17429	2.7
269.19101	4.6
271.14749	3.4
273.16229	5.6
274.17200	3.5
275.17783	15.0
277.19507	7.7
281.18890	3.6
283.20551	17.3
287.20309	5.4
289.19391	3.4
293.18918	4.6
295.14783	2.9
303.20737	3.7
321.22205	3.1
331.24252	6.8
333.22208	2.9
347.24002	3.3
349.25214	9.3
361.25299	3.1
375.26868	7.6
379.26028	3.1
403.30008	5.1
423.29050	2.8
464.96771	2.8
491.34863	4.2
544.00000	2.5
547.39325	4.3
565.40460	18.5
583.41504	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98919	1.4
53.03946	2.5
55.05519	8.2
57.07089	7.9
59.04999	2.8
67.05509	16.0
69.03425	5.1
69.07087	7.5
69.70580	1.6
70.96125	1.7
70.96449	3.9
73.25250	1.6
79.05502	12.9
79.89657	1.5
81.07059	18.0
83.04990	2.4
83.08626	2.9
83.51387	1.4
85.06541	4.0
91.05489	19.3
93.07053	29.0
95.04978	3.4
95.08618	28.0
97.06523	3.2
97.44205	1.6
103.05480	2.0
105.07043	41.9
107.04961	2.7
107.08601	19.3
109.06531	4.3
109.10163	8.5
111.08155	2.4
117.07032	8.6
119.08591	37.0
121.06535	3.3
121.10159	20.5
123.08080	20.4
123.11736	2.5
125.05952	1.5
128.06265	5.0
129.07007	5.8
130.07884	2.1
131.08586	14.2
133.06531	2.6
133.10130	18.2
135.08122	8.4
135.11653	4.5
137.09604	11.7
141.07021	4.2
142.07797	10.6
143.08560	16.0
144.09320	3.5
145.10129	18.1
147.08051	17.6
147.11719	5.4
147.24495	1.4
149.09628	3.8
151.07561	22.9
153.69327	1.5
155.08562	7.4
156.09364	10.5
157.10152	29.9
158.10983	2.5
159.08040	2.3
159.11703	14.1
161.09627	4.0
161.13255	5.2
163.11247	5.3
165.07008	2.4
165.09122	37.9
167.08604	4.6
167.84927	1.6
169.10136	14.3
170.10951	5.0
171.11705	17.0
172.39378	1.9
173.09683	2.5
173.13307	8.0
174.10510	2.3
175.11220	4.0
175.14847	4.1
177.09122	2.2
179.08589	5.4
180.09360	2.7
181.10159	10.1
181.12225	2.8
182.10881	4.6
183.11737	11.6
185.13321	15.0
187.11226	2.8
187.14894	4.0
189.12807	6.6
191.14301	2.2
192.09331	1.8
193.10150	7.4
194.10966	2.4
195.11758	11.8
196.12602	2.6
197.13316	12.2
199.14833	4.5
203.14345	17.1
206.10811	3.4
207.11728	8.4
207.13872	7.7
208.12556	3.8
209.13313	7.3
209.15335	2.2
211.14888	5.7
213.16428	2.4
218.10927	1.8
219.11754	4.5
220.12427	3.1
221.13297	8.8
221.15356	63.6
222.14059	3.5
223.14896	6.7
225.16541	2.7
227.18233	1.6
229.15854	2.6
231.11620	2.3
231.13879	1.8
231.17418	2.2
232.12466	2.2
233.13335	3.5
235.14879	6.9
237.16458	5.3
239.18077	2.0
245.13358	4.4
246.14206	2.1
247.14833	2.2
249.16504	5.7
251.18015	3.2
253.19504	2.6
257.19046	2.1
258.14105	2.2
259.14978	3.9
261.16495	2.0
265.19641	3.5
269.18985	2.2
271.20737	3.4
273.16373	2.5
277.19470	2.0
279.21103	2.7
283.20630	5.0
295.20581	4.5
297.22122	6.4
315.20996	2.0
349.25452	3.2
352.24069	2.6
357.25815	2.5
365.24789	3.8
375.26865	6.8
385.28900	2.3
403.29941	11.6
464.96729	1.7
491.35110	3.7
503.35553	7.2
509.34177	3.7
547.39270	2.7
565.40558	31.5
583.41479	100.0
584.42041	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.4
52.51860	2.4
53.03937	7.0
55.05509	20.2
57.07075	36.9
59.04993	9.8
63.32887	2.5
65.03935	4.7
67.05186	2.5
67.05507	26.6
69.03422	8.7
69.07069	24.9
69.19134	20.6
71.08639	19.9
72.16220	2.1
79.05498	31.5
81.07052	35.1
83.04983	6.6
83.08640	13.1
85.06523	5.4
85.10174	18.1
87.04463	8.6
89.06020	28.1
91.05477	51.5
93.07042	74.0
95.04987	12.8
95.05491	2.1
95.08610	37.2
97.06517	7.8
98.21132	12.2
103.05460	5.7
103.07563	2.4
105.04583	3.0
105.07027	78.0
106.49399	2.4
107.08593	52.4
109.06516	7.9
109.10155	25.4
111.08055	5.1
113.09648	3.5
113.91027	2.5
115.05454	6.6
116.06234	2.6
117.07019	19.9
119.08584	100.0
121.06515	6.2
121.10136	61.1
123.08054	13.9
123.11710	5.8
125.09646	5.4
128.06238	11.9
129.07005	19.9
130.07805	8.0
131.08565	35.1
133.06570	3.6
133.08647	17.8
133.10132	45.0
135.08058	10.2
135.11723	15.7
137.09639	9.1
139.11192	4.3
141.07013	10.6
142.07776	28.1
143.08572	46.8
144.09357	10.6
145.06396	2.4
145.10126	66.6
147.08061	10.6
147.11687	19.9
149.09584	11.9
151.07558	8.0
151.11174	3.0
153.07022	7.1
154.07748	4.4
155.08554	16.4
156.09389	19.1
157.10126	62.8
158.10938	8.8
159.08089	10.6
159.11702	39.6
161.09647	6.8
161.13289	6.2
163.11234	6.3
165.07051	9.9
165.09096	14.3
166.07790	3.0
167.08629	13.7
167.10690	55.7
168.09375	6.5
169.10126	37.7
170.10893	10.8
171.11694	35.0
173.09749	4.1
173.13258	26.0
175.11148	3.0
175.14917	9.9
176.91913	2.4
177.11259	4.0
179.08554	13.2
180.09427	7.8
181.10136	15.8
181.12270	5.5
182.10927	10.3
183.11674	26.9
184.12434	5.6
185.09663	2.7
185.13229	19.4
187.11172	3.3
187.14854	7.5
189.12793	6.6
191.08516	3.7
191.14337	8.2
192.09395	6.3
193.10162	14.8
194.10954	10.5
195.11678	23.5
196.12483	6.7
197.13237	26.5
199.14859	23.3
201.12755	3.4
201.16376	3.7
203.14392	8.7
205.10095	3.4
206.10950	6.7
207.11722	20.7
207.13643	4.7
208.12535	6.5
209.13271	23.7
211.14793	12.0
213.16364	4.8
215.14400	5.8
217.10262	3.5
217.15907	18.0
218.10931	4.4
219.11694	10.2
220.12379	5.7
221.13284	16.5
221.15448	24.5
222.14072	4.5
223.14790	14.0
225.16391	8.2
229.10107	3.1
231.11806	5.1
232.12575	5.6
233.13257	10.9
233.15472	18.0
234.14030	3.6
235.14772	16.4
236.15681	3.0
237.12643	3.7
237.16447	11.6
239.18105	5.6
243.11746	3.5
244.12379	3.2
245.13284	7.6
246.14157	4.2
247.14890	9.5
248.15570	4.4
249.16382	7.9
251.17903	4.5
257.13245	4.0
257.19116	3.8
259.14792	4.5
261.16409	7.5
263.17920	8.2
265.19580	6.1
269.19067	5.8
273.16306	3.4
274.17197	4.3
275.18082	10.6
277.19482	3.5
281.19235	4.3
283.20584	11.7
289.19617	2.8
295.20724	3.1
299.20233	5.0
309.22302	3.3
311.20361	3.0
331.24170	4.8
343.24310	3.5
347.23566	2.9
349.25293	7.0
357.25949	2.8
361.25427	5.1
377.25436	2.6
403.29788	2.7
428.90411	2.4
491.35223	4.2
565.40643	16.7
583.41473	80.8
609.00452	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	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.2
55.05513	9.5
56.30782	1.1
57.07085	9.1
59.05008	2.8
65.03945	1.4
67.05514	17.2
69.03437	5.9
69.07076	11.1
71.05003	1.3
71.06564	1.2
71.06886	1.5
79.05497	16.6
81.07068	21.2
83.04989	2.3
83.08627	5.4
85.06544	5.9
91.05492	29.3
93.07050	39.8
93.07638	2.3
95.04960	5.6
95.08614	24.9
97.06551	2.7
97.10166	0.9
103.05496	2.3
105.04535	1.5
105.07040	43.3
107.04940	2.1
107.08599	30.3
109.06533	7.3
109.10170	16.0
111.08082	2.4
115.05464	3.0
116.06280	1.8
117.07033	9.4
119.06144	1.3
119.08591	62.3
120.09389	1.6
121.06519	5.0
121.10162	26.3
123.08076	16.0
123.11735	3.7
125.06017	2.2
128.06230	6.4
129.07019	11.5
130.07803	4.0
131.08577	19.8
133.06519	3.7
133.09138	1.6
133.10139	30.5
135.08081	10.1
135.11729	15.3
137.09637	9.3
139.07607	1.4
141.06998	5.6
142.07791	11.3
143.08582	21.5
144.09380	5.6
145.06538	1.3
145.10143	37.4
147.08047	17.3
147.11687	9.3
149.09608	6.3
149.13281	3.0
151.07571	16.5
153.07051	2.7
154.07826	1.9
155.08543	10.3
156.09369	9.2
157.10138	29.1
158.10928	3.3
159.08141	2.8
159.11710	19.5
161.09645	7.1
161.13284	6.6
163.11206	6.2
165.07013	2.9
165.07675	1.6
165.09123	27.5
167.08588	6.1
168.09360	5.4
169.10172	15.7
170.10956	5.9
171.11702	19.3
171.13145	1.2
173.09676	3.4
173.13243	13.6
175.11348	1.9
175.14830	10.6
177.09151	2.3
177.12733	1.6
179.08548	6.4
179.10732	1.5
180.09402	2.8
181.10123	9.2
181.12282	4.3
182.10919	3.3
183.11729	18.9
184.12463	1.4
185.09735	1.5
185.13319	12.2
186.13942	1.1
187.11182	2.3
187.14792	6.8
189.12755	6.0
191.10727	1.9
191.14407	3.4
192.09389	2.4
193.10179	7.9
193.11954	1.5
194.10945	5.9
195.11725	13.0
195.13623	2.0
196.12529	4.9
197.09689	1.6
197.13274	14.0
198.13817	1.3
199.11209	3.0
199.14838	6.6
200.57910	1.2
201.12859	2.1
201.16467	4.0
203.14291	11.6
205.10199	1.5
205.15901	2.1
206.10919	3.4
207.11760	8.3
207.13892	8.0
208.12543	3.6
209.13312	13.5
209.15204	1.4
210.14024	1.8
211.11256	2.0
211.14812	8.3
213.12773	2.4
213.16469	3.0
217.10202	1.8
217.15948	1.7
218.10852	1.6
219.11749	3.2
220.12479	2.9
221.13298	7.6
221.15350	54.7
222.14087	2.1
223.14771	8.0
224.15717	2.2
225.16420	4.1
227.14297	2.7
231.11720	1.9
231.13855	1.9
232.12520	1.8
233.13297	4.6
235.14882	8.3
237.12758	2.0
237.16350	5.8
239.14215	1.1
239.17934	3.1
241.19566	1.6
245.13216	2.9
246.14078	2.1
247.14867	3.7
247.17035	3.2
249.16518	5.8
251.17934	2.4
253.15881	1.4
257.19055	1.9
258.13928	1.3
259.14911	4.0
259.20737	1.4
261.16443	1.7
261.18964	1.2
263.17957	2.6
265.19659	3.7
271.20758	1.3
273.16342	2.3
275.17941	2.7
277.19424	1.6
279.17636	1.3
281.41577	1.3
283.20575	9.6
285.22034	1.6
286.19461	1.7
287.20166	4.2
291.21133	1.8
297.22235	2.7
299.20062	2.5
309.22437	1.8
324.81204	1.1
325.21570	1.7
331.34198	1.1
349.25320	5.5
357.25879	1.3
364.24033	2.8
375.26956	4.5
377.24738	2.0
385.27945	2.4
390.25735	1.7
399.28925	3.4
403.29910	3.0
425.30615	3.8
464.33093	2.5
477.33881	1.9
491.35233	57.4
503.35147	1.5
503.49841	1.3
527.35315	1.3
565.40424	7.8
583.41510	100.0
584.41846	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
55.05515	15.2
57.07080	6.6
65.03938	3.5
66.05347	2.6
67.05505	16.4
69.03428	4.9
69.07082	17.8
79.05500	27.7
81.07059	36.8
83.04990	4.6
83.08626	11.5
85.06521	4.7
91.05482	50.2
93.07049	49.4
93.86586	2.5
95.04955	5.9
95.08612	34.4
97.06530	5.3
98.21528	8.3
100.35776	2.6
103.05482	4.8
105.07034	62.1
107.08605	40.0
109.06554	7.0
109.10187	22.8
115.05457	3.5
117.07026	12.8
119.08590	71.0
121.06528	4.8
121.10154	48.6
123.08117	14.5
123.11736	6.2
125.09647	4.2
128.06236	8.3
129.06992	19.3
130.07817	5.1
131.08557	26.3
133.10129	32.2
135.08064	7.6
135.11707	15.9
137.09610	6.6
141.06995	9.4
142.07759	21.2
143.08578	31.2
144.09360	5.7
145.10129	42.5
147.08058	10.0
147.11723	14.0
149.09616	7.9
151.07567	9.6
153.07043	6.1
154.07809	6.1
155.08545	13.1
156.09367	16.9
157.10127	41.3
158.10915	7.3
159.08060	4.5
159.11725	23.6
161.09566	6.3
161.13293	8.5
163.11227	4.3
165.07008	7.8
165.09087	15.6
167.08568	8.8
167.10681	36.3
168.09401	4.0
169.10165	24.0
170.10893	7.0
171.11723	27.3
173.13261	17.9
175.11234	5.5
175.14865	10.5
179.08588	8.6
180.09387	4.9
181.10147	17.4
181.12253	3.0
182.10980	7.0
183.11726	24.8
185.09694	2.9
185.13260	16.8
187.14880	7.2
189.12843	7.4
191.14352	8.0
192.09381	6.1
193.10138	10.0
194.10944	9.7
195.11729	18.5
196.12440	5.3
197.13316	16.6
199.14833	12.0
201.16489	4.5
203.14288	7.5
206.10991	5.5
207.11737	16.4
207.13910	9.4
208.12556	6.6
209.13303	20.7
211.14854	9.1
213.16344	4.9
217.15897	6.6
219.11713	7.8
220.12608	4.3
221.13269	17.5
221.15424	26.6
222.14055	3.6
223.14833	16.1
225.16423	4.8
227.14366	3.5
232.12494	5.4
233.13274	8.7
233.15465	10.3
234.14056	4.8
235.14871	10.9
236.15869	3.4
237.16373	7.8
239.17937	4.3
241.16028	4.6
244.12514	3.8
245.13257	7.2
246.14201	4.8
247.14850	10.9
247.17146	4.5
248.15695	3.5
249.16466	8.6
251.17918	4.7
253.15901	3.0
253.19554	2.7
257.19037	3.4
258.14178	3.7
259.14880	5.1
260.15704	4.7
261.16565	8.8
263.18076	9.0
265.19562	7.4
269.19000	5.6
271.14902	4.1
273.16525	5.0
275.17932	6.4
281.19183	4.3
283.20602	11.9
283.31677	3.3
285.16293	3.2
289.19479	3.9
295.20779	4.3
329.22745	4.5
331.24243	6.9
349.25134	5.4
361.25436	4.1
375.26602	5.1
403.30002	6.0
556.61182	3.1
565.40631	19.4
583.41473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	3.0
53.03942	6.9
55.05513	17.2
57.07079	13.3
59.04994	5.5
62.25016	2.5
65.03940	4.4
67.05518	24.4
69.03419	6.4
69.07067	21.5
77.03917	2.8
79.05495	37.3
81.07053	36.4
83.04989	10.0
83.08623	9.7
85.06544	8.8
91.05489	55.7
92.87843	2.4
93.07051	64.3
93.07633	3.9
95.04967	10.5
95.08611	41.5
97.06519	5.1
103.05468	4.4
105.07036	77.2
107.08597	50.2
109.06547	7.4
109.10162	25.3
115.05449	4.3
116.06267	2.9
117.06998	17.9
119.08585	83.6
121.06503	6.6
121.10136	53.6
122.12939	2.3
123.08086	22.1
123.11699	5.4
125.06011	3.7
125.09661	2.9
128.06213	12.5
129.06993	21.2
130.07808	9.1
131.08577	41.6
133.06555	3.2
133.10147	49.4
135.08075	11.4
135.11690	13.9
137.09590	11.9
138.63684	2.2
139.11189	2.8
141.07022	10.7
142.07793	25.1
143.08566	44.3
144.09351	12.3
145.10132	60.3
147.08075	21.3
147.11711	15.9
149.09624	11.1
149.13264	4.3
151.07556	19.1
153.07010	3.9
154.07779	5.0
155.08580	21.3
155.10890	2.3
156.09378	18.1
157.08948	4.8
157.10147	58.4
158.10942	7.3
159.08086	5.1
159.11693	28.1
161.09669	4.7
161.13271	8.3
163.11203	10.4
165.05817	2.8
165.07025	11.0
165.09128	41.3
166.07831	5.9
167.08577	12.4
167.10706	11.2
168.09346	11.6
169.10115	31.1
170.10912	8.2
171.08354	2.6
171.11696	32.9
173.13274	30.0
175.11113	3.5
175.14879	9.2
179.08574	17.8
180.09386	8.3
181.10147	20.1
181.12236	6.8
182.10939	9.1
183.11716	34.0
184.12495	5.7
185.13293	22.4
186.14029	2.9
187.11205	2.7
187.14902	6.4
189.12761	9.8
191.14359	11.1
192.09451	6.3
193.10150	17.7
194.10925	14.2
195.11714	24.3
196.12495	5.5
197.09624	2.6
197.13274	22.8
199.14838	19.6
203.14334	19.5
205.10156	4.8
206.10948	9.3
207.11746	26.1
207.13818	11.4
208.12517	10.7
209.13313	26.9
209.15201	4.9
210.13850	3.4
211.11261	2.7
211.14848	13.0
212.15674	3.3
213.12857	5.0
213.16402	5.0
215.14452	5.0
217.10182	5.7
217.15964	9.9
218.10693	2.8
219.11734	7.7
220.12505	5.6
221.13306	18.5
221.15433	65.0
223.14853	17.2
224.15788	3.1
225.12820	4.7
225.16510	6.3
230.10883	3.3
231.11713	8.3
231.17368	3.0
233.13260	11.8
233.15466	7.4
235.14807	14.2
236.15700	3.7
237.16425	8.2
239.14369	3.8
239.18044	3.9
241.15849	2.8
243.11813	3.8
245.13362	8.3
246.14130	6.5
247.14806	12.9
249.16493	9.7
251.18083	4.9
257.13315	4.6
257.19031	8.4
259.14853	7.9
260.15704	6.6
261.16281	13.9
263.17963	8.3
265.19638	5.6
267.43942	2.5
269.19012	4.3
270.14276	3.4
273.16455	6.7
275.18008	11.0
277.19479	3.9
283.20581	15.3
287.20453	5.3
289.19559	7.0
291.17307	3.1
295.20560	3.1
297.22162	6.5
301.19388	3.5
329.22943	3.6
331.24023	5.8
347.23856	3.7
349.25391	6.0
352.23874	3.5
365.24704	2.8
375.26740	9.7
403.30078	6.0
465.64212	2.9
491.35275	4.7
503.35153	6.5
547.38373	2.8
565.40448	24.0
566.40985	3.0
583.41510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51528	2.4
53.03947	5.5
55.05524	11.9
57.07070	12.1
59.04997	3.3
65.03938	3.5
67.05507	22.4
69.03426	8.5
69.07074	13.7
70.76320	7.3
78.28390	2.1
79.05499	22.8
79.33781	2.5
81.07069	27.3
81.51540	2.3
83.04980	5.6
83.08614	9.6
85.06567	4.2
91.05492	35.2
93.07047	46.8
95.04964	6.0
95.08616	35.0
97.02798	2.5
97.06538	5.5
103.05491	3.5
105.07043	67.4
107.08596	31.3
109.06514	8.7
109.10172	18.3
111.08037	2.6
115.05483	5.5
117.07027	15.3
119.08593	64.8
121.06531	5.0
121.10149	40.5
123.08076	16.5
123.11687	2.6
125.05964	3.7
128.06210	13.1
129.07018	12.0
130.07826	6.7
131.08583	29.2
133.06543	3.4
133.10149	30.5
135.08092	8.5
135.11703	10.3
137.09642	10.9
141.06982	7.0
142.07808	16.0
143.08585	36.2
144.09357	5.1
145.10132	40.3
147.08051	17.9
147.11745	12.8
149.09616	7.6
149.13260	4.0
151.07573	13.8
155.08588	17.0
156.09329	17.5
157.10139	52.1
157.11322	4.1
158.10928	5.9
159.08084	4.6
159.11731	20.9
161.09694	3.5
161.13268	6.8
163.11182	7.9
165.07053	6.1
165.09138	35.6
166.07764	3.7
167.08643	6.5
167.10693	11.7
168.09393	7.0
169.10156	21.7
170.10912	7.8
171.11719	27.4
172.12511	3.0
173.09769	2.9
173.13301	21.7
174.64198	2.9
175.11179	4.2
175.14882	7.2
179.08568	11.2
180.09360	6.1
181.10118	14.7
181.12289	4.9
182.10968	7.6
183.11703	26.5
184.12578	4.4
185.13316	16.7
187.14877	7.7
189.12715	6.1
191.14317	4.7
192.09363	6.1
193.10199	13.5
194.11000	11.5
195.11714	21.4
196.12505	5.9
197.13260	17.2
199.14772	12.1
203.14320	15.2
205.10153	3.6
206.10956	6.5
207.11737	14.4
207.13817	7.8
208.12488	5.3
209.13338	23.9
210.14047	3.3
211.11256	3.6
211.14902	8.6
213.16306	6.6
217.10031	4.8
217.15947	10.9
218.10948	2.7
219.11693	7.1
220.12502	4.1
221.13306	16.7
221.15439	55.2
223.14752	12.6
225.16400	7.2
230.10892	4.0
231.11795	3.7
232.12416	4.1
233.13278	11.1
233.15321	5.0
234.14018	3.6
235.14861	9.0
237.16493	8.8
239.18005	3.3
244.12691	3.3
245.13361	7.5
246.14131	7.9
247.14903	9.2
249.16472	11.1
251.18111	5.7
257.13351	2.7
257.19144	5.4
258.14163	3.3
259.14902	5.6
260.15677	4.0
261.16425	6.6
262.17389	4.2
263.18066	5.8
265.19553	8.3
271.20605	2.7
273.16357	3.2
275.18002	9.2
277.19464	4.2
279.21088	4.7
281.19083	4.3
283.20590	11.9
287.17950	3.5
295.20544	3.8
297.22217	6.3
316.21826	3.6
331.24387	3.9
349.25461	6.0
365.24988	4.2
375.26913	7.7
403.30124	7.5
439.75708	2.8
491.35031	3.8
503.34958	4.9
509.34296	3.4
547.39508	2.8
565.40411	27.9
583.41479	100.0
584.42529	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	581.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.5
60.34542	1.0
69.03419	2.2
69.66247	1.2
70.06587	1.0
70.40450	3.8
73.06558	1.2
80.51073	1.0
81.07052	1.5
85.02884	1.5
85.06501	1.1
91.05494	1.7
95.08624	1.2
97.02917	1.1
105.07040	1.4
107.08600	1.7
113.05785	2.2
119.33434	1.1
121.02901	1.3
121.06567	1.1
121.10153	1.2
137.05991	3.3
139.03923	2.6
145.10046	1.2
149.02365	2.6
153.01836	8.0
167.07019	2.0
177.09163	1.0
177.12573	1.2
181.04987	1.3
203.07137	2.0
261.07327	7.9
275.11060	1.9
299.11053	1.4
315.12003	10.7
317.12073	2.4
333.13150	19.6
333.17090	0.9
335.34366	1.2
397.70624	1.1
411.13074	1.1
462.85297	1.1
495.18439	12.5
537.19458	45.3
538.19781	1.2
581.18335	100.0
582.18951	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	581.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64576	0.6
69.59362	0.6
70.35150	0.6
71.07610	1.3
87.67635	0.6
91.05503	1.3
99.69235	0.6
115.05473	1.8
117.05761	1.5
118.06551	21.2
130.06560	1.4
132.08073	6.7
142.06502	2.1
143.07298	2.6
144.04468	0.8
144.08092	13.1
146.06012	66.5
153.01814	3.7
159.09210	6.0
160.07574	1.5
166.22377	0.7
170.05992	4.0
188.07071	100.0
189.07411	0.7
189.63887	0.7
205.09734	38.9
396.63339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1502
Annotation	Quercetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
57.03434	23.2
58.95113	2.1
61.02927	6.3
69.03431	31.4
69.37518	9.8
69.37943	6.8
71.05003	16.7
73.02915	45.1
81.03429	3.1
83.05002	9.4
85.02907	29.6
95.04989	2.3
95.35020	1.9
97.02885	20.5
98.20796	4.1
111.04446	7.0
115.03904	11.0
121.02920	3.0
129.05481	7.9
137.02351	19.1
147.06552	3.9
153.01854	4.3
161.02293	3.1
163.03937	2.0
173.06035	2.1
177.01758	2.7
225.07631	3.6
229.04890	4.3
281.04474	3.5
285.04050	2.3
299.05536	6.8
302.04160	4.6
303.05002	93.8
313.06927	3.0
315.04968	50.2
316.05771	6.7
317.16074	2.1
327.04935	13.6
329.06543	3.6
341.06573	11.9
345.06067	100.0
353.06601	4.0
367.08087	5.5
369.06042	27.9
395.07562	19.9
413.08755	53.2
431.09750	23.1
449.10840	40.0
449.75461	2.2
477.10236	2.3
581.15149	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.4
56.96563	7.5
65.34742	1.3
67.05511	4.1
69.39573	10.7
79.05497	3.3
81.07057	4.5
91.05495	2.2
93.07017	2.6
95.04982	1.3
95.08626	2.7
98.20727	1.8
98.97593	3.7
107.08617	1.7
109.06493	1.8
109.10186	3.1
121.06539	1.8
121.10175	1.5
131.03818	1.5
133.10158	1.6
153.01878	3.6
167.07054	2.7
179.00150	2.0
197.01242	2.6
219.01814	5.2
237.02844	5.4
241.00232	2.1
253.07582	4.8
271.08405	2.3
277.23904	1.4
279.05505	3.9
297.06607	5.8
333.11011	2.5
343.69778	1.7
367.02936	1.4
409.75751	1.7
411.12680	2.2
495.15384	18.8
537.17383	40.0
581.16345	100.0
582.16626	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	580.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50036	2.6
53.03932	3.7
53.04172	2.9
55.05525	21.4
57.03430	11.1
57.07079	7.3
65.03934	3.2
65.56265	2.9
67.05512	62.0
68.05833	2.9
68.75703	2.6
69.07077	28.6
69.16874	31.3
71.05016	3.4
71.08630	4.1
79.05499	39.1
81.07063	67.7
83.04999	5.0
83.08622	15.7
91.05481	23.0
93.07049	45.6
95.04988	5.8
95.08620	51.3
97.06540	6.9
97.10165	9.4
105.07032	16.1
107.08618	29.9
109.06511	5.3
109.10182	16.7
111.08064	3.0
117.07034	9.8
119.08601	13.3
121.06500	3.6
121.10135	20.3
123.11742	5.8
130.74153	3.1
131.08582	5.6
133.10158	12.6
135.11716	32.5
145.10094	19.3
147.11723	6.5
149.13277	5.3
163.11189	27.3
163.14871	3.4
175.11310	3.1
181.12216	3.8
227.12791	44.4
239.65948	2.8
248.54680	2.8
278.57083	2.9
283.15393	34.3
285.14185	3.0
285.16843	16.8
335.25903	22.0
337.27423	100.0
338.27863	3.4
392.67032	2.6
436.00735	2.9
530.31567	3.4
530.39270	7.0
542.13263	3.3
545.38416	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.3
55.01862	11.3
55.05505	20.2
57.03445	14.9
61.02912	8.8
65.03943	3.0
67.05511	100.0
69.03446	5.7
69.07073	36.2
71.05003	6.4
79.05508	24.7
81.03399	10.2
81.07066	47.6
83.04962	8.6
83.08606	14.1
84.08125	3.0
85.02905	10.5
85.06535	4.0
91.03951	5.2
91.05494	38.4
93.07047	38.8
95.04953	8.8
95.08606	28.4
97.02896	7.7
97.06551	15.6
97.10159	5.0
98.20782	6.6
105.07018	18.3
107.04944	7.7
107.08607	18.3
109.06519	3.7
109.09467	5.6
109.10162	67.9
116.51028	2.8
117.07031	7.7
119.08556	18.6
121.06547	3.8
121.10170	12.8
123.08096	5.0
125.09689	3.6
129.05534	3.6
131.08551	10.7
133.10135	10.6
134.85078	3.0
135.11710	16.6
137.05951	3.4
137.09619	10.7
139.03920	6.1
143.08713	3.6
145.10150	11.9
147.11682	9.5
149.09625	9.0
151.11128	4.5
155.10652	6.6
159.11661	5.0
163.11186	7.4
171.10185	7.2
173.11713	19.6
173.13107	6.5
177.12755	4.0
179.14320	4.4
184.07309	3.8
187.22887	3.2
229.14354	75.4
243.15800	6.2
247.20551	3.9
253.17900	5.7
255.15846	7.5
275.20062	22.8
299.73538	3.0
349.19757	5.7
349.23782	58.5
367.24783	7.8
370.66174	3.4
383.24265	45.0
548.16162	4.4
553.41528	3.5
570.86871	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	580.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99035	3.6
53.03939	10.4
54.71982	3.2
55.01884	7.8
55.05516	25.6
57.03444	20.2
61.02916	4.5
65.03941	5.5
67.05185	6.2
67.05511	85.4
69.03419	14.7
69.07068	48.0
70.08955	15.7
71.01352	5.0
71.04980	6.1
78.08893	3.4
79.05499	45.3
81.03403	14.4
81.07066	77.3
83.04966	8.9
83.08613	10.7
85.02890	13.9
85.06544	6.6
91.03963	6.1
91.04998	4.1
91.05499	58.4
93.07050	60.5
95.04967	19.8
95.08617	46.7
96.67292	3.5
97.02858	10.1
97.06533	20.0
97.10176	8.1
103.05466	12.8
105.07043	39.6
107.04959	6.7
107.08582	21.4
109.06525	6.7
109.10168	36.7
111.04457	3.7
111.08099	3.9
117.07040	13.3
119.08591	25.0
121.06512	71.5
121.10146	21.3
123.08111	9.1
123.11733	9.4
125.09604	6.6
127.03897	5.4
129.06999	4.3
131.08580	14.7
133.10138	24.6
135.11688	15.3
137.09624	10.2
143.08569	4.7
145.10107	19.7
147.11656	9.1
149.09656	23.9
149.13197	6.8
151.11163	5.2
155.10658	4.2
159.11681	10.6
161.13306	7.5
163.11151	10.2
168.95149	3.9
171.10176	10.6
171.11552	3.8
173.11751	10.3
173.13170	4.6
187.11282	4.7
187.13309	4.4
229.14400	25.2
229.19591	4.4
243.16002	12.6
253.17874	5.6
255.15916	9.1
257.18988	7.5
271.15317	8.2
275.20096	40.1
329.04901	3.6
349.19794	5.8
349.23770	76.9
367.24695	11.3
368.26062	18.6
371.87701	3.9
386.26978	10.8
404.27716	9.5
442.29370	5.2
460.30591	19.1
580.27802	5.3
580.36426	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24537	1.2
53.03946	6.3
55.01869	6.5
55.05515	12.7
55.10530	1.3
57.03439	11.3
61.02922	5.3
65.03951	3.4
67.05509	36.8
69.03426	6.0
69.07066	25.3
70.45433	4.6
70.45766	1.7
71.01371	1.9
71.04998	4.0
73.02914	1.5
77.03895	1.5
79.05500	23.0
81.03429	10.2
81.07062	31.4
83.04989	4.5
83.08620	5.8
85.02917	5.3
85.06526	2.3
91.05487	35.3
93.07053	41.4
95.04993	9.4
95.08614	19.3
97.02937	3.5
97.06551	11.9
97.10185	2.7
103.05476	12.2
105.07037	19.3
105.07699	1.9
107.04962	6.4
107.08615	14.3
109.02890	1.6
109.06519	2.6
109.10169	18.4
111.08085	2.8
117.07042	5.9
119.08588	12.5
121.06516	72.1
121.10129	9.7
123.08091	3.6
123.11732	2.9
125.09643	4.0
129.07016	4.3
130.06544	1.3
131.08574	7.7
132.08090	2.1
133.10135	14.0
135.08066	2.6
135.11726	5.9
137.09651	3.5
143.08612	2.3
145.10123	6.8
147.11726	6.0
149.09618	9.0
149.13229	1.9
151.11183	2.6
155.10640	2.3
157.10182	4.1
159.11723	6.4
161.13327	3.5
163.11237	4.9
165.12799	1.4
171.10260	3.7
173.11893	2.9
173.13304	4.1
175.11156	2.8
179.14378	2.6
181.12160	1.4
183.11839	1.4
187.11177	2.1
187.13387	1.4
229.14314	11.5
243.15981	5.6
253.18152	2.5
255.16019	4.3
257.19067	2.8
275.20035	15.8
291.19534	2.2
324.26758	2.8
340.26501	4.9
349.23807	37.1
367.24899	3.1
368.25931	13.9
386.26834	12.7
393.15637	1.6
397.69327	1.8
404.28079	7.1
442.29767	5.7
460.30615	21.3
580.36395	100.0
581.36072	1.9
590.74933	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72165	1.5
53.03948	3.7
53.41396	1.5
55.01864	4.5
55.05513	13.4
57.03427	7.2
57.07071	4.2
58.24984	2.0
65.03944	3.4
67.05509	77.2
69.03416	6.0
69.07072	13.7
71.04994	2.4
73.02891	3.6
76.00565	1.5
79.05070	2.6
79.05497	36.2
81.03426	10.8
81.07064	76.8
83.04989	3.9
83.08607	6.1
84.11496	1.6
85.02897	2.7
85.06543	5.1
89.41137	1.6
91.05491	24.1
93.06497	2.4
93.07053	49.0
95.04975	3.0
95.08614	59.1
97.02871	2.5
97.06554	3.4
97.10164	5.5
98.98455	5.3
99.04438	3.7
99.08099	3.7
105.07038	20.7
107.04919	2.8
107.08602	29.9
109.02872	7.8
109.06551	2.2
109.09477	2.5
109.10163	36.2
110.03661	2.8
111.04434	5.0
111.08121	2.4
113.09679	1.8
115.05525	1.9
117.06999	11.1
119.08586	14.0
121.10157	26.7
123.07999	2.4
123.11720	14.9
125.09603	3.2
127.03888	5.1
129.07040	1.9
131.08568	20.6
133.10138	14.6
135.11719	22.2
137.09612	2.1
137.13252	5.9
139.11192	2.4
143.08565	2.6
145.10123	15.9
147.11703	13.1
149.02345	6.9
149.09651	2.7
149.13263	14.6
150.02708	3.9
151.02861	1.7
151.11073	2.3
155.01039	4.2
157.10146	2.4
159.11720	16.2
161.13255	10.2
163.14842	9.1
171.11661	3.8
173.11855	2.6
173.13220	13.0
175.14835	2.2
177.16417	3.4
187.14833	12.2
191.00082	2.1
191.14407	1.7
191.16133	1.7
193.05006	4.7
194.05389	4.3
195.05405	2.7
201.16376	3.1
202.80875	1.6
233.22678	3.3
243.21127	20.7
259.20483	2.6
261.22174	100.0
262.22415	2.0
263.23703	3.8
279.23267	5.5
288.56393	1.8
303.23077	3.1
335.25842	17.2
337.27594	3.7
353.26907	74.1
369.24225	3.0
377.27142	1.9
385.52341	2.0
425.91177	1.8
443.27817	2.4
451.21909	1.9
561.27094	6.0
579.13745	6.2
579.30798	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	580.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01862	1.5
57.03449	0.7
61.18183	0.5
63.51866	0.6
65.03949	0.8
66.30103	0.6
66.61144	0.6
67.05502	1.6
68.44834	0.6
68.99777	2.1
69.03425	2.1
70.06568	1.0
71.51006	0.6
71.51388	0.6
79.01855	2.0
81.07037	1.0
83.04960	0.6
85.02895	1.3
91.05444	0.7
93.03381	0.8
95.04998	0.9
97.02895	1.1
107.01327	0.6
107.04956	9.3
109.02883	0.8
109.06499	0.9
111.00819	0.8
111.04443	3.4
115.05474	0.7
119.04969	1.3
119.08545	0.8
121.02907	0.8
121.06540	1.1
123.04445	3.6
125.02360	1.1
127.03934	1.0
135.04456	1.1
137.05962	2.9
139.03905	48.2
140.04272	0.9
141.07013	1.0
143.03392	2.1
145.06519	1.0
147.04425	1.8
151.03918	4.0
153.01840	25.9
153.02919	1.5
153.05478	2.5
153.07042	1.2
155.04921	1.5
163.03918	15.8
165.05498	5.2
167.07112	1.1
168.06534	0.7
169.06477	1.5
169.08875	0.8
170.73576	0.6
173.06049	2.5
175.03978	1.2
175.14867	0.9
177.05463	2.2
180.08151	1.0
181.05031	1.3
181.06465	6.5
182.09729	0.8
183.04443	2.7
183.08075	0.8
184.07608	0.9
185.06007	1.1
189.05473	3.0
191.03406	1.2
192.07947	0.8
193.04988	1.4
193.06596	0.7
193.16013	0.6
196.07594	2.4
197.04311	0.9
197.06013	4.4
197.08437	0.8
198.09200	1.7
199.03915	1.1
199.07635	1.2
201.05495	10.0
201.07272	1.2
201.15540	0.7
204.06494	1.4
205.05040	1.6
208.07564	3.0
209.06036	3.1
210.09183	2.6
211.03900	1.1
212.07034	1.8
213.05476	2.4
214.08643	3.5
215.07047	2.6
217.05048	1.6
217.07314	1.8
219.02905	1.2
220.07671	0.9
221.06036	1.7
224.07030	4.7
225.05521	2.7
225.07866	10.3
226.08646	7.5
227.06964	3.6
229.05031	6.7
229.07217	0.9
230.08194	4.0
231.06516	1.9
236.07051	1.1
237.05553	4.3
237.07660	1.1
238.08615	9.6
239.07062	2.4
239.09361	1.4
240.06625	0.9
241.04991	1.3
241.07307	1.0
242.08110	5.7
243.06554	5.7
243.08968	2.6
244.09683	2.5
246.07645	2.7
247.05959	3.1
249.05490	1.1
252.06468	1.5
253.07210	3.9
254.08141	10.3
255.06514	10.3
256.05884	0.6
256.09747	3.6
258.07642	1.0
266.08105	2.2
267.06482	3.7
269.06949	1.1
270.07620	13.9
271.05981	0.6
271.08484	5.6
272.09198	20.5
273.07599	1.6
275.05499	0.7
281.08157	0.8
282.07559	2.7
284.09137	6.3
289.07162	1.5
290.10303	0.8
292.08334	1.0
299.05649	1.0
301.08752	1.0
317.06638	2.4
319.04507	1.4
319.09677	0.8
323.09277	0.6
329.08096	1.9
333.79733	0.6
346.10641	1.0
347.09207	2.8
353.10461	0.9
357.07578	1.4
363.08392	0.9
364.11862	4.9
365.10104	1.0
375.08670	4.4
381.09384	3.4
382.12796	1.8
383.11447	0.9
388.30554	0.7
392.11292	3.4
393.09656	11.2
410.12354	100.0
411.11386	2.9
428.13568	0.8
431.12976	0.8
442.11325	1.3
497.15213	0.7
527.10382	0.8
545.10675	1.4
563.11676	1.6
580.14227	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	579.2609
Annotation	Phellophyll a
Peak:m/z	Relative Intensity
57.07081	1.3
67.05514	2.7
70.00224	1.8
71.08640	1.2
74.12368	0.4
79.05512	0.8
81.07051	0.9
86.59274	0.5
88.92251	0.5
95.08598	0.7
101.92612	0.5
109.10178	2.0
132.61314	0.5
135.75383	0.5
146.98332	0.5
151.26135	0.5
152.73802	0.5
182.70746	0.5
223.12660	0.6
275.15485	0.5
301.22479	0.6
342.68222	0.5
363.16446	1.0
364.17026	0.7
375.16278	1.0
377.17740	2.2
378.18741	1.8
379.19229	3.0
389.17905	1.5
390.18546	1.8
391.14859	0.7
391.19556	2.7
392.16040	1.0
392.20496	1.0
393.20923	3.3
403.19482	1.1
404.20132	1.5
405.16971	1.9
405.21805	2.5
406.17313	2.4
407.17838	2.8
407.22595	1.8
417.16412	0.7
417.21185	0.9
419.14130	0.7
419.22360	2.1
420.15091	0.9
420.19614	1.0
421.19968	8.6
431.18369	1.0
433.15964	3.3
433.23956	1.5
434.16583	2.8
435.17395	7.0
435.23013	1.2
436.22601	11.4
437.23248	1.1
445.20142	1.4
447.17239	0.9
447.22824	2.9
448.18350	2.3
449.19131	10.8
450.24136	1.8
452.22382	0.6
459.21756	0.8
460.22775	1.4
461.19870	1.5
462.20425	1.6
463.21127	9.6
463.26505	0.6
464.21814	2.0
467.37387	3.8
473.23386	0.8
474.24344	0.8
475.20975	13.1
476.21826	1.3
477.22943	6.1
491.24649	3.4
492.21561	15.7
493.22195	1.0
501.22552	0.6
503.24326	1.9
507.27402	1.6
519.24048	3.8
523.27124	13.4
533.25702	1.5
535.27362	3.6
536.24103	0.7
547.23267	2.4
551.26581	25.2
552.26556	0.7
561.24896	1.3
579.26031	100.0
580.26447	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	579.1502
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
53.03925	0.9
55.01868	1.0
62.28097	0.5
65.03943	0.9
67.05498	0.9
68.85152	0.7
68.99799	4.4
70.66020	1.0
70.66360	1.4
81.03411	2.9
95.04953	1.8
99.04452	1.3
105.03439	0.7
107.04961	3.8
109.02873	2.7
111.00793	2.8
111.04449	2.7
119.04940	1.3
121.02898	1.8
123.04430	34.4
127.03921	100.0
131.04926	2.2
135.04422	29.1
137.02370	3.5
137.05980	1.3
139.03908	42.6
140.96289	0.6
141.06978	1.4
147.04439	5.4
149.02400	4.1
149.05968	2.6
151.03903	6.6
153.01831	2.4
155.04945	0.9
157.06393	0.9
159.04382	3.3
161.06021	2.6
163.02556	1.5
163.03915	30.6
165.05521	3.4
167.03409	6.7
169.06444	1.5
173.06030	3.3
175.03958	3.0
177.05482	2.7
179.03461	3.0
181.06499	0.8
183.04478	0.8
185.05992	1.1
187.03825	4.5
189.05490	2.0
191.03410	9.8
193.05000	2.9
197.06062	4.0
201.05499	7.4
203.03377	7.4
203.07019	2.2
205.04964	2.4
207.06483	1.4
213.05405	1.2
215.03424	0.8
215.07053	2.5
217.04967	1.9
225.05424	1.6
229.04933	4.2
231.06650	2.2
233.04492	4.2
243.06516	4.0
245.04494	5.2
247.06003	12.8
251.05554	1.1
253.05040	1.4
255.06572	1.1
257.04446	8.4
258.05045	1.2
259.06058	9.3
261.07700	0.7
269.04474	2.0
271.05997	17.5
273.07574	1.1
275.02658	1.0
275.05524	14.6
283.05988	6.5
287.05527	18.8
289.07104	9.9
291.08643	11.3
299.05521	3.1
301.07086	8.7
303.08688	1.7
409.09204	20.7
411.10712	2.9
421.09497	0.8
427.10208	4.0
435.10303	0.9
461.82434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11680	4.6
53.05576	4.6
55.05524	6.2
57.58344	5.5
67.05521	4.7
68.99772	5.2
71.50295	9.2
79.05508	6.9
81.03428	10.3
85.02915	18.2
91.05453	5.8
93.03398	7.6
99.92065	5.7
103.05479	6.1
105.03430	5.9
107.04956	25.7
109.02888	22.7
109.06504	5.7
112.90679	5.6
119.04967	11.2
121.02871	28.3
121.06522	16.3
123.04429	27.5
127.03919	29.8
131.04933	11.2
135.04425	37.3
139.03909	23.3
145.06477	7.5
147.04395	31.0
148.90775	5.0
149.02304	7.1
149.05988	7.2
151.03972	7.0
153.01836	21.4
159.04364	12.6
161.06033	11.7
163.03896	24.3
165.01886	13.5
165.05452	8.1
173.05965	15.5
175.03912	8.9
177.01855	19.5
177.05476	11.7
185.06001	7.7
187.03941	15.7
189.01826	30.6
189.05507	7.4
191.03421	22.7
195.02876	31.4
201.01892	6.3
201.05490	24.7
203.03394	30.0
205.01193	7.3
205.04958	11.2
207.02901	22.3
213.05450	7.2
215.03430	24.5
217.04988	7.6
219.02921	91.0
227.03372	8.4
229.04990	29.8
231.02876	67.1
233.04501	24.2
241.04974	6.9
243.02827	31.5
245.04558	16.1
247.06046	12.6
249.04005	19.1
255.03012	9.1
257.04593	29.6
259.06018	9.4
261.03979	100.0
267.02777	6.3
269.04559	13.5
271.06052	17.0
273.04001	42.8
275.05557	7.1
281.04294	5.9
285.03909	56.3
287.05493	15.2
291.05032	21.5
291.08395	6.3
297.03949	22.6
297.07355	11.1
299.05676	11.9
303.05069	23.0
309.04077	7.8
315.04886	10.9
321.06067	18.3
327.05078	52.2
327.08640	11.8
335.94821	4.9
339.08170	31.1
345.06012	13.8
351.08554	27.7
353.10538	5.7
353.15323	4.9
363.07086	55.9
365.49298	5.4
369.05978	6.9
381.09882	32.2
393.09515	31.9
405.08490	32.4
409.08972	16.0
411.10657	15.6
417.09799	6.0
423.09802	25.6
427.10480	8.9
429.11884	33.8
441.10809	36.4
447.10910	34.5
459.12796	27.8
465.11786	15.0
483.12625	21.9
495.12680	24.2
525.14099	12.7
543.14996	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	579.1502
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
51.36078	0.8
53.03921	1.4
55.01867	2.3
62.31307	1.0
65.03944	1.5
67.05481	0.9
68.99790	5.0
69.03403	1.0
69.30335	7.2
69.53667	1.1
70.06583	1.6
70.26522	0.9
75.88447	0.9
76.13729	1.0
79.05471	1.1
81.03408	3.5
81.99568	0.9
85.02870	1.6
85.72463	1.0
87.29535	0.8
89.17998	0.8
93.03395	1.2
95.04959	2.5
97.02851	1.1
101.45335	1.1
105.03388	1.9
107.04938	4.3
109.02868	3.0
111.00828	3.3
111.04424	3.8
113.07119	1.2
115.05414	1.1
117.03352	1.0
119.04939	3.2
121.02826	2.4
121.06504	1.8
123.04430	64.5
127.03916	100.0
131.04936	2.9
135.04420	33.0
137.02371	6.3
137.05972	1.2
139.03903	67.4
143.04919	1.4
145.06569	1.2
147.04427	10.4
149.02371	7.3
149.05991	2.8
151.03909	12.8
153.01802	3.1
159.04437	3.6
161.02336	1.3
161.05992	3.9
163.03903	41.9
165.05486	7.4
167.03395	9.1
169.06485	1.8
173.05957	3.8
175.03949	4.9
177.05516	5.1
179.03360	6.6
183.04367	1.3
183.50429	0.9
185.05917	2.0
187.03859	7.2
187.07729	1.3
189.01903	1.1
189.05495	3.0
190.24126	1.0
191.03378	17.6
192.51871	1.1
193.04994	4.8
193.18532	0.8
197.05945	3.9
201.05473	8.5
203.03386	11.9
203.07037	1.5
205.04919	4.0
213.05435	2.1
215.03389	2.3
215.06952	4.4
217.04916	1.8
225.05467	1.6
229.04991	10.0
231.02959	1.3
231.06454	2.4
233.04475	6.7
241.04929	2.1
243.06473	5.1
243.87946	0.9
245.04424	9.1
247.06012	23.5
251.05559	1.6
253.04913	1.6
255.06555	2.7
257.04440	13.7
258.05103	1.6
259.06039	13.9
265.05066	1.0
269.04477	3.0
271.06030	19.3
273.07571	2.3
275.05487	19.0
283.06036	8.2
287.05505	31.5
289.07028	11.9
291.08575	11.6
299.05469	5.7
301.07059	18.2
303.08572	3.4
311.05203	1.1
333.10016	1.2
409.09201	31.4
411.10831	3.3
421.09070	1.8
427.10373	6.4
435.10812	1.8
439.10083	1.4
542.69287	1.1
579.19299	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.01868	4.4
55.05513	17.4
57.03428	6.9
65.66779	3.1
67.05509	48.0
69.07085	17.1
71.04998	3.6
71.51464	3.5
75.09336	3.2
79.05502	36.7
81.07060	38.4
83.05011	4.4
83.08616	8.8
91.05480	17.1
93.07040	50.1
95.04961	5.1
95.08619	43.6
97.06538	5.0
97.10195	4.5
105.07050	12.6
107.05000	5.4
107.08608	24.8
109.10148	12.2
117.07020	8.7
119.08595	8.9
119.60665	3.3
121.10138	19.4
131.08560	4.3
133.10121	6.9
135.11687	32.0
145.10149	21.4
147.11632	3.7
161.13252	4.1
163.11183	40.4
181.12241	8.0
182.97296	3.4
214.56358	3.1
227.12793	71.0
261.22116	7.2
265.68417	3.8
283.15414	35.8
302.33618	3.0
335.25821	100.0
449.18835	3.5
528.37585	5.1
543.36871	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	578.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.01880	1.5
55.05498	0.8
57.03435	1.0
57.07067	1.2
58.06594	0.7
58.46991	0.7
58.99586	1.5
62.75148	0.8
65.82797	0.7
67.05492	1.5
69.03434	40.6
69.07058	3.4
69.32421	6.5
70.06605	10.9
71.04989	1.5
72.08132	0.9
73.02921	1.4
76.02222	2.5
76.48785	0.8
79.05492	2.3
81.03417	4.2
81.07063	4.0
83.04964	2.5
83.62480	0.7
84.08154	0.9
84.58218	0.7
85.02916	9.8
85.06535	1.7
87.00846	4.1
91.05491	2.6
93.07033	2.9
94.58043	0.8
95.08612	6.5
97.02896	3.1
97.06512	2.2
99.04439	2.4
105.00106	1.1
105.01859	2.1
105.07033	4.6
107.04938	1.2
107.08596	9.5
109.02869	5.2
109.06538	4.0
109.10172	1.6
111.08085	1.7
116.07057	1.4
116.89893	0.8
119.08572	2.7
121.06521	3.8
121.10143	9.4
122.02734	12.6
123.04432	1.7
123.08054	2.0
123.11716	6.1
125.09642	13.0
125.10481	1.6
127.03918	7.7
129.01802	1.4
131.08578	6.1
133.10121	3.5
133.56351	0.8
135.08055	9.6
135.11688	4.1
139.03896	6.2
142.93040	0.8
143.08514	1.2
145.04965	3.6
145.10133	2.1
147.04359	0.8
147.11659	3.4
149.09612	7.0
149.13252	2.6
151.03938	4.8
153.01822	2.4
153.05438	0.9
153.09132	5.7
158.10918	2.6
159.02898	2.1
162.09142	1.5
163.03868	2.3
163.11165	1.6
163.14873	4.2
165.12727	2.2
167.10759	0.8
173.13286	14.9
173.53831	0.8
175.07605	1.5
177.05508	4.4
188.07083	1.1
190.05304	0.8
191.14319	62.1
192.14626	1.0
209.15378	100.0
210.15717	1.5
211.07593	1.1
215.07100	0.9
223.11494	2.8
224.07173	0.8
231.04892	1.9
234.11220	2.2
241.12608	2.2
251.06902	1.9
261.07635	0.9
267.06659	1.0
272.11374	1.0
301.07101	1.2
330.17398	4.8
333.09961	1.1
392.13647	1.2
410.09048	1.3
410.14481	25.4
423.92490	0.9
517.73669	0.9
560.17316	1.0
578.18591	24.0
579.19232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.01869	5.1
55.05510	38.1
57.03426	9.8
57.07063	6.7
59.04997	5.9
59.86654	3.3
67.05186	5.4
67.05508	77.8
69.03421	4.7
69.07068	24.4
69.20648	9.6
69.21069	22.4
71.04990	11.6
79.05496	56.6
81.03428	21.5
81.07060	100.0
83.04973	8.3
83.08625	17.2
85.06532	11.1
87.04472	7.6
89.70761	3.1
91.05486	51.7
93.07055	63.0
95.04980	16.0
95.08614	57.6
97.06522	9.7
97.10159	16.8
105.07034	53.6
107.04984	5.0
107.08592	35.7
109.06506	8.3
109.10162	25.2
111.08083	8.2
115.05477	3.4
116.02083	2.9
117.07024	15.6
119.08583	41.0
121.06516	5.1
121.10143	28.5
123.08057	5.3
123.11700	10.3
125.09653	11.6
129.07014	13.9
131.08574	33.7
133.10112	28.4
135.08011	4.0
135.11693	15.2
137.09683	3.2
137.13280	4.1
141.07027	4.1
143.08589	14.5
145.10146	22.4
147.11694	27.0
149.09612	5.3
149.13240	8.8
155.08571	7.5
157.10155	13.8
159.11716	22.1
161.13245	11.7
163.11169	4.8
169.10110	8.2
171.11682	11.8
173.13251	10.2
175.11205	4.3
175.14819	6.3
178.03665	3.0
183.11674	9.0
185.13319	7.2
187.14885	5.8
189.11237	7.7
193.12259	11.4
197.13394	5.2
199.13280	3.7
199.14928	5.9
211.14969	4.3
227.12802	10.8
239.16429	4.1
259.20554	4.6
261.22189	8.4
267.15897	20.0
285.22171	5.0
289.21536	5.8
299.23727	3.6
301.25262	10.1
335.25879	15.5
361.27576	3.0
363.25269	7.7
396.96872	3.7
417.31119	4.4
435.32678	10.8
436.94492	3.7
453.33554	10.7
471.34613	7.6
509.36450	4.3
527.37335	49.5
545.38342	41.5
559.39307	9.3
577.40063	9.9
577.50201	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	578.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77698	0.8
50.81866	1.0
55.01884	2.1
58.06598	3.4
69.03441	1.5
70.06599	43.9
71.50862	1.6
72.08168	1.3
81.03385	1.2
82.06582	1.0
89.06035	0.9
91.05496	1.9
93.07016	1.1
96.08136	2.6
96.12157	1.0
97.02947	1.2
107.04955	1.6
109.02895	1.0
116.07125	1.5
120.08083	1.8
121.03008	0.8
121.06541	4.2
123.04467	2.6
124.07612	1.1
126.09118	1.0
127.03992	1.7
131.04936	1.1
131.08589	1.2
135.04434	2.7
136.07594	1.2
137.05988	1.2
138.05486	1.3
139.03915	18.5
140.83595	0.9
145.06511	1.3
147.04420	1.0
148.07596	1.9
149.05981	2.0
150.09126	1.2
151.03928	17.1
152.38637	1.0
153.01883	4.2
153.05519	1.4
154.02229	0.9
156.78319	1.2
157.06502	0.9
159.04469	1.7
159.92708	0.9
161.05920	1.3
162.09164	2.3
163.03882	7.3
164.07137	3.7
165.05547	1.8
165.07037	1.4
167.08578	1.5
169.06429	1.0
171.08075	1.3
173.06068	2.5
175.04115	1.1
175.07581	4.1
176.07082	2.5
177.05481	12.6
178.08746	1.1
179.08690	1.3
180.10222	1.9
181.06517	1.9
185.06041	2.2
186.05978	1.1
187.07689	1.7
188.07069	5.4
189.05476	1.9
191.03633	0.9
191.14345	1.2
195.08073	2.1
197.05943	1.5
201.05547	1.6
203.07097	1.5
206.08199	1.1
209.15372	1.7
210.06764	1.3
211.07600	2.5
213.05525	1.1
215.07118	3.6
219.06686	1.3
223.07666	4.6
225.09219	2.8
227.07098	2.4
229.04892	1.0
231.06522	2.6
234.09343	0.9
234.11395	7.4
237.05617	1.2
239.07111	3.2
241.08484	1.4
242.10364	2.0
243.06589	1.6
249.05492	1.7
251.07062	5.6
253.08757	1.8
255.06670	2.2
257.08087	1.2
265.05161	1.2
267.06638	2.8
269.08188	3.3
271.05911	1.9
272.11343	3.3
279.06595	1.6
283.05911	2.0
285.07727	1.8
287.05551	1.1
297.07550	2.2
301.07104	1.8
313.06943	1.2
315.08609	1.5
319.08047	1.1
333.09802	3.9
351.64017	0.9
391.11862	1.0
392.13477	2.2
402.15533	1.6
410.14490	100.0
411.14862	1.8
521.12946	1.4
542.17535	0.9
560.17633	2.9
578.18744	99.2
579.18958	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.6
53.03943	6.0
55.01865	5.4
55.05519	17.4
57.03436	8.6
57.07075	2.3
61.02942	2.2
65.03941	2.2
67.05508	32.7
69.03413	8.7
69.07076	12.7
69.74570	9.5
71.05003	4.5
73.02927	6.8
75.16149	1.7
79.05499	51.1
81.03421	9.8
81.07065	38.3
83.04981	3.2
83.08621	7.5
85.02904	8.1
85.06542	3.3
91.05482	45.4
93.07049	56.0
95.04975	7.7
95.08623	26.5
97.02902	5.5
97.06538	3.1
97.10192	3.7
99.04482	4.8
99.08115	2.5
105.04562	2.3
105.07043	47.0
107.08604	34.7
109.02888	12.1
109.06503	3.0
109.10181	13.8
110.03683	3.6
111.04452	8.5
111.08097	2.6
117.07005	11.1
119.04966	3.4
119.08592	36.6
121.10155	33.0
123.08057	3.4
123.11681	4.5
125.09608	2.3
127.03923	8.2
128.06300	2.0
129.07027	8.2
131.08603	20.2
132.99579	2.1
133.10143	34.4
135.08102	2.6
135.11723	31.4
143.08598	10.5
145.10127	20.7
147.04427	21.3
147.11696	36.1
149.09636	6.7
149.13264	14.2
151.11203	2.6
155.08586	2.5
157.10100	8.7
159.11702	18.3
161.13292	25.1
163.11221	4.5
163.14835	5.4
167.10431	2.0
169.04996	1.8
169.10094	2.0
171.11700	13.3
173.13237	9.0
175.14844	12.7
177.12735	2.7
185.13254	10.5
187.14825	4.7
191.00119	4.8
191.55133	2.1
199.14836	5.6
209.52144	1.8
213.16400	5.2
217.19608	2.0
231.17520	3.4
231.21156	7.9
241.19562	25.5
250.78044	1.9
259.20593	78.7
261.07620	5.0
262.97122	1.8
267.15918	3.7
275.20114	3.6
277.21774	9.9
279.08914	1.9
301.21484	3.3
315.23166	1.7
329.11646	2.0
333.24246	10.4
339.27078	1.9
349.23853	2.5
351.25342	100.0
363.25488	2.2
375.00613	1.9
375.25381	2.6
449.19931	3.2
463.52792	2.3
541.24896	2.4
559.25397	3.8
559.36237	2.0
602.55676	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81229	0.5
53.03944	1.3
55.01863	0.7
55.05516	10.2
58.14434	0.6
58.99002	0.7
65.03923	1.1
69.03419	2.0
69.64338	0.5
70.06593	5.1
70.96196	1.3
73.02901	0.7
73.06557	5.2
79.63053	0.6
81.03408	2.5
81.07043	0.7
85.02910	3.6
87.00823	2.3
91.05520	0.7
91.07610	1.0
95.08615	0.7
97.02867	2.3
99.04486	1.0
103.49593	0.5
105.01884	1.4
109.02881	2.1
116.07090	7.3
121.02876	3.1
121.06463	0.7
127.03918	3.5
131.08554	1.0
145.04970	1.5
149.02348	100.0
153.01753	1.0
159.02942	1.2
161.06000	2.1
175.07574	6.3
195.73318	0.5
203.07033	11.3
209.40381	0.6
221.08112	15.1
221.10173	1.0
275.12842	2.6
275.56665	0.6
293.13843	30.1
318.50992	0.6
408.85855	0.8
451.12650	0.6
462.90903	0.6
469.13922	0.6
541.19299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
54.43728	0.4
55.01852	0.6
55.05514	12.4
57.03436	0.4
65.03928	0.8
67.27707	0.3
69.03424	1.3
70.06596	0.7
70.95320	1.0
73.02902	0.5
73.06556	6.5
81.03417	1.4
83.04958	0.4
85.02913	3.1
87.00823	1.1
90.29797	0.4
91.05479	1.3
97.02906	1.3
99.04494	0.4
105.01856	0.7
109.02874	0.9
121.02887	3.3
121.03922	0.5
121.06572	0.5
127.03895	2.0
129.07013	1.3
131.08582	1.3
143.05023	0.4
145.04973	0.8
147.04347	0.4
149.02350	100.0
150.02643	1.0
153.01796	0.9
157.06491	0.4
159.02898	0.6
161.05981	3.4
167.03439	0.6
175.07558	12.2
185.06020	0.6
203.07039	14.6
221.08104	7.9
239.11111	0.3
275.12802	8.8
293.13843	51.7
294.14374	0.6
305.11087	0.4
327.54276	0.5
339.04132	0.4
513.45667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52107	2.1
53.03934	9.1
55.01868	8.4
55.05511	53.6
57.03439	15.7
57.07074	4.2
59.05000	4.1
65.03932	6.2
67.05506	100.0
68.22101	1.7
69.03425	5.1
69.07070	30.7
69.23202	4.0
69.23603	18.1
71.01353	2.3
71.04996	15.4
71.08598	2.7
79.05496	63.1
81.03409	10.3
81.07056	90.5
81.09719	2.3
83.04985	11.3
83.08617	30.9
85.02883	2.3
85.06551	6.3
91.05482	74.0
93.06484	4.9
93.07047	70.2
95.04961	19.2
95.08606	56.1
97.02877	2.7
97.06525	9.0
97.10178	23.1
98.20814	4.7
98.21471	3.9
99.08080	6.2
103.05453	4.1
105.04536	2.9
105.07034	58.3
107.04965	14.6
107.08595	42.8
109.06535	11.7
109.10153	23.2
111.04450	5.4
111.08075	9.4
115.05452	6.2
117.07012	33.0
119.08581	42.9
121.06495	7.6
121.10137	27.0
123.08062	10.9
123.11704	7.8
125.09653	15.2
128.06195	10.0
129.07013	25.4
131.08568	50.3
133.06487	6.8
133.10135	35.5
135.08038	11.2
135.11691	17.2
137.09639	4.6
139.11180	3.8
141.06998	10.6
142.07787	7.1
143.08559	26.9
144.09354	2.6
145.06465	5.5
145.10123	41.8
147.08031	9.2
147.09784	2.5
147.11679	15.2
149.09616	8.4
149.13248	8.1
151.07489	2.4
151.11163	3.3
153.06995	3.6
155.08525	15.8
156.09427	3.1
157.10129	23.6
159.08086	4.8
159.11711	30.6
161.09612	7.0
161.13235	9.4
163.11172	9.4
165.07098	4.3
165.12714	3.5
167.08522	4.7
169.10115	19.8
171.11702	21.7
173.09569	7.2
173.13246	15.6
175.11221	6.0
175.14816	4.5
177.09148	3.2
177.12779	3.2
179.08597	2.4
181.10083	8.7
183.11710	14.4
183.13269	2.3
185.09666	2.1
185.13255	13.5
187.11182	5.4
187.14821	6.0
189.11194	6.5
189.12737	3.5
193.10161	2.9
195.11690	8.5
195.13435	2.2
197.13303	10.7
199.11140	2.9
199.13103	2.6
199.14871	5.5
201.12802	4.1
207.11676	3.0
209.13290	5.8
211.14848	5.3
213.12756	3.0
215.14394	2.5
217.15968	3.4
221.13301	4.6
223.14844	2.9
225.16393	2.9
227.12750	17.4
229.14246	3.0
237.16519	4.2
239.18010	2.8
257.19006	7.7
263.17752	3.2
267.15775	3.5
273.18445	8.7
273.35117	2.4
275.20081	15.0
283.15289	4.1
283.20605	5.1
285.22159	7.2
287.20056	4.4
289.17764	2.8
291.19565	9.4
299.20337	2.8
299.23581	11.3
303.23309	3.1
313.21588	2.9
321.22052	4.2
331.22894	4.1
347.21893	3.5
349.24063	2.2
359.25739	3.8
371.25720	3.6
415.30090	7.5
421.25809	4.3
433.30960	18.9
443.27841	2.8
451.32281	17.2
469.33252	8.4
471.31067	3.6
499.34222	4.6
507.34766	4.5
517.35229	12.0
525.35754	53.7
529.31580	6.0
531.36633	2.7
543.36914	49.6
557.38806	15.1
575.38715	34.4
575.50055	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	3.2
51.74151	2.8
53.03938	9.4
54.28416	2.7
54.66699	2.6
55.01876	21.2
55.05515	47.9
57.03431	12.1
57.07078	2.9
59.05007	4.7
63.66080	2.7
65.03925	6.8
67.05182	5.2
67.05509	71.3
67.97263	3.7
69.03414	9.2
69.07072	23.9
69.95743	6.5
69.96130	8.9
70.46823	2.8
71.04980	11.9
77.03899	2.9
77.42503	2.9
79.05070	5.6
79.05496	70.5
81.03426	75.7
81.07063	100.0
83.04990	25.1
83.08618	32.2
85.02890	7.0
85.06529	3.9
85.65583	2.9
91.05486	67.1
93.03402	2.8
93.07050	57.3
95.04970	50.3
95.08613	31.3
97.02905	10.0
97.06528	16.4
97.10164	26.2
99.04462	4.7
99.08106	4.7
103.05475	2.4
105.04519	3.8
105.06385	4.9
105.07040	54.0
107.04985	23.6
107.08593	31.7
109.06503	23.5
109.10154	22.9
111.04452	23.3
111.08083	14.4
111.66414	3.1
115.05471	6.3
117.07041	21.1
119.04946	2.7
119.08588	38.5
121.06503	13.2
121.10136	28.7
123.08070	31.9
123.11707	4.8
125.09642	28.3
128.06224	5.1
129.07040	18.4
131.08582	27.7
133.06496	7.2
133.10175	17.6
135.08043	11.8
135.11696	16.4
137.09610	9.4
141.06972	5.4
143.08565	10.6
145.06470	8.5
145.10129	23.6
147.08067	13.8
147.11690	13.2
149.09666	16.8
153.09070	3.5
153.12727	9.3
155.08577	8.5
157.06487	4.6
157.10139	17.4
159.08043	3.7
159.11734	13.1
161.06013	4.2
161.09631	7.2
163.11182	24.8
165.09039	3.3
169.10089	4.5
171.08044	3.9
171.11769	5.1
173.09605	9.2
173.11792	6.6
175.07585	3.9
175.11235	12.9
177.12772	4.8
181.10255	3.2
181.12242	10.9
183.11751	3.6
185.09639	5.7
185.13242	5.2
187.11218	3.1
189.11232	24.9
189.12718	5.4
191.10675	11.5
193.04971	3.3
193.12202	14.4
199.11183	4.8
211.07520	3.1
211.11195	6.1
211.13081	3.3
213.12592	3.3
219.13849	24.8
223.13261	8.8
227.12773	20.8
229.14458	5.5
249.14758	4.6
267.15942	28.0
273.18533	25.4
275.20081	6.7
283.15372	3.7
291.16559	4.7
291.19583	60.5
309.20706	4.0
313.21655	5.0
315.19583	7.1
323.20087	3.7
329.21295	4.4
341.20984	5.2
347.22473	6.9
357.24408	4.2
365.23419	14.7
433.25800	10.8
447.28128	8.9
465.30011	15.2
483.31006	14.4
501.32196	6.2
539.33636	9.5
557.34772	49.6
575.35858	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	14.9
55.01868	11.5
55.05516	34.7
57.03233	2.8
57.03447	30.0
57.07079	4.0
61.02934	26.2
63.16922	3.1
65.03926	4.6
67.05512	77.8
69.03085	4.4
69.03438	62.4
69.07066	27.8
71.01368	5.8
71.05002	11.3
73.02921	18.3
76.99933	3.1
79.05497	52.4
81.03429	84.1
81.07060	100.0
83.04993	31.8
83.08627	23.4
85.02908	49.1
85.06550	6.8
87.04477	4.8
91.03962	12.4
91.05489	47.6
93.07057	63.4
94.28035	2.7
95.04985	23.4
95.08613	34.6
97.02905	57.6
97.06557	17.0
97.10180	7.3
97.10739	3.7
98.20717	7.4
99.04468	16.6
99.08119	7.0
101.02414	9.7
103.03950	6.1
105.07035	38.1
107.04959	13.0
107.08606	35.7
109.02900	23.3
109.06516	9.3
109.10176	16.2
109.11414	3.1
111.04456	21.4
111.08088	9.0
117.07022	19.2
119.08609	24.2
121.06502	8.5
121.10149	28.8
123.08076	8.4
123.11699	3.1
125.09641	7.8
127.03954	36.4
129.05524	15.8
129.07021	14.1
131.04936	3.7
131.08591	27.7
133.10153	17.3
135.08089	8.9
135.11693	19.2
137.06047	3.0
139.03838	3.4
143.08563	11.6
145.05002	4.5
145.06445	6.2
145.10139	15.1
147.08083	9.9
147.11678	12.6
149.09648	7.1
149.13289	24.1
155.08603	5.5
157.10156	8.5
159.08101	4.8
159.11696	21.9
161.09595	6.4
161.13342	5.1
163.11177	6.9
165.12775	7.1
169.10123	3.8
173.09572	5.5
173.13354	4.9
175.11165	7.2
177.12726	19.3
181.12245	6.0
183.06529	10.1
185.09683	3.4
189.11234	8.2
191.10800	3.6
193.12231	9.0
195.13835	38.4
197.13290	4.0
201.07678	5.4
213.12946	4.6
213.14903	9.5
219.13860	9.8
223.13293	3.2
227.12770	7.5
244.36046	3.0
257.19003	3.5
267.15955	13.1
269.17480	53.1
273.18362	7.8
275.16516	5.8
275.20132	4.8
285.14725	5.6
291.19406	14.2
297.16867	3.9
303.15952	4.0
321.17044	5.5
335.18427	4.6
339.18115	15.2
348.22629	3.2
377.19528	11.8
395.20737	18.4
395.24936	3.5
413.21732	52.6
458.25827	3.3
465.30624	3.3
483.31131	6.0
539.33807	5.9
557.34814	16.7
575.27667	4.8
575.35938	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.4
55.05521	8.9
56.30657	1.0
57.03446	5.8
57.07084	30.6
62.50725	1.3
65.03953	1.5
67.05511	40.7
69.07077	9.0
69.35400	4.9
69.35835	4.5
71.05004	17.0
71.08636	22.9
79.05499	8.9
80.10804	1.1
81.07066	64.0
83.04972	2.2
83.08622	9.8
85.06552	6.9
85.10188	10.5
87.04481	12.1
89.06014	1.9
89.94611	1.1
91.05490	13.8
93.07063	8.6
95.08617	21.2
97.06520	3.0
97.10177	5.4
98.20359	1.1
105.07069	7.2
107.08608	6.6
109.06502	1.6
109.10164	10.2
111.08102	1.3
113.61849	1.0
117.07084	1.4
119.08595	1.4
121.10126	2.2
122.56968	1.2
123.11733	13.4
131.08588	1.6
133.10147	11.8
134.48932	1.1
135.11699	2.3
139.65341	1.1
149.13263	2.8
151.11234	5.8
159.11688	1.7
183.13841	3.5
187.13353	2.7
195.13867	2.8
233.60855	1.1
239.23769	2.0
257.17557	2.0
269.17642	5.5
283.26343	1.9
301.20117	20.4
313.27414	24.7
391.29294	1.1
455.05115	1.2
468.55850	1.1
481.38937	100.0
482.39240	1.2
495.40637	5.1
507.40408	3.7
539.43140	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01355	3.2
53.03943	14.2
55.01875	10.4
55.05521	24.4
57.03444	34.7
59.05008	4.4
60.28382	3.4
61.02937	35.8
66.09507	3.8
67.05508	65.0
68.60690	4.1
69.03439	86.6
69.07069	18.2
71.01355	9.5
71.05008	18.7
71.50963	5.5
73.02923	23.7
79.05500	48.0
81.03420	92.4
81.07063	100.0
82.57027	3.3
83.04982	33.5
83.08632	21.7
85.02916	72.7
85.06571	4.0
87.04456	4.6
91.03953	16.1
91.05492	46.1
91.63642	4.2
93.07050	66.5
95.04967	17.3
95.08617	33.8
97.02900	94.3
97.06516	17.2
97.10151	4.5
99.04473	19.7
99.08096	7.3
101.02383	15.3
103.03922	9.8
105.07049	24.5
107.04947	11.7
107.08598	40.0
109.02902	33.9
109.06528	9.3
109.10133	10.6
111.04450	18.0
111.08078	11.0
115.03941	6.2
115.88576	4.0
117.07020	23.1
119.08579	14.9
121.06538	14.1
121.10157	21.2
123.04463	4.0
123.08040	5.7
123.11726	11.5
127.03917	51.2
129.05453	21.0
129.06967	7.0
131.08606	27.3
133.10133	25.8
135.08011	9.3
135.11700	18.7
137.05965	4.5
139.03896	7.5
143.08681	4.9
145.04958	7.3
145.06572	6.6
145.10181	6.9
147.08147	4.5
147.11681	15.1
149.05968	4.1
149.13248	34.8
153.01880	6.3
155.26196	4.1
157.06516	4.0
157.10104	6.9
157.39751	3.7
159.11703	34.0
163.11266	3.7
165.12743	9.9
171.11668	4.4
173.04594	4.1
173.13182	7.6
175.11206	4.8
177.12735	22.7
183.06543	15.0
193.12125	4.3
194.11775	3.6
195.13817	51.2
201.07541	9.0
213.14859	17.1
267.16055	6.5
269.17517	64.5
275.16510	5.8
275.20099	4.3
293.17685	5.9
297.17001	8.9
303.15872	5.8
321.16910	8.8
335.18588	6.9
339.18039	24.0
377.19589	11.0
395.20676	24.4
413.21658	74.0
443.97342	4.2
542.67987	4.3
575.26361	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	573.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
53.03957	8.7
55.01875	22.7
55.05513	40.1
57.03432	5.8
57.07066	5.4
65.03933	5.3
67.05507	81.1
69.03418	4.5
69.07068	29.5
71.04979	5.1
71.08620	1.6
73.54749	1.5
77.03914	1.7
79.05496	100.0
81.03410	10.5
81.07060	81.5
83.04993	16.1
83.08619	20.0
85.06528	5.0
88.76311	1.7
91.05480	83.6
93.07046	82.5
95.04967	20.9
95.08610	48.2
97.06530	33.2
97.10179	12.7
99.08095	3.4
103.05455	4.9
105.04514	2.9
105.07030	69.7
107.04955	26.8
107.08597	44.7
109.06524	17.1
109.10151	20.0
111.04439	1.6
111.08090	4.8
115.05461	2.7
116.06239	2.4
117.07006	17.3
119.08585	47.0
121.06515	8.7
121.10150	19.3
123.08046	8.7
123.11695	4.7
125.09631	9.7
127.07579	1.7
128.06203	3.0
129.07004	16.4
130.07834	2.2
131.08557	24.6
133.06538	2.7
133.10133	32.9
135.08057	7.2
135.11691	10.2
136.07420	1.6
137.09619	5.0
141.07001	5.2
143.08574	14.7
145.06523	2.1
145.10139	27.8
147.08060	4.4
147.11691	38.0
149.09618	27.9
149.13275	3.4
151.11169	4.4
153.07074	1.9
155.08536	1.7
156.09305	1.9
157.10135	6.6
159.11700	15.2
161.09624	6.0
161.13242	15.8
163.11191	16.4
165.09145	3.1
165.12679	3.3
169.10150	5.2
171.11665	26.9
173.11943	1.8
173.13228	7.5
175.11299	2.3
177.12814	2.0
179.14378	4.0
183.11755	3.6
185.13266	1.8
187.11211	2.9
187.14885	2.5
189.11151	6.0
189.12746	8.7
197.13249	3.0
201.12747	2.6
207.13831	16.6
209.13184	1.8
213.16394	2.1
217.16077	2.1
227.12787	15.6
229.19597	2.9
239.17917	4.7
247.20619	3.2
257.19031	12.2
267.15854	2.1
273.18445	3.4
275.20071	85.3
276.20230	1.7
281.17468	55.5
293.21146	6.0
349.23676	25.1
377.23129	3.6
451.26810	4.6
475.30774	2.0
537.35461	3.3
541.35284	3.5
555.36890	36.4
573.37567	19.3
573.48621	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	572.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.05515	46.4
57.07080	17.3
59.04999	8.5
67.05505	4.0
69.07071	30.5
70.01849	1.1
71.08640	2.6
71.51875	1.9
79.05502	2.4
81.03398	1.3
81.07052	8.2
83.08624	100.0
87.04462	2.6
89.06038	30.6
91.05508	2.2
93.07039	1.8
95.04966	1.2
95.08601	3.4
97.10174	28.8
99.45177	1.2
105.07037	2.2
107.08575	2.5
117.09114	1.5
119.08610	1.8
121.06565	1.3
128.84576	1.2
133.08623	18.2
139.14841	2.0
153.07195	1.3
155.14308	2.8
156.94571	1.2
157.15894	20.3
159.11725	1.6
175.16913	1.6
176.98033	1.4
177.11226	10.0
215.20105	10.0
221.13774	1.9
273.24313	4.7
283.17526	10.9
297.34937	1.2
299.47549	1.2
341.21637	2.6
397.83960	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.304
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.03942	1.4
55.01861	1.5
55.05517	6.2
56.12581	1.0
57.03450	6.1
57.07084	34.2
67.05509	18.6
69.03429	1.2
69.07071	8.3
71.04981	1.9
71.08640	20.9
71.50887	1.2
77.71262	1.1
79.05505	10.7
81.03415	6.0
81.07065	20.3
83.04969	1.9
83.08627	10.7
85.06527	1.0
85.10197	11.5
89.06032	2.4
91.05492	7.7
93.07063	9.5
95.04957	2.7
95.08616	21.9
97.06547	2.3
97.10159	4.1
98.97872	2.0
98.98481	31.1
105.07049	7.3
107.04956	2.2
107.08635	6.2
109.02892	5.6
109.10170	10.6
111.08109	1.1
117.07024	2.7
119.08578	4.9
121.06441	1.0
121.10163	4.5
123.08104	1.4
123.11719	3.4
125.09678	1.3
129.07045	2.6
131.08583	3.9
133.10127	4.2
135.11691	2.8
138.81662	0.9
139.03922	1.4
143.08566	1.5
145.10165	2.9
147.11719	2.8
149.09608	1.5
155.01068	21.6
157.10233	1.0
159.11673	1.4
171.11699	1.8
173.02103	1.9
173.13313	1.7
211.25818	1.0
239.23773	5.3
261.03906	2.4
261.22150	2.1
275.20020	4.3
281.17569	2.3
313.07123	1.0
313.27393	100.0
314.27805	1.5
317.06357	2.9
317.24551	1.4
335.07260	2.5
393.23984	3.7
401.28983	2.4
537.28162	1.8
550.53119	1.1
573.40125	1.6
573.48737	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52015	1.0
53.03938	1.1
55.05500	3.2
57.03429	1.2
57.07076	53.0
58.14790	0.8
58.36332	0.9
59.04716	1.2
59.05002	21.1
64.30029	0.9
67.05520	6.9
69.03442	1.1
69.07077	5.8
69.58813	5.8
71.08632	99.3
73.06551	3.0
79.05071	0.9
79.05489	5.2
81.03425	1.4
81.07056	4.7
82.07405	1.3
83.04956	1.7
83.08619	2.9
85.10184	52.7
87.04472	8.1
89.06033	100.0
91.05477	4.2
93.07041	4.6
95.04973	1.8
95.08588	3.0
97.06548	0.9
97.10173	1.8
98.20783	1.8
103.07572	6.2
105.07034	5.4
106.07378	1.1
107.04909	1.6
107.08606	2.0
111.89920	1.0
117.07043	0.9
117.09114	2.6
119.08540	3.2
120.08946	1.0
121.79485	0.9
122.76268	0.9
127.14828	6.3
130.08614	1.7
130.55252	1.0
131.07025	4.5
133.08607	74.7
145.10127	1.6
147.11719	1.8
159.11792	1.1
161.11647	1.1
171.11749	1.9
175.09685	2.9
175.11069	1.0
177.11234	31.9
185.18996	6.5
205.15974	0.9
221.13857	5.9
223.13550	1.1
229.21681	4.4
239.14903	1.9
265.16501	1.9
273.18451	1.2
274.19043	1.2
276.20291	1.0
280.16443	0.9
283.17447	3.1
291.19464	3.5
292.19867	3.5
327.20068	3.1
353.21719	2.1
371.22733	14.9
411.25800	2.2
435.15399	0.9
555.41107	3.0
572.36017	7.9
572.44397	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	11.7
57.03419	5.4
57.07080	100.0
58.04208	8.4
59.05006	64.1
67.05493	10.9
69.07072	14.6
71.08637	99.5
71.51654	2.4
71.52235	3.4
72.05766	6.2
73.02921	4.9
73.06544	3.4
79.05497	12.3
81.07063	15.7
83.08629	12.5
85.06548	3.0
85.10185	92.7
86.07319	3.7
87.04455	8.0
87.08099	3.9
89.06040	21.7
90.01920	30.8
90.06351	2.7
91.05482	12.3
93.07053	11.8
95.08630	15.4
97.10170	6.3
99.11730	11.8
100.08894	2.9
101.06009	4.3
101.09661	4.6
103.07596	3.9
105.07043	9.2
107.08588	11.0
109.10126	7.0
111.11705	4.5
116.08387	2.7
117.07019	2.9
117.09138	20.0
119.08585	12.1
121.10149	8.3
123.11724	2.7
131.07091	3.0
131.08575	4.6
133.08612	7.7
133.10123	7.5
134.08839	2.6
135.11699	4.5
137.09612	3.2
138.14035	3.4
141.16379	11.5
143.08585	3.5
145.10165	5.7
147.10245	2.9
147.11638	5.2
151.07581	3.6
157.10065	4.5
159.11656	3.6
161.79172	2.7
165.09105	8.2
198.49100	3.0
199.20592	13.3
221.15355	10.8
222.09735	8.3
232.16544	2.9
240.10934	3.1
257.24734	16.9
263.18323	2.7
276.90945	3.9
300.03546	2.3
317.24701	2.7
420.36996	5.5
565.90967	9.1
571.40375	6.1
571.48010	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	572.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.8
53.03955	0.8
54.03484	1.3
55.01883	0.8
65.03943	0.6
68.99809	2.3
69.03420	0.9
70.06596	100.0
71.06910	0.7
71.51441	1.1
79.01842	0.7
79.05492	2.0
81.03408	1.0
81.07063	1.2
83.04967	0.8
84.08136	0.5
85.25616	0.6
86.06065	0.9
91.05489	3.0
93.07043	2.4
95.04986	1.1
103.05479	1.4
105.04536	0.6
105.07032	1.9
105.12366	0.6
107.04983	2.1
109.06530	0.8
112.07573	0.5
114.09167	2.7
117.90562	0.6
120.33642	0.6
121.02964	0.6
121.06513	5.6
121.18913	0.6
123.04436	2.3
125.02335	0.7
125.05988	1.3
129.07024	0.8
131.04945	1.2
131.08585	0.6
133.02786	0.6
133.06490	1.8
135.04440	4.9
136.07582	0.8
137.05981	1.0
138.09172	0.8
139.03911	22.4
141.05499	0.8
143.03400	1.2
145.06499	0.7
147.04376	0.9
147.08069	0.7
149.05994	8.5
151.03903	5.5
151.07484	1.3
153.01837	19.1
153.02917	1.0
159.04417	0.7
161.06032	3.8
163.03912	8.1
165.05493	2.5
168.72107	0.6
175.07520	2.9
177.05478	77.7
178.05919	0.7
179.07025	4.6
181.04999	1.7
189.05461	5.1
191.06966	0.8
193.08649	1.4
196.69745	0.6
201.05472	0.7
203.06953	0.6
205.04958	3.0
208.09586	0.8
219.06636	1.1
221.08119	23.5
222.08363	0.8
225.97641	0.5
230.07938	0.7
234.11259	5.4
236.38010	0.6
250.10855	1.6
252.12292	0.7
309.07758	0.6
315.09259	0.7
327.08734	6.2
345.09573	2.0
347.12216	0.9
371.11221	4.3
384.14291	3.5
402.15436	0.9
497.10907	5.5
554.16577	44.3
555.16382	1.4
572.16809	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	571.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.4
57.03437	2.7
57.07080	100.0
58.04222	6.0
59.04713	1.8
59.05003	33.2
60.75251	1.0
67.05524	5.6
69.07075	5.6
69.18308	12.9
71.04990	2.1
71.08637	76.4
72.05782	6.0
72.34908	1.2
73.02915	2.5
73.06550	4.5
79.05496	4.8
81.07053	5.6
83.08638	6.3
85.06554	1.7
85.10188	65.4
86.03727	1.3
86.07322	1.3
87.04478	10.0
87.08112	2.6
88.05257	1.9
89.06021	13.1
90.01925	24.5
91.05469	3.6
93.07053	4.6
95.08614	5.8
97.10164	5.7
99.11729	12.3
100.08868	1.7
101.06019	2.2
101.09648	2.2
103.07581	5.2
105.07040	4.3
107.08590	4.3
109.10144	2.7
111.11731	2.1
113.13283	3.9
116.08385	2.1
117.07064	1.3
117.09161	10.3
119.08592	3.7
119.10755	1.3
121.10157	2.9
123.08102	1.1
127.49590	1.1
129.07008	1.3
131.08566	2.9
133.08633	6.7
133.10100	2.6
134.08891	1.4
135.10155	1.3
143.08553	1.5
145.10085	3.3
152.15581	3.2
155.17986	6.6
157.10167	1.7
159.11693	2.0
177.11267	2.2
178.07101	4.9
179.12805	1.5
183.17456	4.2
208.15512	1.6
209.13681	1.8
211.29616	1.2
212.21304	2.6
213.22131	12.7
221.15396	2.6
222.09766	3.1
237.16901	2.2
248.87952	2.0
266.12195	1.8
267.17966	1.5
271.26331	6.1
276.90979	3.5
284.13470	4.5
292.79239	1.2
313.27802	1.2
318.92029	2.0
349.01242	1.2
420.36792	6.7
565.91028	4.9
571.47406	2.0
586.17957	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.135
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49695	2.4
80.56983	1.4
82.06605	1.3
82.26511	1.8
82.99870	3.7
84.04514	2.1
94.85927	1.5
97.02869	1.8
98.97588	2.2
101.00896	19.7
105.57529	1.3
113.00830	3.9
115.02404	2.3
119.01929	27.0
127.02473	4.0
131.01927	10.7
133.03484	3.8
133.04573	1.4
137.00873	1.4
137.03029	1.8
137.06012	2.3
138.05472	2.6
139.02420	3.6
141.04007	4.6
143.01910	31.3
145.03465	14.0
155.01886	19.1
157.03453	10.4
159.05046	5.4
161.02960	23.7
165.04036	3.5
167.01918	16.7
169.03477	6.8
171.01463	2.5
171.05034	4.6
173.02966	23.4
175.04552	3.0
179.01892	7.2
181.03464	4.2
183.04991	11.1
185.02966	54.1
185.04616	2.8
187.00894	2.3
187.04523	5.2
189.02452	2.5
192.67883	1.9
197.02985	16.5
199.00920	2.3
199.04501	7.1
201.02451	2.7
201.06007	2.3
203.03989	19.8
204.08609	2.0
209.02988	5.3
211.00897	2.1
211.04547	1.6
215.00398	3.5
215.03989	11.3
217.02031	2.1
217.05630	1.7
219.01715	2.0
221.05081	3.6
227.04028	47.4
229.01979	9.2
231.03578	2.7
239.03938	4.3
245.05101	100.0
246.05408	4.2
247.02985	5.0
253.01947	7.0
257.05029	9.6
259.02936	2.3
263.06152	11.2
266.95630	1.8
271.02988	17.9
275.03210	2.7
275.06152	14.9
283.03082	2.6
289.04108	17.2
293.07153	2.9
301.04050	6.4
303.05484	1.8
305.07257	9.6
307.05441	7.5
319.05084	4.8
329.07025	1.8
331.05127	12.4
335.08133	4.0
349.06015	8.9
355.05115	9.3
365.09305	15.4
373.06177	23.7
377.05649	3.8
391.07245	49.6
391.12335	2.6
409.08136	4.0
469.10422	2.1
509.13730	1.7
511.11081	3.3
553.12335	4.6
571.13068	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	570.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88475	0.8
55.05498	1.5
57.03440	8.7
65.03933	2.0
69.03426	1.8
69.24052	1.6
69.24457	6.5
70.06585	2.0
71.04997	59.7
73.02917	2.4
74.69999	0.8
75.04471	3.0
79.05501	1.2
81.03413	0.9
83.04992	6.0
85.02910	77.3
86.09720	2.5
87.04475	1.4
89.99903	1.0
91.05486	100.0
92.05833	1.0
93.07083	1.9
96.44736	1.0
97.02889	4.4
99.04420	1.4
105.07036	2.4
107.08585	1.0
111.04436	3.0
121.06504	0.9
121.10210	0.9
123.04417	1.1
127.03927	2.9
129.05489	31.6
129.06931	1.3
139.03883	1.0
145.04858	1.0
147.06519	14.0
151.72220	1.1
153.01802	2.2
154.08650	2.5
164.09137	1.4
167.03406	1.5
184.07430	2.2
225.91168	1.0
245.08090	3.4
249.88875	1.0
255.06526	2.4
256.06897	4.0
302.10992	0.9
538.21179	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.7
57.03384	0.7
65.03905	0.9
67.05484	0.9
69.07031	0.8
69.59852	3.5
70.06539	1.7
81.03396	0.8
81.07073	3.4
85.02863	0.7
93.07021	1.9
95.08592	1.6
98.34645	0.7
99.76768	0.8
105.07004	2.0
116.04928	0.9
119.08533	0.9
120.04482	0.9
121.02811	2.2
121.06534	1.0
121.10112	1.5
123.06776	1.2
123.11692	1.8
133.10081	0.8
138.09103	2.1
144.04356	1.5
146.06032	0.9
147.11641	3.0
152.07037	1.0
153.01773	3.1
154.08586	3.0
156.10234	5.5
156.87794	0.9
164.00098	0.7
165.12788	0.9
167.07040	0.8
168.10156	3.2
172.03917	7.7
180.08052	1.0
182.04472	0.8
190.04971	2.4
204.06584	2.1
206.08318	2.4
207.09105	1.8
221.10754	6.2
222.09303	1.6
223.08727	1.5
232.09972	1.1
233.10712	1.0
234.07741	3.5
235.08626	6.9
236.09370	2.3
237.10185	2.8
246.81342	0.7
247.08476	1.2
248.09438	2.7
249.10248	46.3
250.11040	4.3
251.08241	4.4
251.11829	2.1
257.09268	0.8
261.10242	1.7
263.08170	14.8
264.08820	3.5
265.09637	2.3
267.11301	1.7
267.15942	1.3
268.09695	1.1
277.09732	77.1
278.07571	1.0
278.10468	5.7
279.08173	0.7
279.11206	4.3
281.09296	3.5
283.10675	2.0
289.09790	1.9
290.08072	2.3
291.04367	1.3
291.07629	24.9
292.08496	6.3
295.10849	8.9
296.11377	0.9
305.09161	9.6
307.10767	3.0
309.08643	6.1
309.12323	6.1
310.09311	3.5
315.07349	0.9
322.10751	2.9
323.10260	98.2
324.10880	1.9
327.13239	0.8
333.08569	3.9
337.11823	5.2
339.13345	2.0
340.13950	1.0
341.11121	4.8
341.20059	0.8
351.09702	7.2
355.12894	40.7
359.16483	1.1
359.20538	4.8
365.11395	9.3
368.13586	1.2
383.12393	57.6
397.14014	7.4
401.13358	5.2
414.05536	0.8
415.15009	100.0
416.15457	1.0
506.19031	2.5
538.21783	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	570.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44817	4.2
55.05533	6.7
57.03425	6.0
57.42191	4.0
59.06630	4.7
67.05511	9.0
69.03416	16.7
69.07066	13.3
70.06589	22.4
70.85104	7.3
70.85419	7.9
71.04995	50.3
73.02903	6.4
75.07430	4.4
79.02201	4.3
81.07056	13.9
83.04994	7.5
84.08148	7.2
84.90090	5.5
85.02914	95.6
87.00852	5.9
89.02534	5.9
91.05495	100.0
93.07076	8.9
95.05006	6.8
95.08605	8.3
97.02909	5.0
105.01914	8.1
105.07069	6.4
107.04925	7.4
107.12604	4.7
109.02888	7.1
109.10192	4.6
111.04420	5.3
119.08544	5.3
121.06509	13.7
127.03909	15.1
129.05487	21.5
133.10191	8.0
137.06003	7.5
139.03868	11.0
145.04930	5.5
147.04411	7.1
147.06531	14.3
153.01833	12.6
201.40504	4.5
213.12563	4.7
269.08115	7.7
323.10202	7.7
337.10776	7.6
355.12894	6.7
387.14566	5.7
415.14911	9.9
538.21259	7.2
570.23853	18.7
570.32666	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	569.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.1
55.01870	2.0
55.05518	17.0
57.03432	5.1
57.07079	5.6
64.05805	1.8
67.05508	44.3
69.03432	23.9
69.07063	16.3
69.19830	9.2
69.20255	9.1
70.06590	1.9
71.08627	4.1
75.08367	1.7
79.05500	32.6
81.07054	47.0
83.04971	4.8
83.08627	6.1
85.06564	2.0
85.10178	3.0
88.07650	3.1
89.06033	2.8
91.05486	32.3
93.07049	38.9
95.04990	4.4
95.08611	29.6
95.09177	2.6
97.06549	4.7
97.10161	4.3
102.09192	4.0
105.07037	22.6
107.08604	21.6
109.06527	2.0
109.10163	11.9
111.08102	2.6
117.07011	10.5
119.08591	22.1
121.10183	16.7
123.08100	3.6
123.11670	4.2
128.06223	5.3
129.06998	13.4
131.08572	21.6
133.08688	3.0
133.10114	18.0
135.08090	2.5
135.11708	8.3
141.07050	4.3
142.46310	1.9
143.08560	15.9
145.10112	21.6
147.11737	7.7
149.13261	3.1
151.11165	2.5
155.08580	7.0
157.10173	12.6
159.11708	12.1
161.13263	2.4
169.10138	7.1
171.11656	10.6
173.13269	7.3
175.14940	3.2
181.10161	4.7
183.11694	7.3
185.13316	6.3
187.14902	5.4
189.16377	2.3
195.11761	2.9
197.13277	5.5
199.14789	9.2
200.88882	1.8
201.16348	2.1
217.15833	4.4
221.27953	1.9
225.16469	3.0
235.16927	12.1
245.08984	1.9
261.22314	2.6
284.29562	4.4
285.29834	4.0
311.29739	4.9
312.29715	3.9
313.33099	2.4
349.02255	2.5
363.54593	2.0
477.37527	12.8
495.38342	4.6
551.40967	8.3
568.56842	5.5
569.42078	100.0
569.56158	23.0
570.42664	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	569.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66354	0.4
54.15809	0.4
55.05521	0.6
67.05515	0.9
70.59557	1.5
77.59068	0.4
81.07088	0.8
91.03947	0.5
93.07042	0.8
95.08591	0.5
98.20723	0.4
101.71391	0.4
103.26273	0.5
109.10199	0.5
111.06355	0.5
185.04265	1.5
201.03786	0.6
247.13136	0.6
259.08240	0.5
275.07288	0.5
298.10995	0.5
321.16751	2.3
331.10083	2.3
349.16208	0.6
407.24078	0.7
453.20984	2.1
455.22672	0.9
457.20673	0.8
471.21991	4.6
482.21460	0.6
483.22034	100.0
484.22491	1.6
551.28357	9.0
569.29260	19.5
569.78870	0.5
570.29968	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.8
53.18751	0.4
55.05507	1.3
57.07080	2.4
63.79215	0.4
64.00551	0.4
67.05507	3.6
69.07075	0.9
71.08641	1.2
76.49833	0.5
79.05492	2.4
79.36137	0.4
81.07074	3.3
81.26128	0.4
83.08592	0.5
83.51115	0.5
85.10213	0.5
89.06030	1.9
91.05482	2.5
93.07055	3.0
95.08618	2.2
98.20787	1.1
105.07028	2.3
106.07364	0.7
107.08604	1.9
109.10166	1.2
109.86650	0.5
117.07058	0.8
119.08630	3.0
120.08936	0.7
121.10159	1.8
129.06987	0.7
131.08585	1.7
133.08589	0.8
133.10153	1.6
135.11655	1.1
143.08594	1.0
145.10133	1.8
146.10437	0.6
147.11740	0.6
155.08601	0.5
157.10103	1.2
159.11725	1.1
169.10194	0.8
171.11569	0.5
173.13297	0.8
181.10254	0.5
196.28279	0.5
197.13310	0.5
198.13583	0.5
199.14874	0.6
211.14879	0.8
394.27271	0.5
551.41193	0.7
569.40314	100.0
570.40790	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	569.2935
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
69.30892	0.8
69.31285	2.9
81.07054	0.4
96.01877	0.4
105.07055	0.5
115.38407	0.4
120.94519	0.4
127.28377	0.3
185.04312	1.1
201.03662	0.9
203.05319	1.0
211.84674	0.4
220.51445	0.4
259.07928	1.2
331.10086	2.0
333.20367	0.4
387.16183	0.5
407.24072	2.2
427.19049	0.4
441.21014	2.8
457.20209	0.4
471.22086	0.6
499.21597	1.2
500.22870	0.5
569.29370	100.0
570.29669	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	569.2937
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
52.67706	0.3
69.07081	0.6
69.22355	2.5
69.22762	0.8
72.08166	0.4
78.01865	0.3
81.07072	0.6
87.85320	0.4
91.05449	0.5
93.07044	0.4
94.32113	0.3
95.08601	0.5
95.67571	0.3
105.07025	0.5
109.10144	0.4
119.08579	0.7
137.06006	0.6
153.01817	0.4
203.05283	1.1
216.92574	0.4
227.78542	0.4
259.08060	1.0
303.05042	0.3
321.16907	0.7
389.22430	0.3
407.23935	1.8
481.24164	0.7
483.22058	8.6
569.29370	100.0
570.29456	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84083	0.4
67.05477	0.5
68.83699	0.4
69.54634	0.7
69.55047	2.4
74.90324	0.5
81.07078	0.8
85.15833	0.4
93.07075	0.6
95.01054	0.5
98.21490	0.9
127.51292	0.4
156.57120	0.4
184.03513	0.6
185.04161	0.6
201.03781	0.6
202.25072	0.5
203.05347	1.7
259.07974	2.3
303.15692	0.9
321.16660	3.1
331.10083	1.2
349.16565	0.5
382.35345	0.5
453.20938	1.9
455.22443	0.6
457.20493	0.8
471.21994	3.5
481.23972	0.5
483.22043	100.0
484.22519	1.1
551.28259	10.3
569.29236	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	569.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03960	2.5
55.01863	0.4
67.05499	1.2
68.14897	0.3
68.99780	0.6
69.03433	1.8
69.07045	0.8
70.06578	0.5
71.04985	0.6
71.50822	0.7
73.02917	0.4
79.05482	1.7
81.03421	3.8
81.07049	1.0
83.04990	0.7
84.08113	0.4
85.02921	2.6
85.03352	0.5
91.05479	1.0
91.89256	0.4
93.07031	1.0
95.04978	2.4
95.08627	1.2
96.85278	0.3
97.02889	2.5
99.04451	0.7
105.03398	40.1
105.04530	1.4
105.07019	0.9
107.08578	1.0
109.02883	1.8
109.10157	0.6
112.59592	0.4
118.33374	0.4
118.86404	0.3
119.04928	0.3
119.08582	0.7
121.02879	0.4
121.06475	0.7
123.04422	2.1
127.03920	2.2
131.04939	0.5
132.81610	0.3
133.02875	0.4
133.06522	0.5
133.10086	0.4
134.06741	0.3
135.04424	0.8
137.02394	0.4
137.05969	1.2
139.03870	0.6
145.04982	0.8
147.04471	0.6
147.11732	0.4
149.09659	0.4
151.03915	1.6
151.07597	0.4
153.00606	0.3
153.01837	6.5
161.13348	0.4
163.03906	0.7
167.07051	0.7
181.04942	0.6
188.38435	0.4
189.12846	0.4
191.70406	0.4
195.02875	0.5
203.03456	0.9
207.06711	0.4
229.05060	1.0
230.44539	0.4
233.22328	0.3
249.07610	4.0
255.06589	2.4
257.04431	1.5
267.08643	0.7
275.98877	0.4
302.04062	0.5
303.05005	100.0
304.05304	1.5
442.89032	0.4
569.12732	3.4
569.29675	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97313	0.3
53.03954	0.6
55.01876	0.7
55.05519	0.4
57.03433	0.4
60.08141	0.3
64.93658	0.2
65.03947	3.0
65.74960	0.2
66.37833	0.2
67.01871	0.6
67.05500	0.3
68.99783	0.5
69.03423	1.4
69.07053	0.5
69.47731	0.6
69.48145	1.1
70.06593	0.7
71.01349	0.2
71.26784	0.2
72.08159	0.6
73.02929	0.4
74.43715	0.2
79.01831	0.4
79.05484	0.5
81.03426	4.1
81.07066	0.9
84.08137	0.5
85.02897	1.7
86.09695	0.8
91.05490	0.6
92.09493	0.2
93.07040	0.9
95.04980	1.8
95.08620	0.6
97.02908	2.0
99.04466	0.7
101.52438	0.3
104.10716	1.4
105.07043	0.9
107.04967	0.4
107.08580	0.6
107.43387	0.3
109.02888	1.9
109.06576	0.3
109.10131	0.3
111.04456	1.3
117.06966	0.2
119.08622	0.5
121.02878	69.8
121.03903	2.3
121.10165	0.6
122.28447	0.2
123.08100	0.4
124.99976	0.4
127.03930	1.3
133.10130	0.5
135.04443	2.2
135.11754	0.3
137.02365	0.5
137.05983	0.7
137.09680	0.3
139.03923	6.0
141.01811	0.2
145.04935	0.3
145.10101	0.3
151.03925	0.7
153.01852	6.6
159.11690	0.4
163.11128	0.3
167.07013	0.5
171.02893	0.4
175.11288	0.3
179.03383	0.4
180.58257	0.3
181.05022	0.4
184.07381	1.5
193.08670	0.5
211.09641	0.8
241.04890	0.4
242.85332	0.3
265.07111	6.7
269.04193	0.5
283.08157	1.6
286.04834	0.4
287.05521	100.0
288.05841	2.0
312.42764	0.3
328.13577	0.5
340.13651	0.5
368.13336	0.6
407.15384	0.3
449.11124	1.2
537.20337	1.1
569.13086	2.4
569.25244	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.7
55.05515	10.1
57.07076	10.3
59.04995	1.9
65.03944	3.7
67.05504	17.6
69.03427	4.4
69.07072	14.1
70.06582	3.1
71.06931	3.6
71.08636	4.1
77.03896	1.7
77.62328	1.3
79.05490	25.9
80.06275	3.6
81.07059	32.6
83.04973	3.0
83.08627	7.7
85.06549	4.1
88.07634	3.1
89.07412	1.3
91.05486	43.9
92.06272	1.7
93.07049	51.8
94.07822	2.4
95.04975	34.3
95.08605	28.0
97.06496	2.9
102.09173	3.3
103.05486	3.5
105.07038	78.7
106.07838	3.9
107.08597	43.5
108.09362	2.5
109.06526	4.1
109.10156	21.0
111.08086	2.7
115.05450	4.8
117.07021	26.2
118.07791	3.5
119.08585	100.0
120.09407	6.4
121.06512	3.1
121.10143	30.0
123.08076	14.1
123.11695	6.0
125.09615	2.6
128.06224	10.5
129.07013	18.4
130.07822	11.5
131.08574	52.5
132.09367	10.9
133.09117	2.9
133.10135	56.9
134.10916	6.9
135.08069	8.4
135.11697	16.1
135.23172	1.3
137.09633	6.2
138.10442	7.3
141.06995	8.5
142.07794	16.5
143.08568	45.3
144.09351	14.9
145.10132	92.4
146.10876	5.6
147.08144	2.1
147.11700	22.4
148.12428	2.1
149.09636	5.3
149.13310	4.1
151.11200	1.6
153.07030	3.3
154.07768	3.9
155.08578	13.3
156.09343	19.4
157.10136	50.0
158.10918	10.9
159.11694	42.1
160.12439	1.9
161.09605	5.5
161.13245	7.9
163.11183	3.4
165.07033	4.9
166.07730	2.2
167.08606	5.6
168.09352	8.2
169.10124	25.6
170.10910	9.1
171.11703	33.4
172.12462	6.2
173.13281	25.1
174.14095	1.4
175.11099	3.2
175.14836	20.9
177.12779	5.6
179.08549	11.5
180.09367	4.4
181.10121	17.4
182.10867	8.3
182.90945	1.4
183.11705	26.8
184.12575	6.5
185.13274	24.8
186.14105	7.2
187.11183	1.7
187.14824	12.9
189.12761	3.8
191.14320	11.0
192.15097	1.9
193.10104	8.5
194.10909	9.4
195.11703	18.7
196.12483	8.0
197.13277	28.3
198.14058	4.2
199.14847	10.1
200.15623	1.7
201.12814	4.1
201.16302	6.4
203.14342	4.0
204.15227	1.8
205.10056	1.8
205.15811	2.3
206.10876	1.7
206.16693	1.6
207.11699	12.4
208.12498	7.8
209.13271	28.7
210.14044	3.9
211.14828	22.0
212.15462	1.9
213.16405	4.8
215.14320	3.3
215.31979	1.2
217.15910	5.7
219.17432	3.8
220.12570	3.7
221.13217	8.0
223.14803	11.8
224.15633	4.4
225.16446	6.9
227.17854	2.5
229.15939	1.5
231.17415	2.5
233.13280	3.3
235.14822	6.2
236.15715	1.8
237.16463	7.7
239.17975	5.9
241.19562	3.9
247.14925	3.9
249.16393	5.3
251.17885	3.6
253.19456	2.1
255.17581	1.8
257.19080	3.8
259.20523	4.3
260.15692	1.5
261.16418	3.7
262.17053	1.8
263.18005	7.5
265.19516	4.9
267.21100	2.8
269.19162	1.9
273.16455	2.6
275.17960	3.8
277.19595	4.0
279.21097	2.8
281.19049	2.0
282.19635	1.9
283.20584	3.3
283.26361	2.8
284.29538	7.9
285.22144	3.9
294.81134	1.4
295.20709	2.0
297.22092	2.4
305.22702	2.2
311.29401	7.9
312.32608	3.2
323.23703	7.4
327.21155	1.4
336.24130	1.6
337.25220	1.9
338.26041	39.9
349.25452	1.8
351.26974	1.8
420.29965	1.6
430.32266	15.5
476.36478	15.5
568.42908	26.5
568.56537	26.2
582.22632	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41002	1.4
53.03928	3.8
55.05508	12.3
56.54808	1.3
57.07084	17.6
59.05001	2.2
62.16957	1.5
65.03929	2.3
67.05167	2.0
67.05509	20.2
68.57125	1.5
69.03419	3.3
69.07074	13.7
69.58788	10.2
70.06584	5.7
71.05013	1.9
71.08628	6.0
74.75562	1.5
77.03922	1.7
79.05499	24.4
80.06278	2.2
81.07063	35.8
83.04967	2.5
83.08617	5.9
85.06536	4.1
85.10183	2.1
88.07639	7.6
88.61229	1.5
89.06014	1.8
91.05487	47.8
92.06252	2.9
93.07049	57.2
95.04975	38.3
95.08614	32.9
97.06519	2.3
97.10150	1.5
102.09181	5.5
103.05514	3.1
104.06203	1.9
105.07037	85.8
106.07828	3.7
107.04933	1.8
107.08604	41.2
109.06500	4.4
109.10162	20.4
109.46265	1.8
110.07323	2.5
115.05447	6.0
116.06193	1.5
117.07027	33.4
118.07798	2.6
119.08587	100.0
120.09394	7.7
121.06509	2.9
121.10155	34.6
121.11028	2.3
123.08099	16.6
123.11704	6.3
125.09644	2.2
125.47135	1.5
128.06241	12.1
129.07016	17.1
130.07785	10.1
131.08572	55.1
132.09343	10.7
133.08621	2.4
133.10132	57.4
134.10851	5.6
135.08081	7.8
135.11725	13.1
137.09634	5.7
138.10402	7.6
139.11186	3.7
141.06972	8.5
142.07797	17.8
143.08569	43.4
144.09375	14.3
144.47084	1.5
145.10135	88.5
146.10901	4.2
147.08093	2.2
147.11687	22.0
148.12534	1.7
149.09625	4.0
149.13263	4.7
151.11212	2.5
153.07042	3.0
154.07849	3.6
155.08556	15.4
156.09334	16.2
157.10138	49.3
158.10939	11.6
159.11702	37.1
160.12439	4.6
161.09613	7.6
161.13260	10.3
163.11142	2.0
165.07013	6.2
167.08597	8.2
168.09348	6.5
169.10149	29.6
170.10901	7.9
171.11705	40.4
172.12476	5.0
173.13280	31.1
174.14014	1.8
175.14839	20.2
177.12764	5.1
179.08539	9.2
180.09306	4.9
181.10150	18.6
182.10934	10.1
183.11700	28.1
184.12506	4.7
185.13268	26.0
186.14026	8.0
187.14839	13.3
189.12762	3.9
191.14357	9.8
192.09372	3.6
192.15126	2.8
193.10181	9.1
194.10892	7.4
195.11673	18.8
196.12454	7.5
197.13272	29.9
198.14003	5.7
199.14835	13.5
200.15627	2.6
201.12799	3.4
201.16345	7.8
203.14272	3.3
206.10881	4.2
207.11674	11.1
208.12445	5.3
209.11452	2.9
209.13261	22.5
210.13943	4.4
211.14827	17.6
212.15663	2.1
213.12808	1.9
213.16400	6.1
215.14276	1.8
217.15904	5.2
218.11133	1.4
219.11720	3.9
219.17372	2.5
220.12527	3.4
221.13242	8.6
222.13997	4.0
223.14900	11.6
224.15564	4.0
225.16362	8.5
226.17236	3.1
227.14371	1.7
231.17595	3.6
233.13289	5.0
234.14047	2.4
235.14838	6.2
237.16426	8.4
239.17888	8.8
241.19559	2.7
245.13261	2.0
247.14838	4.6
249.16428	4.7
251.17970	3.7
253.19542	1.9
255.17416	2.9
259.20636	3.4
261.16324	3.3
262.17200	2.0
263.17941	3.0
265.19510	3.3
275.18030	2.2
277.19522	2.9
283.20615	3.5
283.26413	5.3
284.29517	13.7
285.22284	1.9
297.22137	3.5
302.30368	2.4
305.22702	2.5
309.22104	2.5
311.29474	18.9
312.32678	7.6
322.08142	1.7
323.23724	6.6
336.24155	1.9
337.25143	3.8
338.26053	35.9
349.25351	1.8
351.26834	4.1
420.30298	1.9
430.32388	11.6
474.93625	1.5
476.36560	13.5
568.43048	19.0
568.56586	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
53.51036	1.1
55.05514	12.8
57.07075	14.6
59.04992	1.9
59.15376	1.0
65.03923	2.9
67.05510	19.5
69.03428	1.3
69.07071	15.4
70.06586	4.3
71.04991	1.2
71.08606	2.9
71.24945	2.2
77.03921	2.0
79.05497	20.9
80.06268	1.3
81.06585	2.1
81.07056	30.6
83.04991	2.1
83.08624	8.0
85.06532	3.2
85.10197	2.2
88.07645	5.6
89.06022	1.1
91.05487	43.7
92.06281	1.6
93.07047	47.6
94.07814	1.5
95.04974	4.9
95.08613	32.6
97.06533	2.4
97.10175	2.0
102.09189	4.0
103.05454	4.7
105.07037	74.9
106.07815	3.7
107.08599	46.5
107.09193	0.9
108.09422	1.1
109.06533	2.7
109.10164	23.6
111.08089	3.6
115.05463	7.5
116.06231	3.8
117.07027	23.1
118.07732	1.0
119.08585	100.0
120.09383	9.9
121.06551	1.3
121.09322	2.2
121.10151	29.7
122.10387	1.3
123.08087	2.9
123.11713	6.6
125.09628	2.6
128.06207	9.3
129.07011	18.3
130.07794	7.2
130.12859	1.1
131.07585	2.4
131.08578	46.2
132.09357	4.0
133.10138	50.6
134.10893	3.0
135.08061	5.2
135.11690	19.0
137.09598	3.8
139.11198	1.5
141.06987	10.2
142.07784	18.5
143.08569	41.3
144.09358	9.0
144.38458	1.2
145.10126	65.3
146.10869	3.4
147.08035	2.7
147.11699	21.7
149.09622	5.6
149.13254	4.6
152.06122	1.2
153.07004	4.6
154.07770	4.5
155.08551	17.5
156.09357	20.7
157.10138	45.8
158.10951	11.3
159.11710	37.6
160.12474	3.1
161.09625	3.5
161.13240	8.9
163.11171	3.8
163.14839	1.7
165.07019	5.8
166.07796	3.2
167.08588	8.0
168.09358	7.4
169.10136	24.0
170.10912	10.7
171.11684	26.0
172.12473	5.3
173.13269	29.3
174.13966	1.4
175.11157	2.4
175.14828	21.8
177.12743	4.5
178.07770	2.2
179.08521	10.5
180.07918	1.4
180.09329	7.0
181.10138	19.3
182.10909	9.3
183.10077	1.8
183.11710	30.3
184.12448	5.7
185.13283	17.7
186.13979	2.5
187.14832	15.2
189.12750	3.6
191.14284	2.5
192.09346	3.1
193.10106	11.0
193.15900	1.3
194.10909	11.8
195.11707	21.5
196.12511	8.4
197.13277	21.6
198.14003	3.1
199.14836	9.3
200.15619	2.0
201.12746	5.8
201.16409	7.5
203.14342	5.1
205.10199	3.3
205.15865	1.6
206.10912	5.7
207.11710	12.9
208.12488	7.5
209.13287	27.1
209.15178	0.9
210.14034	3.7
211.14807	12.2
212.15613	1.4
213.12798	1.3
213.16388	5.2
215.14351	1.5
215.17995	1.4
217.10129	1.7
217.15910	8.0
218.10934	2.2
218.16631	1.4
219.11691	5.3
219.17485	3.8
220.12401	3.6
221.13264	7.5
222.14018	4.2
223.14809	12.4
224.15620	3.2
225.16484	6.7
227.14285	1.5
227.17918	1.6
229.15701	1.4
231.11671	3.1
231.17351	1.9
232.12459	2.5
233.13232	4.8
234.14076	2.6
235.14812	6.6
236.15489	1.3
237.16437	9.8
239.14273	1.7
239.17973	8.1
241.15942	1.8
241.19601	3.0
243.11687	2.0
244.12494	1.4
244.18269	1.1
245.13307	2.9
247.14827	6.5
249.16409	7.0
250.17316	1.8
251.17960	3.8
253.15939	1.6
253.19487	3.2
255.17497	5.6
257.19009	4.1
259.14908	3.3
259.20544	3.2
260.15698	1.5
261.16394	3.6
263.18015	3.8
264.18747	1.3
265.19589	6.2
269.19067	3.4
270.19736	3.2
271.14828	1.4
271.20609	2.6
272.21356	3.7
273.16284	1.8
275.18091	3.2
277.19650	1.6
279.20999	1.6
281.19092	1.8
283.20633	7.0
283.26315	4.6
284.21338	1.7
284.29453	7.4
285.22241	2.7
289.19357	1.9
291.21069	1.5
297.22226	2.7
301.19400	1.5
303.21228	2.0
305.22705	2.2
309.21942	1.4
311.23682	1.9
311.29437	8.1
312.32526	3.8
321.22446	1.4
323.23700	4.3
331.24023	1.8
338.25958	1.3
347.23544	1.6
349.25201	2.0
355.26273	2.2
362.26013	2.0
369.28088	1.4
370.28564	1.4
375.26846	1.9
401.28583	1.4
415.30032	3.1
443.33240	1.2
461.34122	3.0
476.36520	48.9
488.36243	1.3
568.42969	19.8
568.56616	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.8
53.03954	3.8
55.05516	9.7
57.07082	7.6
58.73237	1.0
59.05008	1.9
65.03955	2.2
67.05510	17.8
69.03422	3.3
69.07076	10.9
70.63832	3.0
70.64223	2.4
71.04992	1.3
71.08623	1.5
71.51212	1.3
77.03924	1.3
79.05500	25.2
80.06271	2.2
81.07063	32.4
83.04965	3.6
83.08623	5.1
83.93747	1.2
85.06552	4.2
88.07616	1.2
91.04910	2.1
91.05483	46.7
92.06263	3.6
93.07050	52.6
93.07643	2.7
94.07842	1.8
95.04974	39.2
95.08615	27.6
97.06511	1.6
102.04649	1.2
103.05463	4.6
104.06262	1.4
105.07037	89.5
106.07817	4.8
107.07873	2.2
107.08601	44.9
108.09425	2.1
109.06516	5.5
109.10159	16.7
110.07307	1.6
111.08089	1.3
115.05439	6.1
116.06194	2.0
117.07016	28.8
118.07805	1.5
119.08585	100.0
120.09408	6.5
121.06518	1.6
121.10144	30.3
122.10893	1.2
123.08076	16.1
123.11711	5.3
125.54362	1.3
128.06216	12.4
129.07027	17.9
130.07814	10.6
131.08568	57.9
132.09341	9.7
133.10143	58.9
134.10931	6.0
135.08029	5.6
135.11702	15.9
137.09605	4.8
138.10379	6.9
141.06973	6.7
142.07794	15.8
143.08571	47.7
144.09355	13.8
145.10130	86.7
146.10909	5.4
147.08073	1.5
147.11685	23.9
149.09616	4.4
149.13269	5.1
151.11201	3.0
153.07016	2.4
154.07751	3.5
155.08554	17.0
156.09352	20.3
157.10135	50.6
158.10918	9.5
159.08034	1.7
159.11702	38.1
160.12456	2.9
161.09624	7.3
161.13286	6.9
163.11218	3.9
165.07002	6.4
166.07736	3.0
167.08565	9.1
168.09370	6.7
169.10118	27.5
170.10904	10.5
171.11688	35.4
172.12428	5.4
172.95956	1.4
173.09642	1.8
173.13272	25.9
175.11185	2.2
175.14827	19.4
177.12793	6.4
178.13664	1.2
179.08566	8.6
180.09341	3.8
181.10143	15.7
182.10898	10.8
183.11688	31.4
184.12489	5.2
185.13252	26.4
186.14053	8.2
187.11218	1.3
187.14812	11.1
189.12723	3.4
191.14336	9.7
192.09323	3.5
192.15120	2.8
193.10103	6.9
193.15877	2.8
194.10895	7.8
195.11728	18.8
196.12479	8.7
197.13266	29.9
198.14063	7.6
199.14793	10.2
200.15625	1.7
201.12726	3.6
201.16380	9.3
203.14380	2.6
205.10042	1.9
205.15857	2.1
206.10921	3.5
207.11681	12.6
208.12415	3.9
209.13281	22.1
210.13918	2.5
211.14809	22.1
212.15569	1.8
213.12799	1.7
213.16354	4.9
215.14218	1.9
217.10159	1.7
217.15871	5.9
218.16653	1.6
219.11703	3.0
219.17497	2.3
220.12495	2.6
221.13295	7.9
222.14096	2.5
223.14795	12.8
224.15549	2.7
225.16376	8.9
226.17145	2.5
227.17975	1.8
231.17540	2.4
233.13231	4.2
235.14798	7.4
236.15536	2.1
237.16388	6.5
239.17992	5.2
241.19588	3.0
245.13336	1.6
246.28120	1.4
247.14842	4.2
249.16368	4.0
251.17996	4.2
253.19624	1.3
255.17433	1.4
257.19107	2.0
259.20618	2.4
261.16391	5.5
263.17993	3.2
265.19504	4.6
267.21198	2.3
272.21436	1.9
273.16525	1.7
275.18060	3.4
277.19540	4.5
283.20679	2.8
285.22049	1.9
289.19464	3.2
291.21030	2.0
296.21219	1.5
297.22095	2.6
305.22687	2.8
323.23721	6.5
337.25204	2.7
338.26047	36.8
349.25150	1.9
351.26974	1.7
375.26886	1.6
390.66440	1.4
415.29858	2.6
430.32281	12.7
468.67325	1.4
476.36398	15.3
568.42755	25.0
568.56543	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	568.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53990	0.5
54.89801	0.5
55.74023	0.5
69.03397	0.5
70.95158	1.1
81.07005	0.7
84.15711	0.5
86.09686	1.3
90.89484	0.5
118.96570	0.5
123.03079	0.6
138.09070	0.7
139.03786	0.6
152.07030	2.5
176.10654	1.0
180.80777	0.6
184.07376	3.6
190.04892	0.6
194.08086	1.6
206.09753	0.6
209.10727	1.3
210.11469	0.6
211.12277	0.7
221.10735	0.9
222.07751	1.2
222.11554	0.7
223.08656	1.2
223.12355	1.4
224.09435	1.3
225.10139	4.3
226.10898	0.7
233.10599	0.7
235.08720	3.9
235.12196	0.7
236.09412	4.2
237.10234	10.8
238.10985	2.6
239.11713	1.4
240.12593	1.4
248.09201	0.8
249.10216	11.1
250.11021	4.9
251.08122	2.1
251.11804	18.7
252.08873	1.0
252.12650	2.5
253.09731	19.9
253.13281	1.4
261.10315	1.1
262.10992	1.2
263.08398	1.0
263.11807	2.0
264.08972	0.9
265.09732	19.1
266.10474	1.6
267.11261	7.8
277.09708	4.7
278.10522	7.8
279.07730	5.1
279.11285	24.5
280.12036	5.6
281.09598	0.6
281.12857	2.0
282.10129	1.1
283.10773	1.3
289.09674	0.9
291.11157	1.0
293.09201	5.5
293.12839	6.5
294.09946	2.0
294.13318	0.6
295.10748	4.5
295.14404	3.8
296.11572	1.8
296.83966	0.6
297.12280	6.9
306.09854	1.7
307.10709	3.7
308.11533	1.1
309.08862	1.2
309.12238	6.0
311.10248	4.0
311.13940	2.5
312.11050	15.6
321.12231	1.1
323.13934	1.2
324.11008	4.2
325.11829	18.3
326.12567	2.0
327.13400	67.7
328.13803	0.9
335.10260	5.9
336.11041	2.3
337.11676	3.6
339.13397	99.0
340.14139	3.6
341.14969	1.3
352.10605	2.2
353.11255	10.2
357.14459	1.6
367.12891	74.8
368.13675	11.0
369.14316	0.9
384.13235	1.0
385.13931	16.3
399.15527	23.4
400.16150	0.8
504.17831	3.8
508.20618	3.0
536.20294	100.0
537.20624	2.6
554.21448	1.1
568.22864	15.4
568.31677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.9
53.64736	2.5
55.05517	19.6
57.07065	11.0
57.68433	2.6
59.04989	3.4
61.81884	2.3
65.03926	5.7
65.77316	3.0
67.05511	44.9
69.07069	24.8
69.35762	24.7
71.08608	5.1
79.05505	44.1
81.07065	63.2
83.04978	5.6
83.08602	9.3
85.06541	4.1
91.04981	5.4
91.05492	66.4
93.06493	4.5
93.07054	74.7
95.04964	11.6
95.08620	48.7
97.06534	5.0
97.10175	2.9
103.05451	6.9
105.04511	5.2
105.07039	89.0
107.04942	3.4
107.08607	61.3
109.06521	6.4
109.10166	58.5
115.05455	9.2
115.75218	2.7
116.06254	3.9
116.18789	3.3
117.07036	28.0
119.08592	100.0
121.06515	3.4
121.10156	57.0
123.08047	5.4
123.11700	12.8
128.06204	14.2
129.07018	21.4
130.07755	8.2
131.08585	48.3
133.10150	53.5
135.08084	5.9
135.11716	31.4
137.09631	7.4
137.13274	3.4
139.11186	4.4
141.06981	5.8
142.07790	17.4
143.08572	37.2
144.09352	8.9
145.10135	61.7
147.08067	4.3
147.11684	23.9
149.09590	6.9
149.13321	6.0
155.08580	19.7
156.09338	9.4
157.10155	37.3
158.10890	8.9
159.11705	36.6
161.13283	14.3
163.11224	4.3
163.14809	4.2
165.07037	4.3
167.08571	10.1
168.09331	7.1
169.10194	23.7
170.10902	6.3
171.11684	27.7
171.95850	2.9
172.12389	3.1
173.13309	22.5
175.11021	3.2
175.14842	28.4
179.08556	13.6
180.09398	5.8
181.10121	12.8
182.10890	7.2
183.11671	20.5
185.13304	17.0
187.14810	18.3
189.12730	3.6
191.14355	6.2
192.09401	3.8
193.10103	10.9
194.10846	6.1
195.11636	20.0
197.13254	20.8
199.14911	13.5
201.16374	11.2
205.10097	4.9
205.15907	4.4
206.10852	5.1
207.11665	12.0
208.12498	3.0
209.13306	19.0
211.14821	11.1
213.16351	5.4
215.14256	3.2
219.11668	5.5
219.17427	5.9
221.13263	12.3
223.14928	6.8
225.16376	4.7
231.11833	4.0
232.12648	3.5
233.13428	5.5
233.15369	16.0
235.14784	8.4
237.16411	6.1
239.17960	5.4
245.13232	5.7
247.14890	5.8
249.16360	4.9
251.18146	5.6
257.18900	2.8
259.14761	4.5
261.16367	3.9
265.19507	5.0
267.20990	4.7
275.17914	6.5
277.19458	5.8
283.20486	6.4
285.22269	3.5
291.20963	3.9
361.25189	3.2
427.29816	3.1
493.34805	3.4
549.41034	15.8
567.41608	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.5
54.70493	2.7
55.05505	13.3
57.07070	12.9
59.05001	6.0
60.54654	3.0
62.26823	2.7
63.00597	2.4
65.03928	5.3
67.05501	22.4
69.03441	9.1
69.07069	17.0
71.08627	7.8
71.51705	4.0
79.05504	25.4
81.07062	36.5
81.09494	2.9
91.05483	37.7
93.07055	58.0
95.04970	10.6
95.08619	45.4
95.82144	2.7
97.06564	4.0
97.10153	3.4
105.07041	69.4
107.08599	50.6
109.06519	6.2
109.10178	28.7
110.16714	3.2
115.05467	8.5
116.55448	2.8
117.07018	16.5
119.06143	3.4
119.08586	75.5
121.06556	7.9
121.10151	45.4
123.08096	14.7
123.11718	10.1
125.05980	3.3
128.06223	10.2
129.06999	11.0
130.01173	2.8
130.07790	4.7
131.08575	28.8
133.10132	37.2
135.08083	11.2
135.11691	22.1
137.09618	11.5
141.06975	5.8
142.07822	13.5
143.08569	33.4
144.09314	4.0
145.10139	51.2
147.08047	22.7
147.11710	13.4
149.09706	3.9
151.07535	13.5
153.06941	3.4
155.08559	8.3
156.09366	10.1
157.10149	25.4
158.10901	3.9
159.08076	3.9
159.11713	23.1
160.95853	2.8
161.13254	10.5
163.11180	6.6
165.06979	5.2
165.09117	46.0
167.08621	6.7
168.09398	4.2
169.10127	17.9
170.10898	6.7
171.11722	21.9
173.09703	3.9
173.13272	15.8
175.14818	16.1
179.08630	7.1
180.09439	4.1
181.10162	8.5
181.12259	8.1
182.10942	4.0
183.11708	13.4
185.13203	9.8
187.14862	4.3
188.41032	3.4
189.12767	3.4
193.10095	6.7
193.12276	3.5
195.11737	13.3
197.13289	8.5
198.13974	3.1
199.14859	6.7
201.16374	3.5
203.14337	14.8
207.11728	6.3
207.13737	5.4
209.13300	10.3
211.14825	10.2
213.16309	4.0
221.13428	4.8
221.15375	100.0
223.14796	6.6
225.16284	4.7
237.16458	9.0
265.19510	4.5
267.21008	5.4
284.29507	24.4
286.19144	3.9
299.20123	4.7
352.24057	3.5
353.24615	4.9
359.27161	8.0
367.08191	2.9
475.35599	12.5
487.35352	6.8
491.09467	3.9
567.33606	6.2
567.41956	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.5
55.01872	3.0
55.05517	27.9
57.03442	5.7
59.05003	2.3
62.39941	1.4
65.03941	5.0
67.05509	100.0
68.10939	1.6
69.03431	16.7
69.07071	14.4
69.28706	13.3
71.04996	5.5
73.82498	1.4
79.05498	31.7
79.74016	1.4
81.03426	59.7
81.07060	55.6
81.36697	1.4
81.77978	1.5
83.04992	10.8
83.08638	13.8
85.02904	4.8
85.06573	3.0
91.05492	26.9
91.06027	2.4
91.17330	1.5
93.07050	32.6
94.30686	1.5
95.04985	7.0
95.08618	17.9
97.02893	10.9
97.06534	7.1
97.10162	8.2
99.04501	3.5
99.08058	2.7
105.07040	15.3
107.04981	3.1
107.08601	20.7
109.02885	15.0
109.06547	2.4
109.10161	44.9
109.12758	1.6
111.04446	12.1
111.08092	5.3
115.05497	1.3
117.07037	8.3
119.08604	12.0
121.06546	1.9
121.10131	11.2
123.08044	2.5
123.11742	2.4
125.09647	6.4
127.03937	10.7
129.07019	4.3
131.08577	8.7
133.10129	8.0
135.08118	3.4
135.11729	6.3
137.09625	3.0
139.11188	2.7
143.08597	3.6
145.06555	2.2
145.10164	4.9
147.08086	1.9
147.11687	4.6
149.13274	13.6
153.07080	1.9
155.08607	3.4
155.10712	4.4
157.10190	1.7
159.11699	8.0
167.08624	1.8
169.10207	1.8
171.11757	3.1
173.11801	11.8
173.13126	2.2
177.12813	3.4
181.10129	2.6
182.11031	1.6
183.06497	1.5
183.11691	3.3
189.11259	3.9
195.12061	2.6
195.13879	8.9
218.79529	1.4
227.12823	4.9
229.14423	6.5
261.14798	2.0
269.17422	1.7
271.00867	1.5
281.14032	2.5
285.15121	2.1
299.14987	10.5
303.15817	2.4
321.17001	2.7
339.18176	4.2
355.17645	5.4
395.20981	2.0
423.27493	11.4
475.35736	2.3
493.28186	1.9
549.30566	5.0
567.31769	92.2
567.40540	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	567.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
56.88552	0.5
57.32508	0.5
58.46529	0.6
67.05495	2.4
69.03435	0.7
69.07063	0.8
69.68647	2.0
69.69069	1.3
74.53455	0.5
79.05489	1.0
80.03497	0.6
81.03413	1.8
81.07060	2.3
85.02913	0.7
91.05498	0.9
93.07014	1.0
95.08601	1.0
97.02908	0.6
105.07063	1.0
107.08633	1.0
109.10159	1.4
111.04496	0.7
116.03977	0.5
129.50621	0.7
158.27173	0.6
159.11766	0.6
183.35847	0.6
184.03362	0.7
184.07391	0.6
185.04259	1.5
218.81931	0.5
275.07440	0.6
300.67355	0.7
303.78659	0.6
309.07053	0.6
331.10098	1.9
373.14658	0.6
405.22617	1.6
469.20511	0.6
510.84253	0.8
538.63654	0.7
567.27747	100.0
568.27991	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.3
55.43505	0.3
56.93886	0.2
62.86688	0.3
67.05508	0.7
68.89677	0.3
69.07059	0.5
69.40801	2.1
79.05463	0.4
81.03421	0.5
81.07055	0.6
83.01073	0.4
83.08620	0.6
91.05476	0.3
91.42254	0.3
95.04959	0.3
95.08609	0.5
109.10127	0.3
112.03308	0.3
152.22743	0.3
185.04178	0.7
201.03702	0.5
203.05278	0.8
215.25375	0.3
259.07855	1.7
297.84460	0.3
331.10098	1.3
344.13821	0.3
373.14481	0.3
387.16565	0.6
405.22455	1.2
448.05069	0.3
567.27747	100.0
568.27899	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2781
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
53.03944	0.8
56.39122	0.5
56.39415	0.6
59.27308	0.5
62.34472	0.6
64.09126	0.6
67.05513	4.8
69.03426	1.0
70.27322	1.5
70.27674	1.2
79.05505	1.3
81.03426	2.2
81.07056	2.6
83.08614	0.7
85.02914	1.3
90.55796	0.6
91.05470	1.0
93.07080	1.5
95.01115	0.7
95.08617	1.6
96.05164	0.5
96.33599	0.5
97.10161	0.6
98.20789	0.7
109.02963	0.5
109.10161	1.3
121.10213	0.7
133.10208	0.6
203.05345	1.8
234.96272	0.6
259.07919	1.5
267.76968	0.7
301.44644	0.6
331.09888	3.5
364.49969	0.7
373.14728	1.2
381.05453	0.6
387.21362	1.3
405.22540	0.8
422.66223	0.6
455.18726	1.7
469.20490	5.3
498.20728	1.1
549.18109	0.6
549.26752	25.9
567.27692	100.0
568.27972	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.5
67.05498	1.8
79.05501	0.7
81.03419	0.6
81.07056	1.4
83.01096	0.7
93.07043	1.1
95.04987	0.5
95.08604	0.8
105.07064	0.8
107.08576	0.7
109.10171	1.0
121.06542	0.8
121.10164	0.7
135.09360	0.5
185.04300	1.2
201.03799	0.8
203.05284	2.1
217.54439	0.5
259.07962	2.3
288.42429	0.5
330.49646	0.5
331.10098	1.6
336.66745	0.5
367.87973	0.5
387.16129	0.8
405.22784	0.8
471.82715	0.6
567.27747	100.0
568.28168	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	566.412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.6
53.03926	6.4
55.05516	10.9
57.07080	10.2
59.05009	3.5
65.03944	3.9
67.05502	20.6
69.03419	5.9
69.07063	8.4
69.85706	7.0
69.86147	3.9
71.02595	1.9
71.08615	3.5
79.05498	24.3
81.07050	30.1
83.04971	7.1
83.08604	7.5
85.06541	5.0
91.05482	66.0
93.06487	3.1
93.07050	47.9
95.04929	4.2
95.08601	21.7
97.06547	2.0
98.20887	2.7
103.05463	5.4
104.27101	1.9
105.04516	2.8
105.07033	95.3
106.07824	3.8
107.04956	4.1
107.07884	2.3
107.08598	40.5
108.87579	1.9
109.06528	5.2
109.10160	26.9
111.08038	1.9
115.05457	10.9
116.06267	2.7
117.06236	2.4
117.07018	34.8
118.07801	4.3
119.08585	100.0
120.09361	5.7
121.06528	12.5
121.10141	31.0
122.07279	4.2
122.14597	1.8
123.08051	8.9
123.11723	4.8
125.09647	5.8
128.06232	15.4
129.07001	29.5
130.07762	13.5
131.08571	51.4
132.09328	7.4
133.06494	3.3
133.10133	72.9
135.08073	15.4
135.11684	15.1
137.09625	30.2
138.10384	5.1
141.07018	13.8
142.07774	27.0
143.08575	41.5
144.09348	12.6
145.06453	4.1
145.10123	77.7
146.07216	2.8
146.10912	3.7
146.71611	1.8
147.08047	9.7
147.11697	18.7
149.09613	6.6
149.13237	3.8
151.11205	9.1
153.06972	9.1
154.07756	3.8
155.08562	25.4
156.09360	22.8
157.10135	55.1
158.10925	13.0
159.08058	98.6
159.11678	42.5
161.09651	11.1
161.13257	5.9
163.11147	4.5
163.14796	2.3
165.06969	10.9
166.07765	7.1
167.08524	14.9
168.09317	9.5
169.10127	33.5
170.10913	11.0
171.07872	2.1
171.11705	32.1
172.12483	5.5
173.09743	4.3
173.13242	35.2
175.11115	3.3
175.14835	15.1
177.12720	4.6
178.07764	3.8
179.08539	13.0
180.09319	8.8
181.10130	27.3
182.10855	13.7
183.11682	31.9
184.12459	5.5
185.09676	3.4
185.13266	19.0
186.13979	3.2
187.11082	2.3
187.14778	12.9
189.12758	9.6
191.14284	6.6
192.09286	3.7
193.10144	16.2
194.10927	11.4
195.11725	30.8
196.12477	11.5
197.09587	7.9
197.13272	31.2
198.13937	4.9
199.11185	4.4
199.14864	17.0
201.12695	6.9
201.16403	11.4
203.14415	4.3
205.10135	3.7
205.15889	2.6
206.10873	4.0
207.11728	15.4
208.12405	8.4
209.13264	37.2
209.61530	2.2
210.13979	8.6
211.11197	3.3
211.14856	14.1
212.11964	3.1
213.16350	3.4
215.14330	4.4
217.15897	9.5
219.11711	5.7
220.12411	4.8
221.13287	20.1
222.13957	4.4
223.14815	17.0
224.15691	4.3
225.12761	5.7
225.16386	9.8
226.17389	2.2
227.14226	2.5
231.11626	3.1
233.13269	6.6
234.14047	2.8
235.14775	12.3
236.15570	4.0
237.16371	11.9
239.17976	7.9
243.17622	2.1
247.14766	6.9
248.15601	2.3
249.16391	6.3
251.17940	5.2
253.19679	2.5
255.17377	3.3
257.19083	2.9
261.16473	4.9
262.17175	2.9
263.17923	7.5
265.16373	2.0
265.19467	9.3
273.16275	2.0
275.17917	6.7
277.19580	6.3
279.21054	2.3
283.20547	7.2
287.17868	3.4
289.19458	2.7
295.20441	4.0
296.21051	2.4
303.21228	3.9
319.24213	3.7
321.22177	2.4
335.23581	3.5
336.24487	4.5
337.25204	3.4
349.25192	5.3
361.25122	3.0
362.25952	6.2
400.27444	2.0
413.28198	3.5
415.29922	3.6
429.31412	2.3
441.31589	6.2
456.33862	36.5
468.37726	2.7
474.34912	12.0
537.20740	1.8
548.40314	5.0
566.41064	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	565.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.1
51.18045	0.8
53.03944	4.4
55.05516	8.8
57.07083	7.2
59.04996	1.2
59.13039	1.1
65.03941	3.9
67.05503	16.3
69.03432	3.2
69.07072	11.4
69.50627	1.7
69.51031	5.6
70.84361	0.8
79.05502	18.3
81.03432	1.1
81.07065	23.4
83.04987	3.5
83.08612	3.5
85.06547	2.0
86.54686	0.9
91.05487	28.2
91.06021	2.1
93.07050	33.1
95.04974	7.8
95.08612	25.4
97.06539	4.2
103.05471	3.5
105.07037	55.4
107.08604	27.1
109.06509	5.4
109.10166	14.2
111.08034	1.1
115.05434	4.9
116.06247	1.5
117.07033	12.0
119.08591	55.6
121.06491	3.2
121.10149	39.5
123.04475	1.1
123.08089	9.4
123.11742	6.2
125.06025	3.1
125.09632	1.7
128.06206	8.7
129.07028	11.0
130.07748	5.5
131.08572	20.0
133.06531	1.5
133.10139	29.0
135.08041	5.8
135.11711	11.8
137.09633	7.2
141.07034	6.7
142.07800	15.6
143.08582	25.9
144.09337	4.7
145.10135	34.1
147.08064	10.6
147.11670	9.6
149.09645	4.4
149.13319	1.5
151.07545	6.3
153.07008	4.3
154.07802	1.8
155.08568	12.7
156.09364	14.6
157.10146	35.7
158.10970	4.1
159.08107	2.0
159.11711	20.1
161.09641	3.5
161.13278	5.1
163.11166	5.2
165.07011	3.7
165.09131	20.1
166.07764	2.3
167.08586	7.6
167.10654	6.4
168.09343	4.4
169.10141	18.3
170.10938	6.7
171.11696	23.0
173.09683	2.7
173.13287	18.4
173.14708	1.6
175.11221	2.4
175.14816	5.2
179.08536	9.3
180.09355	4.2
181.10147	11.3
181.12273	4.3
182.10953	7.2
183.11711	16.1
184.12531	3.7
185.13278	16.7
187.11168	1.6
187.14867	4.1
189.12741	3.2
191.14354	1.7
192.09363	4.5
193.10181	12.4
194.10947	7.7
195.11687	13.7
196.12471	6.7
197.13295	15.6
199.14813	8.3
199.16447	1.4
201.16418	2.5
203.08626	2.0
203.14368	9.3
204.09348	1.1
205.10162	4.6
206.10942	6.1
207.11751	16.8
207.13824	4.3
208.12505	5.6
209.13261	17.0
209.15108	1.2
210.14037	2.2
211.14832	8.2
213.12691	1.7
213.16399	5.4
215.14366	1.2
216.09311	1.4
217.10112	4.0
217.15828	1.9
218.10973	2.8
219.11769	6.5
220.12500	5.9
221.13287	12.2
221.15431	37.9
222.14067	2.9
223.11380	1.0
223.14857	12.0
225.16432	4.5
227.18002	1.2
229.10257	1.8
229.15919	1.5
230.10960	2.2
231.11707	5.7
231.17564	1.3
232.12549	4.2
233.13292	7.0
233.15446	2.8
234.14070	3.5
235.14903	9.2
236.15579	1.4
237.12640	1.2
237.16461	5.5
239.17957	4.7
243.11732	3.2
244.12579	2.6
245.13202	4.9
246.13995	4.7
247.14882	6.4
247.17062	2.3
248.15709	2.8
249.16441	5.4
251.17908	5.4
253.19646	2.7
257.13281	2.7
258.14114	3.3
259.14780	5.0
260.15710	2.8
261.16379	6.5
263.17941	4.8
265.19522	6.2
270.13974	1.8
271.14844	2.8
272.15637	1.7
273.16434	3.7
274.17300	1.8
275.17892	4.7
276.19089	1.2
277.19553	5.1
279.21127	2.7
283.14688	2.0
283.20679	2.8
284.15546	1.1
285.16486	3.1
287.17728	2.6
287.20444	1.6
289.19568	2.9
291.21149	2.6
295.20532	1.4
297.16360	1.6
299.17767	2.5
301.19550	3.4
303.21173	2.6
313.19495	1.4
315.21094	1.8
317.22797	1.5
325.19284	1.2
327.21002	1.3
329.22729	2.7
331.24231	6.9
331.69147	1.1
341.22467	1.4
343.24323	1.4
347.23538	1.1
355.24628	1.4
357.25729	6.0
365.24561	1.8
385.29120	3.6
407.28552	1.4
409.29138	1.6
417.27481	1.2
419.29718	1.1
467.32935	1.2
473.34174	12.5
485.33990	2.7
509.34042	2.3
547.39380	9.2
565.40472	100.0
566.40875	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	565.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.3
55.01879	2.4
55.05517	13.8
57.03433	2.1
57.07070	7.7
59.04985	1.9
65.03941	2.5
67.05504	25.0
69.03439	4.1
69.07072	18.2
69.85523	6.5
69.85938	3.7
79.05492	17.2
81.03409	2.1
81.07061	31.6
83.04994	5.2
83.08614	8.6
85.06540	2.5
91.05489	37.2
93.07048	38.1
95.04971	8.2
95.08612	29.1
97.06526	2.5
98.20716	1.9
103.05488	4.3
105.06322	3.2
105.07034	66.2
107.08599	34.0
109.06512	5.0
109.10158	24.1
115.05459	5.3
117.07040	15.5
119.08593	66.6
121.06467	3.7
121.10152	43.4
123.08060	9.6
123.11704	6.9
128.06242	10.9
129.06996	15.1
130.07813	5.4
131.08577	24.9
133.06465	2.6
133.10146	36.9
135.08081	6.7
135.11679	13.9
137.09641	5.2
141.06984	6.5
142.07816	16.9
143.08575	31.3
144.09337	6.6
145.10126	42.5
147.08070	8.5
147.11694	15.6
149.09671	5.2
149.13251	2.5
151.07570	6.3
153.06967	3.3
154.07686	2.3
155.08519	14.6
156.09351	16.6
157.10136	37.8
157.11328	3.0
158.10936	6.9
159.08064	4.8
159.11693	19.8
161.09637	4.7
161.13248	5.1
163.11192	5.4
165.07021	5.5
165.09103	15.5
167.08585	11.6
167.10724	7.2
168.09384	6.3
169.10143	25.3
170.10951	6.7
171.11693	28.1
173.13287	20.1
175.14838	9.0
178.07831	3.3
179.08617	11.9
180.09294	4.7
181.10098	15.8
181.12299	3.9
182.10904	6.0
183.11742	17.0
184.12537	2.5
185.13213	16.8
187.11226	3.2
187.14864	5.0
189.12828	3.1
191.14262	3.0
192.09384	5.2
193.10135	12.1
194.10912	8.1
195.11725	19.7
196.12514	4.4
197.13293	12.9
199.14832	10.1
201.16370	3.6
203.14359	6.6
205.10114	4.8
206.10938	6.0
207.11720	16.4
207.13789	5.4
208.12535	8.1
209.13342	21.4
209.15219	4.1
210.14043	4.6
211.14870	11.2
213.12778	1.8
213.16402	4.3
217.10129	4.3
217.16080	2.7
218.10971	3.1
219.11809	6.0
220.12531	6.2
221.13307	11.7
221.15422	24.8
222.14030	3.3
223.14832	13.2
225.16388	5.0
227.14299	2.8
229.09975	2.7
231.11783	5.5
232.12556	4.6
233.13280	10.3
233.15530	5.6
234.14040	2.3
235.14890	10.0
237.16417	7.5
239.18008	4.1
241.19682	2.0
243.11832	2.9
244.12552	3.3
245.13292	6.5
246.14075	7.1
247.14879	8.6
247.17128	2.3
248.15575	2.9
249.16472	5.2
251.17914	3.9
253.19608	3.2
257.13309	4.2
258.14108	2.6
259.14902	5.8
260.15628	4.7
261.16464	7.8
262.17139	3.1
263.17969	7.7
265.19525	7.3
271.14890	2.7
273.16360	6.1
275.15024	2.1
275.17957	6.3
277.19556	4.9
279.21185	4.6
281.13327	2.4
282.27997	2.8
287.17819	2.1
289.19525	4.1
291.21054	2.2
299.17697	4.6
306.51331	2.4
309.16504	2.3
310.31268	2.9
311.17804	2.0
315.21100	2.1
329.22644	3.4
331.24362	6.3
343.24271	3.1
357.25769	4.0
359.23547	2.2
385.29013	4.2
407.29034	2.0
425.28415	2.5
473.34232	18.1
509.34476	4.8
529.38336	2.3
532.78687	2.4
547.39490	11.7
565.40448	100.0
566.41364	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.01859	2.2
55.05517	15.3
57.07071	6.4
65.03941	1.9
67.05511	22.4
69.03432	4.6
69.07071	15.0
69.86173	7.9
71.04993	2.8
79.05495	24.3
81.07057	24.7
83.04990	6.3
83.08611	8.3
85.06543	4.7
85.98769	1.8
91.05487	31.5
93.06481	2.9
93.07050	39.6
95.04983	6.0
95.08613	28.8
97.06564	4.0
98.21499	3.1
102.97327	1.6
103.05483	5.8
105.07038	51.1
107.04989	2.2
107.08598	33.5
109.06522	7.3
109.10158	17.9
115.05476	3.4
117.07011	12.2
119.08580	56.0
121.06493	3.3
121.10152	41.2
123.08071	9.1
123.11731	10.0
125.09652	3.1
128.06229	6.1
129.07016	11.2
130.07823	3.2
130.22337	1.6
131.08578	19.8
131.51788	1.6
133.06500	2.7
133.10126	40.0
135.08124	3.5
135.11694	13.6
137.09641	6.2
137.13300	2.5
141.07004	7.1
142.07799	14.6
143.08571	23.6
144.09370	5.7
145.10130	38.0
145.11269	2.1
147.08080	5.8
147.11678	15.2
149.09650	7.9
149.13231	3.3
151.07573	5.0
151.11147	1.9
153.07036	4.0
153.09096	1.8
154.07877	2.3
155.08533	12.8
156.09378	12.1
157.10143	34.2
158.10960	4.8
159.08086	3.8
159.11719	17.8
161.09691	2.7
161.13271	6.2
163.11217	4.2
165.07031	5.2
165.09109	10.7
166.07802	2.9
167.08612	6.8
167.10669	19.5
167.63306	1.8
168.09369	2.2
169.10135	17.7
170.10927	5.8
171.11678	24.5
173.09544	2.4
173.13268	18.5
175.11150	2.6
175.14888	4.7
178.07816	2.0
179.08562	8.5
180.09372	3.0
181.10146	11.8
181.12257	3.5
182.10956	5.4
183.11687	14.6
185.13268	15.0
187.14821	8.5
189.12772	4.2
191.14359	4.4
192.09396	6.0
193.10139	12.6
193.11774	1.7
194.10985	9.0
194.86568	1.9
195.11705	16.0
196.12491	5.2
197.13194	14.3
199.14804	15.9
201.12761	2.2
201.16389	3.8
203.14365	4.4
205.10138	3.6
206.10992	5.1
207.11734	15.5
207.13600	3.0
208.12572	6.4
209.13277	13.8
210.13995	2.0
211.14830	8.3
211.45670	1.7
213.16397	5.0
215.14308	4.2
216.09245	1.9
217.10138	3.6
218.10980	5.2
219.11775	4.7
220.12529	6.5
221.13277	12.7
221.15440	18.6
222.14000	3.1
223.14786	10.1
225.16420	6.8
227.18004	2.1
231.11752	5.6
233.13280	7.3
233.15440	7.9
234.14008	2.7
235.14870	7.6
237.16452	9.3
239.17957	4.3
243.11752	3.0
244.12503	3.6
245.13304	6.3
246.14081	5.1
247.14796	6.5
248.15718	2.1
249.16508	5.4
251.18077	6.7
253.19490	3.1
255.17522	1.8
258.14157	2.1
259.14865	6.7
261.16476	6.2
263.18005	8.0
265.19589	6.8
267.21085	2.1
273.16263	3.2
275.17987	5.3
277.19571	5.7
285.16394	2.4
287.17694	2.1
289.19568	3.4
301.19522	2.6
309.16849	2.3
311.18008	2.5
313.27594	2.3
317.22711	2.6
325.19742	2.7
331.24216	3.5
343.24329	3.4
355.23776	2.4
357.25931	5.4
383.27472	2.9
385.29007	3.1
459.32568	2.0
473.34033	5.8
485.33804	1.9
489.34671	2.2
491.32504	2.3
497.33044	1.9
503.71899	1.7
509.34445	4.9
547.39557	11.9
565.40442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.8
55.05511	6.7
57.07072	7.6
59.05004	2.7
64.28839	1.8
67.05515	11.5
69.03428	6.1
69.07083	11.7
69.07400	2.2
69.28089	15.0
69.48051	1.5
79.05492	15.7
81.07057	21.4
83.04990	1.6
83.08635	6.7
85.06557	3.5
91.05491	29.7
91.16723	1.8
93.07053	35.2
94.98746	1.6
95.04967	4.4
95.08620	22.3
97.06544	2.3
103.05459	4.5
104.80099	1.6
105.07038	50.2
107.08596	29.9
109.06531	4.2
109.10165	12.5
115.05459	4.2
116.06248	2.1
117.07040	9.3
119.08595	49.1
121.10156	33.8
121.11028	2.1
123.08106	10.3
123.11739	4.0
124.86601	1.5
128.06223	7.4
129.07034	10.3
130.07820	4.9
131.08582	16.6
133.06645	1.7
133.10139	31.8
133.11105	2.4
135.08061	5.8
135.11678	12.7
137.09650	5.4
141.07007	4.0
142.07767	19.2
143.08589	24.5
144.09364	3.9
145.06500	2.4
145.10138	38.1
147.08087	10.5
147.11713	11.4
149.09656	3.8
151.07553	5.9
153.07022	3.7
154.07811	3.8
155.08594	8.2
156.09341	12.6
157.10144	37.5
158.10994	3.9
159.08086	3.3
159.11708	12.8
161.09706	2.5
161.13274	4.6
163.11214	3.8
165.07027	5.9
165.09117	19.8
167.08623	7.3
167.10716	7.2
168.09369	4.3
169.10161	19.8
170.10927	7.4
171.11693	21.1
173.09648	3.4
173.13304	14.4
174.00615	1.6
175.11119	2.9
175.14861	6.1
175.33743	1.8
177.09019	2.2
178.07890	2.0
179.08539	9.5
180.09341	4.6
181.10146	8.3
181.12260	3.9
182.10962	6.7
183.11707	13.8
184.12473	2.7
185.13281	13.2
187.14873	3.3
189.12767	3.0
192.09340	4.1
193.10228	11.5
193.11864	2.2
194.10968	6.1
195.11752	17.5
196.12485	2.0
197.13251	16.6
199.14778	9.9
201.16434	3.2
203.14343	10.2
205.10138	2.1
206.10970	6.3
207.11771	12.6
207.13657	3.2
208.12538	4.9
209.13268	18.5
210.14101	3.0
211.14851	8.8
213.16463	4.5
217.10287	2.9
219.11768	7.0
220.12497	5.6
221.13324	12.0
221.15446	33.2
222.10669	2.1
222.14136	4.3
223.14850	11.8
225.12730	2.6
225.16444	5.0
227.17947	1.8
229.10153	2.3
231.11777	3.9
232.12532	4.2
233.13310	8.6
233.15369	2.6
234.13988	3.9
235.14883	7.5
237.16551	3.8
239.18056	3.4
243.11784	2.6
244.12460	2.9
245.13382	4.2
246.14137	3.4
247.14862	7.9
247.17081	2.8
248.15614	2.2
249.16473	5.5
251.17998	6.7
253.19618	5.5
257.13272	3.8
258.14099	3.8
259.14914	7.3
260.15744	1.8
261.16391	7.9
263.18079	7.5
265.19617	8.3
269.13202	2.1
271.14755	2.8
273.16321	4.2
275.18076	4.8
277.19669	4.5
279.21109	1.9
285.16360	2.5
289.19662	4.5
297.16373	2.4
301.19492	4.2
313.19263	2.1
315.21069	2.2
329.22675	2.3
331.24341	3.6
331.41833	2.2
335.23752	2.3
357.25916	6.3
365.24631	2.7
385.28903	3.0
425.28635	2.6
473.34198	7.9
485.34225	4.0
547.39514	10.2
548.39838	2.1
565.40460	100.0
566.40802	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	565.4043
Annotation	28380-31-6
Peak:m/z	Relative Intensity
50.01577	1.2
52.52325	1.1
53.03936	2.8
55.05520	7.5
57.07064	4.0
59.05008	2.5
65.03952	3.1
67.05507	17.4
69.03431	3.0
69.07072	11.4
71.16666	2.3
71.16994	1.6
79.05490	14.9
80.77026	1.2
81.07062	21.9
83.04980	3.6
83.08627	5.4
85.06555	2.4
89.06027	1.3
91.05486	28.3
93.07053	31.5
95.04961	7.3
95.08605	23.8
97.06533	3.7
97.10181	1.4
103.05470	4.1
105.04555	2.3
105.07037	50.9
107.08606	28.0
109.06521	5.7
109.10161	18.1
111.08131	1.8
113.09621	1.4
115.05453	2.8
116.06243	2.2
117.07025	9.9
119.08588	55.0
121.06509	2.2
121.10153	35.0
121.11044	1.8
123.08097	8.1
123.11749	7.3
123.12468	1.2
125.05998	2.1
125.09682	2.2
128.06227	9.9
129.07010	10.7
130.07784	5.3
131.08572	18.5
133.06491	1.7
133.10135	28.7
135.08081	4.4
135.11690	11.7
137.09641	5.8
139.11139	1.7
141.07011	5.4
142.07793	17.1
143.08563	25.0
144.09335	5.1
145.10127	30.6
147.08096	6.8
147.11681	10.8
149.09615	6.8
149.13289	1.7
151.07541	3.3
153.07001	2.5
154.07880	1.7
155.06149	1.4
155.08574	11.2
155.10635	1.6
156.09349	13.0
157.10141	33.7
158.10927	4.3
159.08096	3.2
159.11687	19.0
161.09662	2.0
161.13264	6.1
163.11234	3.6
165.07074	4.1
165.09116	9.0
166.07854	1.9
167.08559	6.8
167.10689	10.1
168.09354	2.7
169.10123	19.4
170.10905	6.1
170.73001	1.4
171.11691	19.4
172.12494	1.5
173.09689	2.4
173.13266	17.3
175.11188	1.8
175.14877	5.3
178.07782	1.5
179.08600	11.1
180.09383	4.4
181.10156	15.3
181.12204	3.8
182.10892	7.1
183.11703	16.8
184.12480	3.4
185.13260	15.8
187.14862	6.3
189.12762	3.1
191.14310	2.8
192.09386	3.7
193.10181	12.9
194.10960	7.6
195.11714	14.9
196.12534	4.1
197.13271	15.1
198.14091	1.5
199.11151	1.5
199.14886	10.3
201.16327	6.7
203.14375	4.1
205.10201	1.7
206.10884	8.3
207.11726	14.5
207.13615	2.3
208.12582	4.8
209.13280	20.2
210.13957	1.9
211.14850	10.2
212.15462	1.6
213.16418	5.8
215.14230	2.8
217.10246	2.4
217.16008	2.4
218.10916	2.1
219.11800	5.9
220.12444	6.0
221.13300	11.6
221.15448	19.2
222.14111	3.1
223.14819	10.6
225.12868	1.7
225.16246	6.3
229.10017	1.8
231.11772	4.8
231.17612	1.7
232.12497	3.6
233.13301	8.7
233.15431	3.6
234.14050	2.6
235.14868	7.5
236.15681	2.4
237.16353	6.2
239.18025	5.8
243.11766	3.7
244.12608	2.3
245.13229	6.9
246.14218	3.4
247.14850	7.6
247.17122	1.8
248.15688	2.1
249.16446	5.7
250.17285	1.6
251.17935	7.0
253.19612	2.6
255.17421	1.9
257.13254	2.6
257.19019	1.9
258.14008	2.9
259.14761	6.8
260.15710	2.3
261.16409	7.4
263.17905	6.0
265.19531	6.2
271.14850	3.3
271.20566	1.8
272.15692	2.6
273.16394	4.6
274.17123	2.0
275.17902	6.1
277.19519	5.1
281.19205	1.5
283.20529	3.0
287.17712	2.4
287.20453	1.6
289.19595	4.3
295.20624	2.4
299.17813	1.9
301.19516	2.7
303.21085	1.9
307.20587	2.8
309.16434	1.4
309.22195	1.5
311.17892	2.3
312.21164	1.7
315.21170	2.3
317.22549	2.5
321.22214	1.4
327.21106	1.5
329.22650	3.4
331.24396	2.9
335.23825	1.9
343.24258	3.3
347.23868	3.2
353.22449	1.9
355.24332	1.9
357.25772	3.8
361.25281	1.6
365.24942	2.8
369.26199	1.4
373.25516	2.1
383.27426	1.7
385.28745	1.7
395.27231	1.8
425.28632	1.9
453.31317	1.3
473.34119	7.1
485.34225	1.7
509.34052	2.5
547.39471	13.2
565.40442	100.0
566.41248	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90920	7.6
55.05517	44.4
57.03436	12.3
57.07082	43.6
67.05508	55.8
69.07086	63.0
71.08290	7.0
71.08630	37.4
71.51910	10.9
79.05485	22.2
81.07056	76.4
83.08624	44.9
85.10182	16.6
91.05464	17.2
93.07053	29.4
95.08607	75.4
97.06551	18.7
97.10161	40.4
105.07051	13.7
107.08585	28.0
108.58649	6.4
109.10175	36.4
111.08102	8.4
111.11739	7.6
118.28125	7.2
119.08616	11.5
121.10144	40.9
123.11729	16.5
135.11685	35.3
149.13300	9.6
157.10062	7.9
157.38640	6.9
157.40123	7.9
171.11749	9.7
177.16330	6.9
216.00832	7.4
219.59248	8.1
223.11192	7.2
282.27884	19.6
283.28250	27.2
296.83325	7.3
363.32574	9.9
399.34702	36.9
437.36276	71.1
455.37274	56.6
511.40002	14.6
529.40997	100.0
564.40656	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	565.1553
Annotation	Kaempferol 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
55.01874	2.7
57.03443	20.4
61.02924	6.4
69.03436	22.8
70.06596	3.1
70.90420	4.7
71.01331	4.2
71.05002	12.8
73.02923	46.5
83.04977	8.5
85.02909	27.1
97.02898	14.5
111.04434	6.7
112.39233	2.3
115.03925	10.2
121.02886	22.5
121.66102	2.0
121.67123	1.9
123.04352	1.9
129.05492	6.5
145.06400	2.0
146.28380	2.9
147.04393	3.0
147.06543	4.9
153.01843	4.5
165.01825	4.0
168.62773	2.1
177.01773	2.0
224.89697	2.1
225.07671	4.0
255.06752	2.5
276.09274	2.0
283.05890	6.3
286.04742	5.7
287.05511	82.6
289.82599	2.2
297.07547	2.7
299.05499	43.0
300.06277	8.8
302.04221	5.1
311.05603	12.0
313.06937	3.3
317.06586	21.2
325.07010	14.7
329.06558	100.0
335.09134	2.5
337.07077	2.9
343.08105	2.6
351.08798	10.2
353.06567	29.4
355.08130	2.6
379.08170	24.9
397.09232	65.6
415.10098	18.4
433.11304	25.1
565.15051	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	565.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82065	0.5
55.05529	0.8
57.07075	1.0
58.44934	0.5
65.40269	0.5
67.05479	0.9
69.85725	2.8
71.69238	0.5
78.68127	0.5
81.07035	0.7
96.99091	0.5
105.06985	0.6
113.05772	0.6
128.52785	0.5
149.02332	6.1
171.00500	0.5
189.01733	0.6
199.07358	1.3
243.06331	0.8
245.07927	2.0
261.07434	2.8
263.18121	0.5
275.11087	3.1
299.12521	8.0
317.13712	19.2
345.13199	1.3
423.12659	1.5
461.17746	1.0
479.18939	14.0
521.19995	50.4
522.20459	1.4
565.18964	100.0
566.19421	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	564.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07433	10.1
55.05502	35.7
57.07067	40.6
66.10851	10.5
67.05506	65.5
69.07065	41.3
69.35757	62.9
69.36184	29.7
71.04966	11.7
71.08621	13.1
73.06625	10.6
79.05495	39.9
81.07061	62.1
82.07365	13.4
82.62495	9.8
83.04987	9.8
83.08620	29.4
85.10213	12.3
88.28900	8.6
91.05479	17.0
93.07043	39.7
95.08589	57.7
100.78465	10.8
105.07031	24.8
105.32160	10.6
107.08579	24.4
109.10150	21.3
119.08640	12.0
121.10129	31.6
133.10153	17.1
135.11650	25.2
149.02890	10.5
149.13292	15.0
153.96825	9.9
302.77017	12.1
399.34784	33.2
437.36298	43.6
455.37375	27.0
479.93161	11.4
511.40018	25.0
529.41205	100.0
564.41943	16.6
565.40558	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	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.9
55.01868	7.2
55.05514	29.7
57.03442	23.0
57.07069	5.2
61.02929	17.6
65.03933	3.9
67.05508	72.9
69.03434	15.3
69.07068	29.1
70.16579	14.3
71.04985	4.7
73.02919	5.6
75.04520	3.3
79.05497	87.2
81.03429	15.6
81.07062	87.1
83.04992	14.5
83.08617	13.9
85.02917	20.5
85.06541	5.8
91.03956	7.2
91.05487	86.0
93.07050	100.0
95.04968	11.0
95.08616	41.6
97.02890	22.6
97.06528	14.6
98.21394	4.0
99.08096	8.8
103.03938	6.6
103.05473	3.4
105.07047	76.3
107.04996	6.4
107.08601	49.4
109.06528	5.8
109.10169	14.6
111.08081	9.4
113.09668	3.6
115.05488	4.1
117.07032	23.7
119.08591	55.1
120.08278	3.5
121.06490	7.2
121.10145	40.5
123.08095	6.2
123.11709	4.6
127.03948	11.1
129.05522	4.9
129.07022	12.6
131.08565	36.7
133.09235	5.8
133.10143	53.4
135.08044	8.1
135.11714	24.8
137.09615	6.3
139.07614	3.3
143.08586	13.4
145.05006	4.3
145.10138	22.4
147.08125	4.5
147.11681	46.9
149.09612	14.6
149.13266	32.8
157.10152	14.0
159.11700	34.6
161.09665	4.0
161.13295	29.1
163.11223	9.2
171.11717	13.6
173.13319	15.6
175.14810	8.2
177.12816	8.9
181.08473	3.6
185.13297	8.8
187.14839	4.5
189.12854	3.6
195.13809	11.8
199.14848	5.1
209.44458	3.1
241.19513	19.2
247.20692	3.6
256.95456	3.0
257.19162	5.4
259.20605	56.8
269.17471	60.1
275.20169	16.6
333.24243	3.7
351.25305	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	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.6
55.01874	6.2
55.05516	26.6
57.03442	23.9
57.07064	4.6
58.41203	3.3
61.02933	17.4
65.03929	7.0
65.66798	3.5
66.40862	3.1
67.05505	74.2
69.03417	14.1
69.07066	36.8
70.95898	8.2
71.04980	5.5
71.29131	3.0
73.02922	5.6
79.05070	5.2
79.05499	74.2
81.03400	10.1
81.07059	76.8
83.04990	18.5
83.08620	13.0
85.02911	18.3
85.06546	3.8
91.03954	7.7
91.05481	68.0
91.12485	3.0
93.06485	6.5
93.07051	100.0
95.04952	11.5
95.08611	45.0
97.02897	15.4
97.06532	17.3
99.04468	6.0
99.08101	7.0
103.03941	3.7
105.07037	65.1
107.04977	5.6
107.08595	55.7
109.06536	5.7
109.10166	17.4
111.08080	6.4
115.05442	4.0
117.07024	27.3
119.08591	50.3
121.06516	5.7
121.10156	34.9
123.08132	4.4
123.11687	6.4
127.03883	4.2
128.06216	2.9
129.05519	5.9
129.07014	11.8
131.08578	28.7
133.10141	51.8
135.08080	6.2
135.11690	35.4
143.08604	8.5
145.10123	20.2
147.11691	37.1
149.09631	9.8
149.13312	32.3
151.11162	3.3
157.10127	10.8
159.11679	27.7
161.13277	25.6
163.11182	7.6
171.11679	9.9
173.13293	12.0
175.14821	10.2
177.12769	11.3
179.14354	4.3
185.13251	9.2
187.14809	4.3
195.13791	11.4
204.70676	3.3
217.16086	3.9
225.45609	3.5
241.19485	17.4
253.90407	3.3
257.19067	5.1
259.20615	52.3
269.17505	58.4
275.20108	12.2
277.21649	7.2
333.24408	6.1
347.70480	3.4
349.23898	4.5
351.25281	60.4
398.06219	3.7
466.65500	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	563.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11584	1.7
53.03941	4.2
55.01867	1.8
55.05518	16.8
57.01435	1.5
57.03431	11.6
57.07074	3.9
65.03935	3.2
67.05509	62.7
69.07082	15.8
69.21058	1.5
69.95682	8.7
71.04984	4.4
71.08630	3.2
73.69702	1.5
79.05087	2.0
79.05505	39.0
80.37019	1.8
81.03429	2.5
81.07063	100.0
83.04985	4.8
83.08625	10.2
85.06539	5.2
91.05489	33.3
93.07050	41.7
95.04970	4.5
95.08614	49.8
97.06522	6.1
97.10159	3.8
99.08101	4.7
105.07041	37.6
107.08599	29.6
109.06506	5.1
109.10157	22.2
111.08083	2.1
111.11784	1.7
117.07029	6.1
119.08589	28.0
121.10154	26.9
123.08027	3.3
123.11728	21.2
125.09649	1.7
129.07030	2.8
131.08582	11.5
133.10097	12.1
135.11746	13.6
137.13318	2.4
143.08598	1.8
145.10118	6.6
147.11699	46.7
149.13251	8.7
157.10144	4.6
159.11671	5.8
161.13252	4.5
163.14769	3.6
165.12769	21.5
173.13248	7.9
175.11212	3.1
175.14812	2.2
183.13783	2.6
185.13319	1.9
187.14796	5.6
229.14333	6.1
243.20970	9.0
261.22174	35.4
267.15936	33.3
277.21542	2.5
279.23224	5.3
285.17001	28.5
289.37723	1.7
317.24768	10.2
335.22061	3.4
335.25812	45.7
353.26901	2.3
527.37415	6.6
545.38281	22.3
563.39105	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	563.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83463	1.2
53.03942	3.7
55.01876	2.3
55.05272	1.5
55.05513	15.1
56.98074	1.4
57.03433	5.8
57.07068	2.4
60.96597	1.5
65.03931	3.5
67.05510	62.4
69.07070	17.2
69.24076	6.4
69.24508	6.0
71.04994	3.2
71.08645	1.9
77.03897	1.1
79.05499	38.5
81.03429	1.8
81.07062	100.0
83.04969	5.5
83.08604	8.5
85.06538	4.6
91.05484	32.2
93.06487	2.0
93.07048	35.1
95.04982	3.5
95.08614	41.7
97.06528	5.5
97.10174	3.8
99.08102	4.9
101.05945	1.4
105.04514	2.1
105.07035	36.0
107.08606	28.6
109.06510	6.1
109.10154	18.6
109.10850	2.2
111.08045	2.2
113.06065	1.7
117.07027	5.5
119.08588	28.0
119.09373	2.5
121.10152	29.0
123.08065	5.3
123.11711	25.4
127.07570	3.3
129.06923	1.7
131.08551	8.4
133.10162	8.8
135.11690	13.2
136.22301	1.5
137.09636	1.7
137.13225	3.6
141.97472	1.7
143.08516	2.1
145.10117	9.1
147.11699	52.7
149.13245	7.5
151.11105	1.4
155.08533	1.6
157.10056	1.3
159.11707	6.1
161.13263	3.7
163.14850	4.5
165.12752	23.3
169.10194	1.6
173.11946	1.3
173.13289	7.6
175.11156	2.3
177.16443	2.1
183.13831	3.9
187.14882	3.8
193.12198	4.1
229.14392	4.3
243.21097	7.2
261.22165	33.0
267.15955	32.6
269.17386	1.5
277.21512	1.5
279.23148	4.5
285.16992	38.7
317.24838	8.5
335.25830	37.9
353.26904	5.4
399.55771	1.7
453.33627	2.6
458.80319	1.7
471.34637	4.0
527.36981	5.1
545.38446	20.3
563.39343	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	563.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01876	3.8
55.05518	18.5
57.03439	12.8
57.07071	3.8
60.87169	1.6
65.03933	3.7
65.17842	1.5
67.05509	69.5
69.07072	21.2
69.33649	4.5
69.34064	10.2
71.05000	3.9
71.08661	1.9
71.16895	1.7
79.05073	2.8
79.05502	46.5
81.03432	3.2
81.07063	100.0
82.07417	2.5
83.04980	6.0
83.08630	13.9
84.89558	1.6
85.06537	7.3
85.24993	1.6
91.05489	35.6
93.07050	48.2
95.04977	5.1
95.08617	51.9
97.06527	8.8
97.10168	5.4
98.20893	4.5
98.21545	3.3
99.08106	4.4
105.07038	40.7
107.08601	24.9
109.06520	6.6
109.10165	24.6
111.08059	3.0
117.07009	6.2
119.08585	34.7
121.10152	33.2
123.08100	5.3
123.11722	22.6
125.09628	2.8
127.07527	2.5
131.08601	14.3
133.10155	13.4
135.11703	17.4
136.33792	1.6
137.09637	2.7
137.13264	3.3
139.11139	2.3
143.08536	2.3
145.10162	10.3
147.11693	48.3
149.09604	3.0
149.13278	10.7
151.11104	2.1
157.10234	4.1
159.11633	8.1
161.09674	2.3
161.13257	4.4
163.11180	1.8
163.14841	4.7
165.12773	25.0
173.13280	5.8
175.11154	2.5
175.14946	3.2
183.13805	2.8
185.13321	2.1
187.14871	4.7
193.12257	2.3
203.80144	1.6
212.10129	1.8
229.14377	3.9
243.21138	8.6
261.22183	37.8
267.13074	2.1
267.15912	36.2
279.23233	5.3
285.16980	33.9
317.24707	8.7
335.25821	47.3
353.26959	2.4
453.33481	4.2
471.34445	3.9
527.37024	5.5
545.38348	16.6
563.37750	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	563.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01875	3.0
55.05517	17.4
57.03438	8.8
61.64413	1.5
64.49986	1.6
65.03928	3.2
66.52226	1.8
67.05508	63.0
69.03444	2.1
69.07072	20.0
69.40493	4.4
69.40911	8.1
71.04977	2.8
75.38960	1.7
77.41086	1.6
79.05501	36.9
81.03427	1.9
81.07063	100.0
83.04984	6.1
83.08627	9.6
85.06532	4.2
90.72330	1.5
91.05482	33.6
93.07054	38.9
95.04967	4.3
95.08616	48.2
97.06524	5.1
97.10203	3.3
99.08094	5.1
105.04546	2.0
105.07043	40.0
107.08607	21.5
109.06521	4.3
109.10166	21.7
115.91982	1.4
117.07009	5.6
119.08591	28.8
121.10155	27.6
123.08099	2.8
123.11704	26.3
127.07547	3.2
128.91011	1.5
129.06966	2.3
131.08554	9.5
133.10132	10.4
135.08119	1.8
135.11713	10.5
137.09581	1.7
137.13284	2.8
143.08537	1.8
145.10123	6.9
147.11691	47.8
149.09584	2.0
149.13263	6.0
157.10150	4.4
159.11710	5.0
161.09694	1.7
161.13248	4.5
163.14851	3.7
165.12764	24.2
171.11726	1.6
173.13289	6.5
175.14816	2.3
183.13800	2.9
187.14897	2.4
193.12212	1.8
229.14328	6.5
243.20946	7.5
261.22168	28.0
267.15909	28.7
272.58899	2.1
279.23257	5.4
285.16986	35.7
317.24747	6.5
335.25818	32.1
353.27063	2.5
453.33652	3.8
471.34421	2.0
486.38742	1.6
527.37286	7.4
545.38251	16.5
563.34906	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	563.2105
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
51.77715	0.5
55.54977	0.5
60.46242	0.5
67.05489	0.7
69.03443	0.5
69.07051	0.5
70.06579	1.2
70.85291	1.2
72.08160	1.0
77.96672	0.5
84.08137	0.9
85.02924	0.9
91.05479	0.7
93.07014	0.6
95.01089	1.6
98.06077	0.6
107.04952	1.5
107.08625	0.7
113.02135	1.4
116.21228	0.5
117.50909	0.5
119.04936	0.5
121.06503	1.7
122.06844	0.6
137.05969	1.4
139.03900	1.5
145.06496	0.7
148.89404	0.5
149.05952	0.5
153.01819	2.0
157.04729	0.6
159.04190	1.0
163.03972	0.7
163.07520	1.0
167.07076	0.6
173.13235	0.6
185.04243	3.1
185.05659	0.6
189.05345	0.6
201.03702	0.8
202.06110	1.0
203.05170	3.0
204.07541	2.9
223.02309	0.5
337.12570	0.5
351.10855	0.7
353.13742	1.6
365.11713	1.2
366.12878	0.8
397.80249	0.5
418.32770	0.6
563.21021	100.0
564.21301	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63866	1.2
53.03948	1.8
55.01880	2.5
55.05296	1.3
55.05518	12.1
57.03432	2.1
58.23245	1.0
58.51591	1.3
63.60663	1.2
64.83269	1.1
67.05512	14.7
69.03435	6.0
69.07069	14.9
71.26136	2.2
79.05498	15.3
81.03423	6.6
81.07059	12.4
83.04969	3.0
83.08624	6.3
85.02921	2.8
88.60062	1.0
91.05495	8.7
93.07047	10.2
95.04955	5.3
95.08598	4.9
97.02903	5.9
97.06538	1.5
97.10181	8.3
105.07040	8.7
107.04948	3.9
107.08593	6.5
109.06537	2.3
109.10159	5.0
114.67677	1.0
117.07029	5.1
119.04910	1.4
119.08588	7.2
119.09354	1.5
121.10155	4.6
123.08070	3.5
125.09668	7.4
127.03913	1.9
129.06984	2.7
131.08571	5.4
133.06514	2.8
133.10117	3.1
134.07275	1.3
135.11723	1.5
145.10132	4.6
147.08052	4.2
147.11673	1.7
149.09654	1.8
151.11189	1.6
159.11690	2.2
161.09608	1.3
161.13220	1.4
163.11240	1.4
169.76523	1.1
171.10231	1.4
175.11296	1.3
177.12666	1.3
189.11226	3.9
193.12263	4.7
205.12291	1.7
211.13368	2.5
223.13300	10.9
227.12733	4.2
245.19084	1.5
249.14850	2.5
267.15958	3.0
273.18448	11.7
285.16989	6.1
291.19562	100.0
292.19781	2.5
365.23254	74.2
398.07401	1.1
435.23703	1.5
474.61401	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04957	1.3
52.54632	1.4
53.03949	2.3
53.12060	1.3
55.01862	4.0
55.05521	16.9
56.02065	1.5
57.03433	4.4
67.05508	16.7
69.03429	6.1
69.07079	20.0
70.07419	6.3
70.53027	1.4
79.05486	16.9
81.03424	7.6
81.07069	12.2
82.18676	1.3
83.04984	3.2
83.08615	6.8
85.02882	3.7
89.08929	1.6
91.05481	8.6
93.07045	12.2
95.04951	6.3
95.08600	8.4
97.02895	7.0
97.06506	3.9
97.10182	13.1
105.07021	8.6
105.11542	1.5
107.04949	4.7
107.08627	8.9
109.06512	1.8
109.10145	7.4
111.08022	1.7
117.06997	5.9
119.08569	11.7
121.06514	3.9
121.10159	4.6
122.63696	1.4
123.08067	2.6
125.09624	7.7
129.07002	2.9
131.08562	5.6
133.06511	1.9
133.10161	4.8
135.08087	2.6
137.09520	1.7
139.03931	1.7
143.08563	3.0
145.10110	3.2
147.08080	4.3
147.11707	3.4
149.09688	1.8
156.28360	1.4
157.10121	2.7
159.11638	1.8
161.09654	2.0
162.10529	1.8
171.10239	1.5
171.11685	2.9
175.11154	3.0
189.11275	3.5
193.12245	6.0
211.13306	2.6
223.13326	16.6
227.12704	3.5
267.15887	3.3
273.18478	9.2
285.17059	9.2
290.44489	1.6
291.19556	85.3
292.20050	2.1
347.22220	2.0
365.23251	100.0
366.23611	2.7
429.20740	1.4
572.28308	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	562.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01874	3.8
55.05516	21.1
57.03439	4.7
60.86337	1.9
61.02919	2.4
62.80207	2.0
67.05177	2.3
67.05510	23.8
68.05840	1.9
69.03430	8.1
69.07076	24.9
70.02798	1.7
70.03102	8.4
79.05486	18.6
81.03419	8.8
81.07056	18.5
83.04996	5.2
83.08615	7.1
85.02905	3.5
91.05484	16.6
93.07056	16.9
95.04990	8.4
95.08608	9.0
97.02900	5.2
97.06537	3.9
97.10179	9.4
97.79965	2.1
99.04494	1.7
105.07038	12.3
107.04935	5.3
107.08601	12.7
109.06516	3.3
109.10152	7.9
112.61925	1.7
117.07012	6.5
119.04966	2.3
119.08590	12.5
121.06505	3.2
121.10176	6.2
123.08044	2.9
125.09630	7.5
127.03910	2.0
129.07025	4.7
131.08580	7.1
132.06163	1.8
133.06476	4.3
133.10147	6.1
135.08092	3.8
137.09586	2.0
143.08488	3.9
145.10112	5.2
147.08083	5.6
147.11711	4.4
149.09636	2.9
151.11221	3.1
157.10150	3.7
161.09572	3.1
170.96402	1.8
175.11288	2.4
189.11203	3.3
193.12282	4.7
211.13416	2.7
223.13234	11.4
227.12790	4.2
245.13884	2.4
249.15002	3.3
253.14371	2.8
255.17484	2.5
267.15787	2.2
273.18433	16.2
285.16943	8.0
291.19574	100.0
292.20361	2.0
352.19156	1.8
365.23254	80.2
376.17911	1.7
381.29453	2.0
548.10156	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01858	5.4
55.05516	18.4
57.03434	8.0
67.05505	21.5
69.03420	7.4
69.07073	26.1
70.06977	6.0
70.07373	3.8
71.04980	2.2
79.05492	18.0
81.03423	11.9
81.07055	17.9
83.04983	3.9
83.08614	9.0
85.02914	5.4
91.05505	18.2
93.07030	18.3
95.04967	8.8
95.08599	8.9
97.02883	6.8
97.06564	3.7
97.10159	14.2
102.03807	2.6
105.07034	12.8
107.04945	7.5
107.08572	10.4
109.06499	3.2
109.10155	10.4
111.04418	3.0
114.94523	2.6
115.31610	1.9
117.06976	5.7
117.62000	2.3
119.04930	2.4
119.08589	12.9
121.06484	8.0
121.10137	7.2
123.08115	4.7
125.09632	9.3
129.07019	3.5
131.08540	4.8
133.06505	2.3
133.10158	5.5
135.08064	4.5
135.11684	2.4
145.06473	3.1
145.10104	6.6
147.08086	6.9
147.11653	3.6
149.09547	3.5
161.09608	3.1
163.11102	3.0
189.11255	5.2
193.12190	4.7
223.13271	13.3
227.12804	7.8
249.14868	3.0
260.39444	2.2
267.15964	3.2
273.18481	14.1
285.16873	9.1
291.19540	100.0
339.11731	2.5
347.22159	7.1
365.23224	99.1
366.23517	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	561.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
55.01910	1.9
55.05516	19.9
55.76243	1.4
57.03436	8.7
57.07084	4.0
58.19910	1.5
67.05512	48.3
67.05882	2.3
69.07069	16.0
71.04979	3.6
71.08632	2.2
71.51957	2.3
79.05498	41.7
81.03415	4.6
81.06590	2.5
81.07061	42.2
83.04984	6.8
83.08617	9.5
85.06542	2.3
87.04459	1.7
89.03917	6.3
91.05489	30.3
93.07051	34.9
94.39231	1.4
95.04972	9.5
95.08610	32.7
97.06540	3.8
97.10184	4.1
99.08098	2.1
101.49349	1.6
105.06377	2.6
105.07030	19.0
107.04967	2.7
107.08598	12.3
109.06505	3.6
109.10153	8.7
111.08063	2.3
117.03394	19.5
117.07014	3.0
119.08615	14.2
121.06490	1.9
121.10151	6.1
123.11640	3.1
129.06995	7.8
131.08572	5.4
133.10143	13.2
134.03651	1.7
135.11737	4.1
143.08527	3.6
145.01779	2.8
145.02864	44.5
145.10103	4.3
147.08076	1.6
147.11703	17.4
149.06000	5.9
149.13283	2.6
151.11130	2.1
159.11711	1.9
161.13280	6.9
171.11707	14.4
177.05479	100.0
186.05508	2.9
189.12761	4.4
207.13858	15.4
210.06837	2.0
257.87180	1.6
259.96109	1.7
281.17502	43.3
333.24332	1.9
337.27435	18.7
391.25473	1.8
543.40521	30.1
561.24207	1.9
561.40436	6.1
561.49036	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
54.38130	1.8
55.01880	9.2
55.05522	13.6
57.03441	10.1
59.90425	2.0
61.02914	3.7
67.05510	45.2
69.03429	5.4
69.07079	14.6
71.04974	4.0
71.44553	1.7
72.24364	2.0
73.02927	2.1
79.05502	24.2
81.03421	5.1
81.07061	50.0
83.04983	10.7
83.08611	3.5
85.02911	2.5
85.06528	4.6
91.05488	39.0
93.07053	29.4
94.01286	1.9
95.04962	8.5
95.08624	11.6
97.02892	2.2
97.06500	5.2
99.04456	2.8
105.07043	35.9
107.04946	6.9
107.08607	33.1
109.06513	7.8
109.10161	46.4
111.08121	3.3
117.07018	6.5
119.08564	6.7
121.06506	3.0
121.10149	6.4
123.08070	2.0
123.11710	7.3
129.07007	2.1
131.08586	10.5
133.06483	7.9
133.10150	58.4
135.08073	6.6
135.11687	3.5
143.08563	3.3
145.10117	5.8
147.08087	4.7
147.11653	3.8
147.74014	2.3
149.09628	5.5
151.11198	34.1
157.10156	3.1
159.08072	3.8
161.09636	5.2
169.12210	5.1
171.11671	2.8
175.11206	4.4
176.80634	1.9
179.10966	1.9
191.38737	2.1
215.12796	5.0
216.46910	1.7
218.73659	1.8
245.18983	2.9
251.12901	2.0
253.14380	100.0
255.17422	2.6
263.19989	3.5
267.15771	2.2
269.13803	3.1
271.15372	12.2
273.18576	16.9
291.19580	14.0
347.22171	8.8
365.23257	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.1
51.02828	0.9
53.03950	8.0
55.01859	2.9
55.05272	1.8
55.05516	25.0
57.03438	5.1
57.07071	4.0
59.05000	1.5
61.02914	1.5
62.73502	0.9
65.00919	0.9
65.03938	4.4
67.05508	84.4
68.62572	1.0
69.03427	3.5
69.07075	22.1
69.07440	0.7
69.25331	4.9
69.25761	4.6
71.04996	50.0
71.08589	1.2
79.05497	67.4
81.03444	1.5
81.07061	100.0
83.04985	10.9
83.08617	9.1
85.06088	1.0
85.06547	7.1
91.05486	61.9
93.07049	66.2
95.04987	7.4
95.08615	42.3
95.09068	0.9
97.06528	8.6
97.10171	3.4
99.08086	3.3
105.04533	3.1
105.07037	40.4
107.07876	2.1
107.08595	37.0
109.06531	4.3
109.10161	16.3
111.08089	3.5
115.05408	1.2
117.07013	11.9
119.08586	18.1
121.06498	1.4
121.10145	22.8
123.08102	1.8
123.11708	19.7
125.09601	2.8
129.07030	2.6
131.08578	18.0
133.10138	29.7
135.08049	1.8
135.11697	15.0
137.13295	1.4
141.07004	1.8
142.07758	1.2
143.08600	2.6
145.10138	9.5
147.11707	7.2
149.09541	1.1
149.13271	13.3
151.11163	15.2
151.12201	1.4
157.10184	3.6
159.11691	12.5
161.13280	7.2
163.14832	1.3
165.12688	1.4
171.11728	2.4
173.13240	4.9
175.14807	3.0
177.12756	4.6
179.14342	1.1
181.10295	1.3
183.13824	16.0
185.13280	1.4
187.13258	2.8
187.14842	2.1
195.12158	1.2
195.13802	5.6
199.14941	1.4
201.14861	1.5
209.15434	1.0
211.24088	0.9
223.96268	1.2
223.99896	1.0
227.16425	2.0
243.20885	1.0
253.18037	1.9
257.17450	2.1
261.22226	4.3
263.20071	1.2
269.17487	2.5
283.19193	3.0
285.17096	4.7
289.21790	1.5
293.21249	1.3
335.25781	1.1
361.27496	2.4
363.25348	3.7
464.22815	1.1
517.38873	22.2
529.38934	19.4
543.37628	1.3
555.73975	1.1
561.41547	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.7
55.01847	4.1
55.05510	26.8
55.22810	1.0
57.03424	4.9
57.07052	3.0
63.22860	1.3
65.03928	4.2
67.05506	99.7
69.03412	3.3
69.07069	21.7
71.04994	49.1
71.08633	1.9
73.06560	1.7
73.17355	1.3
77.03927	1.6
77.39832	1.2
79.05491	64.2
81.03396	4.1
81.07056	100.0
82.07396	1.3
83.04976	11.6
83.08623	12.4
85.06551	7.9
91.04900	2.5
91.05480	66.4
93.07046	69.5
94.68472	1.4
95.04983	9.5
95.08610	40.8
97.06509	9.9
97.10155	5.0
99.08050	2.6
104.37004	1.2
105.04488	3.3
105.06310	1.9
105.07030	40.3
107.04951	2.2
107.08599	39.9
109.06540	6.2
109.10146	17.6
111.08056	5.0
117.07029	12.8
119.08573	14.6
121.06505	2.1
121.09336	2.1
121.10146	29.2
123.08057	2.2
123.11715	17.2
125.09620	3.5
129.06985	4.6
131.08557	16.6
133.10129	32.9
135.08023	2.2
135.11687	15.4
143.08595	2.9
145.10132	9.6
147.11687	8.8
149.09604	3.5
149.13269	15.4
151.11171	15.9
155.08444	1.5
157.10092	5.0
159.11710	13.6
161.13274	5.3
163.11172	1.8
169.12222	1.5
171.11696	2.7
173.13242	5.5
177.12712	5.0
177.16354	1.2
183.13818	17.7
187.13274	1.8
187.14766	1.6
195.13811	4.0
213.16353	1.3
227.12679	2.3
227.16360	2.7
243.20937	2.0
259.20547	3.0
261.22076	4.6
269.17392	4.1
275.20041	5.5
277.21698	1.9
283.18890	1.9
285.16937	5.1
293.21191	2.5
317.24753	2.5
327.23611	1.4
335.25824	2.5
349.23468	1.7
361.27176	1.6
363.25378	1.9
517.38892	25.1
525.35559	2.5
529.38898	8.6
543.36664	5.1
561.41565	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54522	1.1
53.03947	8.4
55.01880	5.3
55.05514	32.1
55.84240	1.3
57.03447	6.0
57.07077	4.4
61.02944	1.4
65.03957	5.1
67.05508	89.2
67.25670	1.1
69.03442	4.5
69.07072	23.6
71.04999	40.2
71.05371	2.1
77.03951	1.1
77.52152	1.0
79.05497	68.1
81.03425	2.9
81.07061	100.0
83.04975	11.1
83.08633	14.1
85.06574	5.0
91.00975	1.4
91.05485	65.4
93.07049	64.8
93.07630	3.0
95.04969	9.1
95.08610	47.5
97.06538	13.2
97.10171	6.6
99.04498	1.4
99.08127	3.2
103.05471	2.4
105.04559	2.5
105.07037	39.1
107.05005	4.2
107.08608	40.0
107.83062	1.1
109.06538	6.9
109.10162	19.5
110.43130	1.2
111.04488	2.4
111.08123	4.9
117.07017	14.9
119.08591	25.6
119.09348	2.0
121.06543	2.1
121.10152	27.3
123.08120	4.1
123.11726	19.0
125.09655	2.6
129.07072	5.8
131.08586	18.9
133.06456	1.5
133.10138	30.8
135.08096	3.8
135.11693	18.7
137.09576	1.3
137.13315	1.6
143.08646	3.0
145.10144	15.9
147.11696	10.2
149.09698	3.7
149.13287	16.5
151.11177	13.4
155.08604	1.9
157.10219	3.9
159.11699	16.1
161.13243	6.7
163.11206	7.9
165.12794	1.4
169.10236	1.9
169.12384	1.4
171.11790	3.0
173.13373	5.6
175.11293	1.4
175.14883	3.0
175.48975	1.3
177.12868	4.8
179.14394	2.3
181.12386	1.3
183.11726	2.0
183.13921	12.2
183.15123	1.2
185.13385	1.9
187.14949	3.3
189.11191	1.6
192.16103	1.2
195.13953	5.4
197.13387	2.4
199.14946	2.2
201.16429	1.3
211.15083	1.3
227.12833	7.4
227.16357	1.4
253.14435	1.9
253.18195	2.4
259.20660	2.3
261.22107	6.5
267.16159	2.5
269.17749	5.1
275.20041	8.9
283.15604	3.9
283.19302	1.4
285.17157	3.5
291.19781	3.5
293.21161	2.2
315.23468	1.6
335.25903	5.0
349.23807	2.7
363.25418	2.9
437.34201	2.7
447.30685	1.6
451.32455	1.6
511.37738	2.0
517.39063	20.0
529.38855	23.7
543.36761	12.7
561.40991	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.6
54.46425	2.2
55.01875	2.9
55.05515	21.3
57.03431	9.8
57.07074	3.0
57.97923	1.9
67.05509	64.1
69.03423	2.5
69.07070	25.5
70.90607	2.9
70.90946	3.3
71.04966	4.3
79.05495	46.5
81.03416	5.3
81.07060	100.0
83.04981	8.4
83.08622	15.8
85.02925	2.9
85.06542	4.9
91.05488	54.2
93.06480	4.5
93.07047	57.6
95.04955	10.6
95.08057	4.0
95.08606	43.2
97.06511	12.2
97.10180	4.9
99.08092	4.7
103.05485	2.3
105.07034	61.3
107.04946	5.1
107.08596	34.2
109.06519	8.5
109.10151	12.7
111.08075	5.8
117.07027	12.4
119.08588	51.9
119.09336	1.2
121.06517	4.0
121.10136	29.7
123.08047	6.6
123.11724	19.9
125.09641	2.8
129.06999	7.0
131.08566	18.4
133.10133	26.7
135.08041	2.4
135.11700	15.7
137.13304	2.5
143.08569	6.4
145.10121	21.5
147.11691	77.7
149.09636	5.5
149.13255	12.9
157.10112	7.5
159.11722	14.0
161.13239	22.6
163.11247	3.7
163.14867	3.2
165.12775	26.7
169.10077	3.1
171.11693	7.1
173.13275	7.6
175.11218	2.5
175.14839	13.1
177.12752	4.3
179.14304	2.7
181.45230	2.3
185.13278	6.0
185.51826	2.4
187.14868	4.4
193.12335	3.0
195.13922	2.9
197.81561	2.6
199.14857	6.6
227.12868	3.3
229.14355	7.1
231.21169	4.0
241.19527	21.4
259.20584	37.9
267.15894	19.4
269.17380	3.7
274.18747	2.5
275.20154	8.2
277.21597	4.8
285.16962	38.3
315.23291	5.1
333.24249	28.3
349.23810	3.7
351.25284	4.3
451.32184	6.0
469.33084	7.5
525.35590	6.1
543.36725	24.9
561.37830	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	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13208	1.9
53.03943	8.4
55.01883	14.9
55.05270	2.6
55.05516	35.8
57.03432	8.0
62.83629	2.2
65.03940	5.1
67.05509	84.9
69.03427	2.6
69.07076	34.2
69.33650	8.1
69.34088	8.2
71.04993	6.8
73.45600	1.9
79.05495	58.9
81.03414	4.5
81.07063	100.0
83.04982	10.2
83.08618	15.3
85.06553	3.5
91.05488	60.8
92.05787	2.2
93.07052	63.5
95.04976	11.5
95.08055	3.6
95.08615	40.7
97.06538	20.3
97.10162	7.4
99.08107	4.8
103.05450	2.5
105.07040	50.1
107.04963	11.1
107.08592	40.1
109.06506	7.9
109.10167	19.7
111.04443	4.0
111.08062	7.2
115.05465	2.5
117.07016	16.6
119.08586	36.0
121.06503	4.1
121.10143	26.0
123.08077	5.1
123.11732	10.6
125.09621	6.7
127.07542	2.1
128.06236	2.6
129.07013	8.8
131.08578	31.9
133.10144	37.9
135.08043	6.6
135.11688	16.0
136.79927	2.2
137.09579	3.8
141.06993	4.1
142.07738	2.2
143.08623	10.7
145.06488	2.4
145.10133	19.7
147.08032	3.8
147.10654	3.1
147.11703	29.5
149.09624	15.1
149.13277	14.8
151.11197	4.7
155.08542	5.2
157.10124	9.4
159.11728	15.9
161.09679	3.4
161.13258	16.1
163.11197	11.8
163.14752	1.9
165.12737	9.1
169.10117	4.8
171.10245	2.5
171.11676	6.7
173.13272	7.5
175.11166	2.8
175.14824	3.6
177.12761	5.6
181.10129	3.4
183.11681	5.7
185.13304	8.6
187.11250	2.6
187.14792	3.4
189.11209	4.6
195.13846	6.1
197.13353	4.2
199.14828	4.2
209.11760	5.6
211.14847	2.5
227.12814	6.6
229.14265	3.6
229.19662	2.5
239.18042	2.5
241.19534	4.9
247.20451	2.7
257.18961	6.3
259.20523	10.8
267.15942	8.2
269.17480	14.7
275.20050	41.1
276.20343	3.3
277.21857	2.2
283.15530	2.4
285.17001	8.6
293.21143	6.2
301.21494	2.7
315.23123	2.7
333.24283	8.1
349.23828	16.4
431.27979	3.1
433.30801	4.9
451.32401	9.7
469.33304	6.6
487.34052	3.8
497.26666	2.4
513.36761	2.5
525.35553	6.9
543.36859	35.2
561.37823	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01855	4.6
55.05511	20.6
57.03442	12.8
57.07054	3.2
59.04971	2.1
61.16274	1.5
63.27888	1.7
63.35902	1.8
65.03931	2.8
65.75353	1.5
67.02357	1.5
67.05508	46.7
69.07070	25.1
71.04987	6.0
71.08615	2.6
74.67171	1.5
77.49049	1.7
77.55912	1.4
79.05495	49.7
80.08526	1.7
81.03426	8.6
81.07058	100.0
81.67899	1.5
83.04968	8.5
83.08614	13.4
84.92622	1.7
85.06537	5.8
91.05482	54.9
92.05797	2.0
93.06490	3.0
93.07047	50.5
95.04958	7.0
95.08606	32.5
97.06524	8.7
97.10143	5.3
99.08080	6.0
105.07034	76.1
107.04948	3.6
107.08591	32.7
109.06499	7.6
109.10141	12.7
111.08066	3.1
113.05953	2.4
117.07037	15.9
119.08589	60.1
121.06530	2.6
121.10140	32.1
123.08053	6.0
123.11704	24.6
125.09595	2.7
129.07042	8.0
129.87288	1.7
130.07753	2.2
131.08563	24.4
133.10123	29.9
135.08014	2.6
135.11702	13.4
137.09581	1.6
137.13240	2.6
141.06874	1.8
143.08536	6.2
145.10150	14.2
147.08008	2.3
147.11688	83.8
149.09572	4.1
149.13216	9.4
151.11223	1.7
157.10158	10.5
159.11711	11.7
161.09659	3.1
161.13269	25.3
163.11177	3.5
163.14828	2.8
165.12767	30.2
167.14188	1.6
171.11691	12.3
173.13310	8.0
175.11261	4.3
175.14838	13.9
177.12759	2.0
181.10268	1.9
183.13821	4.3
185.13321	9.2
187.14825	2.2
189.12857	1.9
193.12233	5.4
199.14777	4.1
203.14336	2.6
211.13237	2.2
229.14342	6.2
229.46553	1.8
233.84972	1.8
241.19511	29.9
257.18973	1.7
259.20602	48.5
267.15903	27.0
268.57919	1.5
269.17474	4.0
275.20102	6.5
277.21634	8.4
285.16977	50.4
292.20062	1.8
293.21130	1.7
314.88113	1.6
315.23154	6.2
333.24234	35.1
338.64313	1.9
342.51379	1.8
349.23871	2.8
351.25360	7.8
433.30820	3.5
451.31976	4.5
469.33173	5.6
487.33658	1.9
525.35614	4.8
543.36829	19.4
561.38000	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01423	0.7
51.02375	2.2
53.03940	2.4
55.01866	1.5
55.05501	4.0
57.03418	1.1
57.07057	0.9
60.04507	0.9
65.03938	1.7
67.05505	7.8
69.03415	2.2
69.07063	2.6
69.30966	7.1
71.04971	1.3
79.01869	6.4
79.05486	8.0
81.03442	1.5
81.07062	19.4
83.04991	1.6
83.08614	2.0
84.04507	1.1
84.08147	3.1
91.04973	1.4
91.05489	15.3
93.07045	18.2
95.04974	5.8
95.08058	1.4
95.08606	15.4
97.02882	2.3
97.06517	3.8
103.05466	1.5
105.07037	22.0
107.08602	27.9
109.06504	1.8
109.10167	5.1
111.04456	1.4
117.07010	3.2
119.08583	33.5
120.08099	1.0
121.06474	2.4
121.09329	1.6
121.10152	24.3
123.04420	1.3
123.08085	8.7
124.94209	0.9
125.02333	3.6
125.09634	2.6
127.03907	2.4
129.06984	1.5
129.10194	1.3
131.08580	3.1
133.06456	1.5
133.10138	24.3
135.08083	2.0
135.11697	18.0
136.07591	1.4
137.09694	1.9
139.03903	3.1
142.07782	1.0
143.03387	7.4
143.08575	1.4
145.06499	0.9
145.10149	3.7
147.04361	0.9
147.08025	1.8
147.11697	8.5
149.09602	0.9
153.01839	100.0
153.02934	7.0
154.02173	1.2
157.10106	2.4
159.07997	0.9
159.11716	7.0
160.69385	0.7
161.09610	3.4
161.13264	16.2
163.11261	0.8
165.01869	1.3
171.02849	2.2
171.11682	2.0
175.11195	1.6
175.14906	1.1
179.07077	0.9
183.02890	2.7
189.12772	2.8
189.16396	38.2
190.16673	1.2
191.07082	1.0
199.14798	2.5
207.06429	1.1
217.15886	11.6
233.08076	0.9
235.16904	3.7
245.04402	1.0
289.15509	2.4
309.06027	2.9
327.07193	6.6
351.15692	1.0
369.17178	4.1
387.17978	0.9
391.20874	1.1
543.21960	2.5
561.22821	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.2
53.03947	0.5
55.01869	0.5
55.05514	4.3
57.07079	16.8
65.03954	0.7
69.03438	1.4
70.11972	1.0
73.02905	0.3
73.06557	0.7
81.03419	1.6
82.06200	0.3
85.02912	2.7
86.94011	0.3
87.00851	1.2
91.05457	0.3
97.02892	1.3
98.20678	0.3
99.04477	0.4
105.01875	0.7
109.02878	1.1
121.02867	2.2
121.03986	0.4
127.03912	1.7
129.07014	0.4
131.08583	0.5
143.04808	0.3
145.04987	0.6
149.02350	100.0
150.02670	0.5
151.89926	0.3
154.15686	0.2
159.02914	0.6
161.05972	1.2
167.03444	0.7
175.07550	4.1
185.06097	0.3
196.02609	0.2
203.07054	6.1
205.08617	7.6
221.08078	1.2
223.09651	0.5
257.28055	0.2
277.14362	32.4
278.14810	0.4
295.15439	2.1
312.17099	0.2
487.81320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.05503	1.3
57.03425	0.3
57.07078	20.8
58.63604	0.3
65.03933	0.9
66.33802	0.3
67.05520	0.4
69.03419	1.2
69.85184	0.3
69.85447	1.6
70.06571	0.3
71.04993	0.4
73.02914	0.4
73.06544	0.8
73.44515	0.3
79.05515	0.4
81.03439	1.7
81.05589	0.3
81.21001	0.3
84.08138	0.5
85.02914	3.4
87.00831	1.7
91.05473	0.4
91.07590	0.6
97.02898	2.0
98.20916	0.5
99.04453	0.7
102.33347	0.3
105.01857	0.9
109.02877	1.1
119.08493	0.4
121.02855	2.3
121.03952	0.7
127.03908	1.9
129.01875	0.3
131.08557	0.4
139.03961	0.4
145.10205	0.3
149.02347	100.0
150.02702	0.7
154.29147	0.4
159.02829	0.3
167.03421	0.6
167.52690	0.3
202.11209	0.3
203.06898	0.4
205.08604	11.5
221.08051	2.1
231.04897	0.4
277.14352	14.0
295.15295	1.6
317.32306	0.3
347.02844	0.3
379.96252	0.3
390.02905	0.3
560.36652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87000	0.4
53.03951	1.7
55.01885	2.2
57.03437	1.7
61.02929	1.2
67.05521	0.5
68.99828	0.6
69.03430	6.7
69.07070	1.0
70.04081	100.0
70.06584	1.1
70.19994	1.0
70.20384	0.9
71.04994	1.4
73.02925	2.5
73.06539	0.4
74.44302	0.4
78.23775	0.4
79.05524	0.4
79.15589	0.4
80.06654	0.4
81.03426	7.3
81.07067	0.6
82.02361	0.4
83.01360	0.5
84.08112	0.9
85.02909	20.2
87.00835	7.1
87.04501	0.6
91.03934	0.7
91.05482	0.4
97.02896	9.1
97.06559	2.4
99.04456	4.3
99.08117	0.6
103.03970	0.4
105.01876	7.5
105.07059	0.5
109.02883	7.7
115.07581	2.0
117.01893	1.4
121.06537	0.4
127.02986	0.9
127.03922	16.9
129.01859	1.0
139.03896	0.6
145.04970	11.7
147.02921	1.2
153.01897	0.6
159.02905	6.1
189.04033	1.1
217.43909	0.5
223.09651	1.0
231.05019	4.7
241.10747	0.6
249.06206	1.0
318.09396	3.0
345.72931	0.4
411.21414	0.5
560.31793	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.6
53.03941	10.4
55.01877	4.3
55.05516	29.6
57.03433	11.8
57.07077	6.9
65.03942	6.9
67.05505	91.7
69.07074	21.0
69.26495	9.5
69.26926	14.2
71.04980	5.3
79.05498	90.9
81.03407	5.6
81.07062	81.5
83.04982	15.5
83.08613	12.3
91.04911	3.4
91.05485	66.5
93.07047	100.0
95.04979	18.8
95.08067	3.8
95.08616	52.9
97.06576	4.8
97.10172	6.4
105.04560	2.8
105.07041	48.8
107.04979	7.0
107.08611	32.5
109.06504	8.2
109.10165	19.1
117.07002	16.6
119.08594	25.0
121.06551	5.5
121.10165	21.5
123.08109	7.1
123.11709	4.6
128.06201	5.0
129.07018	18.1
131.08553	19.9
133.10120	20.8
135.11719	15.1
139.11185	2.6
141.07008	3.9
143.08580	11.1
145.10103	18.9
147.11694	36.9
149.13263	7.9
157.10123	4.1
159.11674	13.6
161.09627	3.6
161.13277	12.8
163.11116	3.5
163.14864	4.5
169.10086	3.5
171.11679	25.0
173.13272	7.1
175.14732	4.1
183.11649	4.4
187.11142	3.9
187.14774	4.2
189.12741	8.1
199.14856	3.6
207.13788	20.7
220.19162	2.6
223.13222	3.2
225.14885	3.5
243.21172	3.8
261.22229	12.0
279.15976	4.4
281.17496	54.4
317.24667	5.0
335.25797	26.0
449.33997	4.0
467.35049	7.6
541.38965	51.4
559.39807	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	3.4
53.03944	8.5
53.87333	2.3
55.01868	4.8
55.05514	31.1
57.03448	15.4
57.07085	4.3
65.03946	6.7
65.71278	2.4
65.72682	2.2
67.05509	97.5
69.07076	22.2
69.26308	22.6
71.04992	5.5
71.09917	2.3
71.46149	2.9
73.06519	2.4
77.07677	2.1
79.05496	95.1
81.03416	9.7
81.07062	85.1
83.05000	15.8
83.08630	10.7
85.06548	5.2
85.14686	2.4
91.05483	74.2
91.96786	2.1
93.07047	100.0
95.04966	20.7
95.08611	58.2
97.06529	8.0
97.10185	6.9
98.20768	3.7
98.21427	7.4
105.04556	3.0
105.07038	47.9
107.04956	8.1
107.08595	37.7
109.06550	5.7
109.10159	21.3
111.08064	4.1
115.05400	2.4
117.07027	18.1
119.08594	35.1
121.06528	7.2
121.10160	20.0
123.07168	2.1
123.08083	9.2
123.11706	6.9
129.07011	18.9
131.08585	17.7
133.10161	23.7
135.11696	19.5
141.09125	3.0
143.08559	14.1
145.10114	22.2
147.11705	43.4
149.13272	9.7
150.29446	2.5
155.08691	2.6
159.11710	10.2
161.09598	5.1
161.13249	15.3
163.11186	3.8
163.14816	3.1
171.11664	29.3
173.13293	10.7
175.14830	3.0
177.12778	3.4
181.09940	3.3
183.11838	2.5
185.13232	5.4
187.11232	3.3
189.12785	12.9
207.13843	26.7
243.21043	4.5
261.22153	19.8
279.15884	8.2
281.17496	70.7
333.24557	4.0
335.25845	31.1
449.34439	3.9
467.35394	5.2
485.36346	5.6
541.31927	3.5
541.39063	54.4
559.40131	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	559.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.4
53.69303	2.8
55.01875	4.3
55.05516	26.9
57.03441	14.2
60.69734	2.8
65.03934	4.0
66.48768	2.6
67.05509	89.0
69.07065	19.6
69.84409	2.8
71.01270	5.7
72.98108	2.5
73.48804	2.4
76.69704	2.5
79.05498	91.5
81.03406	9.4
81.07060	90.1
83.04987	10.7
83.08611	11.6
85.06545	3.9
91.05483	64.1
93.07050	100.0
95.04999	18.8
95.08610	58.6
95.09174	4.3
97.06520	8.2
97.10184	6.3
103.05456	3.1
105.07034	50.0
107.04986	6.5
107.08598	26.3
109.06499	6.4
109.10181	19.8
111.08100	3.2
112.42210	2.7
117.07005	14.2
119.08591	30.7
121.06522	2.7
121.10138	20.1
123.08073	8.1
123.11681	6.8
129.06996	17.6
131.08551	15.7
133.06540	3.0
133.10124	17.8
135.11716	12.4
143.08527	12.9
145.10117	20.0
147.08052	3.8
147.11714	33.9
149.13319	3.6
155.08606	4.8
157.10182	5.4
159.11728	10.2
161.09637	5.3
161.13245	17.2
163.14833	4.1
169.10132	5.5
171.11682	24.8
173.13277	6.1
183.11708	3.6
189.12807	8.6
207.13782	17.2
243.21330	3.2
261.22162	14.4
279.15958	8.2
281.17508	61.8
317.24609	2.7
318.80154	2.6
335.25821	33.5
336.38385	3.2
359.88712	2.7
449.34042	3.6
467.34732	4.1
485.36523	6.1
541.39014	50.3
559.40045	19.6
559.48334	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	559.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89405	1.7
53.03946	7.6
53.65491	2.0
55.01880	14.0
55.05518	37.2
57.03432	9.0
57.07079	5.6
65.03939	4.8
67.05510	73.6
69.03433	3.4
69.07075	22.3
69.75018	12.3
71.05002	5.5
71.08625	3.2
71.88226	1.7
79.05499	74.5
81.03433	17.4
81.07063	76.0
83.04987	8.7
83.08626	21.5
85.06541	5.7
89.05957	2.3
91.05488	65.2
93.07050	85.0
95.04971	22.9
95.08611	66.6
97.02878	2.9
97.06541	13.1
97.10174	7.2
99.04489	4.9
99.08124	4.3
103.05461	3.0
105.04565	3.3
105.07037	63.2
107.04960	18.0
107.08607	57.2
109.06536	11.5
109.10159	18.8
111.04474	4.2
111.08106	5.7
113.06036	3.5
117.07024	31.2
119.08587	60.1
121.06520	8.7
121.10155	33.6
123.08080	5.0
123.11702	6.1
125.05989	2.7
125.09646	4.9
128.06226	2.4
129.05548	2.5
129.07005	11.4
130.07803	2.5
131.08572	24.4
133.06491	4.3
133.08681	2.7
133.10156	42.1
135.08072	8.5
135.11700	60.6
137.09639	2.7
139.07614	2.2
141.06996	2.8
142.07782	3.5
143.08585	14.3
145.06532	2.7
145.10129	48.0
147.08058	6.6
147.11694	38.5
149.09645	8.4
149.13257	12.6
151.11250	3.2
155.08591	3.2
157.10156	12.3
159.11699	16.9
161.09691	3.5
161.13263	27.3
163.11205	58.0
165.12743	2.1
169.10123	4.3
171.11700	11.4
173.09677	2.6
173.13310	10.9
175.11172	5.1
175.14835	15.1
177.12718	3.6
181.12253	9.1
183.11696	3.0
185.13284	9.7
187.14786	4.6
189.12741	3.3
189.16455	2.2
193.12245	3.0
195.13918	3.4
199.14830	6.1
203.14232	3.5
209.13451	2.9
217.15944	4.1
217.19534	2.9
223.13234	2.8
227.12798	100.0
231.21092	6.7
241.19527	36.0
257.19034	3.5
259.20599	65.4
267.16003	12.2
273.18500	6.8
275.20151	17.6
283.15439	44.4
291.19568	12.8
293.21286	4.2
315.23279	5.5
331.22733	2.4
333.24252	59.1
349.23819	6.8
428.19119	2.5
467.31558	3.9
541.35181	32.4
559.36285	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	558.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
64.68393	3.6
67.05513	9.9
69.03423	7.3
69.07059	9.3
70.06597	6.2
71.51305	6.6
71.65623	3.7
79.05437	4.4
79.75239	3.4
85.02892	9.4
93.07005	4.1
94.06569	18.1
95.04955	4.5
104.04956	4.2
105.01821	5.2
109.02962	3.8
110.06064	3.7
117.37827	5.3
120.04491	3.5
122.06024	55.1
124.03979	4.9
127.03961	5.5
136.07498	5.3
137.05945	3.7
138.05547	4.3
140.07068	100.0
144.04463	9.4
146.06027	19.8
152.07066	15.1
153.01772	7.1
172.03941	44.7
173.04735	7.1
174.05513	50.6
204.06602	60.0
206.08101	20.1
212.09169	13.8
214.10751	10.5
237.10204	16.3
238.10892	5.3
251.08078	8.4
251.11736	5.5
252.08974	5.8
253.09653	13.4
264.08884	9.8
265.09695	30.1
266.10455	8.6
267.11298	8.0
279.07672	11.0
279.11115	9.9
281.09320	18.3
281.12222	5.0
283.10651	4.3
285.12350	11.4
293.09299	27.1
294.09930	12.8
295.10669	5.1
297.12018	3.6
309.09192	3.6
309.12259	24.1
311.10297	39.9
313.11850	92.5
321.08786	5.1
325.11829	11.8
326.12506	6.4
327.13150	5.8
331.12851	7.4
335.10196	15.0
339.09656	20.8
345.14490	17.4
353.11343	55.1
354.12137	19.5
371.12375	67.3
385.13931	82.6
386.14801	42.1
409.05139	3.7
494.19238	64.3
526.21863	73.8
538.51971	4.0
558.23499	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	558.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.5
55.36414	2.3
57.64597	2.6
69.03426	12.1
69.83865	11.3
70.06586	4.8
71.05001	2.5
79.05493	4.5
81.03414	6.0
83.42204	2.2
85.02914	22.0
91.05490	22.1
92.14449	2.3
94.04159	4.1
95.04977	5.7
97.02876	8.6
99.04477	3.3
103.05449	18.5
105.04520	3.5
105.07010	15.8
107.04961	27.6
107.08590	2.6
109.06505	3.6
111.52355	2.3
115.05438	6.1
117.06989	5.4
119.04934	16.6
121.06528	12.9
122.03648	4.5
127.03946	8.4
129.06985	5.6
131.04941	32.9
131.08589	3.2
133.02843	8.5
133.06531	15.7
134.85663	2.5
135.08043	10.4
137.05991	100.0
138.09361	3.3
139.03896	5.8
145.06506	4.1
147.04420	15.4
149.05971	16.0
151.07552	45.0
153.01848	8.5
157.06505	5.2
161.05992	74.7
161.09622	18.6
162.06758	9.2
163.03986	4.4
163.07559	81.8
165.05537	4.1
165.09178	3.2
167.07050	4.9
167.08530	2.6
174.06784	3.4
175.07576	15.5
176.99709	2.8
177.05528	5.7
177.09041	13.1
179.07109	13.4
181.06378	2.5
181.08644	14.8
189.09132	45.6
191.07057	5.1
195.08134	4.1
201.05428	4.1
203.07021	4.9
207.10167	82.3
219.10219	5.9
221.11794	4.6
223.07652	4.4
225.09137	4.3
227.10683	7.8
229.08725	3.0
253.08701	3.9
253.12151	4.3
255.10219	6.2
265.08511	3.6
267.09930	3.2
285.11182	4.4
287.12778	14.7
291.12180	5.2
299.12704	2.5
305.10110	3.9
311.12570	8.2
313.14355	20.6
325.14417	5.3
331.15390	42.4
343.15317	9.7
343.19373	2.8
420.12805	6.5
589.25769	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	558.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07240	2.4
60.04546	3.6
67.05506	7.9
69.07072	9.1
70.06596	6.6
71.51109	2.7
74.13858	2.9
84.08143	2.7
85.02922	3.8
93.07042	3.6
94.06580	26.6
95.04964	9.2
96.04488	2.7
97.06533	2.5
98.13071	2.4
107.08635	3.7
109.77746	2.5
110.06076	3.0
112.07627	8.0
116.05007	2.9
118.10427	2.3
120.04542	4.9
122.06039	66.4
123.04443	3.7
124.07591	4.7
127.03966	4.5
136.07607	4.0
138.05542	5.1
139.03899	2.9
140.07079	100.0
144.04472	9.4
146.06038	25.3
152.07076	24.1
153.01855	32.9
162.05525	6.9
166.05038	4.5
172.02542	4.9
172.03963	70.0
172.05444	3.5
173.04671	9.6
174.05519	43.3
179.14365	4.9
180.06555	8.1
182.08243	2.6
188.03796	2.9
190.05035	2.7
191.05786	4.3
192.06586	3.8
198.07704	11.3
204.06567	77.0
205.07362	3.5
206.08139	26.0
212.09216	34.1
214.10760	16.5
215.82106	2.5
237.10344	7.7
239.08125	3.3
251.08282	3.6
253.09645	6.5
264.08826	3.6
265.09689	18.7
266.10626	3.5
267.11215	7.8
275.19666	3.0
279.07724	5.1
279.11072	3.0
281.09332	7.0
285.12338	8.2
293.09271	13.1
294.09958	7.6
295.10547	2.8
301.32556	2.8
307.10724	2.8
309.12308	11.1
311.10306	17.7
311.13474	2.8
313.11880	71.5
315.07101	6.7
321.08688	2.9
325.11835	8.5
326.12543	4.8
327.13385	5.8
331.12946	8.6
335.10498	6.1
338.08945	4.5
339.09778	14.5
342.95651	2.5
345.14496	15.6
353.11359	46.3
353.15710	3.2
354.12216	12.1
371.12387	44.5
385.13977	60.7
386.14667	32.6
392.41119	2.9
455.17065	2.7
458.18729	3.1
494.19186	40.5
526.21851	81.7
558.29291	5.8
559.31189	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	557.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.7
51.31471	2.2
53.03954	5.7
55.01876	3.6
55.05515	53.5
57.03437	31.5
57.06794	3.7
57.07080	74.7
59.04993	6.5
65.03945	3.1
67.05508	76.8
69.06693	4.7
69.07070	82.4
69.16991	24.7
71.08632	47.1
75.04491	12.9
79.05489	35.7
81.07056	100.0
83.04976	5.0
83.08146	4.4
83.08625	63.8
83.09120	3.6
85.06521	5.6
85.10195	28.0
89.06034	13.2
91.05495	14.5
93.07050	43.3
95.08615	91.9
97.06548	17.3
97.10181	49.6
99.08109	3.8
105.07032	9.4
107.04949	4.8
107.08601	33.4
108.92627	2.1
109.10162	46.0
111.08070	8.9
111.11742	14.4
113.06011	3.5
115.07555	2.8
119.08536	3.8
121.10158	37.7
122.69991	2.4
123.11719	17.8
125.09624	6.4
125.13312	4.9
128.27792	2.5
129.09076	4.8
131.07053	8.2
131.08543	3.2
133.08588	6.4
133.10135	5.6
135.11700	26.1
137.13274	7.2
139.11192	9.6
143.10629	3.0
149.13298	18.5
151.14780	3.8
153.12764	9.2
158.85043	2.7
163.14830	6.8
167.14354	3.5
177.16359	5.9
181.15759	3.6
191.17912	2.6
199.16977	3.7
213.18446	2.5
223.13306	3.8
283.26373	5.2
284.26468	2.6
345.35135	8.3
363.36221	16.1
373.34625	21.5
391.35727	63.0
427.37881	61.3
465.39423	47.2
467.37445	3.6
478.93579	2.5
483.40460	72.4
484.40570	2.9
539.43170	26.5
557.44666	56.5
557.52985	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	557.401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25174	1.3
55.05504	5.2
57.03434	3.8
57.07081	100.0
58.04225	9.6
59.05008	31.8
67.05515	13.5
69.07085	10.3
71.04998	2.6
71.08636	77.3
71.51729	2.3
72.05787	13.3
73.02915	5.0
73.06564	10.4
79.05482	7.8
81.07045	14.0
82.07827	3.1
83.08611	4.9
85.10190	62.0
86.07358	1.8
87.04466	14.0
88.05253	2.7
89.06039	17.4
90.01924	36.2
91.05469	6.7
93.07059	9.8
95.08618	9.2
96.09393	2.0
97.10164	5.0
99.11728	10.1
103.07579	11.7
105.07029	3.9
107.08575	4.2
109.10150	4.4
111.08058	1.6
111.11700	2.4
113.13251	3.0
116.08366	3.4
117.07001	2.7
117.09122	6.0
119.08544	4.3
121.10183	3.8
129.06990	1.8
131.08539	6.4
133.08627	9.4
133.10098	4.4
135.11732	2.9
135.71809	1.5
145.10136	3.8
147.10190	4.1
147.11618	1.9
149.13303	1.8
152.15611	4.7
155.08621	1.6
155.17935	7.6
157.10149	1.8
159.11670	2.6
161.11792	2.1
161.13248	2.2
173.13264	2.6
177.11224	2.6
178.07108	5.8
183.17485	4.6
195.11894	1.5
208.15477	2.6
212.21413	2.4
213.22130	6.4
222.09665	9.1
222.16905	2.3
223.15382	4.7
238.16493	2.5
253.16544	3.5
257.24777	5.4
268.17569	2.8
280.21072	1.9
284.26489	1.9
297.22098	1.6
328.16098	7.9
392.38184	1.6
406.35208	10.6
418.73721	1.6
466.36722	1.7
511.49768	1.7
539.36359	1.7
557.40948	11.2
557.52734	3.4
565.17365	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24676	1.3
53.03950	4.8
55.01876	3.7
55.05516	19.6
57.03436	7.2
57.07088	2.7
65.03947	2.4
67.05508	43.2
69.07071	16.8
69.25858	11.0
71.04993	2.1
71.08617	1.7
77.03944	1.6
79.05498	38.5
81.03424	4.9
81.07062	41.2
81.86002	1.2
83.04980	3.3
83.08615	9.6
85.06564	3.4
91.05486	39.4
93.07051	38.2
95.04981	6.8
95.08607	28.8
95.09165	1.9
97.06547	5.8
97.10188	4.7
103.05518	1.4
105.04534	2.0
105.07037	34.7
107.04986	5.8
107.08596	19.7
109.06546	5.1
109.10173	12.4
110.39189	1.2
111.08067	2.1
115.05466	2.5
117.07039	16.9
119.08586	27.8
121.06560	3.1
121.10151	11.6
123.08089	4.9
123.11694	2.8
125.09640	2.8
128.06248	5.8
129.07013	19.1
130.07840	1.6
131.08571	29.7
133.06502	1.8
133.10139	18.6
133.11070	1.4
135.08095	3.1
135.11690	9.8
137.09612	1.3
141.07007	8.2
142.07793	4.9
143.08563	20.9
145.06516	3.0
145.10132	27.2
147.08063	2.8
147.11688	16.8
149.09641	3.2
149.13283	4.4
153.07132	1.5
154.07816	1.6
155.08568	20.4
156.09386	2.4
157.10130	20.9
159.08095	2.1
159.11707	17.0
161.09717	2.6
161.13251	11.4
163.11261	2.2
163.14777	2.1
165.07050	2.3
167.08583	6.2
168.09358	1.8
169.10139	23.4
171.08101	1.9
171.11703	22.5
171.13135	1.7
173.13280	10.6
175.11263	1.9
175.14899	5.4
177.12889	1.6
179.08607	4.3
180.09337	1.9
181.10112	12.8
182.10930	1.9
183.11688	17.1
183.13171	1.5
185.09772	2.5
185.13269	15.3
187.11221	3.1
187.14845	6.4
189.12813	3.1
193.10197	5.1
193.12114	1.3
194.01694	1.3
195.11732	14.1
195.13507	1.9
197.13286	12.1
199.11195	1.8
199.13321	1.5
199.14845	10.0
201.16449	3.1
205.12209	2.0
206.81012	1.3
207.11856	2.8
207.13876	3.6
209.09711	1.2
209.13292	8.3
211.11348	1.3
211.14864	9.6
213.03336	1.3
213.16383	12.1
215.18002	2.1
219.11728	1.5
221.13307	3.2
223.14908	8.2
225.16455	4.3
227.12827	1.5
227.18073	2.1
235.14882	3.2
235.17113	1.3
237.16460	3.7
239.17944	2.0
241.19569	5.7
243.17542	1.5
247.14902	1.6
247.17133	2.3
249.16487	2.3
251.18134	1.9
257.19135	3.5
259.20560	13.4
261.22299	2.2
265.18021	2.0
275.20193	1.9
277.21960	1.8
279.16016	3.9
281.17392	9.0
287.20251	1.7
295.12381	1.3
297.22232	2.2
311.23538	1.9
313.21625	2.1
315.23636	1.3
321.21942	1.7
323.23758	3.6
325.21304	1.5
327.23392	1.4
331.22983	1.6
333.24380	4.6
335.23648	2.3
337.25208	2.2
339.23178	2.6
349.25525	2.7
353.24783	2.2
367.26498	2.0
419.33414	4.4
429.31464	7.0
437.34232	11.2
447.32501	24.8
465.33688	29.9
483.34674	19.9
501.36459	1.8
503.35513	2.2
511.38147	2.1
521.36719	8.4
527.37512	3.4
529.39258	5.9
539.37372	100.0
540.37665	2.5
557.38489	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
55.01872	3.4
55.05516	26.1
57.03425	6.7
57.07078	3.4
65.03944	2.5
67.05508	49.9
69.03448	1.6
69.07076	17.9
71.04971	2.4
71.08630	1.9
74.65788	1.4
79.05072	2.5
79.05501	40.1
81.03418	3.9
81.07063	44.3
83.04974	5.9
83.08620	8.8
85.06563	2.1
87.04442	1.7
89.06033	2.8
91.05486	43.8
93.07049	41.5
95.04969	7.0
95.08604	26.7
97.06512	4.4
97.10193	4.9
103.05466	2.5
105.07034	38.5
107.04964	4.0
107.08604	18.5
109.06545	3.5
109.10182	13.6
111.08079	3.0
113.09673	1.6
115.05455	3.4
117.07020	19.3
119.08585	32.7
119.09377	2.9
121.06497	4.0
121.10164	13.3
123.08084	5.2
123.11703	3.0
125.09615	2.5
128.06230	6.3
129.07002	22.2
131.08572	34.1
133.06483	3.1
133.10123	21.2
135.08110	2.5
135.11697	9.1
137.09676	1.7
139.66109	1.5
141.06999	10.8
141.11523	1.8
142.07857	3.9
143.08568	26.1
144.09396	2.0
145.06483	2.9
145.10127	29.0
147.08090	1.7
147.11696	20.3
149.09601	3.5
149.13272	5.7
153.06943	2.3
154.07788	2.9
155.08568	21.0
156.09309	2.6
157.10149	21.3
159.08041	3.3
159.11720	21.2
161.09633	2.1
161.13243	9.9
163.11174	3.5
163.14915	2.2
167.08571	10.9
168.09398	2.4
169.10139	28.0
171.11682	21.1
173.13268	11.3
175.11269	1.5
175.14879	4.8
179.08623	2.3
181.10101	12.5
182.10942	2.8
183.11696	19.0
185.13283	16.1
187.11232	4.5
187.14804	9.1
189.12791	3.1
193.10155	2.5
195.11716	16.0
197.09616	2.1
197.13304	12.5
199.14873	11.1
201.16321	2.1
203.14264	2.0
207.11697	4.8
207.13849	5.5
209.13246	8.0
211.14876	9.7
213.12895	1.6
213.16466	11.3
217.15906	1.9
221.13263	4.0
223.14944	9.9
225.16397	4.8
235.14825	3.9
237.16400	2.9
239.18103	1.7
241.19617	7.0
247.17021	1.9
249.16429	3.2
259.20651	13.3
271.20480	1.9
279.15988	5.8
281.17282	9.3
287.19986	2.3
295.20703	2.5
297.21902	2.6
311.20160	2.8
321.22119	2.1
323.23776	3.1
333.24332	5.5
335.23611	1.8
337.25867	1.7
339.23163	2.5
341.24905	2.5
348.56735	1.7
349.25546	2.2
419.33234	4.3
429.31674	8.1
435.32693	1.7
437.34216	16.5
437.40054	2.3
447.32578	29.1
465.33731	28.2
483.34631	20.1
501.35727	3.1
521.36102	11.3
529.38831	7.5
539.37347	100.0
540.37775	2.8
557.38452	58.2
557.53094	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01896	2.5
55.05515	23.3
57.03425	7.8
57.07067	3.7
65.03944	4.5
67.05173	3.1
67.05510	40.3
69.07065	21.0
70.76423	6.0
71.04983	2.2
79.05072	2.8
79.05502	36.7
81.03419	3.8
81.07059	45.0
81.33218	2.3
83.08606	9.9
85.06553	5.1
91.05481	42.3
93.06493	2.5
93.07050	38.3
95.04962	8.4
95.08613	28.6
97.06527	3.7
97.10159	6.1
105.07044	38.4
107.04944	6.1
107.08595	18.8
109.06506	4.5
109.10149	14.1
115.05430	3.7
117.07018	19.1
119.08599	29.5
121.10159	10.9
123.08053	4.1
125.09648	2.5
128.06218	8.6
129.07022	21.0
131.08577	31.0
133.10138	18.0
135.11682	9.3
141.06998	9.8
142.07793	4.5
143.08572	25.0
145.06456	3.0
145.10101	25.3
147.11697	24.1
149.13271	3.3
151.11203	2.4
155.08559	18.9
156.09401	2.6
157.10138	22.9
159.11700	21.5
161.09685	3.2
161.13281	14.9
161.75388	2.1
163.11230	5.0
165.07085	2.4
167.08569	9.2
169.10135	22.3
171.11714	21.9
173.13286	10.5
175.14836	4.1
177.12740	3.8
181.10156	14.3
183.11739	15.5
185.09592	2.4
185.13261	13.2
187.11215	3.1
187.14836	6.1
189.12761	3.9
193.10173	5.6
195.11751	11.5
195.13525	2.0
197.13255	9.2
199.14825	6.7
201.16411	4.5
205.10225	2.7
205.12241	2.4
207.11728	4.9
207.13654	2.6
207.78255	2.3
209.13228	9.4
211.14810	9.8
213.16374	9.1
223.14807	5.2
225.16418	5.4
231.17380	2.9
237.16423	3.5
241.19502	7.2
247.16986	2.4
257.19052	4.8
259.20642	13.6
279.15955	3.4
281.17499	10.1
288.30270	2.2
321.22211	2.5
327.23398	3.2
333.24240	4.7
339.23184	3.0
341.24759	2.4
367.26370	2.3
419.33127	4.1
429.31415	5.0
437.34256	11.0
447.32584	26.3
465.33633	27.0
483.34702	17.0
521.36371	15.9
529.38953	6.9
539.37329	100.0
557.38434	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	557.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92858	2.0
53.03948	4.5
55.01867	4.7
55.05512	23.9
57.03422	6.8
57.07069	6.5
62.46177	2.0
67.05183	3.0
67.05510	47.1
69.07075	19.8
70.76390	5.6
71.05003	3.2
79.05495	48.7
81.03414	5.8
81.07064	45.4
82.91520	2.2
83.04982	6.0
83.08625	10.8
85.06554	2.4
87.45119	2.1
91.05486	46.1
93.07047	36.1
95.04971	6.0
95.08615	37.7
97.06525	5.6
97.10149	5.5
103.05448	2.3
105.07043	43.1
107.04978	5.7
107.08598	22.7
109.06510	4.1
109.10167	12.9
111.08083	4.0
117.07013	20.1
119.08589	31.4
121.10141	16.7
123.08060	4.8
128.06210	5.9
129.07045	17.0
131.08571	36.3
133.10132	18.2
135.08055	5.8
135.11688	11.6
141.07008	10.6
142.07816	5.8
143.08569	25.8
145.10123	29.1
147.08000	4.2
147.11707	21.9
149.09680	2.5
149.13258	3.0
153.07024	2.4
154.07668	2.8
155.08585	19.4
156.09270	2.2
157.10143	22.0
159.11682	18.1
161.13231	11.0
163.11253	2.4
167.08556	10.4
168.09349	2.8
169.10147	21.1
171.11661	21.9
173.09596	2.3
173.13266	13.8
175.14853	2.8
177.12779	3.6
179.08531	3.9
181.10121	15.5
183.11726	19.7
185.13286	16.9
187.11200	2.1
187.14828	5.4
189.12723	2.3
193.10118	3.6
195.11711	12.7
195.13481	1.9
197.09558	3.2
197.11752	2.3
197.13313	14.6
199.11104	2.6
199.14844	9.0
201.16313	3.4
207.11725	3.5
207.13588	4.8
209.13261	10.9
211.14803	6.6
213.16423	7.4
221.13200	4.8
223.14798	5.5
225.16473	4.5
231.17346	3.1
235.14845	5.1
237.16505	3.4
241.19441	6.4
247.16887	3.4
257.19003	3.3
259.20615	12.1
279.15854	4.1
281.17429	11.3
297.22028	2.7
313.21576	2.9
323.23666	4.1
325.21576	2.6
333.24249	5.2
353.24799	2.5
429.31836	2.9
437.33997	10.2
447.32608	20.4
465.28259	2.3
465.33810	28.5
483.34613	23.5
511.37552	2.3
521.36139	9.6
525.36407	2.3
529.38708	7.0
539.37354	100.0
540.37329	4.9
557.38403	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.8
53.03948	0.4
55.01862	0.3
55.05512	0.7
57.03441	0.4
61.13274	0.3
64.84313	0.3
65.03936	1.2
67.05506	0.8
68.99799	1.5
69.03430	0.7
69.07061	1.0
69.14947	2.9
70.04083	0.4
70.06573	0.3
71.04977	0.3
75.60564	0.2
79.05490	0.9
81.03388	0.3
81.07070	1.8
83.04993	1.1
85.02916	0.4
85.06521	0.5
91.05478	1.0
93.03389	0.4
93.07064	2.1
95.04978	1.1
95.08611	0.8
97.06536	1.4
99.04464	1.1
102.05649	0.3
105.07045	2.1
107.04958	0.7
107.08607	2.1
109.06504	0.7
109.10191	0.6
111.00809	1.6
111.04444	1.2
117.07006	0.6
119.08557	0.5
121.02885	2.7
121.06499	0.4
121.10160	1.3
123.04440	2.1
123.08060	0.4
125.06000	0.7
127.03925	0.7
127.07554	0.4
129.07051	0.3
130.07849	0.3
131.08586	0.8
133.02856	0.3
133.06497	0.4
133.10161	0.5
135.04428	0.7
135.08096	0.3
135.11691	0.5
137.05995	0.7
138.40932	0.3
139.03914	100.0
140.04228	0.6
143.07040	0.5
145.10147	2.7
147.04385	0.5
147.11696	0.5
149.06001	0.5
151.03911	6.8
151.07553	0.6
153.01801	1.2
153.05420	0.3
154.02124	0.3
159.08047	0.3
159.11703	0.9
161.06027	0.5
163.03911	8.2
163.11235	1.1
171.11707	0.3
173.09631	1.2
177.05508	0.7
179.03450	0.3
179.07056	1.7
181.12265	0.7
187.11217	2.4
189.05389	0.3
189.09123	0.4
191.07030	0.4
191.10687	2.6
205.04994	3.1
205.12256	3.3
209.11746	0.6
215.10716	1.5
223.13237	0.4
233.11829	2.6
243.06680	0.4
247.06007	0.3
251.12857	2.1
271.06006	0.4
287.05563	0.4
287.09207	0.3
289.07089	21.1
302.03613	0.3
306.18640	0.3
333.84628	0.3
381.68231	0.3
395.24048	1.0
557.29431	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	557.348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87963	2.5
53.03949	8.7
55.01635	1.9
55.01879	21.2
55.05515	34.4
57.03441	8.3
57.07057	2.0
59.05000	3.1
65.03930	4.2
67.05509	47.5
69.03442	6.1
69.07079	20.9
71.05012	3.1
73.02915	1.6
79.05499	52.6
81.03422	31.3
81.07060	65.7
83.04977	13.4
83.08625	22.0
84.04510	10.1
85.06542	5.5
87.05745	1.9
91.05485	37.6
91.26598	1.6
91.74148	1.7
93.07048	34.4
95.04990	25.6
95.08616	22.1
97.06531	10.9
97.10184	18.2
98.20753	6.7
99.08100	2.1
105.07037	29.9
106.63102	1.8
107.04957	21.1
107.08595	18.6
108.58639	1.7
109.06531	33.2
109.10163	19.7
111.04422	4.2
111.08112	7.8
113.06038	3.0
115.05482	1.8
117.07030	20.4
119.04929	2.2
119.08588	23.5
121.06518	15.5
121.10147	10.5
122.02735	9.4
123.08112	9.8
123.11761	2.7
125.09644	13.7
128.06236	3.9
129.07010	15.1
130.05049	3.7
131.08577	24.5
133.06529	8.9
133.10126	10.5
135.08067	21.7
135.11707	4.8
137.09619	6.5
139.07616	2.0
139.71275	1.8
141.07065	4.1
142.07826	3.1
143.08542	12.6
145.06503	10.1
145.10127	17.6
147.08069	11.2
147.11714	7.2
149.09679	8.6
151.11238	3.2
153.07025	2.4
155.08620	5.1
157.06599	2.6
157.10185	10.8
159.08118	8.7
159.11734	8.7
161.05977	2.1
161.09618	8.9
161.13368	3.7
163.11241	8.6
165.09285	2.4
167.08578	4.5
169.10184	8.6
171.08127	5.6
171.11737	7.1
172.66254	1.8
173.09663	4.7
173.13251	4.4
175.11214	4.3
177.12840	2.4
181.10091	2.2
183.11786	8.0
185.09666	6.2
185.13234	3.5
187.11197	4.7
188.03725	2.0
189.09343	2.3
189.11244	8.4
189.12801	3.3
191.10768	2.7
193.10455	2.9
193.12201	9.0
195.11639	2.3
197.13283	3.1
199.11250	4.4
199.15021	2.5
201.12888	6.3
211.11145	2.3
213.12810	2.0
215.14426	2.3
217.12331	2.3
217.15967	2.7
219.13795	12.4
223.13254	2.1
227.12642	10.8
229.51311	2.1
231.13849	2.6
245.15521	4.2
245.19261	2.1
247.16994	5.7
251.06976	12.7
255.17465	4.2
267.16101	6.1
273.18515	20.4
275.20123	14.4
291.19565	14.4
297.18585	3.3
307.22784	14.8
311.20120	3.9
313.21536	15.8
315.19672	3.3
319.19012	3.4
319.57471	2.0
321.20746	2.6
341.21234	5.6
347.22458	5.3
353.21237	3.8
365.23651	2.5
367.22830	2.6
367.99319	2.3
396.81177	2.1
401.27927	2.3
415.25110	3.2
429.27878	3.4
433.26144	6.8
447.28903	10.1
465.30093	20.8
483.31256	10.5
501.32071	3.1
539.33722	24.5
557.34912	100.0
558.35168	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	556.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61180	1.0
55.01876	1.6
55.05510	6.9
57.03437	4.1
57.07084	30.2
57.30026	1.1
57.45731	1.1
58.06591	2.5
65.65721	1.1
67.05513	9.3
69.07069	5.6
69.22776	12.6
70.06605	12.0
71.08642	16.3
72.08154	2.2
73.02925	1.7
79.05492	7.4
81.07065	10.5
83.08630	7.1
84.08157	1.6
85.10184	8.0
86.09714	2.7
88.07636	8.3
89.06033	13.5
91.05481	3.1
93.07057	12.9
95.04967	1.7
95.08620	20.2
97.02889	1.3
97.06564	1.6
97.10212	2.5
99.04449	1.5
102.09190	3.2
104.10748	3.0
105.07020	2.0
107.04970	4.5
107.08611	10.2
109.10166	4.9
117.07014	3.5
118.09339	1.1
119.08589	3.8
121.06504	1.5
121.10164	4.2
123.11724	1.5
126.20300	1.6
130.87715	1.1
132.10197	6.6
133.08630	5.0
135.11684	14.4
145.10121	8.0
146.11790	6.0
163.11191	23.5
177.11226	3.0
181.12215	1.7
212.23805	2.3
227.12820	28.4
227.14966	2.2
233.92674	1.3
256.26358	11.3
283.15442	25.1
283.26340	44.5
300.29044	20.3
311.29453	6.4
313.27377	37.1
371.23068	2.6
521.38470	24.4
556.53027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54313	0.7
55.22147	0.7
55.71542	0.8
60.04535	1.4
60.39521	0.9
65.03937	0.9
67.05529	1.3
68.99792	0.9
69.51411	0.8
69.51747	5.6
70.06317	0.6
70.06599	7.4
76.56491	0.8
79.05480	1.2
81.07054	2.3
83.01358	2.0
84.08142	4.4
86.09668	0.8
91.05486	3.3
93.07056	1.9
96.08128	2.6
97.02901	1.0
98.09682	6.4
103.05505	0.9
105.07030	1.4
107.04977	1.4
109.02873	0.9
109.06524	2.0
109.10279	0.9
110.09661	1.2
119.04929	1.0
121.06507	15.5
123.04434	2.4
125.06045	1.0
127.03917	0.8
131.04851	0.8
131.08578	2.7
133.06512	1.3
137.05995	2.8
138.09145	3.5
139.03911	44.2
140.04216	0.8
143.08636	1.0
145.02867	0.9
147.04448	2.1
149.05981	2.3
149.09639	4.6
151.03897	9.2
153.01837	14.9
153.02969	1.8
153.05457	5.0
159.08130	1.9
162.06841	0.9
163.03902	15.4
163.07573	2.2
165.05446	1.9
165.09099	2.1
166.08636	1.2
171.08072	2.0
175.07571	2.6
177.05528	2.6
177.09114	51.2
179.03421	2.3
179.07031	2.4
187.07570	2.9
189.09183	3.8
190.08688	1.0
191.06966	0.8
193.08604	2.1
199.07614	5.7
201.09134	3.6
205.04968	6.8
205.08623	1.9
206.11827	1.9
216.10260	6.4
217.08655	1.7
218.11806	9.4
224.12825	5.3
230.11816	2.4
236.12823	37.8
248.05673	1.1
248.12811	10.5
255.06697	1.2
273.07639	2.1
276.05069	1.0
283.06186	1.6
291.10257	1.8
299.05731	1.1
301.07129	2.6
307.09851	1.6
309.07950	1.2
309.11172	4.9
319.09448	1.3
325.10754	1.5
337.10736	4.0
350.13986	2.5
355.11914	3.0
368.15054	2.8
374.90390	0.9
386.15997	39.6
387.16437	0.9
404.16989	1.6
556.18164	100.0
557.18604	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.8
57.48365	0.4
61.84026	0.4
63.71888	0.4
67.05476	0.7
68.69626	0.4
70.06551	1.7
71.51099	0.6
72.08134	0.4
80.05008	0.6
81.07021	0.6
84.04481	0.4
91.05482	3.4
92.85795	0.4
93.07050	4.0
94.06553	0.7
95.04922	0.8
100.07630	0.3
105.06998	0.5
108.08041	1.3
109.06462	0.7
110.05996	0.5
111.08099	2.4
117.06964	0.5
118.06450	0.5
120.08069	0.8
121.06472	1.7
122.06024	0.6
123.06683	0.4
124.07555	0.9
132.08061	1.4
134.06010	0.5
134.09665	2.9
135.08018	0.8
136.07593	4.3
137.05951	1.0
138.09113	0.9
139.03844	0.7
140.07074	0.5
144.08041	1.0
146.05980	0.8
147.06764	0.7
147.52068	0.4
148.07536	0.9
150.09113	1.3
152.07022	1.0
152.10658	1.7
153.01735	0.9
154.08629	1.8
156.07991	0.5
158.05959	0.5
160.07610	0.8
162.09145	17.4
163.07512	1.1
164.07043	0.6
165.04539	0.4
166.08673	2.5
168.10233	2.4
169.07628	0.5
172.07574	0.8
176.07063	0.5
176.10670	0.6
178.08556	1.1
180.10194	11.7
184.07549	0.9
185.07014	0.6
186.09160	0.5
187.06123	0.5
187.08598	1.5
188.06985	0.7
190.08615	2.5
192.06464	0.5
194.08110	1.3
198.07758	0.9
199.08734	2.2
200.09378	1.5
201.10234	0.7
204.10168	1.5
208.09692	22.1
209.10632	0.5
211.08650	1.5
212.07211	0.8
212.09271	0.9
213.06596	1.6
213.10211	2.3
214.07307	1.6
215.08116	4.2
215.11679	0.6
218.08125	2.1
223.08696	0.6
225.06641	2.7
225.10197	0.5
226.07243	0.8
227.08127	4.0
228.08932	1.7
229.09694	5.6
230.08113	1.4
230.10521	1.2
231.11166	0.8
232.09627	0.8
234.07632	1.0
237.10193	0.5
238.07254	0.5
239.08118	3.6
240.08890	0.7
241.09747	2.7
242.06772	2.0
242.10399	0.7
243.07652	3.6
243.11319	3.1
244.09618	0.5
245.12804	0.6
248.09123	1.4
249.10265	0.9
250.10835	3.4
251.08203	1.1
253.09808	2.2
255.07655	4.0
255.11235	1.0
256.08350	0.8
257.09195	10.1
258.07639	0.9
258.10022	5.8
259.10672	0.7
261.12494	0.6
263.08157	0.5
265.09653	1.0
267.07626	1.8
267.11249	1.1
269.09210	1.8
271.10803	4.3
272.11624	1.5
273.08728	1.9
273.12292	2.9
274.09497	0.6
276.08664	5.0
277.09457	0.5
278.10330	0.7
279.07651	1.3
279.11224	0.7
280.08478	0.9
281.09161	1.2
283.07394	0.9
283.10767	1.7
285.08734	7.4
285.11667	0.8
287.10245	1.0
289.11832	8.3
293.09225	1.1
293.12650	0.6
295.10818	1.6
297.08820	0.6
299.10226	5.2
301.08395	0.7
301.11804	0.8
302.08899	2.7
307.10687	0.5
309.08731	1.0
311.10172	1.1
315.09702	2.6
315.13150	0.7
316.10550	7.9
317.11319	100.0
318.11591	1.4
325.11765	0.5
327.09885	0.5
329.11188	1.0
339.09744	0.9
343.12854	1.3
349.13943	1.3
351.09598	0.6
353.11288	0.6
355.12900	1.9
358.15353	0.7
367.12802	1.0
369.10754	1.7
371.12408	1.7
381.10916	0.5
383.12405	5.3
385.13989	0.6
386.15250	0.9
404.16074	0.5
414.14291	1.0
428.16211	0.4
446.17419	0.5
474.16705	4.7
480.21399	2.0
492.17758	3.9
496.20734	0.5
501.06055	0.4
506.19241	4.8
524.20306	72.7
525.20691	2.3
538.21118	0.5
542.21393	2.2
556.23901	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	554.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
54.57314	0.8
55.01880	1.5
55.05510	1.3
56.05022	1.1
57.03442	4.6
61.02925	2.7
65.03949	1.4
67.05542	1.1
69.03431	3.7
69.07063	1.4
69.16302	10.2
70.06590	3.6
71.04996	26.1
73.02931	2.7
75.04478	2.9
79.05501	5.2
81.03409	2.0
81.07066	2.0
83.04960	5.4
85.02909	39.7
86.09706	1.2
87.04478	2.4
91.05479	16.8
93.07041	2.8
95.04946	2.3
95.08595	1.2
97.02899	3.0
99.04483	1.2
105.07047	3.1
107.04960	100.0
107.08611	2.0
109.06555	1.0
111.04443	1.3
119.04939	7.8
120.08111	1.2
121.06512	9.3
123.04469	2.5
127.03918	2.4
129.05476	14.3
129.37630	0.9
131.04865	4.6
133.06506	3.5
133.10150	1.1
135.04424	1.2
137.05975	1.7
139.03914	2.3
145.06529	1.4
147.04474	1.5
147.06520	5.5
148.03923	2.2
149.05995	3.2
151.03828	1.5
151.07695	1.2
153.01895	3.3
159.08099	1.5
161.05981	13.8
167.07016	1.5
173.05980	2.1
177.05482	2.7
187.07516	5.6
191.07001	2.1
205.08620	2.5
217.08658	1.1
223.09547	5.8
235.09633	1.1
304.61176	0.9
317.18555	1.8
362.21094	1.1
365.70026	1.1
437.12354	1.0
466.33865	0.9
522.18384	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.3
57.03439	2.0
57.07080	100.0
57.39837	1.6
59.05003	49.4
67.05480	2.3
68.07642	1.7
69.07072	2.9
69.66368	10.4
71.08636	67.9
71.77964	1.7
81.07040	3.9
83.08606	3.1
85.10186	55.1
88.27420	1.7
89.06037	18.6
93.07075	2.1
95.08606	3.1
97.10167	2.8
98.21448	3.5
99.11739	14.5
101.09666	5.0
102.01010	2.0
103.07569	3.6
113.13277	5.6
117.09132	16.5
130.15570	2.0
133.08582	14.4
151.09702	4.0
155.17928	10.2
209.13820	3.8
213.22200	14.3
249.17108	2.2
256.20001	1.9
267.17880	2.1
271.26352	17.2
393.96939	2.0
440.93286	1.9
528.21631	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01869	2.3
55.05503	1.8
59.68765	1.4
61.02906	1.4
65.03957	1.5
67.01825	1.4
67.05499	5.2
69.03429	2.7
69.07069	3.4
70.06589	5.1
71.51620	1.5
71.52007	1.3
77.03936	2.0
79.05489	4.5
80.04987	1.5
81.03418	2.0
81.07047	6.6
82.06589	1.2
83.04995	1.3
85.02899	1.8
85.06529	1.4
91.05480	17.1
91.60419	1.4
93.07043	18.8
94.06600	2.6
95.04990	6.3
95.08604	3.9
97.02882	1.5
97.06545	2.2
103.05505	2.0
105.04507	2.3
105.07030	5.0
107.04987	3.4
107.08579	5.8
108.08109	6.7
109.02856	2.0
109.06523	4.1
109.10149	3.2
110.06056	3.8
111.08080	9.4
117.07031	3.4
117.82494	1.1
119.04971	1.9
119.08602	3.4
120.08140	3.0
121.06490	8.2
121.10162	2.5
122.06046	3.2
123.04456	2.6
123.11731	1.5
124.07623	3.6
125.08382	2.2
129.07025	2.5
131.04924	2.2
131.07378	1.5
131.08556	2.0
132.08121	4.1
133.10155	1.6
134.05981	2.1
134.09669	10.8
135.04385	2.7
135.06802	1.6
135.08078	5.2
136.07571	24.2
137.05960	7.9
137.08366	2.0
138.05470	2.0
138.09189	3.8
139.03902	7.5
139.07608	1.3
140.07170	1.2
140.10847	1.2
144.08125	3.7
145.06519	1.3
146.06000	3.4
147.04405	2.2
147.06837	3.1
147.11732	2.2
148.07568	3.6
149.05980	1.4
149.13269	2.0
150.09174	5.4
151.03906	8.9
151.07559	1.8
152.10724	5.4
153.01836	18.1
153.02998	1.5
154.08604	3.2
158.06010	2.9
159.06892	1.9
160.07587	7.1
161.06004	4.2
161.08397	2.0
162.05461	1.3
162.09142	55.4
163.03932	3.9
163.07565	3.8
164.07114	1.8
166.08656	6.1
167.03391	1.7
167.07120	2.1
168.10226	21.7
172.07605	5.5
173.08354	2.5
174.05542	1.9
174.09187	5.4
176.07045	6.4
177.05492	2.6
178.08684	3.6
180.10201	36.3
181.06660	1.6
184.07690	2.4
186.05464	2.9
186.09125	3.5
187.06293	3.1
188.07092	6.2
189.05600	1.7
189.07671	1.8
189.09184	2.0
190.08658	8.9
196.07486	1.7
197.08376	2.7
198.09061	1.8
199.06248	2.5
200.07033	8.6
201.07895	5.6
202.04964	3.1
202.08681	5.7
204.06648	2.7
204.10225	2.7
206.08275	4.6
207.10245	3.2
208.09685	75.1
212.07144	1.7
214.05070	5.0
214.08743	3.3
216.06569	1.7
216.10202	3.2
218.08176	8.7
220.09709	8.2
224.07043	3.1
225.07680	2.2
226.08659	4.2
227.05742	1.6
228.06525	10.6
229.07362	2.9
230.08160	12.6
232.09795	3.4
234.07649	1.5
238.04883	1.5
238.08746	1.5
240.06491	1.5
242.04524	1.9
242.08134	4.1
243.08997	1.4
244.09659	12.3
246.07692	3.5
248.09264	11.0
252.06558	2.0
253.07239	1.7
254.08160	5.4
256.06210	4.0
256.09848	1.5
258.07651	14.1
259.05066	1.4
260.09296	2.0
261.06369	2.7
268.09824	4.4
270.07733	5.5
270.11078	1.3
272.09238	3.4
273.06485	1.5
274.07123	3.0
275.07837	2.3
276.08655	28.9
280.06235	2.9
282.07596	10.0
286.10727	1.9
288.08698	29.2
293.09018	1.5
296.09354	4.7
298.07202	3.6
298.10684	2.2
300.08908	2.0
310.07089	3.1
314.10236	3.5
316.08163	52.0
317.08737	2.0
318.09705	11.3
324.08707	5.0
327.12079	3.7
342.09680	8.9
345.12326	2.4
348.10782	72.6
352.08124	9.5
356.11374	2.0
370.09235	30.4
370.13455	2.2
374.12360	4.2
377.15018	2.0
384.10965	1.7
385.12000	2.9
387.13525	1.7
393.09952	2.0
393.22620	3.8
400.10294	1.7
402.12076	3.0
416.13431	3.7
419.16641	1.5
429.14996	1.5
445.14087	1.7
461.17249	1.8
463.15323	1.5
467.29465	1.2
477.16733	2.9
479.11908	2.1
479.17941	8.7
491.14670	6.9
495.18082	6.7
505.16092	16.6
523.09027	2.1
523.17120	54.0
537.18695	9.4
555.19836	100.0
555.27710	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	554.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03476	1.3
55.01883	0.5
68.99795	0.8
69.96730	0.6
70.06597	100.0
75.38816	0.3
79.01856	0.8
79.05511	0.5
81.03436	0.5
83.08934	0.3
85.02929	0.4
91.05469	0.9
93.03400	0.3
93.07040	0.7
94.12846	0.4
95.05003	0.5
98.20724	0.4
99.04468	0.4
103.05473	0.8
105.07063	0.5
107.04974	1.2
110.06201	0.3
113.31606	0.4
121.02885	0.6
121.06486	1.8
127.03889	0.4
133.06549	0.8
135.04414	2.1
136.07513	0.4
137.05997	0.7
139.03909	20.2
143.03384	1.0
149.05995	2.4
151.03926	0.6
153.01851	13.1
153.02927	0.8
153.05495	0.4
159.04482	0.4
161.06059	0.8
162.09148	0.8
163.03905	5.8
165.05527	1.2
177.05482	17.5
180.10155	0.3
181.04973	2.6
189.05502	2.8
203.65730	0.3
205.05046	1.2
208.09750	1.5
234.11272	0.5
304.05331	1.1
305.05444	0.5
315.09573	1.0
327.08664	3.6
345.09756	3.8
347.12473	1.0
419.06192	0.4
451.49475	0.5
497.03638	0.6
497.10852	7.6
522.18890	0.4
537.18652	1.4
554.16504	17.0
555.16052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
63.41808	0.7
66.80970	0.6
67.05506	3.3
69.17274	5.5
69.17702	3.3
79.05497	1.8
79.69093	0.7
81.03419	1.0
81.07050	1.3
83.08662	1.0
90.83379	0.9
91.05488	2.1
93.07071	1.1
95.08586	1.5
96.02985	0.7
98.21544	1.5
109.10191	1.4
119.08627	0.9
135.11716	1.2
149.49376	0.9
159.11748	0.8
171.50024	0.7
207.58046	0.9
231.43105	0.9
232.15474	1.2
326.24554	0.9
391.24579	1.9
553.29852	100.0
554.29974	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81164	0.4
52.19665	0.4
53.03954	0.7
54.03462	0.9
55.04259	0.5
58.06607	0.6
68.99789	2.7
70.06596	100.0
71.01331	0.5
72.06019	0.5
79.05515	1.3
80.57166	0.4
81.07040	1.0
82.12463	0.4
91.05502	1.3
91.75127	0.5
93.07069	1.1
103.05488	1.9
104.57137	0.5
107.04979	2.0
121.06507	4.1
126.35495	0.4
131.04950	1.3
135.04408	3.5
139.03894	7.0
143.03401	0.7
149.02342	0.5
149.05974	7.2
153.01830	8.5
153.02936	0.7
159.04457	1.5
161.05991	2.2
163.03894	4.5
165.05502	1.3
172.33839	0.5
175.07570	0.9
177.05481	74.6
181.04974	1.9
189.05441	1.6
205.05093	1.3
234.11183	3.7
272.09528	0.5
284.11026	0.5
309.07428	0.7
327.08740	3.7
345.09750	2.6
384.14447	1.8
497.10779	6.5
554.16632	38.8
555.16876	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2988
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
70.23217	1.4
83.01114	1.1
84.01869	0.4
91.05466	0.4
93.07092	0.4
93.30289	0.3
95.01116	0.5
97.02682	0.4
98.21431	0.5
133.03520	0.3
139.03670	0.4
148.66356	0.3
157.04779	0.4
184.03430	0.5
185.04253	1.5
201.03690	1.4
201.95125	0.3
203.05208	1.7
259.07925	2.2
274.39563	0.4
317.19730	1.0
331.09961	2.4
359.13196	0.5
359.20773	0.3
373.14334	0.4
391.24600	0.5
401.17960	0.4
406.89426	0.4
415.19321	1.3
455.22473	0.6
483.22137	1.6
510.03317	0.4
535.28351	0.4
539.54706	0.4
553.29865	100.0
554.30011	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	0.6
69.82913	1.7
77.36398	0.3
78.51139	0.3
79.05481	0.3
80.55464	0.3
81.07072	0.3
95.08601	0.3
104.38006	0.4
132.03531	0.4
134.30539	0.4
157.04686	0.5
185.04231	2.9
201.03748	1.4
259.07965	0.7
275.07458	1.2
301.08969	0.7
317.19742	0.6
325.51889	0.3
331.09982	3.1
355.97748	0.3
359.13284	0.6
373.14774	0.7
391.24469	1.0
401.17593	0.5
415.19254	1.0
455.22421	0.5
483.22150	2.2
553.29865	100.0
554.30243	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2991
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
61.40162	0.8
67.05511	1.8
71.52019	0.9
79.05516	1.1
81.07071	1.5
93.07045	0.7
95.08635	1.2
107.08572	0.8
109.10175	1.2
117.08591	0.7
119.08614	0.8
128.99852	0.7
179.10634	0.7
203.05307	1.0
394.88599	0.8
426.59610	0.8
553.29877	100.0
554.29956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.05516	7.4
56.05029	4.9
57.07067	2.7
60.04517	3.4
62.51039	1.5
63.37418	1.4
63.51162	1.3
66.44002	1.4
67.05505	15.0
68.05010	2.0
69.07070	9.1
70.06568	2.1
70.69438	3.3
70.69775	1.8
71.08634	3.4
77.22299	1.4
79.05489	10.6
80.05021	3.3
81.07067	9.7
82.06571	6.8
83.08613	5.1
85.10175	2.1
91.05476	8.6
93.07054	8.9
94.06573	17.5
95.07355	7.4
95.08624	7.8
96.08124	3.4
97.10181	2.5
104.97398	1.3
105.07014	6.4
107.08593	5.0
108.08117	2.8
109.10175	2.5
119.08562	6.0
121.10155	5.8
122.09656	1.9
123.11716	2.8
133.10083	3.0
135.11697	4.0
136.11201	1.9
151.52322	1.4
161.13319	2.4
233.22586	5.3
245.22653	5.8
250.25346	8.9
262.25317	100.0
272.25888	4.4
280.26355	11.4
355.96695	1.8
363.05325	1.6
419.28387	1.7
504.47791	3.1
516.47723	11.1
534.48657	6.4
552.49884	1.9
565.43817	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.05527	6.0
56.05028	3.6
57.07076	3.2
60.04527	2.7
62.74036	0.9
64.36289	1.0
65.03941	1.1
67.05173	1.5
67.05507	12.8
69.07063	7.8
70.06592	1.9
71.08636	2.0
79.05496	11.0
80.05022	3.0
81.07063	11.0
82.06600	7.5
83.08619	3.6
91.05491	9.0
93.07050	10.4
93.47791	1.0
94.06575	15.8
95.04957	1.4
95.07373	10.0
95.07917	1.6
95.08008	1.5
95.08599	9.2
96.08146	3.5
97.10179	2.1
102.93177	1.0
105.07038	6.7
107.08610	4.9
108.08118	2.7
109.10178	4.3
119.08613	5.3
121.10139	5.8
122.09704	3.0
133.10127	3.1
135.11725	3.3
136.11258	1.1
147.11678	1.9
149.13293	1.7
152.23470	1.0
161.13248	1.4
176.16783	1.1
205.71803	1.0
233.22621	3.7
234.22217	1.2
245.22667	4.8
250.25330	9.1
254.25008	1.1
262.25320	100.0
263.25598	1.3
272.25873	4.6
280.26382	10.4
291.76581	1.2
455.61227	1.2
504.47736	2.9
516.47809	8.8
534.48511	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	552.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.5
56.05042	0.5
58.06585	0.7
60.08167	6.3
67.05495	0.5
70.06592	0.6
71.07108	0.3
71.07386	3.1
79.05492	0.6
81.07072	0.9
86.09711	32.4
87.11234	0.3
93.07042	0.6
95.08619	0.4
98.98483	2.6
99.75556	0.4
104.10754	12.1
105.06993	0.6
108.19375	0.4
109.88754	0.3
114.38056	0.3
121.06454	0.4
125.00010	22.0
153.01823	0.5
184.07350	100.0
185.07802	0.6
203.73074	0.4
246.20682	0.4
283.80090	0.4
337.50754	0.4
377.13983	0.4
434.22311	0.5
452.23898	1.3
534.32043	2.1
552.33191	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	552.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13629	0.5
55.01880	0.7
55.05504	0.6
56.05031	1.9
58.06597	1.2
60.08167	16.9
67.05512	0.7
69.07072	1.0
70.06580	0.6
71.07375	6.7
71.50440	0.6
71.50839	0.7
72.08131	0.6
74.30311	0.5
77.70125	0.5
79.05490	1.0
81.07056	3.0
83.05017	0.6
85.02917	0.7
85.06554	0.6
86.04242	0.6
86.09711	50.6
91.05502	1.2
93.07043	1.2
95.04999	0.6
95.08601	1.3
98.98486	3.6
99.08125	0.6
103.25623	0.5
104.10749	100.0
105.07035	1.2
107.08590	0.8
109.02885	0.5
109.06503	1.2
109.10145	0.9
111.04458	1.3
115.67445	0.5
119.04964	1.0
119.08610	0.9
121.06496	1.5
121.10167	0.9
125.00013	29.0
126.22111	0.6
127.03932	0.7
133.10118	1.2
137.05989	7.1
139.03897	0.7
143.00975	0.5
145.10139	0.8
147.04425	4.5
147.11734	0.8
153.01842	1.8
154.02234	0.7
161.09613	0.7
162.25755	0.5
167.06976	0.7
184.07352	83.5
185.07652	0.7
189.09148	0.6
189.32066	0.5
245.19283	0.5
249.56754	0.6
258.11118	0.6
264.31226	0.6
275.25919	0.5
334.57727	0.6
337.23718	0.8
351.21536	0.6
516.27203	0.7
534.28290	9.9
552.29370	39.5
553.27057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	2.2
51.89521	2.0
53.03941	5.9
54.35559	2.0
55.05515	13.4
57.07059	10.4
60.96894	2.0
62.94011	1.7
65.03938	4.8
67.05507	28.2
69.07074	21.7
69.82803	9.5
71.08646	3.6
74.70207	1.7
76.39426	1.6
79.05498	28.8
81.07063	46.5
83.08631	9.5
85.10169	1.9
87.68957	1.7
91.05481	38.1
93.07049	65.5
95.04970	4.7
95.08614	47.6
97.10173	1.7
103.36694	1.8
105.07038	75.5
106.07359	2.3
107.08598	66.4
109.06516	2.9
109.09474	3.3
109.10164	48.0
115.05469	3.3
116.06241	2.0
117.07032	15.6
119.08588	100.0
121.09332	4.1
121.10157	57.7
123.08073	1.8
123.11717	19.7
128.06232	5.1
129.07008	10.1
130.07787	7.6
131.08580	38.7
133.10141	64.6
135.11694	39.5
137.09616	5.6
141.06987	3.9
142.07809	20.5
143.08589	27.4
144.09315	6.0
145.10139	81.1
146.10849	2.0
147.11691	23.6
149.09654	5.2
149.13266	6.1
155.08566	11.0
156.09363	13.1
157.08954	3.4
157.10150	41.1
158.10896	8.2
159.11702	43.1
159.39751	1.9
160.12373	2.9
161.13258	14.0
163.11218	3.4
163.14827	2.9
166.07851	2.3
167.08545	5.2
168.09348	4.9
169.10144	19.7
170.10910	8.4
171.11694	28.3
172.12462	3.5
173.13284	30.0
175.14830	46.4
178.07721	2.0
179.08589	5.9
180.09427	2.9
181.10120	11.0
182.10977	7.2
183.11731	18.3
184.12469	2.9
185.13274	19.0
187.14832	16.9
189.16380	4.6
193.10141	7.5
194.10898	5.4
195.11700	15.9
196.12419	4.5
197.13318	22.5
199.14838	13.2
201.16370	16.2
205.15964	1.9
207.11653	6.6
208.12451	6.2
209.13245	14.9
210.13968	2.4
211.14755	13.3
212.46027	2.0
213.16396	7.7
217.15924	2.3
219.11642	4.9
219.17503	5.7
221.13199	8.9
223.14819	11.8
225.16429	6.0
227.18030	2.9
231.11676	2.8
233.13303	4.5
235.14844	8.4
237.16331	6.7
239.17975	4.2
241.19456	4.2
245.13187	3.5
247.14932	3.6
249.16440	6.2
251.17868	3.9
253.19554	5.7
257.19052	2.8
259.20636	4.4
261.15982	2.5
263.18051	3.7
265.19601	5.7
267.21121	8.4
275.17883	4.6
276.31555	2.0
277.19531	3.5
279.21143	2.4
283.20459	2.4
285.22281	5.2
289.19540	3.1
291.21173	3.0
316.16519	2.2
327.07666	2.7
333.25803	3.5
337.25504	2.8
345.25897	3.3
359.27542	2.5
411.30475	2.4
429.31528	3.6
495.36157	3.3
533.41351	4.2
551.34363	3.8
551.42493	43.0
551.50842	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	551.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.2
55.05514	15.2
57.07079	9.3
58.26788	1.6
59.02725	1.9
65.03940	3.9
67.05505	29.7
69.03427	2.2
69.07074	17.8
69.76543	10.5
71.08629	2.8
79.05500	23.5
81.07058	46.7
83.04958	1.9
83.08616	10.8
85.06541	4.5
85.10178	2.3
91.05484	46.6
93.06482	3.8
93.07051	57.9
93.07643	3.7
95.04958	3.4
95.08613	45.6
97.10134	2.1
103.05457	3.3
105.04501	3.2
105.07040	79.3
107.08601	58.5
109.06507	3.0
109.10168	41.0
110.05405	2.0
115.05469	5.5
116.06201	2.6
117.07019	17.4
119.08587	100.0
121.10148	54.3
121.11031	2.2
123.11707	14.6
128.06233	6.1
129.07018	11.5
130.07808	5.3
131.08574	32.2
133.10138	62.1
135.11699	38.7
137.09612	3.5
141.07008	3.6
142.07780	14.1
143.08580	25.1
144.09331	5.9
145.10127	74.2
147.11707	23.9
149.09680	2.5
149.13284	5.4
153.07042	2.7
155.08571	10.8
156.09309	10.0
157.10144	41.2
158.10873	8.8
159.11714	39.8
161.13280	13.2
163.11160	2.5
163.14905	3.2
165.07010	3.9
166.07849	2.6
167.08583	5.2
168.09364	3.1
169.10165	16.7
170.10918	5.6
171.11717	24.1
172.12488	2.6
173.13275	28.7
175.14835	40.2
179.08585	6.2
180.09338	3.1
181.10141	13.5
182.10901	5.5
183.11713	19.6
185.13293	15.9
187.14856	14.2
189.16418	3.3
193.10167	8.2
194.10931	5.3
195.11697	9.7
196.12482	5.2
197.13237	19.8
199.14861	10.7
201.16402	13.9
206.10913	3.0
207.11685	6.2
208.12476	4.1
209.13310	12.0
211.14848	13.5
213.16428	6.9
219.17467	4.3
221.13268	9.4
222.14049	2.0
223.14853	11.5
225.16339	7.7
227.17999	3.6
231.11757	2.7
233.13254	6.4
235.14804	6.6
237.16396	6.5
238.17345	2.0
241.19530	3.8
245.13341	4.1
245.72511	2.0
247.14825	3.0
249.16362	3.5
251.17929	2.4
253.19530	4.7
261.16547	3.4
263.17950	4.9
265.19534	4.8
267.21146	6.1
275.18030	2.7
277.19388	4.1
279.21371	2.4
283.20654	4.1
285.22171	3.5
289.19696	1.9
291.21112	2.2
303.21313	2.5
317.22504	2.2
319.24417	2.2
333.25684	2.3
333.86777	1.7
345.25833	3.2
359.27405	2.3
411.30396	3.5
429.31296	3.4
477.35364	2.4
495.35934	4.3
533.41156	4.5
551.42505	40.4
551.50641	1.8
577.52612	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.7
55.05520	12.1
57.07075	8.1
63.98207	1.2
65.03935	4.1
67.05180	2.1
67.05511	27.6
69.07076	15.6
70.33463	1.2
71.29020	2.3
79.05501	22.5
81.07065	39.2
81.92292	1.2
83.05003	2.3
83.08613	7.4
85.06574	1.5
91.05488	36.0
93.07051	58.1
93.07642	2.9
95.04978	5.6
95.08614	44.1
97.06501	1.6
97.10162	1.6
97.91549	1.3
98.87489	1.2
100.49235	1.2
103.05475	4.7
105.07040	69.6
107.08603	55.4
109.06563	2.5
109.10167	39.1
109.30364	1.4
115.05488	3.2
116.06265	2.0
117.07018	17.8
119.08594	100.0
121.10155	50.6
123.08076	3.2
123.11725	12.4
128.06230	5.3
129.07005	10.3
130.07794	5.8
131.08580	32.7
132.09328	1.5
133.09109	2.9
133.10146	58.5
135.11697	34.3
137.09650	4.2
139.11183	1.5
141.07022	4.0
142.07802	13.3
143.08575	21.4
144.09377	6.9
145.10139	65.5
147.11711	21.9
149.09644	2.9
149.13290	6.6
153.07021	1.4
154.07820	2.2
155.08591	8.9
156.09360	10.3
157.10139	35.5
158.10921	5.8
159.11699	33.1
160.12367	1.7
161.13271	11.9
163.11244	2.7
163.14796	1.7
165.07001	3.9
167.08563	5.3
168.09361	1.8
169.10164	15.4
170.10934	6.4
171.11705	23.0
172.12494	1.9
173.13277	20.9
175.14841	38.6
177.16373	1.7
179.08589	6.0
180.09344	3.6
181.10208	7.6
182.10927	5.7
183.11734	14.6
184.12486	2.2
185.13264	14.0
187.14830	12.6
189.16414	2.6
192.09338	2.3
193.10156	5.5
193.15889	2.1
194.10942	4.4
195.11682	11.3
196.12485	4.6
197.13280	19.7
198.13983	1.9
199.14835	7.5
201.16426	12.9
205.10202	1.8
206.10902	3.5
207.11693	8.1
208.12511	4.5
209.13292	15.3
210.14009	2.3
211.14870	12.5
213.16432	5.8
215.17952	3.0
217.09933	1.4
218.10880	1.9
219.11639	2.6
219.17542	3.1
221.13330	7.3
222.14055	3.1
223.14792	8.3
224.15617	1.8
225.16431	6.8
226.17235	1.5
227.17947	3.2
231.11662	1.9
232.12599	1.4
233.13280	3.7
235.14833	5.6
237.16386	6.0
239.17986	4.1
241.19609	4.0
245.13351	2.2
246.13974	2.1
247.14954	3.0
249.16280	2.1
251.17987	4.4
253.19540	3.8
257.19073	1.8
259.20511	2.0
261.16394	5.0
263.17905	3.0
265.19565	3.2
267.21130	4.0
271.20743	2.3
277.19513	3.1
279.21136	4.0
283.20685	2.5
285.22107	3.4
287.18182	1.5
289.19662	1.6
291.21054	1.6
297.22159	1.4
311.24207	1.3
345.25723	3.0
411.30569	2.3
429.31839	2.4
459.35788	1.9
495.36273	3.0
533.41455	5.2
551.42566	34.9
552.42371	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16600	0.3
53.89441	0.3
55.05503	0.4
66.34419	0.3
67.05489	0.4
69.07073	0.5
69.92826	0.3
71.43922	0.3
71.50615	0.4
81.07072	0.7
91.05508	0.8
93.07060	0.5
95.08595	0.4
104.10728	0.6
105.07066	0.3
109.10215	0.3
111.42081	0.3
119.04941	0.7
121.10208	0.4
138.32440	0.3
147.04469	0.8
149.02406	1.7
175.04010	1.1
184.07365	0.6
193.04944	0.9
207.06551	3.7
259.08081	0.5
327.25269	0.6
331.09726	0.4
389.22986	3.3
446.30035	0.3
536.83044	0.3
551.28326	100.0
552.28387	1.8
565.24146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11598	0.7
61.00931	0.7
66.90627	0.7
67.35580	0.7
70.10426	1.4
70.10832	2.0
82.06213	0.8
82.06584	21.1
82.99856	1.1
96.84917	0.7
98.20900	0.9
100.02500	0.9
101.00883	4.2
106.42272	0.7
109.02853	0.7
113.00827	1.0
114.99672	0.7
118.03528	2.1
119.01907	3.6
126.88544	0.7
127.02403	1.1
128.14587	0.7
131.01875	1.3
133.03433	1.3
139.02357	0.9
141.10246	5.3
142.03543	3.9
143.01891	7.7
145.03477	2.8
154.07127	0.8
155.01970	4.0
156.05029	2.3
157.03439	2.2
160.04576	10.6
161.02945	4.6
167.01974	4.1
168.05046	1.6
170.06493	0.8
171.05099	0.9
172.04616	2.2
172.08165	1.7
173.02959	5.3
174.06152	9.2
179.01791	1.3
181.08286	1.9
182.06653	1.9
183.09761	4.5
185.02982	11.7
186.06137	1.6
187.04466	1.0
196.08223	1.4
197.03014	5.8
199.09293	1.2
201.10896	1.4
203.03842	1.3
208.08220	1.2
209.07593	5.4
215.04022	2.2
223.09338	4.8
224.58368	0.9
227.04005	3.1
227.08774	29.9
237.10738	0.8
243.08366	0.8
245.05141	27.6
245.09850	77.9
246.09993	1.2
249.10840	1.2
251.08763	3.0
260.39752	0.9
263.06195	3.0
269.09839	77.8
275.06152	2.5
281.09863	6.9
287.10892	100.0
288.11017	1.2
293.09885	3.4
299.10846	5.4
305.07013	2.0
305.10083	1.1
310.12643	1.1
311.10861	13.1
317.12067	4.3
323.10962	4.8
326.60739	0.8
329.11960	12.9
341.11893	1.7
353.11960	4.9
365.10489	5.1
371.13037	23.7
389.14075	13.0
431.14868	1.0
486.16202	0.8
551.19476	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	551.2831
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
51.33187	0.4
67.05505	0.7
69.23119	2.2
69.23542	1.9
78.21342	0.4
79.05485	0.5
80.10279	0.5
81.07078	0.7
81.79945	0.5
83.08594	0.5
86.09705	1.0
91.05502	0.6
95.08618	0.7
98.20800	0.8
141.44000	0.4
182.61978	0.4
184.07376	1.9
203.05203	0.6
259.08066	1.1
315.19327	0.5
319.15414	0.5
345.70169	0.4
389.23154	1.7
551.28314	100.0
552.28601	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1038
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03947	1.8
55.01875	1.4
57.03442	1.1
59.83218	0.2
61.02916	0.9
66.29784	0.2
68.99793	1.3
69.03434	6.1
70.06579	0.2
71.04990	0.8
71.06197	0.3
71.06560	0.5
72.74283	0.2
73.02919	1.3
75.07282	0.2
81.03424	8.0
84.04551	0.2
85.02908	11.9
86.00199	0.2
87.00314	0.3
87.00836	4.8
87.04470	0.2
87.85400	0.2
91.03929	0.5
93.03388	0.3
95.04945	0.4
97.02901	4.2
97.03517	0.4
99.04463	2.8
100.03383	0.2
105.01878	3.0
109.02891	6.6
111.00802	0.9
114.02623	0.2
117.01860	1.0
121.02888	0.5
127.03928	8.3
129.01857	1.1
135.04485	0.3
137.02342	3.4
137.03307	0.4
139.03850	0.3
145.04962	3.0
147.02867	0.5
147.04433	0.3
149.02333	0.4
153.00711	0.3
153.01839	3.4
155.04848	0.2
159.01692	0.4
159.02907	4.2
161.06039	0.3
163.03871	0.7
165.01846	2.0
166.02617	0.4
173.06003	0.3
183.02911	0.7
187.03841	0.4
195.02864	0.3
201.05464	1.9
213.03960	0.2
229.04955	4.4
231.05031	1.3
247.06195	0.7
257.04422	2.4
274.04739	1.0
275.05414	0.4
285.03931	1.3
294.12524	0.3
303.05008	100.0
304.05475	1.2
345.06073	0.4
476.87964	0.2
500.58328	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.0
55.01863	2.6
55.05511	6.8
57.03447	10.2
61.02919	6.8
67.05506	5.9
69.03436	29.4
69.07068	5.0
71.04993	4.3
71.51174	3.7
72.08147	2.2
73.02946	3.1
73.48344	2.1
77.75451	1.9
79.05490	9.0
79.92074	1.9
81.03419	12.2
81.03805	1.8
81.07051	15.0
83.04967	4.0
85.02909	77.0
85.06547	3.2
86.09708	2.9
87.04485	3.8
89.53492	1.9
91.03976	4.9
91.05470	19.9
93.07041	15.4
95.04981	7.5
95.08607	11.9
97.02898	26.9
99.04481	5.0
105.07037	64.6
107.04979	3.5
107.08612	11.7
109.02876	9.5
109.06528	8.1
109.10153	7.3
111.08079	3.9
117.06973	3.8
119.08587	61.0
120.08947	3.9
121.06508	8.1
121.10145	11.7
123.04398	3.5
123.08095	17.7
123.11720	2.2
125.06061	3.5
127.03947	17.5
131.08504	2.5
133.10095	14.0
134.10446	4.5
135.08057	13.4
135.11665	2.6
137.06020	2.5
137.09613	3.1
139.03889	2.9
141.05479	2.2
145.04970	22.5
145.10147	6.9
147.11694	88.7
148.12064	2.7
149.09581	10.6
151.03987	2.2
151.07535	10.8
151.11200	12.1
153.01848	7.1
161.13280	6.8
163.06009	3.1
163.11205	7.8
165.12764	74.5
165.14156	3.9
167.06999	2.5
171.11607	2.6
174.53679	2.1
175.14795	10.3
176.15138	10.6
177.12767	8.9
181.12355	1.9
189.12788	8.7
191.14323	2.3
207.13811	100.0
209.15379	5.0
225.14841	30.4
229.07133	2.8
271.11774	3.6
272.12167	4.0
301.07080	3.3
351.17911	5.8
352.18442	11.9
369.19153	10.6
371.56110	2.5
377.01276	3.9
387.20047	4.3
419.39468	2.0
466.01910	2.3
549.25262	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	548.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	33.0
67.05511	76.3
71.25861	44.7
71.26202	38.8
79.05492	84.9
81.07067	59.8
91.23215	27.2
93.07024	58.0
97.02845	31.7
105.07011	58.8
107.08606	64.5
112.51594	27.8
113.21888	28.5
117.07023	41.5
119.08618	61.7
121.06505	100.0
121.84691	29.6
133.10138	47.8
145.10081	61.5
199.72148	30.9
228.79292	34.0
235.81154	28.4
257.15424	31.8
284.12701	95.1
490.75861	31.0
548.29608	69.1
550.15338	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.1
55.05502	23.0
57.03453	34.8
61.02920	10.2
64.30544	5.8
67.05506	61.6
67.97002	5.5
68.45683	5.1
69.07061	17.4
69.96464	29.3
79.05497	60.9
81.07058	70.3
83.04971	7.9
83.08603	11.3
85.02922	11.7
91.05471	48.7
93.07041	89.0
95.04976	8.9
95.08618	56.3
97.02882	6.2
105.07021	45.2
107.08605	46.2
109.06469	7.0
109.10143	24.4
109.10842	5.3
111.08043	8.0
117.07014	14.0
119.08560	45.3
121.10142	37.7
125.09666	5.5
131.08569	24.5
133.10161	44.5
135.11737	33.1
143.08545	8.5
145.10100	26.1
147.11661	35.2
149.13251	16.3
157.10158	9.6
159.11710	24.2
161.13286	17.8
171.11652	9.3
173.13277	11.8
177.12704	6.8
185.13194	7.2
187.14787	10.8
200.32364	5.9
226.73268	6.3
241.19493	23.1
259.20602	53.8
269.17349	7.2
277.21609	30.3
351.25372	100.0
357.59384	6.1
499.61957	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	548.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	18.9
57.03444	26.2
57.42636	4.9
61.02927	5.4
67.05505	57.8
69.03426	5.0
69.07064	20.1
69.72123	25.9
69.94736	5.0
71.04995	6.4
72.38719	4.0
72.80254	4.5
76.50908	4.2
79.05498	60.3
81.03415	9.7
81.07064	69.0
83.04964	4.4
83.08607	9.8
85.02921	10.3
85.06551	8.0
91.05482	53.2
93.07046	76.0
95.04983	4.9
95.08621	56.8
97.02876	9.6
97.06554	6.0
105.07026	53.4
105.24183	4.3
107.04980	5.0
107.08604	45.4
109.06519	6.6
109.10174	26.3
111.08121	5.3
117.07024	17.6
119.08593	41.0
121.06518	8.7
121.10148	41.1
123.08102	5.6
123.11692	5.0
124.99184	4.2
131.08574	24.6
133.10149	44.1
135.11678	30.0
137.09572	7.6
143.08536	9.5
145.10106	25.5
147.11667	29.6
149.13258	16.2
157.10141	11.0
159.11731	21.2
161.13272	19.1
165.12839	8.8
171.11713	11.2
173.13248	10.8
175.14818	11.1
177.12886	5.7
185.13261	11.1
187.14824	16.7
199.14743	7.3
201.16344	7.1
205.15820	8.9
231.21303	6.9
238.28241	5.0
241.19493	16.4
259.20563	52.8
277.21646	42.6
325.61862	4.2
351.25320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49067	0.3
73.73309	0.3
75.39478	0.4
193.39435	0.3
259.99652	0.3
321.97690	0.3
363.16696	0.3
374.15421	0.4
375.16064	0.4
387.16266	0.7
388.16339	1.8
389.17276	1.3
390.18015	1.8
401.17673	0.8
402.18320	2.7
403.18954	4.3
404.19589	5.4
405.20456	0.5
415.15100	0.4
416.20056	1.7
417.15674	0.5
417.20987	3.2
418.21368	6.0
419.21887	2.5
430.17108	0.7
430.22006	0.6
431.17932	4.7
432.18329	6.2
432.23993	0.8
433.19849	0.5
433.24243	3.4
434.24307	14.1
444.19467	0.5
445.19376	2.2
446.20035	10.4
447.21030	4.6
459.21371	0.9
460.21628	4.9
461.22922	17.1
462.23758	13.4
473.23462	0.9
474.23691	4.0
475.24643	2.0
488.25140	0.6
489.26062	0.9
505.25610	0.8
515.55615	0.3
516.24713	0.5
518.22473	0.7
520.28107	2.6
533.25122	1.3
548.27423	100.0
549.27661	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16838	1.6
55.01877	4.0
55.05503	8.1
57.03433	5.7
59.05003	1.8
61.02922	8.5
67.05495	8.1
69.03437	17.0
69.07076	19.7
70.06598	18.2
70.75475	3.9
70.75852	3.6
73.02908	4.8
79.05482	4.9
79.14787	2.0
81.03412	4.5
81.07067	11.5
83.04981	22.4
85.02914	29.9
85.06538	5.0
89.06048	1.6
91.03953	6.6
91.05486	13.2
93.07037	9.4
95.01326	6.7
95.04969	8.6
95.08623	29.4
97.02911	10.6
97.06545	7.5
97.10162	12.4
99.04472	2.6
103.03957	3.4
104.34728	1.8
105.07036	24.1
105.90253	1.9
107.04984	4.8
107.08592	19.7
109.02885	4.1
109.06517	6.0
109.10173	17.3
111.08102	3.4
113.06058	2.2
117.07063	3.9
119.08586	57.5
121.06499	8.2
121.10143	24.0
123.04471	3.0
123.08092	9.5
123.10920	1.8
123.11665	9.4
125.06013	5.3
125.09618	3.1
127.03899	5.7
131.08563	6.5
133.10144	91.7
135.08005	10.2
135.11661	3.0
137.05992	4.9
137.09668	2.8
139.03899	8.2
141.01814	4.0
141.05487	2.3
143.03412	5.9
145.04979	4.5
145.10100	5.3
147.04431	3.9
147.08049	4.0
147.11699	35.7
149.05966	3.1
151.07558	2.5
153.01830	4.0
153.05469	6.8
153.09137	2.2
157.04977	5.5
159.06459	4.3
161.09662	2.7
161.13301	10.0
163.11240	2.1
165.09109	3.4
167.07083	9.3
170.59167	2.0
173.09558	2.5
173.13300	6.0
175.14844	100.0
176.15591	9.0
177.03963	7.0
177.05510	12.2
179.07056	6.0
180.08640	2.3
181.08696	2.0
183.06561	9.2
185.08099	6.1
185.13307	2.2
187.14784	2.8
193.08598	2.3
193.15910	10.2
198.62892	1.9
203.05481	9.6
203.14365	4.4
211.06038	11.5
211.09732	2.5
213.07610	3.5
215.05530	26.1
217.08511	2.9
225.07579	2.1
225.11227	6.4
227.14388	2.1
229.07085	29.6
231.08604	2.2
243.08623	7.8
244.01662	2.2
253.10773	6.3
255.13933	2.2
257.10269	11.5
271.11777	44.6
287.16595	2.3
305.17462	7.7
333.16739	2.6
351.18057	95.0
351.71539	1.9
352.18619	1.8
369.18835	4.0
386.21994	2.1
548.19098	8.5
548.27020	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01878	2.6
55.05513	28.8
57.03432	7.1
57.07080	5.3
65.03931	5.6
67.05505	92.1
67.12244	2.4
67.40404	2.3
68.05843	3.4
69.07072	23.4
69.32529	17.3
69.32946	3.0
70.92107	2.3
71.04999	6.3
71.08622	4.2
75.83893	2.3
76.88528	2.3
79.05061	4.8
79.05493	49.0
80.05837	2.6
81.03419	6.3
81.07059	100.0
82.07407	4.3
83.04982	7.2
83.08627	15.9
85.06549	4.6
91.05485	42.0
93.07048	57.7
95.04951	12.5
95.08608	66.9
97.06548	8.1
97.10189	6.6
99.08126	4.6
105.07034	33.6
107.04967	3.3
107.08604	30.5
109.06552	5.7
109.10155	30.4
111.08083	5.7
115.07504	2.4
117.07020	11.3
119.08593	31.6
121.10145	28.8
123.08101	4.1
123.11753	12.5
125.09575	2.9
129.06989	9.0
131.08578	22.1
133.10150	19.2
135.08044	4.1
135.11705	18.4
137.09615	2.9
137.13290	3.2
139.11169	2.4
143.08574	6.2
145.10144	15.7
147.11703	22.0
149.09602	4.0
149.13278	14.2
151.11230	3.5
157.10178	7.3
159.11720	12.5
161.13264	9.0
163.11203	4.8
163.14830	5.2
165.12772	3.9
169.10130	3.2
171.11676	6.0
173.13258	7.6
175.14874	2.9
177.12761	3.2
179.14328	2.6
183.11789	2.7
185.13220	2.9
187.14751	2.9
193.12273	4.0
195.13828	3.8
199.14836	4.5
201.16595	3.0
226.21158	2.3
227.12706	4.2
229.14549	3.0
261.22141	11.1
267.15924	9.2
269.17535	11.8
275.12054	2.2
275.20331	3.2
287.23633	4.0
301.25183	2.6
333.24164	2.8
335.25665	8.3
375.28735	2.6
379.92105	2.4
419.32855	2.8
437.34109	10.9
455.35025	9.6
473.36172	9.1
503.36661	3.9
511.37891	5.9
529.31537	4.9
529.38867	54.6
547.40234	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01872	9.4
55.05513	15.1
57.03443	9.8
57.07076	3.1
61.31570	1.4
65.03928	4.2
67.05509	68.4
69.03423	2.7
69.07073	20.2
70.02325	6.7
71.04995	8.5
77.03927	2.0
79.05497	49.4
81.03410	3.6
81.07063	71.3
83.04973	9.6
83.08604	8.4
85.06544	5.9
91.05487	74.7
93.07053	48.4
95.04970	7.1
95.08605	23.7
97.06548	7.5
97.10172	3.2
98.21156	3.7
99.04456	2.3
99.08090	1.9
103.05442	2.3
105.07037	75.6
107.04971	3.5
107.08601	46.8
109.06544	8.1
109.10159	65.5
113.06026	3.3
115.05465	2.3
117.07016	14.9
119.07797	3.0
119.08591	36.4
121.10148	15.5
123.08129	2.2
123.11723	10.6
125.09647	3.3
127.07588	2.5
128.06224	2.4
129.07001	6.9
131.08574	20.6
133.10135	100.0
135.08122	2.4
135.11690	19.5
137.09666	1.9
143.08553	8.7
145.10123	17.4
147.08063	2.1
147.11699	26.5
149.09630	4.2
149.13258	9.5
151.11192	39.1
157.10141	5.5
159.11697	12.4
161.09605	3.4
161.13268	26.1
163.11211	3.5
163.14816	3.8
169.10149	2.0
169.12247	9.4
171.11708	8.0
173.13275	8.4
175.14890	9.8
177.12807	1.8
179.10733	2.3
181.12244	2.1
183.11697	2.2
185.13263	7.2
187.14816	3.9
189.12787	2.1
189.16473	1.7
195.11664	1.6
197.13245	1.5
199.14896	3.9
213.16435	2.3
215.12843	4.0
215.17961	2.8
220.70985	1.4
221.13300	1.5
231.21069	4.3
241.19518	24.8
253.14359	59.7
255.15857	3.0
257.19049	3.5
259.20596	47.7
271.15430	40.5
275.20074	7.5
277.21710	6.1
299.61411	1.6
315.23276	5.7
333.24261	31.3
349.23740	2.3
351.25348	3.6
437.30417	3.7
455.31451	3.3
511.34097	6.4
529.35236	14.4
539.44836	1.6
547.36975	7.1
549.05304	1.5
569.28448	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.01866	5.5
55.05521	25.5
57.03434	10.2
61.02930	9.9
65.03922	6.0
67.05178	6.7
67.05510	82.4
68.05843	5.9
69.03452	4.9
69.07063	18.2
70.40140	4.4
70.82755	11.1
70.83075	5.9
71.04980	5.4
75.06882	4.7
79.05502	54.7
80.05805	5.3
81.03424	13.4
81.07059	93.7
82.07401	7.0
83.04988	9.6
83.08622	15.2
84.08961	4.6
85.02903	9.5
85.06561	7.9
87.04487	5.2
91.05480	41.6
93.07047	64.4
94.07382	7.3
95.04975	14.3
95.08610	56.3
96.08932	6.6
97.06544	10.3
97.10164	14.3
105.07034	34.9
106.07363	5.3
107.04967	10.1
107.08617	41.0
109.06532	11.5
109.10146	41.6
110.10475	6.7
113.06025	5.8
115.74831	5.2
117.07010	12.8
119.08562	22.2
120.08907	8.6
121.10136	29.5
123.11687	24.4
125.09650	6.0
131.08560	30.8
133.10168	24.4
135.08112	9.3
135.11665	31.6
136.12086	6.9
137.09601	4.9
137.13245	5.9
141.37486	4.5
145.10123	24.9
147.11693	15.6
149.13278	22.1
159.11716	19.7
161.13297	10.7
163.11267	5.0
163.14832	15.5
173.13277	16.2
175.14877	6.1
177.16458	6.1
187.14732	8.1
201.16370	5.4
233.22551	6.1
243.21062	27.5
247.02345	5.4
253.14351	5.3
261.22156	100.0
268.16339	4.8
273.18472	6.5
274.19089	5.6
292.19812	6.1
302.25497	7.0
307.02155	5.0
322.47772	5.4
335.25867	22.2
353.26852	39.0
472.34793	5.8
528.37555	16.4
546.38898	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.4
55.05511	16.3
57.03435	9.5
60.59884	8.8
67.05499	26.3
69.07067	24.3
69.35762	75.0
71.05050	10.7
75.12686	11.0
78.43775	8.9
79.05487	28.0
81.07061	48.5
83.04985	16.0
83.08617	11.0
91.05486	48.8
93.07054	21.1
95.08597	25.1
97.06508	12.9
105.07028	30.9
107.08585	19.1
109.06512	18.1
109.10136	12.5
119.08569	32.6
126.67404	9.8
129.17860	8.8
131.08589	11.2
133.10152	26.2
135.08035	11.1
137.60379	8.8
145.10114	15.4
159.11603	9.5
179.14378	13.1
224.44434	8.7
275.20096	17.8
313.25165	11.6
349.23764	100.0
374.30612	48.1
422.39938	8.9
511.28687	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	546.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
56.90919	0.4
57.03444	5.4
58.67948	0.4
59.05006	100.0
61.02945	0.5
66.44345	0.3
67.05500	0.7
69.03422	2.0
69.07074	1.0
70.06591	1.9
71.51825	0.7
72.08147	1.1
73.90396	0.4
74.09730	0.6
79.05508	0.7
81.03412	0.8
81.07051	2.4
84.08153	0.6
85.02911	3.4
86.09706	0.8
87.04463	0.9
89.06018	0.8
91.05463	1.3
93.07025	1.1
95.04907	0.5
95.08601	0.5
97.02895	1.4
97.06560	0.9
99.04462	0.5
99.08081	1.3
101.09676	0.9
103.74232	0.5
105.07024	1.7
107.08559	0.5
109.02856	0.6
109.06544	0.5
115.07571	1.6
117.09137	34.8
119.08572	1.0
120.08121	0.7
121.06479	1.0
121.10147	0.9
123.08086	0.5
123.11702	0.9
127.03954	0.7
127.97978	0.4
132.55965	0.5
135.10173	0.8
139.03894	0.9
147.11676	0.8
153.01797	1.0
163.03885	0.4
175.13306	17.2
193.14406	1.8
233.17436	4.8
251.18561	2.8
267.15991	1.1
285.17010	2.2
291.21671	0.8
309.22644	1.3
357.10773	0.8
367.26938	18.6
379.08292	0.9
389.13541	1.8
511.19016	0.5
546.19867	0.6
546.34058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
55.01870	3.8
55.05515	25.1
55.53048	3.2
57.03435	13.5
57.07066	5.8
58.43907	2.7
65.03948	3.8
67.05511	83.3
68.05843	7.5
69.07079	18.8
69.30750	17.7
69.31162	8.4
70.07423	3.8
78.83316	2.9
79.05504	49.4
80.05859	3.6
81.03430	8.6
81.07065	100.0
82.07374	9.3
83.04996	6.8
83.08627	14.6
85.02902	3.8
85.06554	6.8
85.11038	2.9
86.06430	3.0
86.43169	2.7
90.25405	2.7
91.05497	39.2
92.05840	5.2
93.07049	58.2
94.07365	6.8
94.14680	2.7
95.04987	10.3
95.08620	68.7
97.06559	3.4
97.10184	12.4
98.10560	2.9
99.08096	5.3
105.07037	26.7
107.04929	3.2
107.08604	35.0
109.06516	7.3
109.10156	37.1
111.08080	5.0
117.07037	8.8
119.08578	26.7
120.08967	4.8
121.06519	3.1
121.10172	37.3
121.30819	2.9
121.68932	3.1
123.08054	5.3
123.11723	20.8
125.09631	8.6
129.07033	6.7
131.08566	20.5
133.10161	17.6
135.08015	5.2
135.11691	23.1
136.12016	3.3
137.13272	8.6
141.01785	4.9
143.08511	4.2
145.10161	16.2
147.11732	15.3
148.12021	3.1
149.13274	13.1
156.59792	3.2
157.10153	4.8
159.11697	13.6
160.12010	3.9
161.13261	8.1
163.14813	11.1
173.13240	15.7
175.14874	6.1
177.16446	3.6
187.14880	8.7
198.13548	3.6
203.93927	2.8
243.21155	18.1
261.22153	72.0
267.16293	3.8
279.23148	4.0
291.19632	5.4
301.25101	3.7
302.25491	4.8
335.25931	19.8
340.85370	2.9
353.26971	19.8
454.33871	4.7
472.35129	4.9
528.37769	19.9
546.39050	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.6
55.05513	7.5
57.03426	5.6
57.07057	1.4
58.67606	1.3
65.03961	1.2
65.43111	1.3
66.90360	1.3
67.05504	13.2
69.07059	7.2
71.08623	5.9
71.51073	1.3
71.51425	1.4
71.99566	1.1
79.05496	9.3
81.03391	1.4
81.06651	1.7
81.07061	19.6
83.04975	2.6
83.08623	5.8
85.06544	1.7
91.05494	8.7
93.07054	11.7
95.04978	2.3
95.08611	12.0
97.06527	2.5
97.10165	1.7
98.98465	3.9
99.08071	2.3
105.07039	11.0
107.08614	10.0
109.06524	9.2
109.10132	8.2
111.08093	2.3
119.08580	10.1
121.10140	7.4
123.08066	16.2
123.11700	2.4
125.09639	2.0
131.08572	4.7
133.10147	11.7
135.08069	10.2
135.11684	4.7
137.09561	1.9
145.10100	4.6
147.11707	7.5
149.13217	2.8
157.10092	1.7
159.11703	2.7
161.09612	2.8
161.13261	2.1
162.52338	1.3
163.11128	1.8
165.12735	1.8
167.14278	2.4
171.11694	1.5
175.14792	8.2
177.12769	4.4
179.14314	25.0
193.15901	1.8
205.15916	3.8
250.55016	1.3
263.19974	3.4
267.16141	1.4
275.20007	1.9
276.06656	1.4
289.21579	5.8
293.21042	2.4
319.22668	2.0
331.04984	1.5
331.26312	10.5
349.27386	7.5
361.26938	1.4
374.30740	6.0
387.28864	6.3
405.30029	100.0
406.30212	3.8
485.26288	1.9
503.27524	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	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.1
55.01860	4.8
55.05273	2.5
55.05520	32.9
55.05779	2.0
57.03436	7.5
57.07087	2.9
59.04992	2.0
65.03934	2.3
67.05513	70.7
69.03400	3.7
69.07081	19.6
71.04993	3.7
79.05505	35.6
81.03416	21.7
81.07063	56.7
83.04984	5.5
83.08634	21.2
85.06536	2.4
91.05495	33.5
93.07061	40.0
95.04971	20.8
95.08613	45.9
97.06531	5.8
97.10176	20.2
103.05476	2.6
105.07044	34.3
107.04961	6.0
107.08608	33.1
108.34432	2.0
109.06517	5.5
109.10172	25.7
111.08115	6.0
115.05434	2.8
117.07029	14.2
119.08594	29.4
121.06531	10.9
121.10152	18.3
123.08095	5.0
123.11716	5.7
125.09612	13.0
129.07010	7.1
131.08589	23.0
133.10143	19.6
135.08060	6.3
135.11658	15.4
137.09633	5.5
141.06984	2.9
143.08542	9.8
145.10118	15.7
147.08054	5.4
147.11731	10.6
149.09656	4.6
149.13272	5.9
151.11243	2.8
153.09113	2.5
153.12753	2.0
155.08611	4.9
157.10135	12.2
159.11711	16.0
161.13278	6.5
163.11273	5.5
163.14816	2.4
169.10214	4.7
171.11742	6.2
173.13293	10.9
175.11203	3.6
175.14784	5.0
181.10141	3.2
183.11685	5.1
185.13309	5.0
187.13286	2.6
187.14868	5.4
189.11270	8.6
193.12233	9.3
197.13268	2.6
199.14914	3.9
201.16512	2.2
203.14406	2.5
205.20364	2.0
223.15060	2.7
227.12782	17.8
233.15443	2.4
235.16997	2.7
243.15921	2.0
243.21176	2.2
258.94196	2.3
261.22205	13.9
267.15973	22.5
277.21863	4.3
285.22308	4.5
301.25284	22.1
309.73752	2.0
317.24692	4.9
335.25894	15.7
351.01804	2.2
359.25955	3.6
395.95557	2.4
421.25906	3.0
435.27145	2.7
435.32785	7.8
453.33752	15.2
471.34683	10.9
475.30722	2.1
509.36539	2.9
527.37421	55.8
528.37518	2.6
545.38440	100.0
546.38678	4.9
560.57617	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
55.01873	3.1
55.05512	30.3
57.03426	3.8
57.07063	3.9
61.77323	1.6
63.11652	1.7
65.03935	4.3
65.04418	2.0
67.05509	73.3
69.07073	22.8
71.04978	4.0
71.08598	2.4
72.40498	2.0
79.05495	56.3
81.03435	3.1
81.07058	100.0
83.04997	6.2
83.08611	14.9
85.06546	4.8
91.05486	47.1
93.07049	57.4
95.04964	7.3
95.08606	50.5
97.06529	10.2
97.10167	6.2
99.08092	3.1
103.05484	2.3
105.07039	49.9
107.04989	2.4
107.07883	3.1
107.08601	40.6
109.06513	3.5
109.10165	20.4
111.08102	2.2
114.58693	1.8
117.07012	17.1
119.07806	2.9
119.08595	37.1
121.06521	3.5
121.10150	38.6
123.08093	5.8
123.11694	17.4
125.09620	3.3
127.07575	2.7
128.06302	2.2
129.07004	9.4
131.08582	29.5
133.10139	25.0
135.11723	15.7
137.09599	2.3
141.07039	2.2
143.08562	11.0
144.87692	2.0
145.10129	27.3
147.11700	47.7
149.09628	2.5
149.13268	9.1
151.11189	3.0
155.08617	7.5
157.10118	13.5
159.11688	16.9
161.13264	7.4
163.11227	3.5
163.14900	3.1
165.12747	18.8
167.08553	2.3
169.10181	6.8
171.11690	10.4
173.09735	2.0
173.13304	14.4
175.11313	3.6
175.14835	4.5
177.12984	2.4
181.10088	3.3
183.11787	6.4
183.13762	2.4
185.11887	2.1
185.13226	12.4
187.14877	7.6
195.11763	2.9
197.13338	4.9
199.14902	5.4
209.13290	5.2
211.14873	2.7
213.16530	3.8
229.14305	4.4
241.19592	4.3
259.20633	5.4
261.22253	12.1
267.15891	37.2
268.15781	2.3
269.17410	3.6
273.18652	2.4
273.22177	2.2
277.21790	4.8
301.21802	2.0
317.24887	3.5
333.24454	2.8
341.24918	2.9
417.31616	3.8
425.34390	4.4
435.32837	12.4
437.57248	2.1
438.76517	2.0
453.33499	23.4
453.39410	2.2
471.34604	14.9
501.36002	3.3
509.36609	4.2
517.38922	3.1
527.37292	60.3
528.38245	2.2
545.38416	76.0
546.39233	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	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48396	2.0
53.03943	7.4
55.01870	6.8
55.05513	42.1
57.03432	11.9
57.07070	4.0
65.03931	3.0
67.05509	77.1
69.03436	6.3
69.07074	17.7
70.76165	4.1
70.76511	2.3
71.04993	5.2
71.08634	3.0
75.62336	1.9
76.98818	2.1
79.05499	52.9
81.03426	23.5
81.06589	4.6
81.07065	72.6
83.04984	5.0
83.08624	23.6
85.06550	4.5
91.05492	41.9
93.07051	50.1
95.04980	22.2
95.08617	49.4
97.06516	5.5
97.10165	18.8
99.08116	3.8
105.07036	41.1
107.04959	6.3
107.08608	37.8
109.06514	10.7
109.10171	24.4
111.08074	3.7
113.09754	2.2
115.05462	2.2
117.07023	17.1
117.78613	1.8
119.08587	32.0
121.06490	9.6
121.10159	19.0
123.08107	6.5
123.11726	9.9
125.09644	19.5
129.07013	9.2
131.08568	30.4
133.06456	2.8
133.10150	23.5
135.08066	8.8
135.11714	15.8
137.09674	3.2
142.07797	3.6
143.08582	9.5
145.10121	18.4
147.08130	3.8
147.11719	13.7
149.09631	5.4
149.13290	8.5
151.11203	3.6
155.08565	4.6
157.10139	12.3
159.08101	3.1
159.11673	15.4
161.13240	9.6
163.11172	3.1
169.10175	6.8
171.10316	2.8
171.11726	6.1
173.13272	12.7
175.11205	3.5
175.14838	4.8
181.10214	2.2
183.11694	5.1
185.09641	2.7
185.13336	5.9
187.14886	4.7
189.11253	8.8
191.14436	3.0
193.12302	7.8
197.13309	4.5
199.14886	4.0
201.16486	2.6
211.13248	3.0
211.15012	2.6
213.16568	2.3
227.12759	13.6
233.15401	2.9
243.21175	3.2
247.16962	3.9
261.22186	15.7
267.15964	21.2
275.20166	3.4
277.21228	2.2
285.22162	4.1
287.20212	3.3
301.21747	3.0
301.25241	26.2
317.24664	2.5
335.25903	13.5
359.25964	4.4
394.47800	2.6
435.27509	2.5
435.33060	10.3
453.33728	14.9
471.34854	10.2
527.29169	2.4
527.37354	63.4
545.38434	100.0
546.39410	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	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52298	1.3
53.03945	5.7
55.01871	3.5
55.05274	1.6
55.05518	29.4
57.03435	6.5
57.07071	3.3
60.28340	1.6
65.03931	4.3
65.39974	1.5
67.05508	76.8
69.06736	1.7
69.07079	23.5
69.25863	12.7
71.04976	4.5
71.08625	3.4
74.59295	1.4
77.61404	1.6
77.67287	1.6
79.05500	56.7
81.03391	2.2
81.07063	100.0
83.04997	7.6
83.08631	15.4
85.06551	7.0
86.65461	1.5
90.49440	1.5
91.05489	53.5
93.07053	60.9
95.04996	9.0
95.08616	42.6
97.06557	9.2
97.10177	6.1
99.08083	3.2
105.04504	2.7
105.07037	54.8
107.04955	2.7
107.08601	34.6
109.06537	5.0
109.10158	17.7
111.08081	2.8
115.05481	1.5
117.07028	13.9
119.08594	38.9
121.06530	2.6
121.10152	31.8
123.07980	3.5
123.11693	17.6
125.09660	3.1
128.06299	3.8
129.07027	9.8
131.04881	1.4
131.08580	28.6
133.06494	1.9
133.10141	22.1
135.08009	2.4
135.11697	16.9
137.09581	1.7
137.13315	2.3
139.11134	1.6
141.07030	2.4
142.07784	1.8
143.08536	9.9
145.10143	18.3
147.11700	40.6
149.09673	2.7
149.13277	9.7
151.11240	2.3
155.08604	3.1
157.10156	9.8
159.11714	15.5
161.09647	1.9
161.13286	6.2
163.11185	2.3
163.14867	3.4
165.12784	16.8
169.10159	4.8
171.11739	8.0
173.13306	10.9
175.11241	3.1
175.14825	5.1
177.12804	2.1
181.10150	3.7
183.11731	5.3
183.13686	1.6
185.09595	1.7
185.13235	7.2
187.14827	3.6
193.12216	2.4
197.13281	3.1
199.14839	4.6
211.14848	2.0
213.16412	2.2
229.14276	2.9
237.16405	1.7
241.19603	3.1
243.21222	3.6
259.20657	8.7
261.22186	14.0
267.15915	32.9
269.17584	5.6
275.20255	1.6
277.21570	4.7
315.23099	2.0
317.24771	3.2
333.24423	5.8
351.09418	1.7
417.31448	2.1
435.32919	9.1
453.33691	13.6
471.34750	7.7
489.36127	2.1
501.35297	2.2
509.35843	2.9
517.39032	4.5
527.37354	36.1
545.38373	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41278	4.9
53.03946	9.9
53.98120	4.9
55.01872	12.7
55.05511	47.6
57.03434	21.7
61.02923	30.4
67.05508	42.5
69.03431	23.2
69.07066	24.4
71.04998	11.6
71.51908	5.6
73.02918	16.5
73.48747	6.0
74.25708	6.2
79.05496	43.0
81.03428	58.3
81.07063	45.0
83.04999	29.4
83.08620	18.6
85.02911	36.0
91.03960	10.1
91.05482	40.3
93.07037	28.3
95.04976	34.6
95.08607	22.6
97.02896	24.9
97.06510	8.3
97.10180	30.2
105.07062	29.0
107.04968	7.2
107.08593	22.5
109.02862	7.3
109.06525	5.9
109.10152	13.6
111.04444	11.0
111.08115	7.2
117.07045	10.7
119.08601	28.4
120.25652	6.3
121.06536	7.4
121.10154	12.8
123.08090	22.7
125.09640	21.9
127.03908	11.4
131.08585	18.5
133.06436	6.2
133.10143	10.9
137.09616	11.3
145.10167	5.9
147.08061	21.2
147.11702	12.7
149.09578	6.8
155.08578	7.4
161.09633	6.2
163.11136	6.7
165.09096	9.1
169.10124	7.3
175.11162	12.3
189.11192	17.9
193.12257	39.9
211.13271	41.5
223.13329	16.8
227.12842	11.8
273.18518	19.5
275.20273	7.2
285.16980	34.5
291.19580	100.0
365.23288	53.5
376.76587	6.1
383.24146	21.9
545.36078	7.2
548.21155	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	545.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03683	4.2
53.03948	9.0
55.01877	29.5
55.05513	37.0
57.03441	43.2
61.02931	26.5
62.33414	4.2
64.58431	4.0
65.03940	4.3
67.05502	50.4
69.03426	30.9
69.07071	100.0
71.05006	8.5
71.50836	4.9
73.02936	24.5
79.05501	32.4
81.03437	23.6
81.07059	49.5
83.04980	29.8
83.08635	10.8
85.02913	33.4
86.87222	4.7
87.04451	7.6
91.03962	10.7
91.05498	27.6
93.07050	29.4
95.04968	12.0
95.08608	28.2
97.02920	31.8
97.06545	17.4
97.10170	7.2
99.04476	9.9
99.08129	4.1
101.02409	6.5
101.06047	6.2
103.03961	5.9
105.07040	27.0
107.04941	7.2
107.08605	15.8
109.02885	4.8
109.06544	5.6
109.10169	18.9
111.08077	5.9
116.04707	12.6
117.07008	6.9
119.08568	17.0
121.10149	8.1
123.08099	4.9
125.09628	12.6
127.03926	10.2
129.05502	65.5
131.08588	12.8
133.10124	21.1
135.11644	9.8
137.09702	8.1
139.03909	8.8
143.07094	34.8
143.08200	6.0
145.10136	15.2
147.08002	6.9
147.11668	9.8
149.09612	19.5
157.08623	73.6
159.11755	7.6
161.09671	4.8
161.13217	6.0
163.11215	7.3
171.10144	13.0
179.14311	8.7
200.14093	20.4
229.14340	6.6
275.20071	24.9
291.19510	12.5
295.40271	4.9
338.23041	4.8
349.23706	13.5
383.24185	10.2
419.23050	6.3
436.27542	5.4
437.50449	5.7
486.80362	5.2
523.14917	5.3
545.29297	6.0
568.04779	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	544.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
62.10278	1.1
67.05495	1.7
68.05001	2.0
69.07076	1.4
70.06587	4.5
71.04998	1.4
71.51202	2.1
72.08147	1.6
81.07031	2.0
91.05483	1.7
93.07056	1.9
94.06518	1.6
97.02894	1.9
99.89304	1.3
105.07108	1.4
114.05493	1.8
117.66107	1.3
121.06503	4.4
122.06040	1.3
128.07065	1.2
130.01236	1.3
137.05984	2.5
138.05498	4.2
138.09193	1.5
139.03926	3.8
140.07114	3.5
146.06010	1.9
149.05960	1.7
153.01866	3.2
154.05022	1.6
166.05019	6.1
167.07007	2.2
174.05515	1.4
177.05540	3.7
180.88087	1.4
208.09825	2.5
209.10515	1.5
219.09229	2.0
222.09401	1.3
223.08691	2.7
224.09285	1.4
237.06648	1.3
237.10272	32.0
238.10930	1.7
239.08220	5.0
239.11906	3.3
249.10161	1.7
250.08788	3.0
251.08223	4.1
252.09019	2.3
253.09708	3.0
255.11263	2.5
265.09760	39.4
266.10394	3.7
267.07681	3.5
267.11331	9.4
279.07837	2.8
281.09143	3.7
283.10883	2.8
288.97595	1.4
293.09216	29.4
294.09985	2.4
295.10803	8.5
299.10275	4.5
311.10269	38.9
312.10938	2.7
313.11783	3.1
321.08743	14.6
325.12054	2.0
339.09790	59.9
340.10391	2.2
353.11359	11.3
359.20187	1.7
371.12408	100.0
372.13022	2.2
403.14893	4.9
452.18292	3.2
480.17712	43.6
512.20496	5.9
544.22217	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99619	10.0
55.05516	11.2
57.03435	24.8
57.33289	9.6
67.05501	32.7
69.07066	20.4
69.34863	67.4
71.04994	12.2
79.05502	36.6
81.07050	27.6
85.02927	15.5
85.06544	19.2
91.05470	36.3
93.07047	35.4
95.04975	63.2
95.08615	28.8
97.93159	9.9
98.21551	20.6
99.39812	9.8
102.91510	9.9
105.07043	19.3
107.04928	13.4
107.08600	37.8
109.06516	67.3
109.10147	20.6
111.08120	10.1
112.30381	9.9
113.06033	77.2
117.07053	15.0
119.08577	25.0
121.10081	11.0
129.06993	10.1
131.08548	18.2
133.10155	20.7
135.08049	36.1
139.03915	17.2
145.10074	16.8
145.13705	10.2
149.09654	12.1
157.10020	12.5
216.80438	9.7
217.15866	13.4
255.21756	10.4
270.75119	10.6
273.18448	30.3
291.19629	78.8
347.22165	12.7
365.23178	100.0
370.50330	12.9
440.45273	10.5
489.52585	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01871	5.1
55.05515	65.5
57.03441	39.8
57.07080	65.1
65.03949	2.9
67.05508	74.5
69.07073	92.3
70.75537	3.5
70.75909	3.2
71.04991	4.5
71.08640	44.0
71.95625	1.9
75.04484	11.7
79.05498	30.8
81.07062	100.0
83.04984	7.3
83.08621	62.6
85.06537	5.3
85.10192	25.9
89.06034	2.4
91.05493	21.2
93.07044	50.1
95.04999	2.5
95.08611	94.6
97.06543	21.5
97.10178	44.7
99.08081	2.3
99.11726	2.4
101.06012	2.3
105.07033	14.9
107.04993	2.6
107.08611	28.5
109.10167	43.3
111.08102	12.7
111.11741	14.6
113.06010	3.6
113.13314	2.2
117.07021	5.6
119.08601	8.1
121.10153	36.9
123.11713	21.5
125.09640	10.5
125.13306	5.4
129.09160	2.2
130.17818	1.7
131.07088	8.9
131.08582	7.4
133.10144	7.7
135.11697	24.2
137.13243	9.0
139.11220	9.5
145.10139	5.2
147.11687	2.8
149.13252	19.3
151.14900	4.0
153.12794	7.0
157.12180	3.0
159.11697	3.1
161.13263	4.0
163.14868	9.8
165.16400	2.2
167.14348	3.9
171.11691	2.1
171.13870	2.5
177.16431	6.0
179.14313	2.2
181.12267	2.2
181.15872	4.4
185.15317	2.4
191.17990	4.0
195.17461	4.4
199.14856	2.0
205.19444	2.7
219.21066	2.8
223.20708	3.0
237.22122	2.0
251.23756	3.0
275.20209	10.2
331.33725	6.4
349.34686	17.2
359.33228	18.6
377.34167	53.1
384.24194	1.8
395.35278	3.8
413.36252	60.0
413.78177	2.0
415.72156	1.9
420.75644	1.8
450.80734	1.7
451.31870	3.0
451.37875	48.8
469.32394	3.9
469.38934	74.6
469.45532	4.2
525.35651	2.4
525.41699	24.4
543.43060	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01870	0.5
55.05514	0.7
55.69881	0.2
57.03438	0.5
57.07083	0.5
61.02923	0.6
62.66633	0.1
67.05511	0.4
69.03441	1.5
69.07079	1.2
69.83179	0.9
70.04084	100.0
71.04409	0.3
71.05004	0.3
73.02919	0.4
79.05505	0.2
79.54739	0.2
80.98265	0.2
81.03426	1.6
81.07082	0.5
83.08630	0.5
85.02914	3.8
87.00841	1.7
89.06044	0.4
91.05490	0.2
93.07082	0.2
95.04985	0.3
95.08639	0.2
97.02897	2.4
98.20785	0.2
99.04481	0.6
99.08082	1.1
105.01851	1.6
105.07059	0.3
109.02904	2.0
115.03987	0.5
120.61172	0.2
127.03928	2.6
129.01877	0.3
133.08614	0.4
145.04955	1.0
145.10193	0.2
159.02951	0.7
183.10213	0.3
211.08881	0.2
225.11319	0.4
227.08408	0.5
231.05133	0.6
278.66473	0.2
528.41510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
54.23940	0.2
54.81671	0.2
55.01872	0.6
55.05507	0.4
56.96252	0.3
57.03435	0.5
61.02915	0.4
62.73165	0.3
67.05526	0.4
69.03436	1.3
70.04079	100.0
70.66731	0.8
71.04990	0.3
73.02924	0.6
81.03436	1.8
81.07061	0.5
85.02908	3.3
86.09701	0.4
87.00838	1.7
87.04465	0.3
93.07040	0.4
95.08561	0.4
97.02898	1.4
97.06535	0.3
99.04446	0.8
99.08109	1.2
101.68662	0.3
105.01862	1.3
109.02872	1.7
114.56784	0.3
116.95292	0.3
118.81422	0.3
127.03941	2.4
145.04993	1.2
159.02960	0.7
183.10173	0.3
195.10225	0.3
213.14246	0.3
225.11255	0.6
227.08359	0.5
231.05049	0.5
254.79692	0.3
566.37097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
53.37194	0.6
58.42064	0.7
62.11539	0.7
67.05517	1.1
69.07031	0.6
70.06600	4.0
70.64864	2.0
73.02850	0.7
75.04466	3.6
79.05496	2.2
81.03429	1.2
85.02898	1.7
86.09713	1.9
87.00898	0.8
90.84989	0.7
91.05479	1.5
91.46116	0.7
95.08615	1.1
97.02874	0.8
98.06050	2.6
103.05486	1.6
105.07034	21.6
107.08688	0.6
109.02883	0.9
117.05773	1.3
119.08554	1.5
121.06534	0.7
123.08081	2.6
127.03935	0.9
128.07175	0.7
130.06500	0.9
130.08652	3.6
131.07317	17.6
132.08099	16.2
133.07623	2.2
134.09642	1.0
144.08046	3.4
145.08871	5.7
146.09657	100.0
147.10027	1.2
153.01816	1.4
158.09656	10.1
159.10497	1.1
160.07634	5.3
160.11226	39.7
161.08372	0.9
162.09143	0.8
162.12750	0.9
163.03914	0.8
172.07640	1.8
175.09993	1.0
183.15068	0.9
187.09956	0.9
188.10706	4.8
190.12291	3.3
192.10201	18.0
192.13844	2.5
206.11766	1.2
211.14243	0.6
217.32001	0.7
218.11801	5.6
220.13315	2.8
221.09346	0.7
236.12828	3.8
246.11263	3.3
248.12735	1.7
250.14417	12.4
255.59288	0.7
264.12341	14.6
278.13879	75.1
279.14322	1.3
296.11835	0.9
296.14990	12.9
345.83478	0.8
403.15173	0.7
558.28351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	9.7
55.01882	14.5
55.05515	31.0
57.03436	6.4
57.07078	6.0
65.03938	5.5
67.05511	79.6
69.03443	2.0
69.07076	42.6
69.16414	1.7
70.76411	4.1
71.04970	2.9
71.08661	3.2
79.05498	62.8
81.03425	9.0
81.07066	100.0
83.04984	10.6
83.08630	17.8
85.06557	6.6
86.92224	1.6
90.68559	1.8
91.04910	2.4
91.05489	63.7
93.07053	64.7
95.01334	8.2
95.04978	11.8
95.08618	49.8
95.09237	2.2
97.06546	25.7
97.10174	7.2
99.08134	2.2
104.97930	1.8
105.04547	3.0
105.07040	70.9
107.04967	19.3
107.08601	37.9
109.06520	5.8
109.10184	14.6
111.08115	6.6
113.09686	2.3
115.05416	2.1
116.06219	2.3
117.07027	23.6
117.79573	1.7
119.08591	35.1
121.06522	5.4
121.10151	21.9
123.08061	5.7
123.11732	5.2
125.09628	3.7
128.06226	2.3
129.07008	6.3
131.08585	34.5
131.66560	1.6
133.10138	38.3
135.08049	7.7
135.11688	12.2
137.09636	3.2
141.06985	4.3
142.07843	1.9
143.08577	8.6
145.06490	3.3
145.10146	24.7
147.11690	21.2
149.09625	10.9
149.13287	16.2
151.11223	2.1
155.08575	6.1
157.10139	10.6
159.11700	25.7
161.13292	6.8
163.11188	6.7
165.09109	2.5
169.10143	8.1
171.11742	6.7
173.09595	2.6
173.13274	10.0
177.12790	7.8
179.14301	16.5
181.10077	1.8
183.11731	6.2
185.13290	6.5
187.11240	4.2
187.14792	3.1
191.10583	2.0
193.12157	1.8
195.11838	3.6
195.13853	5.6
197.13318	4.0
211.14847	3.1
223.14891	1.9
239.17909	3.2
243.30984	1.9
247.20593	3.6
251.16364	2.1
257.19049	13.3
269.17535	2.4
275.20081	78.3
293.21225	5.3
299.23703	2.6
315.23428	2.5
359.78375	2.0
377.30441	2.2
423.32748	2.5
431.27759	2.5
433.31302	4.9
451.32428	8.4
469.33286	6.5
487.34335	2.6
525.36182	18.3
543.36859	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.1
53.03950	9.0
55.01876	17.8
55.05515	27.8
57.03431	6.6
57.07067	4.4
59.04999	1.1
63.00688	1.0
65.03938	5.9
67.05507	77.7
69.03434	1.8
69.07071	42.7
71.01356	1.1
71.04981	4.0
71.08634	2.7
77.03903	2.1
79.05495	62.9
81.03428	10.7
81.07060	100.0
83.04987	11.3
83.08626	15.6
85.06543	3.3
85.10140	1.3
89.06039	1.7
91.05486	70.9
93.07048	62.5
95.01330	12.1
95.04980	14.6
95.08612	42.2
97.06536	31.7
97.10182	5.0
99.08095	3.3
103.05472	1.5
105.03412	1.1
105.04511	3.0
105.07036	76.4
107.04964	23.3
107.08595	33.0
109.06512	6.0
109.10152	10.2
111.04438	1.4
111.08089	5.9
113.09660	1.3
115.05459	2.4
117.07024	17.9
119.06125	1.3
119.08596	33.5
121.06541	5.6
121.10151	16.6
123.04427	2.9
123.08079	3.8
123.11725	4.7
125.09634	3.4
129.07014	5.6
131.08575	26.6
133.10136	39.9
135.08078	5.1
135.11705	10.7
137.09624	1.5
141.07027	2.1
143.08563	3.3
145.06555	2.4
145.10133	21.0
147.08063	2.1
147.11684	19.4
149.09622	7.8
149.13275	14.9
155.08519	1.9
157.10153	4.7
159.08098	1.8
159.11693	19.9
161.13237	6.7
163.11201	4.8
165.09138	2.7
165.12779	2.2
165.35933	1.4
169.10165	3.1
171.11703	4.1
172.44269	1.1
173.09633	1.5
173.13322	5.6
175.11179	1.4
177.12721	5.7
179.14314	19.7
183.11653	3.8
185.13261	2.2
187.11247	2.9
187.14842	1.7
189.12761	1.1
193.12228	1.9
195.13840	3.1
197.13298	3.1
205.12384	1.8
211.14822	1.3
229.19586	2.1
233.18956	1.3
239.18021	3.1
247.20633	2.9
251.16525	2.4
257.19003	8.8
275.20074	97.0
276.20462	1.7
279.15952	1.2
281.16962	1.3
282.56912	1.2
293.18240	1.2
293.20978	6.7
313.11969	1.3
349.23727	3.4
412.19086	1.3
449.65756	1.1
525.35895	3.0
543.18951	1.8
543.36774	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11643	1.5
51.02374	1.7
52.27837	1.4
53.03951	6.8
55.01869	12.7
55.05516	28.4
57.03448	7.7
57.07075	2.9
59.04988	2.0
65.03937	3.1
67.05508	74.2
69.03413	1.5
69.07076	42.8
71.04999	3.2
73.90117	1.4
77.03913	1.6
78.53777	1.5
79.05499	60.4
79.05968	3.0
81.03414	5.1
81.07063	87.9
83.04985	8.6
83.08614	16.0
85.06570	3.3
85.49078	1.3
89.06021	4.2
91.05488	52.8
93.07053	63.0
93.07642	3.3
95.04971	10.8
95.08617	36.8
97.06541	18.8
97.10182	10.4
99.08076	1.8
103.05490	2.0
105.04583	1.9
105.07038	47.0
107.04961	8.5
107.08600	40.2
109.06500	7.2
109.09551	1.8
109.10173	16.3
111.08076	7.3
113.09639	1.9
115.05466	3.3
117.07030	22.7
118.19170	1.4
119.08589	31.6
121.06538	4.4
121.10147	20.3
123.08063	3.2
123.11695	5.6
125.09626	6.8
128.06235	3.4
129.06995	12.3
130.07782	1.9
131.08575	32.3
133.06485	3.4
133.08607	3.3
133.10135	29.6
135.08038	7.7
135.11694	11.1
137.09669	3.5
141.07019	4.0
142.07787	3.0
143.08582	9.9
145.06474	2.3
145.10127	24.3
147.08075	2.4
147.11696	17.6
148.59850	1.4
149.09633	13.5
149.13258	17.1
151.11153	3.1
155.08560	7.0
157.10129	13.8
159.08145	2.0
159.11711	25.6
161.09621	3.6
161.13260	7.0
163.11185	11.2
165.12793	2.8
167.08600	3.1
169.10126	9.6
171.11734	11.5
173.09677	1.7
173.13278	8.9
175.11237	3.0
177.12784	5.9
179.14346	7.1
181.10146	4.6
183.11711	8.3
185.13271	4.8
187.11180	3.6
187.14870	2.5
189.11212	2.4
195.11752	3.1
195.13783	4.4
197.13313	8.0
199.14803	4.4
201.12770	2.9
209.13309	3.4
211.14828	2.7
213.16402	2.1
215.14297	1.6
221.13261	2.0
223.14861	2.2
223.58566	1.4
225.16449	2.0
227.12704	2.4
229.19487	3.1
239.18048	3.8
247.20686	2.2
257.19006	15.9
259.20428	2.0
260.10471	1.4
267.15768	1.6
269.17569	4.1
273.18582	2.1
275.20078	47.7
293.21127	4.5
297.22086	2.0
299.23627	2.4
301.21609	1.7
313.21844	2.4
330.67648	1.5
331.22552	1.9
339.23199	3.0
349.23624	2.4
357.24414	2.2
410.58636	1.6
415.30038	2.1
423.32562	3.2
431.27780	4.1
433.31015	9.4
451.32166	12.2
469.33069	10.7
487.33850	1.9
507.34744	2.2
514.19537	1.4
515.37482	2.6
525.35803	19.5
543.36823	100.0
544.37183	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.0
53.25593	3.4
53.80788	3.2
55.01870	30.9
55.05515	28.8
57.03442	41.0
57.07070	4.7
59.05000	3.8
61.02654	5.0
61.02932	57.0
65.03934	6.3
67.05508	87.3
69.03433	28.1
69.07080	23.8
69.08355	2.9
69.21385	8.2
69.21786	31.8
70.04082	39.5
71.01334	6.1
71.04986	11.5
73.02929	26.6
78.27279	3.1
79.05074	4.4
79.05501	73.0
81.03418	48.0
81.07059	67.0
83.01340	6.1
83.04990	34.2
83.08630	11.8
83.09137	3.0
84.02105	4.6
85.02904	56.2
85.06540	11.9
87.04456	4.3
91.03948	24.2
91.05486	80.3
93.07044	58.3
95.04374	4.9
95.04971	75.0
95.08620	39.9
96.05737	3.9
97.02892	53.6
97.06525	11.2
97.10188	4.5
98.07326	4.1
99.04449	9.3
101.02391	9.3
103.05486	5.1
105.04518	3.9
105.07027	64.9
107.04958	100.0
107.08603	30.1
108.05727	6.0
109.02894	12.3
109.06525	42.1
109.10155	15.7
110.07300	5.3
111.04453	15.9
111.08089	7.0
112.05235	11.0
113.06014	17.3
115.05443	12.1
117.07024	30.1
119.04931	11.1
119.08584	34.2
121.06508	26.4
121.10127	23.7
122.07275	25.3
123.04420	15.5
123.08102	9.0
123.11694	4.3
125.05967	8.0
125.09713	4.7
127.03909	25.0
128.06209	8.6
129.05498	6.3
129.07005	15.1
131.04967	5.8
131.08569	42.7
133.06483	34.6
133.10103	19.1
135.08095	19.2
135.11688	11.1
137.09576	5.5
141.06990	10.0
143.08536	20.0
145.05005	4.0
145.06500	20.2
145.10123	23.8
147.08066	50.0
147.11710	7.8
148.08849	6.6
149.02368	4.3
149.09615	12.0
149.13292	4.8
151.07558	5.3
151.11229	4.6
153.01836	3.8
155.08556	6.8
157.10152	8.5
159.08067	8.8
159.11667	16.7
161.09607	23.8
161.13377	4.7
162.10442	6.1
163.11195	13.9
163.14664	4.1
165.09090	8.3
169.10066	6.0
171.11678	11.0
173.13243	6.9
175.11157	6.0
177.12755	11.5
181.12187	3.2
185.13223	7.9
187.11259	9.5
187.14914	6.2
189.12753	3.8
191.48845	3.8
197.13278	8.2
205.15878	7.6
215.14345	12.5
233.15396	46.2
236.78607	3.1
239.16447	4.8
251.16487	13.4
261.14929	10.1
273.18484	16.3
275.19827	4.5
290.18787	23.3
291.19534	7.0
307.19022	17.2
335.18561	35.3
364.21902	3.6
381.22620	42.3
381.85971	3.4
443.20541	4.8
464.02322	3.8
525.26917	4.3
533.78705	4.0
543.28229	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
53.80375	1.3
55.01873	6.4
55.05515	16.3
55.87080	1.2
57.03441	2.9
57.07058	2.7
58.99595	2.0
65.03940	2.8
67.05511	33.5
69.03440	2.7
69.07077	13.6
69.94440	1.6
69.94731	6.3
70.04079	7.1
70.78814	1.1
71.04987	3.6
76.02238	3.7
78.83768	1.2
79.05500	29.8
81.03438	3.0
81.07063	69.9
82.06633	1.4
83.04981	6.7
83.08621	12.7
83.15614	1.2
84.04508	25.4
85.01122	3.0
85.06563	1.9
88.04005	3.3
91.05490	27.0
91.98512	1.3
93.07053	27.6
95.04964	14.1
95.08611	26.2
97.06532	4.4
97.10193	2.0
99.08096	3.4
105.07041	31.1
107.04977	10.3
107.08594	18.0
109.06526	23.7
109.10143	10.6
111.08070	3.3
113.04251	2.2
117.07029	9.5
119.08601	27.7
121.06524	8.4
121.10155	14.4
122.02744	6.0
123.08061	6.5
123.11682	7.0
125.09635	1.8
125.63205	1.4
129.06984	1.8
130.05019	5.8
131.08575	15.3
133.06575	2.8
133.10144	18.8
135.08112	6.7
135.11693	7.0
137.04085	1.3
137.09622	3.8
141.84570	1.6
142.03264	2.1
143.08531	1.8
144.58260	1.4
145.06552	1.8
145.10141	11.5
147.08023	2.3
147.11696	19.1
149.02361	5.9
149.09647	7.2
149.13292	9.9
151.11157	4.3
155.08624	2.4
157.10155	5.0
159.07982	1.8
159.11699	12.5
161.09659	4.4
161.13301	3.9
163.11168	8.3
163.14838	3.7
165.12790	5.3
171.11708	3.2
173.09647	2.9
173.13249	6.5
175.11203	4.3
175.14825	1.6
177.12805	2.5
183.11784	2.3
187.11203	1.8
187.14888	1.9
188.03709	1.2
189.12836	1.4
191.14360	2.1
193.12263	3.0
195.10176	1.3
205.15942	1.9
207.13832	1.4
213.08188	3.5
229.19508	3.7
231.04414	1.9
234.04372	1.9
239.17871	2.7
247.20631	5.8
251.07065	3.8
257.18951	8.4
275.20087	100.0
276.20560	1.6
282.15143	2.1
293.21146	18.9
307.17157	1.8
325.18625	2.0
327.15091	2.7
333.18628	2.2
350.21497	5.3
351.20041	2.8
354.21298	1.4
368.22601	4.0
378.21152	3.4
379.19366	1.5
382.42792	1.5
396.22083	46.0
414.23065	31.2
416.22653	3.4
434.23615	3.8
525.26306	5.8
526.24060	1.7
543.27313	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	543.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.5
63.59883	0.6
65.03922	0.8
69.03425	1.1
69.38843	3.1
69.39264	1.2
70.06569	2.0
72.08157	13.9
74.12607	0.5
81.03405	1.1
84.08161	0.8
85.02914	3.3
86.58130	0.5
87.00808	1.0
89.10370	0.6
89.10802	7.5
91.05482	18.9
97.02921	0.6
98.06039	1.1
98.21474	1.0
99.04426	0.9
102.22236	0.6
105.01889	0.7
105.03406	1.1
109.02859	1.6
114.09153	0.9
115.08690	1.9
118.04117	0.6
118.39298	0.6
119.04945	32.5
121.06493	0.6
123.68133	0.5
125.36098	0.6
127.03913	1.6
129.03345	0.7
132.02090	1.3
136.05128	0.7
137.05937	1.1
139.03943	0.7
146.03590	1.5
147.04414	30.7
153.01822	6.7
157.03976	3.8
174.03073	1.2
175.03917	55.3
179.07013	1.9
192.04173	3.6
205.04884	0.8
207.06534	100.0
207.36179	0.6
208.06873	0.9
214.94617	0.6
240.12172	0.7
278.13928	5.1
295.16531	67.6
296.16904	0.9
301.13858	1.0
327.05060	0.6
385.17694	1.3
457.21814	2.9
499.23114	1.2
543.21875	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01859	3.3
55.05508	9.4
56.05029	3.4
57.03413	1.8
57.07070	2.3
58.99579	8.2
67.05505	22.8
68.48474	1.0
69.03423	1.6
69.06730	1.3
69.07074	14.4
69.46143	3.6
69.46568	4.6
70.04075	3.5
71.04990	1.5
76.02233	17.0
79.05080	1.4
79.05495	13.8
80.05003	1.2
80.56133	1.0
81.03419	1.6
81.07063	26.0
83.04975	6.7
83.08613	3.5
84.04507	67.1
85.02890	2.7
85.06535	2.0
86.99046	5.0
91.05485	17.3
93.07053	21.7
95.04962	7.9
95.08622	15.9
97.06553	2.8
97.10156	1.5
98.20712	1.0
99.08080	1.2
102.05536	3.2
105.00084	6.4
105.06391	2.0
105.07038	22.1
107.04955	5.8
107.08604	15.0
109.06533	11.6
109.10163	8.5
111.08099	1.7
112.71010	1.1
115.05393	1.0
117.07016	6.4
119.08591	12.1
121.06512	10.4
121.10139	9.2
122.02736	78.6
123.08052	4.4
123.11716	3.2
127.03926	1.2
129.06984	2.3
130.05020	24.3
131.08566	13.2
133.06519	3.2
133.10135	16.3
135.08044	6.4
135.11726	6.0
137.09602	2.2
141.06906	1.0
142.03221	11.9
143.08557	2.9
144.04756	3.4
145.10107	13.9
147.08047	4.4
147.11702	12.1
147.48488	1.0
149.09641	5.7
149.13248	2.8
151.11201	4.1
155.08495	1.8
157.10149	2.8
159.08133	2.7
159.11682	8.6
161.09656	3.2
161.13242	3.5
163.11176	5.8
165.12743	1.3
169.10139	2.6
171.11713	2.9
173.09570	2.0
173.11969	1.3
173.13217	5.2
175.11217	2.6
177.12674	2.4
187.05380	1.2
187.11237	2.2
187.14868	1.2
188.03795	9.7
189.12781	1.8
190.05327	1.5
191.14325	3.6
197.13396	2.0
201.12788	2.5
207.13858	7.3
211.14749	1.2
213.16312	1.4
215.14403	1.3
217.08279	1.2
219.13805	3.2
220.24062	1.1
229.19534	2.2
231.17340	1.5
233.05852	5.2
234.04312	14.9
239.17978	4.1
247.20554	1.3
251.06976	85.3
253.79623	1.1
257.19016	10.0
273.18579	2.3
275.20071	100.0
276.20428	2.0
291.19363	1.4
293.21130	72.8
294.21408	1.8
363.21402	1.6
434.23630	1.3
525.25708	2.7
543.27057	25.8
559.02155	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58844	0.4
71.08636	1.1
71.50238	0.4
79.05489	1.1
85.02881	0.4
88.11280	4.8
91.05489	1.5
93.07061	1.9
97.02899	0.5
98.21545	0.4
103.05469	6.5
107.04961	1.8
109.45866	0.5
116.20107	0.4
119.04965	1.0
120.08118	100.0
121.06516	13.1
121.08447	1.3
127.03940	0.5
130.08633	0.5
131.04936	1.6
136.06180	2.5
137.05995	1.6
139.03943	0.6
143.92609	0.5
147.04422	2.0
149.06003	1.6
153.01848	1.7
166.08656	46.5
167.07021	1.3
173.03563	0.5
179.07057	2.3
180.39760	0.4
244.72679	0.5
257.04407	0.5
272.05673	0.7
273.07718	0.8
287.05484	0.7
290.10303	2.8
297.40213	0.5
300.05124	0.8
370.20432	0.5
484.47766	0.5
511.96997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.05511	5.5
57.03444	1.1
57.07078	85.6
59.05003	18.7
61.00385	0.9
65.03913	1.1
65.19849	0.9
66.84958	0.8
67.05510	5.6
68.32208	0.8
69.07077	5.6
71.08633	83.5
73.06557	1.5
79.05495	5.4
81.07066	6.5
82.29343	0.8
83.08628	3.4
85.10186	74.1
85.86664	0.9
87.04469	6.6
89.06036	100.0
91.05481	3.4
93.07072	4.5
95.04988	1.5
95.08601	2.9
97.06565	1.3
97.10176	1.7
98.21493	2.8
99.11742	8.3
102.72925	1.0
103.07584	7.4
103.27374	0.9
105.07029	3.5
107.04963	1.3
107.07058	1.8
107.08587	2.6
109.10127	1.0
117.07008	1.7
117.09138	1.5
119.08572	2.0
121.10127	1.1
125.13335	1.0
130.08676	1.2
131.07043	5.5
131.08585	2.3
133.08609	80.9
135.11649	1.1
141.16385	8.0
143.08549	1.3
145.10139	1.7
147.11697	1.7
155.08595	1.0
159.11707	1.1
161.13225	1.3
175.09688	3.3
177.11238	30.4
199.20599	9.0
206.87328	0.9
219.12540	1.0
221.13841	6.5
227.12901	1.2
239.14978	2.4
243.23198	4.4
271.90311	0.9
275.20184	2.0
283.17587	4.4
309.19107	1.9
327.20126	23.5
367.23248	2.3
371.22763	2.1
525.39648	3.3
542.39514	4.2
542.53992	1.1
543.37079	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	542.214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.05496	2.0
59.86484	1.5
67.05500	4.1
69.03430	1.9
69.07057	3.9
69.34986	8.4
70.06584	4.0
72.45554	1.3
79.05504	3.4
81.07053	2.6
84.08140	2.0
85.02934	2.1
86.09699	3.5
91.05476	9.2
93.07050	12.2
94.06567	6.8
95.04952	4.2
95.08607	2.6
97.02910	2.6
99.04449	2.8
105.04517	1.7
107.08625	2.3
109.06507	1.6
110.06078	1.8
111.08097	8.0
117.06979	1.7
119.04939	1.5
120.08137	1.9
121.06490	4.4
122.06048	4.6
124.07603	2.7
132.08067	1.7
134.05988	1.6
134.09654	8.8
135.08015	3.2
136.07570	6.5
137.05989	3.3
138.05525	1.8
138.09158	4.3
139.03882	3.5
140.03430	2.1
140.07056	5.2
144.08073	2.0
148.07622	2.0
152.10713	4.8
153.01854	14.5
154.02164	4.0
154.04982	3.2
154.08609	3.4
160.07637	3.5
162.05476	1.8
162.09160	39.9
163.07547	1.7
166.08594	2.0
167.07065	1.3
173.13159	1.6
179.07068	1.4
180.10208	36.8
182.08179	1.8
182.09662	2.9
187.08569	1.9
190.08701	7.3
201.10210	1.6
208.09700	100.0
209.10139	1.6
210.09128	1.8
211.08746	3.5
213.10208	2.1
214.08609	2.0
215.08150	4.8
216.06653	1.6
225.10294	2.6
227.08168	2.3
229.09679	4.3
230.08084	1.3
237.10199	2.8
239.08168	6.1
241.09778	3.5
242.07968	2.8
243.07779	2.6
243.11328	1.6
249.10048	2.0
251.08128	3.0
251.11890	2.6
253.09662	4.7
255.11386	2.5
257.09229	4.9
259.10913	2.4
265.09683	3.4
266.10382	2.3
267.07611	4.6
267.11197	3.0
269.09177	2.0
273.08762	1.8
275.10236	3.5
279.07669	2.3
279.10889	1.5
281.09158	4.7
283.07492	1.8
283.10779	4.1
285.08792	4.1
285.11893	1.8
293.09140	4.1
295.10660	1.8
299.10272	2.6
303.09818	21.3
303.13156	1.4
309.08713	3.9
311.10385	8.0
313.11526	2.6
325.11841	6.7
327.09830	5.5
328.13916	2.6
333.11032	2.2
335.12396	24.9
340.13641	2.6
341.14246	3.4
343.13138	1.7
353.11313	4.9
355.09268	3.2
371.12158	3.5
385.14090	4.3
428.16345	2.6
446.17154	1.6
464.17990	2.4
469.20947	1.6
469.73807	1.5
474.16284	3.3
478.19827	4.8
482.19330	1.8
492.17758	16.3
506.19006	9.6
510.18835	41.3
524.20349	12.6
542.21356	42.7
543.21930	1.8
561.97095	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.7
53.03935	4.6
55.05512	13.4
57.03444	3.4
57.07077	100.0
58.04210	2.7
58.06595	1.7
59.05003	40.0
67.05506	26.9
68.93469	1.6
69.07073	11.1
70.06596	11.6
71.04998	2.4
71.08237	3.4
71.08633	66.0
71.12203	2.8
72.05788	1.8
72.08945	1.9
73.02911	2.0
73.06564	2.4
79.05493	28.5
81.07059	25.4
83.04993	3.9
83.08620	6.6
85.10185	61.6
86.61791	1.5
87.04457	4.6
88.07635	13.3
89.06030	10.1
90.01904	11.5
91.05480	23.3
93.07048	28.6
95.04967	5.6
95.08611	17.6
97.10164	5.9
99.11740	9.3
100.08889	2.4
101.09660	3.2
102.09199	10.0
105.04476	1.9
105.07033	15.0
107.08569	8.1
109.06499	2.6
109.10162	7.0
113.13289	5.2
115.07539	2.2
116.09444	2.1
116.56327	1.6
117.06994	5.0
117.09141	14.2
119.08577	10.0
121.10162	5.6
125.80674	1.6
129.07021	4.1
131.08582	5.1
133.08595	6.2
133.10132	6.6
135.11693	4.5
143.08586	3.6
145.10150	6.0
147.11700	8.7
149.13243	2.4
155.17952	5.2
157.10072	1.9
159.11674	2.4
161.13269	4.9
169.10159	2.1
171.11685	9.8
178.07196	1.8
183.17479	2.6
207.13863	6.8
213.22197	8.7
215.18019	1.9
230.92952	1.6
256.26343	13.9
257.26657	15.5
271.26352	10.0
284.26669	2.1
284.29633	1.8
311.29468	15.8
312.29797	13.0
489.09088	1.7
541.39673	20.9
541.53864	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.0
53.03949	11.4
54.16634	1.2
55.01872	3.3
55.05515	31.8
56.05848	1.1
57.03439	3.1
57.07082	18.2
57.81756	1.2
58.06600	1.4
58.07415	2.1
59.05004	6.9
63.44601	1.0
65.03949	5.8
67.05507	84.1
69.03438	2.2
69.06728	1.9
69.07069	23.9
69.77879	3.5
69.78283	2.4
70.06593	10.3
71.04994	3.5
71.08634	10.5
73.02919	1.5
73.06567	1.4
77.03940	2.5
79.05496	100.0
81.03419	7.0
81.07061	68.4
82.07394	1.5
83.04983	11.0
83.08624	10.3
85.06531	3.5
85.10197	6.2
88.07636	13.3
89.06036	4.9
89.07990	1.3
91.05485	65.6
93.07047	84.1
94.91173	1.0
95.04980	17.8
95.08611	50.3
95.78694	1.0
97.06548	4.2
97.10142	5.2
98.21399	1.9
99.08105	2.3
101.06087	1.3
102.09171	9.8
103.05405	2.2
104.47401	1.0
105.04541	5.1
105.07034	48.5
107.04973	5.1
107.08595	27.9
109.06506	6.5
109.10157	14.9
111.08070	2.7
117.07021	14.3
119.06124	1.4
119.08592	29.8
121.06505	2.8
121.10151	21.2
123.08061	5.9
123.11713	4.0
125.09676	1.6
127.07572	1.5
128.06230	2.9
129.07013	16.6
131.08574	16.5
133.08607	3.4
133.10139	16.3
135.11697	13.2
141.06979	2.0
142.07829	1.6
143.08565	12.0
145.10141	18.9
147.08116	2.5
147.11703	31.2
148.77200	1.1
149.13290	5.1
153.09122	1.2
155.08577	3.4
156.09274	1.5
157.10147	5.7
159.11684	6.5
161.09660	2.6
161.13242	11.7
163.14896	2.1
169.10167	2.8
171.11699	23.3
173.13268	5.7
175.14836	1.5
181.10126	1.4
183.11697	2.6
185.13306	4.5
187.14856	2.5
189.12756	8.3
197.13277	3.2
207.13806	22.5
211.14905	1.9
223.14870	1.3
225.14877	2.8
243.21098	2.1
250.41562	1.1
256.26331	19.1
257.26718	10.6
261.22156	5.4
274.27466	2.0
281.17429	2.0
283.26355	2.2
284.26624	2.2
284.29520	2.7
311.29465	15.5
312.29749	15.0
381.67661	1.2
449.33969	6.8
467.35455	4.0
523.38129	4.4
540.53577	18.8
541.38971	82.6
541.53711	58.7
542.39905	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.4
51.02375	2.5
53.03950	10.6
54.53262	1.0
55.01865	4.1
55.05271	2.0
55.05515	30.1
57.03437	3.2
57.07068	4.9
57.16778	1.1
57.43159	1.2
65.03944	5.1
65.09025	0.9
66.58860	0.9
67.05506	80.5
69.07069	23.4
69.24358	9.3
71.04996	2.9
72.19068	0.9
79.05495	100.0
81.03416	5.4
81.07059	67.1
83.04993	9.7
83.08628	8.6
85.06551	3.7
90.49543	1.0
91.05483	68.4
92.87830	1.1
93.07047	80.5
94.26312	1.1
95.04978	19.6
95.08607	45.4
97.06554	4.3
97.10189	4.0
103.05497	2.5
105.04530	4.8
105.07033	47.8
107.04956	3.8
107.08597	28.8
109.06508	5.0
109.10168	12.5
111.08096	3.3
115.05442	2.1
117.07019	16.9
119.08585	32.0
121.06541	2.8
121.10146	22.9
123.08105	5.4
123.11701	2.3
125.09631	1.2
127.07557	1.8
128.06230	3.2
129.07004	15.7
130.07803	1.7
131.08586	13.2
133.10143	15.8
135.11697	9.9
137.09595	1.6
141.07036	2.3
143.08583	12.7
145.10135	18.1
147.08022	1.9
147.11699	31.1
149.13274	4.9
155.08588	3.8
156.09306	1.7
157.10146	6.1
159.11691	7.6
161.09647	4.4
161.13289	13.8
166.19942	1.1
167.08586	2.1
169.10159	4.8
171.11697	26.7
173.13274	3.5
175.14935	1.7
181.10146	1.9
183.11722	3.9
185.13280	3.2
187.14862	3.1
189.12764	8.9
195.11789	2.7
197.13284	2.5
199.14853	1.5
207.13808	24.1
209.13351	1.3
211.14874	2.1
213.16449	1.3
225.14859	3.6
243.21039	1.8
261.22177	5.8
281.17673	3.6
283.20728	1.3
304.13229	1.2
317.24924	1.9
335.25876	1.2
431.33023	1.6
449.34305	6.4
467.35217	2.5
487.36249	1.2
505.36526	1.4
523.37726	4.9
541.38922	98.8
542.39160	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	541.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.1
53.03947	10.4
55.01871	2.5
55.05514	28.7
57.03441	3.5
57.07070	2.5
59.04997	0.8
61.33092	0.7
62.19252	0.7
65.03926	4.8
67.05507	83.5
68.05834	1.0
69.03428	2.0
69.07070	17.5
69.82670	3.8
71.04991	3.2
71.08607	0.7
71.80443	0.7
72.02586	0.6
73.06580	1.0
74.15882	0.7
77.03924	2.0
79.05497	100.0
81.03426	7.0
81.07059	70.8
81.07756	1.0
83.04989	9.4
83.08623	9.9
85.02921	1.0
85.06560	3.0
89.99299	0.7
91.05485	69.9
93.07048	87.3
95.04979	18.8
95.08611	45.1
97.06533	5.7
97.10156	3.6
98.20782	0.9
101.06090	0.9
103.05482	1.7
104.12354	0.8
105.04531	5.4
105.07037	49.1
107.04988	3.2
107.08599	33.4
109.06537	4.9
109.10162	11.5
111.08081	2.7
115.05486	1.5
117.07023	12.0
119.06181	0.8
119.08584	29.5
121.06520	2.8
121.10152	20.0
123.08072	5.8
123.11714	3.1
125.09617	1.2
128.06248	3.3
129.07010	15.6
130.07866	1.0
131.08575	12.6
133.10133	16.3
135.08119	0.8
135.11697	11.2
137.13307	0.8
141.07117	0.8
142.07767	1.0
143.08578	7.6
145.10130	14.8
147.08095	2.7
147.11693	31.6
149.13274	6.2
155.08556	1.3
157.10112	3.6
159.11681	5.2
161.09648	2.7
161.13260	11.5
163.11212	0.8
163.14847	2.5
163.44124	0.7
169.10165	2.5
171.11696	23.7
171.13150	1.2
173.13339	4.9
175.14850	1.7
179.14369	1.2
181.10191	1.3
183.11780	1.9
185.13316	2.6
187.14810	2.1
189.12761	9.0
197.13324	2.1
199.14865	1.5
201.16393	1.3
207.13812	27.5
209.13371	0.9
211.14720	1.1
221.13435	1.0
225.14708	3.9
235.02727	0.8
259.20636	1.0
261.22159	5.1
265.19656	1.1
281.17502	3.1
317.24884	1.9
344.33090	0.8
449.34222	2.9
467.35114	1.2
523.37848	2.3
541.39001	78.2
541.53552	2.6
542.39301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.3
53.03954	10.9
55.01874	2.8
55.05516	28.7
57.03428	3.6
57.07072	4.1
58.07429	0.8
59.05008	1.6
62.93103	0.9
63.22593	0.9
65.03947	7.0
67.05511	82.1
69.03447	1.7
69.07072	17.9
70.06587	0.9
71.04997	3.7
71.08633	2.4
71.54774	0.9
73.06533	1.7
77.03922	3.5
79.05500	100.0
81.03419	7.3
81.07064	70.2
83.04987	8.9
83.08627	11.3
85.06559	2.8
85.10213	1.7
89.38646	0.9
91.04630	1.2
91.04909	2.3
91.05489	74.7
93.07050	86.6
95.04987	17.8
95.08612	45.3
97.06545	4.1
97.10165	4.5
99.08066	1.4
103.05457	1.7
105.04524	4.0
105.07037	46.3
107.04954	3.7
107.08601	30.7
109.06527	4.9
109.10171	13.2
111.08080	2.0
113.09648	1.1
115.05472	2.1
117.07019	15.4
119.08595	28.3
121.06528	2.2
121.10149	19.7
123.08046	4.7
123.11739	2.5
125.09671	0.9
128.06192	4.8
129.06995	17.0
130.07747	1.2
131.08585	16.9
133.10150	16.7
135.08127	1.3
135.11703	13.6
141.07024	2.2
143.08565	12.9
145.10144	16.0
147.08034	1.7
147.11699	28.2
149.13269	5.7
155.08540	5.0
157.10107	6.2
159.11684	9.7
161.09627	3.2
161.13263	13.8
163.14833	2.0
167.08434	1.1
169.10162	4.2
171.11710	21.2
173.13304	4.2
179.14403	1.4
181.10040	1.3
183.11731	3.8
185.13301	2.4
187.14893	2.6
189.12814	9.3
195.11623	1.5
197.13271	2.0
199.14877	1.2
207.13815	21.7
209.13376	2.5
211.14853	2.4
213.16397	1.0
223.14859	2.0
225.14937	3.3
256.26367	1.9
257.26935	1.3
261.22092	6.7
281.17499	2.0
311.29657	1.6
317.24652	1.7
449.34467	5.2
467.35541	1.6
485.36639	1.6
523.37781	2.3
540.53870	2.0
541.38940	98.1
541.53528	5.2
542.39233	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.0
55.05507	18.6
55.92436	4.0
57.03425	5.5
57.07071	17.1
65.03964	4.2
67.05514	37.6
69.03450	29.9
69.07076	43.9
70.06565	5.2
70.90250	9.7
71.04987	5.7
73.63405	4.1
79.05495	18.0
81.07060	100.0
82.54780	4.4
83.05001	4.7
83.08604	17.9
85.02905	12.9
85.06077	6.6
85.06552	81.7
86.09674	5.0
91.05472	12.0
93.07046	54.5
95.04945	4.6
95.08060	5.5
95.08626	60.3
97.06525	15.6
97.10149	5.6
99.08088	14.3
101.06030	4.6
103.05450	5.0
105.07012	25.7
107.08601	50.9
109.06512	5.4
109.09449	6.8
109.10160	62.4
111.08121	33.9
119.08600	22.0
121.06506	6.5
121.10139	34.8
123.04443	5.0
123.08130	6.0
123.11715	71.6
125.09641	81.3
127.11197	7.9
131.08580	4.7
133.10107	15.7
135.11685	35.7
137.05983	9.9
137.09660	4.7
137.13278	11.2
139.03918	6.7
139.11174	12.0
145.10127	6.4
147.11678	12.2
149.09673	5.4
149.13293	21.7
151.03984	5.0
151.11232	6.9
153.01794	40.1
153.12761	16.4
159.11790	4.9
161.13252	9.0
162.09184	8.0
163.14833	15.3
165.12761	7.0
167.14328	6.6
168.94504	4.0
169.12222	11.9
169.65793	3.9
171.13805	84.6
171.53178	4.0
173.13203	10.7
175.14923	5.6
180.10229	11.4
183.13841	6.0
191.17947	11.3
208.09718	28.7
215.17990	5.0
227.16333	10.8
237.18608	5.9
271.24069	6.8
277.25366	11.1
289.25372	25.8
295.26334	17.5
303.09613	8.7
307.26370	51.0
313.27274	11.8
325.11749	4.8
325.27350	15.4
327.13312	4.7
327.87766	4.6
339.13434	6.4
340.13705	14.9
342.55551	5.1
343.28494	27.1
356.09891	4.6
361.29474	23.8
368.13245	19.1
509.21011	26.1
510.18414	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
51.49360	0.6
55.01867	2.3
55.05517	3.7
56.05038	0.9
57.07083	1.5
58.06588	0.9
58.99584	1.9
66.60712	0.6
67.05496	0.7
69.07076	8.2
70.02912	0.6
70.06587	0.8
71.50957	0.7
72.08162	10.6
73.01186	0.6
74.00648	1.1
76.02237	5.2
76.04017	1.3
79.05499	1.2
81.07053	1.4
81.80791	0.6
83.06125	0.8
84.04513	16.0
84.08154	2.9
85.01128	3.2
86.09705	4.4
86.99065	1.0
87.02691	3.8
91.05488	5.6
93.07048	0.9
96.08109	1.0
98.09704	2.2
99.05595	5.7
105.07021	1.7
107.06091	2.8
109.06528	0.8
109.07663	2.7
112.03973	4.4
113.04234	7.6
114.05507	1.3
115.05428	5.7
116.01671	3.5
117.07034	7.4
118.06547	2.8
119.04968	2.2
119.08656	0.8
121.06493	3.9
123.04434	7.3
127.05031	0.7
128.06242	1.0
129.07037	6.6
130.05034	5.9
130.06876	12.1
130.08624	5.3
131.04926	3.1
133.06525	2.4
135.05545	1.3
135.58731	0.7
137.06000	12.3
138.09161	0.9
139.85875	0.7
142.03253	1.4
142.05029	1.4
143.04944	4.3
143.08577	1.9
144.01178	1.8
145.06453	11.6
146.06020	4.6
147.04430	5.8
148.05186	2.0
149.04742	2.1
149.05998	9.0
151.04034	0.7
153.01854	2.0
153.06606	6.4
154.04976	1.0
154.56204	0.7
155.08192	2.2
157.06483	6.3
160.05220	1.9
161.05991	57.7
162.02219	3.8
162.06764	1.6
163.06345	1.4
163.07585	7.8
164.07079	72.7
169.88866	0.7
170.07298	1.5
171.08084	2.3
171.11646	3.3
175.07562	24.9
175.09038	1.4
177.07848	0.9
179.04930	1.6
180.10255	1.0
181.03246	2.9
181.06117	3.9
184.09723	1.1
187.11311	1.2
188.08376	2.1
189.09126	5.4
196.04247	0.7
196.08003	0.7
199.07179	7.1
199.11205	5.4
205.12331	0.9
211.07104	1.1
216.06941	4.3
217.12257	38.9
218.12914	0.9
233.05963	1.1
233.09641	3.1
234.14903	51.7
239.06444	0.9
244.64401	0.7
251.11205	1.7
256.09375	6.7
257.07733	2.5
266.12088	3.8
268.13696	26.1
268.16617	1.5
274.10410	0.8
288.60104	0.7
308.09171	1.5
412.19022	66.9
413.19247	1.3
480.44662	0.8
523.22192	1.9
532.49615	0.8
541.23328	100.0
542.23676	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91996	0.8
55.01856	2.1
55.05508	2.2
55.79002	0.8
56.05036	1.8
57.07075	1.7
58.06609	1.3
58.99587	1.5
67.05475	0.9
68.05029	0.8
69.03461	0.8
69.07081	6.2
70.06580	3.2
71.50535	1.6
72.08159	10.2
72.38961	0.7
76.02238	5.4
76.03983	0.8
78.19312	0.8
79.05505	1.7
80.02137	0.8
81.07067	1.5
82.06590	1.2
84.04511	13.6
84.08149	2.2
85.01119	1.7
85.02907	1.3
86.09710	3.1
87.02686	2.8
91.05488	3.9
93.07049	1.8
96.08137	1.0
97.02878	1.1
98.09722	2.4
99.05584	4.9
105.07059	2.1
107.06099	2.2
109.07650	1.8
109.75931	0.9
110.06016	1.0
112.03992	2.8
113.04232	6.8
115.05514	3.2
116.01680	3.2
117.07005	4.4
118.06555	3.1
119.04978	2.1
121.06516	16.3
123.04429	6.4
129.07045	5.0
130.04214	1.2
130.05022	5.6
130.06880	12.9
130.08662	5.2
131.00267	1.1
131.04967	3.1
131.08516	0.9
133.06508	1.7
137.05988	12.7
138.09169	1.4
139.03917	1.2
141.01854	1.0
142.04971	0.9
143.04958	3.4
143.08560	2.2
144.01184	1.2
145.06406	8.7
146.06062	3.6
147.04404	6.3
147.07991	0.9
149.04840	1.5
149.05986	9.2
152.07132	1.3
153.01813	5.6
153.06653	3.7
155.08212	2.1
157.06517	5.1
159.07991	1.2
159.96156	0.9
160.05280	1.7
160.09137	0.9
161.06000	49.1
162.02258	3.6
162.06802	1.8
163.07574	5.6
164.07076	63.3
168.45685	0.8
170.07297	0.9
171.08125	1.8
171.11728	2.3
175.07558	21.1
175.09053	1.5
177.05499	1.1
179.04881	1.5
180.10223	1.4
181.03227	2.1
181.06117	3.3
184.09792	1.1
187.11230	1.1
188.08432	0.9
189.09038	5.5
199.07213	6.5
199.11157	5.2
205.12245	2.2
208.09642	1.5
216.06940	4.2
217.12247	32.6
217.14308	1.9
233.06015	0.9
233.09596	1.8
234.14920	40.6
235.15367	1.2
236.41656	0.8
251.97118	0.9
256.09253	4.9
257.07791	2.2
266.12219	3.3
268.13718	21.0
273.07687	1.8
274.10529	0.9
290.10431	1.5
308.09058	1.0
315.19315	1.0
324.10910	1.0
379.14963	1.8
395.16464	1.0
412.19043	53.5
413.19153	1.4
523.21991	2.8
524.20892	1.1
541.23370	100.0
542.23566	2.0
543.90753	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2279
Annotation	Erizomycin
Peak:m/z	Relative Intensity
51.02391	1.6
52.84277	1.3
53.03930	1.8
55.05500	1.3
57.03448	2.5
69.03419	3.6
69.07084	2.7
70.06600	2.8
71.51308	2.2
79.01857	3.0
79.05478	2.0
79.72487	1.4
81.03424	6.3
81.07069	3.8
83.04987	2.7
83.08624	2.5
83.38656	1.4
85.02921	6.5
91.05493	3.5
93.07050	3.9
95.04960	4.8
95.08619	3.8
97.02898	4.7
97.06557	3.0
99.04462	1.9
99.81499	1.3
103.05457	1.6
105.07040	3.9
105.27641	1.5
106.68282	1.5
107.01356	2.2
107.08613	4.8
109.02893	5.5
109.06521	3.0
109.10136	1.7
119.08610	2.6
121.10154	3.8
123.04447	1.8
125.02372	4.3
125.09650	1.8
127.03905	8.4
133.10129	4.7
135.08040	1.5
137.05984	2.9
137.65849	1.4
139.03912	10.6
143.03435	3.7
147.11674	1.8
151.03928	5.7
151.07690	2.1
153.01846	100.0
153.02850	5.1
153.09143	2.7
154.02200	3.7
154.04988	1.5
155.85719	1.6
157.64331	1.4
163.03944	2.8
165.12817	1.4
167.07002	2.6
171.02914	11.4
173.13216	1.9
177.05367	1.3
179.14233	2.5
191.14340	5.7
197.08104	2.4
209.15340	6.4
221.11720	4.7
227.16402	3.7
236.09332	1.4
237.10297	1.5
238.10555	1.6
240.23735	1.3
252.12201	1.4
253.09792	2.6
265.09628	2.6
266.10059	2.2
279.11258	3.8
280.08408	1.6
280.11728	2.4
293.09262	2.2
297.06140	3.0
308.11237	3.0
312.10748	1.6
313.03638	6.8
313.11246	2.0
315.07150	15.8
325.11865	4.7
326.12225	2.6
327.13574	3.6
328.13663	6.8
339.13416	6.0
340.13736	13.5
352.10410	1.3
353.11157	4.6
354.11780	2.6
367.12851	5.0
368.13324	11.7
385.13943	5.5
386.14258	2.0
387.07608	1.8
400.15500	2.0
491.16327	2.1
508.20279	1.5
509.21381	16.1
538.08124	1.5
541.22974	6.2
541.29962	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	540.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04546	0.6
55.05516	3.4
57.03437	0.6
57.07079	34.8
57.46879	0.7
58.06597	1.4
59.05005	6.8
62.89785	0.6
67.05503	4.1
69.07076	3.7
70.06598	14.7
71.04982	1.5
71.08635	22.6
71.51544	0.5
73.02914	1.2
79.05495	2.1
81.07063	4.4
83.08618	2.4
85.06554	0.7
85.10186	16.8
87.04475	1.6
88.07640	17.7
89.06036	48.4
91.05485	1.5
93.07051	1.1
95.08612	4.1
97.10175	2.2
99.11747	2.1
101.09670	0.9
102.09190	13.0
103.07645	0.6
105.07038	1.1
107.08584	1.0
109.10185	1.7
113.13340	0.9
116.07074	3.4
117.09128	2.0
119.08535	0.6
130.08656	1.0
133.08609	29.7
133.10118	1.2
147.11674	0.8
155.17969	2.0
177.11250	9.5
195.12361	1.7
212.23753	0.8
213.22171	2.2
214.65265	0.6
221.13879	1.3
239.15022	1.5
256.26367	43.0
271.06845	0.7
271.26279	1.9
274.27518	3.8
283.17538	1.7
283.26300	5.8
284.29523	4.6
302.54959	0.7
311.29443	40.3
327.20163	17.8
347.66089	0.6
496.40811	0.9
497.84396	0.6
540.53528	100.0
541.39240	1.0
541.54449	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97466	0.4
69.07002	1.7
70.06516	0.7
70.46349	1.3
70.46689	0.6
86.76241	0.5
87.58018	0.6
93.25802	0.5
112.72597	0.5
121.06442	0.7
122.05968	0.6
122.34863	0.5
123.41284	0.5
132.08020	0.6
137.05923	1.2
138.06322	0.8
139.03856	0.9
140.06978	1.5
146.05991	0.7
151.03883	0.5
152.07013	1.8
153.01768	1.8
154.08537	1.4
156.10175	0.9
167.07185	0.5
168.10199	0.7
172.03804	0.6
176.10655	0.9
194.08061	1.5
204.06328	0.6
209.10660	1.4
210.11531	0.8
221.10863	0.5
222.11391	0.8
223.08696	0.7
223.12212	2.3
225.10187	3.3
226.10988	0.8
235.08672	3.6
235.12276	0.6
236.09467	2.6
237.10216	9.6
238.10890	1.6
239.11665	1.2
240.12468	1.1
241.13237	0.5
248.09219	1.1
249.07895	0.8
249.10243	8.9
250.10999	4.5
251.08145	1.7
251.11800	19.0
252.08829	0.8
252.12469	2.2
253.09743	16.1
253.12839	0.9
253.13338	1.2
254.10320	0.9
255.11183	0.5
261.10162	1.4
262.10965	1.2
263.11847	2.6
264.08878	0.6
265.09723	17.7
265.12799	0.9
266.10309	1.6
266.14386	0.6
267.11301	6.0
267.14273	1.0
268.12079	0.7
277.09647	3.4
278.06729	1.0
278.10471	7.2
279.07666	4.0
279.11234	22.5
280.11993	4.5
281.09860	0.5
281.12793	2.6
281.15488	0.5
282.09872	0.7
283.10687	1.1
289.09619	1.3
291.11185	1.1
292.11908	0.9
293.09183	6.1
293.12833	6.7
294.09940	2.8
294.13284	1.1
295.10757	4.2
295.14401	3.4
296.11447	1.9
297.12323	6.6
299.13843	0.9
301.15314	0.7
306.09833	1.0
307.10861	3.3
308.11475	1.4
309.08820	1.0
309.12189	6.2
311.10138	3.7
311.13840	2.9
312.11041	11.4
312.14386	0.6
323.10339	1.0
323.14011	2.0
324.11023	4.7
325.11832	13.3
326.12671	1.1
327.13397	47.5
328.13773	1.1
334.09573	1.1
335.10178	6.1
336.10968	1.4
337.11853	4.9
339.13397	100.0
340.13855	4.3
341.14948	1.3
352.10446	1.7
353.11270	8.4
354.12070	0.9
357.14359	0.9
367.12888	89.3
368.13535	7.7
373.10434	0.5
384.13202	1.0
385.13980	11.4
399.15521	16.9
400.16068	0.7
452.18246	0.9
467.20374	0.8
476.18073	4.9
480.21576	3.0
508.20816	91.8
509.21149	3.1
526.21918	0.7
532.43066	0.5
540.23511	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	540.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	0.9
67.05503	1.8
69.03426	1.1
69.07074	9.7
70.06588	2.3
71.04979	0.8
71.50531	0.6
75.12193	0.5
78.21098	0.5
79.05513	0.8
81.03451	0.9
81.07066	2.0
84.08159	1.3
85.02909	1.2
88.30405	0.6
91.05496	1.9
93.07043	1.5
94.06564	1.5
95.08611	0.9
97.02895	1.1
99.04458	2.1
105.07016	1.8
107.04939	0.6
107.08600	1.2
108.08109	1.1
109.02869	0.8
109.06551	0.7
110.06064	0.7
119.04929	0.7
120.04457	1.2
121.06549	1.6
124.07592	0.9
129.10292	0.7
133.10158	0.7
136.07607	0.8
137.06006	4.7
138.06313	0.8
138.09152	0.7
139.03943	2.1
140.07076	8.3
151.03873	1.1
151.07544	1.4
152.06946	0.7
153.01842	7.2
154.02151	0.9
154.08630	6.4
158.08069	0.9
161.06026	1.4
167.07069	0.9
172.03865	0.8
175.07591	2.0
177.09082	0.8
195.10144	0.9
211.12357	0.6
216.10326	1.3
225.10295	1.5
226.10915	0.9
227.16528	0.8
235.08769	1.1
237.10258	3.1
238.10927	2.0
239.11739	1.4
243.11241	1.0
248.09352	1.5
248.15204	1.7
249.10295	1.5
250.10977	1.0
251.11858	3.4
252.12560	1.4
253.09769	6.2
253.13268	0.9
261.10217	0.6
263.11835	3.5
265.09744	6.1
266.10620	0.9
267.11374	3.6
275.13971	1.6
277.09781	1.5
278.10657	1.1
279.11292	5.5
280.11948	1.9
281.09189	0.6
281.12885	1.9
283.10925	0.9
283.14142	0.7
285.12433	2.1
291.11209	1.5
293.09198	3.3
293.12564	1.2
294.09756	0.7
295.10840	3.2
295.14517	3.5
295.74121	0.6
296.11569	1.0
297.12396	5.6
299.10043	0.6
301.15311	1.5
306.09830	0.9
307.10620	1.4
309.12396	4.8
310.12808	1.3
311.10223	2.1
311.13675	2.7
312.10846	4.4
313.11887	1.6
323.13937	1.4
325.11838	6.8
326.12534	0.7
327.13431	21.8
328.14133	1.2
335.10300	2.1
337.11792	3.2
339.13406	26.2
340.14099	2.8
341.15060	0.9
353.11435	5.5
354.12082	1.7
362.15057	0.7
365.17209	0.8
367.12909	15.3
368.13626	5.1
369.14444	1.7
378.12482	1.0
385.13794	1.1
392.16315	0.9
421.13913	1.2
424.18661	0.8
435.17941	1.4
436.18655	0.7
452.17801	3.2
462.20395	0.7
467.20551	6.7
476.17935	2.9
480.21286	7.4
508.20850	100.0
509.21243	3.4
526.21979	0.9
540.23505	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	540.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86850	0.8
57.75248	0.7
58.98867	0.7
69.07059	0.9
69.85252	4.0
77.86925	0.8
98.20757	1.5
122.01786	0.8
122.06062	0.9
126.44141	0.8
140.07143	0.9
142.67163	0.6
146.05998	1.0
148.58289	0.6
151.07494	0.8
152.07077	1.5
153.01846	0.8
154.08649	1.0
176.10829	1.0
191.05582	0.7
194.08167	1.8
209.10706	0.9
210.11620	0.7
215.82756	0.7
223.12411	1.1
225.10284	3.3
228.65338	0.8
233.11050	0.9
235.08672	5.2
236.09535	3.5
237.10263	9.7
238.11046	2.4
239.11842	0.9
240.12457	0.9
249.10298	8.1
250.11095	5.5
251.08241	1.9
251.11810	16.5
252.12544	2.2
253.09749	13.6
253.13603	1.0
261.10245	1.5
263.08206	1.9
263.11719	2.0
265.09738	16.9
266.10278	1.0
267.11359	4.8
268.11807	1.2
277.09579	3.7
278.10550	5.0
279.07727	3.6
279.11282	22.8
280.12079	4.4
281.12848	1.4
282.10175	0.9
289.09756	1.9
293.09219	7.4
293.12848	6.5
294.09985	3.5
294.13370	1.4
295.10776	4.0
295.14346	2.9
296.11591	2.2
297.12396	6.1
299.13788	1.1
306.09772	1.5
307.10788	3.0
308.11664	1.3
309.09012	1.2
309.12265	5.3
311.10245	3.3
311.13971	2.3
312.11038	11.5
323.13852	1.6
324.11182	3.8
325.11829	14.4
327.13412	44.3
328.13776	1.9
331.15536	1.9
335.10291	4.3
336.11038	1.7
337.11777	5.5
339.13416	100.0
340.14053	3.1
352.10645	1.7
353.11411	8.2
367.12906	88.7
368.13574	8.2
369.14514	0.9
385.13937	14.8
399.15552	17.1
412.66458	0.9
431.83142	0.9
476.18195	5.5
480.21344	2.3
508.20834	92.9
509.21359	3.0
526.22180	0.9
540.23560	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	540.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94764	0.6
66.14206	0.6
69.07071	1.1
69.62284	4.4
70.06587	1.9
81.07056	1.5
85.06549	1.1
91.05484	2.2
93.07054	1.7
95.04996	0.8
95.08633	0.7
109.10123	0.9
110.06040	0.9
120.04468	0.7
120.08133	1.4
121.06521	2.0
121.10127	1.3
122.06010	1.2
123.08029	0.9
124.07634	0.8
136.07561	0.7
137.06015	1.2
139.03900	1.1
140.07085	1.2
146.06010	1.1
151.03914	1.6
152.07109	2.6
153.01866	2.8
154.08647	0.8
156.10228	6.4
159.08104	1.0
166.08655	1.3
168.10269	2.2
172.04010	2.3
176.10779	0.8
177.05499	1.4
189.09158	1.4
190.05034	1.1
194.08176	1.7
201.09187	0.7
204.06517	1.6
204.98099	0.7
208.09729	1.1
209.10800	2.6
211.12367	0.8
219.10156	7.7
221.07071	0.7
222.07748	1.0
222.11504	1.1
223.08661	1.2
223.12410	3.0
224.09460	1.6
225.10234	15.7
225.13667	0.9
234.09177	1.2
234.11429	0.9
235.08585	5.3
236.09314	5.6
237.10223	13.5
238.10951	4.4
239.11902	2.0
240.12592	8.9
248.09370	1.5
249.10136	9.0
250.11011	4.8
251.08188	1.7
251.08711	1.1
251.11806	31.3
252.08913	1.3
252.12599	2.5
253.09747	12.7
253.13574	2.8
261.10275	1.9
263.08276	0.7
263.11743	3.6
264.08990	1.1
265.09744	21.6
266.10608	2.9
267.11270	6.3
268.11874	0.9
269.12973	0.9
277.09805	3.6
278.10443	5.7
279.07913	3.4
279.11279	37.8
280.11981	6.5
281.03360	0.7
281.09973	1.0
281.12881	4.8
283.10831	1.9
285.12518	0.8
291.11353	0.9
293.09283	14.1
293.12888	5.0
294.10123	4.6
294.13013	0.9
295.10876	3.2
295.14142	1.6
296.11551	1.3
297.12326	16.3
299.13849	8.7
307.10748	7.6
307.13760	0.8
307.29333	0.8
308.11591	1.7
309.09061	1.3
309.12363	6.6
311.10303	3.9
311.14014	3.2
312.11127	9.5
312.14694	2.4
323.13852	0.9
324.11099	3.3
325.11841	36.9
326.12457	1.9
327.13412	35.5
328.13861	0.9
335.10175	4.3
337.11835	1.9
339.13406	49.0
340.14105	6.3
349.11652	0.7
352.10544	1.6
353.11337	7.7
357.14575	3.5
359.15732	0.8
367.12906	20.0
368.13702	5.6
369.14438	2.1
370.16144	0.8
384.13297	2.0
385.13965	75.3
386.14194	1.6
399.15527	20.1
400.16296	2.8
467.21005	0.9
508.20874	14.5
540.23523	100.0
541.24127	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	540.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01862	2.2
60.04512	2.1
67.05497	3.2
69.03425	1.7
69.07062	1.6
69.82921	1.2
70.06594	18.9
71.06921	1.9
77.03908	1.9
79.05470	1.8
81.03428	2.2
81.07041	2.8
83.01337	3.1
83.09367	1.1
84.08149	5.3
85.06552	2.6
91.05452	5.6
93.07050	3.3
95.04968	3.8
95.08605	1.8
96.08135	2.3
97.06538	9.3
98.09708	6.9
103.19473	1.1
105.07044	2.5
107.04941	2.2
109.02897	2.2
109.06509	3.7
109.10187	1.1
119.04917	1.9
119.08576	1.9
121.06520	15.9
121.10119	2.0
123.04430	70.9
125.02345	1.4
129.07033	1.6
130.24835	1.1
131.08588	3.7
133.06500	1.4
135.08047	1.5
135.10106	1.1
136.07704	1.2
137.05986	12.6
138.09149	3.9
139.03918	4.0
140.03494	2.3
143.03397	1.3
143.08646	1.3
147.04425	11.4
149.06000	3.6
149.09607	5.7
151.03896	13.6
153.01849	15.1
153.02974	2.0
153.05489	7.2
157.06534	1.2
159.08139	1.7
161.05959	3.5
162.06827	1.8
163.03909	19.4
163.07529	2.1
164.10625	1.2
165.05440	2.2
165.09178	1.1
171.07991	1.6
175.07622	3.1
177.05609	9.6
177.09108	76.7
178.05827	2.5
179.07034	3.3
181.08740	1.3
187.07504	2.8
189.05534	3.5
189.07675	1.2
189.09099	7.1
193.04968	2.4
193.08621	1.5
199.07524	8.6
201.05434	1.7
201.09137	4.3
205.08650	3.3
209.08119	3.9
216.10225	11.8
217.08669	3.8
218.11740	12.7
219.10107	7.4
229.04980	2.6
230.11813	4.2
233.11717	9.0
235.09694	1.8
236.12822	61.0
242.08258	2.0
248.12822	17.3
250.14319	8.5
283.06232	1.4
285.07486	5.2
311.12769	1.7
321.11136	5.1
339.12405	3.7
352.15652	2.6
370.16507	59.3
371.17047	1.4
388.17725	1.4
436.12265	1.6
436.75296	1.2
520.67798	1.3
540.18646	100.0
541.19031	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.7
64.58637	0.3
67.05447	1.1
69.03388	0.5
69.07056	0.4
69.28342	0.3
69.70097	1.3
69.70514	0.7
69.97796	0.3
70.06540	0.4
79.05460	0.7
81.03397	0.3
81.07003	1.1
85.02869	0.4
90.72121	0.3
91.05447	0.4
93.06996	0.8
95.08589	1.0
95.16501	0.4
95.66879	0.3
97.02856	0.4
105.06986	0.7
107.08551	0.7
109.02859	0.3
109.06497	0.4
109.10088	0.7
117.07047	0.4
119.08525	0.9
121.06494	0.5
121.10152	0.4
123.11667	0.6
133.10089	0.4
135.04408	0.3
135.11610	0.4
136.06152	0.4
137.05936	1.0
137.09550	1.0
139.03909	4.2
145.02844	0.5
151.03825	1.0
151.07394	0.9
153.01770	1.4
161.05917	0.3
165.08888	0.4
177.05423	1.4
181.04932	0.4
181.33595	0.4
191.07019	0.6
209.11545	0.6
217.93599	0.4
219.10168	0.4
227.06870	0.4
254.93910	0.3
289.07083	0.5
327.25201	0.5
333.23962	0.7
342.25629	0.4
377.22989	100.0
378.23169	1.9
399.15295	0.4
412.98886	0.4
539.28308	54.8
540.28595	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3433
Annotation	Virenamide A
Peak:m/z	Relative Intensity
53.03951	5.1
55.01876	8.5
55.05505	15.1
57.03438	7.8
59.03382	5.0
65.03944	8.6
67.05504	17.8
69.03421	16.1
69.07072	23.3
70.06599	7.1
71.01539	6.5
79.01844	6.1
79.05495	18.9
81.03439	14.3
81.07064	55.1
83.04997	10.6
83.08642	5.8
85.02905	15.6
85.06561	11.5
90.83484	4.3
91.05488	19.9
93.07055	32.9
95.04955	16.7
95.08617	37.3
97.06546	9.2
97.10107	9.3
99.04420	6.6
103.05487	7.8
105.07050	32.7
107.04964	11.0
107.08594	28.0
109.02906	11.3
109.06520	13.9
109.10175	26.7
111.08146	8.7
113.02361	5.4
119.08575	16.5
121.06495	7.5
121.10153	20.0
123.04453	6.0
123.08072	15.9
123.11717	15.9
125.05954	5.4
125.09580	5.2
127.03918	10.0
131.08540	12.6
133.10123	11.0
135.08046	14.0
135.11665	8.6
137.05997	15.9
139.03920	31.4
145.10120	10.5
147.04500	7.7
147.11673	21.1
149.09731	4.8
149.13295	8.3
151.03896	47.2
151.07574	31.5
153.00591	6.5
153.01837	100.0
153.03014	10.1
157.10103	6.4
161.05968	8.3
161.13292	5.6
163.03922	14.8
165.05411	5.3
165.12749	11.8
167.06993	10.9
169.04985	4.9
175.07568	13.3
177.05524	6.2
177.12750	4.6
179.07082	8.2
181.04971	36.8
189.09146	13.3
189.12811	8.3
191.03366	7.8
195.06569	11.5
205.80226	5.0
207.06415	6.5
207.10080	6.1
207.13806	23.6
209.08086	10.4
215.14355	5.1
219.10149	15.3
223.09593	11.0
267.11371	5.7
305.24756	10.7
323.25861	11.1
327.12311	8.5
349.23871	5.9
359.21921	11.8
377.22946	15.3
425.73724	4.7
503.26245	5.4
507.19751	27.8
517.30170	5.3
521.27356	44.3
539.21167	6.9
539.28906	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	539.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61681	1.0
53.03941	2.8
55.01870	1.8
55.05505	3.9
57.07075	1.3
67.05497	7.1
69.03434	16.1
69.07066	5.6
70.06596	2.6
70.84081	2.7
71.04982	1.8
76.10575	1.1
79.01854	3.6
79.05515	6.2
81.03424	8.9
81.07056	17.1
82.05235	1.1
83.04985	3.0
83.08627	2.1
85.02904	5.6
85.06548	10.5
91.05463	5.5
93.07040	10.0
95.04971	4.7
95.08615	10.6
97.02898	6.9
97.06529	3.7
99.04484	1.2
105.07039	10.1
107.01311	2.1
107.04949	2.5
107.08595	8.3
109.02860	5.2
109.06525	5.5
109.10178	9.4
111.08068	2.0
117.07011	1.6
118.76048	1.0
119.04990	1.4
119.08563	7.9
121.02847	3.0
121.06517	3.5
121.10153	7.9
123.04424	3.3
123.08103	3.5
123.11694	3.6
125.02345	3.1
125.09663	5.3
127.03929	7.7
131.08498	1.4
133.06523	2.8
133.10132	11.7
135.11703	3.9
137.06013	6.8
137.09624	4.9
139.03935	2.8
139.10236	1.2
139.11205	5.2
143.03369	3.2
143.08447	1.2
145.05028	2.2
145.10072	3.1
145.22964	1.1
147.11649	8.2
149.09607	3.0
151.03922	6.4
151.07562	2.8
151.11205	1.3
153.01839	100.0
153.02921	4.8
153.12750	1.4
156.09323	1.7
159.11703	2.6
161.05986	2.5
161.13295	6.1
163.03865	1.4
163.11188	3.4
165.09102	1.3
165.12825	1.6
171.02888	11.2
171.11639	2.4
171.13806	4.3
173.13457	1.2
181.05022	1.9
181.12164	1.5
189.12660	6.8
207.13802	26.5
219.10254	5.3
225.14835	11.9
272.89777	1.2
297.06168	6.6
305.24832	4.6
315.07242	6.4
323.25784	6.0
341.26770	1.8
539.24530	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	539.2125
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
51.02386	1.5
55.05521	1.2
59.90162	0.8
67.05502	4.0
67.25687	1.0
69.03432	15.4
69.07094	2.2
70.06592	4.0
70.96106	2.2
78.13426	0.9
79.01863	4.3
79.05496	4.0
81.03424	9.4
81.07059	4.2
85.02924	3.4
85.06521	2.1
89.12017	0.9
91.05498	1.5
93.07043	2.9
94.32528	0.9
95.04956	2.7
95.08617	2.5
97.02905	4.9
97.06529	1.7
99.04446	1.1
105.07027	6.5
107.01299	1.9
107.08588	1.8
109.02870	4.3
109.06519	3.2
109.10160	2.5
111.08068	1.2
111.49123	1.0
111.98962	0.9
119.08590	3.7
121.06441	1.0
121.10147	3.9
123.04475	4.6
123.08027	2.0
125.02352	3.7
127.03915	5.5
133.06450	1.7
133.10150	10.2
135.11731	1.4
137.05956	1.5
137.09641	6.6
139.11185	6.6
143.03389	5.4
145.04990	1.1
147.08023	1.6
147.11710	6.3
149.09659	1.2
151.03897	1.1
151.07605	1.9
153.01842	100.0
153.02885	4.6
156.09258	1.5
159.11641	1.2
161.13309	3.2
163.11246	2.1
171.02922	14.2
171.11711	2.3
174.10370	1.6
177.05524	1.2
177.12750	0.9
178.05836	0.9
189.12808	6.8
194.04202	1.0
207.13821	28.2
225.14870	11.7
287.71954	1.1
297.06024	6.7
297.41440	1.2
315.07150	7.9
330.09991	0.9
445.41348	1.0
476.31451	1.4
496.76694	0.9
539.17694	2.1
539.30786	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.7
57.03446	3.8
57.07080	100.0
59.04713	3.8
59.05004	72.9
65.08782	2.0
65.27754	2.1
69.07069	4.0
69.20286	20.4
71.08638	73.4
77.64082	2.2
79.44534	2.1
81.07088	3.2
83.08607	3.3
85.10188	59.2
99.11758	11.9
101.09635	4.4
105.07066	2.8
113.13274	2.9
117.09151	25.9
140.82524	2.1
155.17963	9.6
175.13298	5.1
213.22165	13.7
241.65465	2.3
271.26358	19.2
281.91183	3.4
284.50815	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	539.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01868	2.1
55.05510	3.6
57.03439	1.4
59.04987	1.5
67.05501	9.7
69.03090	1.3
69.03435	20.5
69.07072	7.1
70.06600	3.8
71.04999	2.4
71.50784	1.5
72.35236	1.2
79.01846	3.0
79.05496	7.8
81.03429	8.2
81.07075	12.8
83.04978	2.9
83.08620	2.2
85.02900	4.3
85.06550	8.6
91.05470	4.0
93.07058	8.8
95.04996	5.5
95.08627	11.6
97.02889	8.6
97.06532	3.9
99.04475	1.8
99.08098	1.8
103.05463	1.9
105.07050	10.4
107.01314	1.6
107.04980	1.6
107.08588	6.9
107.62396	1.1
109.02882	5.7
109.06524	3.6
109.10158	8.5
109.32148	1.0
111.08088	3.2
115.05496	1.2
119.08600	8.6
121.02887	2.4
121.06504	3.0
121.10162	8.6
123.04449	5.7
123.08073	5.2
123.11723	4.9
125.02335	2.4
125.09638	4.9
127.03916	8.7
131.08560	1.8
133.06496	3.0
133.10141	9.8
135.08032	1.9
135.11713	3.8
137.06000	6.0
137.09622	6.8
139.03903	3.7
139.11189	7.2
142.47743	1.1
143.03406	6.2
145.05000	1.3
145.10104	2.9
147.11696	8.4
149.09628	1.7
149.13232	2.3
151.03900	10.5
151.07578	2.9
151.11174	1.7
153.01846	100.0
153.02899	4.9
153.12788	1.9
155.10619	1.2
156.09299	1.2
159.11653	2.0
161.05923	2.1
161.13216	4.2
163.03949	1.7
163.11197	3.2
171.02901	14.2
171.11639	2.0
171.13797	4.2
177.05415	2.2
177.12801	1.9
178.05719	1.8
181.04959	1.4
181.12222	1.2
189.09132	1.7
189.12755	9.4
202.37889	1.2
207.13835	27.3
213.16328	1.4
219.10204	9.3
225.14886	15.7
237.80490	1.2
262.39407	1.1
265.08862	1.0
277.49796	1.0
293.24692	1.6
297.06030	7.1
305.24799	3.8
311.25714	1.3
315.07159	10.5
323.25760	3.2
387.42572	1.0
399.15192	1.5
539.17230	1.3
539.24115	5.5
539.31677	1.7
568.37097	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.6
55.05511	14.2
57.03435	10.7
57.07079	29.5
67.05509	31.9
69.07080	12.3
69.19679	10.4
69.20104	7.9
71.08647	12.4
74.09724	2.8
79.05072	2.5
79.05498	32.5
81.03433	2.1
81.07059	28.0
83.04971	8.9
83.08624	8.9
85.06510	3.0
85.10195	8.5
91.05476	24.8
93.07054	29.2
95.04990	7.5
95.08611	24.1
97.06534	4.0
97.10184	5.0
97.45822	2.0
102.56686	2.1
103.73166	1.9
105.07027	16.5
107.08613	8.4
109.06516	3.8
109.10181	5.6
117.07052	4.0
119.08556	10.1
120.54267	1.7
123.08057	2.5
123.11758	2.1
128.06236	2.2
129.07010	7.0
130.29478	1.9
131.08589	1.8
133.10135	6.0
133.30264	1.9
133.99069	1.8
136.70569	2.1
143.08592	3.3
147.11694	18.1
161.13281	5.1
171.11697	14.5
179.27751	1.6
189.12776	6.3
207.13802	12.2
239.23834	3.9
281.17496	47.9
281.29504	31.4
281.91199	2.4
282.27911	100.0
299.30585	23.7
310.30859	2.4
313.27417	20.9
340.67975	1.8
414.91852	2.3
478.86188	2.6
519.40503	40.8
537.53027	7.3
564.13837	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.4
54.03477	1.2
55.26979	0.4
58.06604	0.6
68.99797	2.2
70.06599	100.0
71.15781	0.9
76.89052	0.4
79.01892	0.7
79.05508	1.4
81.07040	0.9
85.01530	0.4
91.05486	1.1
93.07056	1.5
95.04992	0.8
103.05486	1.6
105.07059	1.2
107.04967	1.6
109.06496	0.7
119.04916	0.4
120.98090	0.4
121.06500	4.7
123.04436	7.3
131.04956	1.3
133.06523	0.7
135.04410	2.6
137.06018	0.5
139.03920	0.4
143.03432	0.9
145.06073	0.4
147.04430	4.4
149.06007	6.8
150.56119	0.5
153.01851	8.9
153.02979	0.7
159.04419	1.4
160.05278	0.4
161.06009	2.2
165.05518	3.2
175.07587	1.2
177.05486	69.0
189.05452	3.7
197.30405	0.5
234.11275	4.8
270.55737	0.4
293.08032	0.6
311.09189	3.9
312.09543	0.5
329.10269	2.8
368.14679	0.9
481.11337	5.5
538.17145	34.6
539.17480	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96191	2.0
53.03946	7.1
55.05511	25.1
57.03444	14.4
57.06831	2.4
57.07079	30.0
59.04994	2.5
65.03936	3.7
67.05508	61.9
69.07074	16.8
71.04994	4.4
71.08636	22.5
73.64204	1.9
74.88161	1.8
79.05496	70.0
81.03410	7.4
81.07057	50.2
83.05013	13.3
83.08607	16.9
85.06532	2.9
85.10183	13.2
91.04913	3.5
91.05479	54.0
93.07047	56.7
95.04974	17.0
95.08614	42.4
97.06519	4.3
97.10161	5.9
98.20786	4.3
105.04581	2.5
105.07046	37.6
107.04967	3.8
107.08578	12.1
109.06512	4.2
109.10183	10.5
111.08058	2.4
115.05453	2.2
117.07009	8.4
119.08597	19.8
121.10164	6.2
123.08084	5.8
123.11715	3.1
128.06192	3.2
129.07027	15.0
131.08557	2.9
133.10129	8.9
134.67050	2.1
135.11694	2.5
143.08578	9.6
145.10127	9.4
147.11699	31.7
161.13240	12.5
171.11676	22.4
189.12782	13.9
207.13824	33.3
239.23676	6.4
243.61310	2.2
245.83774	2.1
281.17484	100.0
302.00308	2.1
313.27374	52.9
484.89105	2.4
519.40491	74.6
537.42279	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	537.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.9
55.01867	5.8
55.05516	23.6
57.03432	14.0
57.07080	42.0
65.62449	3.8
67.05508	63.3
69.07058	17.7
71.08638	34.2
71.51664	3.7
73.07458	3.5
74.83605	3.7
76.27184	4.1
79.05502	68.5
81.03417	8.0
81.07058	63.7
83.04982	8.8
83.08620	23.9
85.06554	4.7
85.10168	16.6
91.05485	55.7
91.49940	3.6
93.06494	4.6
93.07053	66.9
95.04976	26.8
95.08614	49.0
97.10185	8.3
105.07043	39.3
107.04961	5.1
107.08580	15.7
109.06499	7.5
109.10163	12.5
117.07015	9.8
119.08578	27.3
121.10161	6.1
123.08067	7.3
123.11697	8.7
129.07013	14.4
133.10130	16.4
135.11664	4.5
143.08505	6.2
145.10110	12.6
147.11696	45.5
161.09711	5.9
161.13246	13.3
171.11716	32.0
189.12798	19.4
207.13860	32.4
239.23842	5.8
263.80786	4.2
281.17496	69.0
300.06354	5.3
313.27402	65.8
323.82559	4.6
519.33362	5.5
519.40594	100.0
537.24652	4.8
537.42053	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	537.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.2
55.05517	25.6
56.76826	4.6
57.03432	15.0
57.07078	52.1
65.03924	7.4
65.76147	3.9
67.05180	6.2
67.05511	82.5
69.07066	24.7
69.82270	8.3
69.82664	12.1
71.05012	5.6
71.08632	30.5
73.04767	4.4
79.05495	82.6
81.03419	7.4
81.06650	5.7
81.07063	56.5
83.04989	19.6
83.08614	20.7
85.06525	4.3
85.10188	18.0
87.41790	4.4
91.05466	61.3
93.07050	74.3
95.04976	23.7
95.08613	57.5
95.53838	3.5
97.06516	7.5
97.10166	12.3
105.07026	54.6
107.08584	22.8
109.06528	11.2
109.10175	22.5
117.07002	13.5
119.08572	39.7
121.06545	5.1
121.10136	8.6
123.08040	5.6
125.37164	4.4
128.06194	3.9
129.07016	16.3
131.08563	16.8
133.10155	27.0
135.11681	9.2
143.08574	18.4
145.10164	22.4
147.11685	42.1
157.10204	8.7
159.11674	9.2
161.13297	12.7
167.05545	4.6
171.11742	28.4
173.13249	5.3
175.14862	6.3
187.14838	7.0
189.12726	15.1
197.13081	4.8
207.13785	31.0
211.14799	5.1
239.17700	5.2
239.23837	7.9
281.14313	4.8
281.17468	100.0
282.27765	5.5
299.06073	6.5
300.06110	4.2
313.27371	51.6
519.40424	85.2
537.41455	7.3
537.50690	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	536.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.2
57.80948	1.9
60.08156	5.7
67.05499	5.5
69.81283	10.4
70.96045	1.8
71.07381	2.4
73.04740	2.1
79.05508	2.7
81.07047	5.5
83.08610	2.7
86.09711	31.8
91.05798	2.0
93.07001	1.9
95.08611	2.7
98.20827	2.6
98.98464	3.8
104.10768	2.6
105.07001	2.6
119.78323	1.6
124.99985	19.8
135.05309	1.7
145.22125	1.9
161.34914	1.8
167.05595	5.4
184.07350	100.0
219.17418	2.8
234.42268	1.7
299.06183	7.2
315.16760	1.6
427.34497	2.6
474.31329	2.1
501.37805	3.0
536.37073	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	536.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	29.8
57.07065	21.7
60.08155	12.7
67.05508	27.9
69.07067	28.4
70.55784	6.6
71.04979	8.5
71.07371	12.6
71.08642	13.9
79.05490	18.3
80.42799	6.5
81.07049	42.8
83.08620	19.1
86.09721	70.3
89.06042	10.2
93.07056	17.1
95.08630	31.3
97.10165	17.3
98.20780	26.5
104.10741	94.3
105.07066	11.0
107.08601	12.9
109.10149	21.6
121.10098	18.0
123.11749	14.9
125.00021	31.9
133.95593	8.0
135.11707	13.4
167.05556	17.4
184.07347	100.0
187.85896	7.2
229.18326	7.7
243.80290	7.2
247.37328	6.9
281.05212	8.0
299.06155	43.8
339.28809	8.2
371.31427	11.6
409.33075	23.7
410.95813	7.7
415.03635	10.2
427.34433	27.3
501.37878	55.9
518.35724	8.6
536.37012	31.3
562.08350	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	536.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
56.05021	0.5
58.06617	0.5
60.08167	5.3
67.05505	1.2
71.07384	2.3
71.51113	0.6
73.04762	0.6
73.94194	0.4
81.07039	1.3
84.04501	0.5
84.08131	1.1
86.09711	30.0
91.05807	1.4
93.99867	0.4
98.98479	3.5
104.10753	5.3
107.08572	0.7
120.08077	0.6
121.06559	0.5
124.97359	0.4
125.00016	19.4
167.05528	1.6
184.07355	100.0
283.03119	0.6
299.06146	3.2
344.97385	0.5
500.31152	0.6
518.32416	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	536.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.2
57.03466	0.6
58.06596	1.2
60.02246	0.6
60.08166	14.6
62.21544	0.6
65.03953	0.7
66.95876	0.6
67.05508	4.2
69.07072	1.1
70.70029	1.0
70.70374	1.2
71.07378	6.9
71.08627	1.4
73.04766	1.4
79.05505	2.6
81.07040	2.9
81.36925	0.6
83.04971	0.6
84.06751	0.6
84.49908	0.6
86.09708	50.4
87.10067	0.7
91.05437	0.8
93.07040	3.2
95.08614	2.2
98.98454	4.5
104.10748	85.1
105.07018	0.8
107.08599	1.9
108.05064	0.6
109.10188	1.1
119.08604	1.0
120.25061	0.6
121.10147	1.3
125.00011	30.5
127.00433	0.8
131.08546	0.8
133.10083	0.7
135.11655	0.9
161.50412	0.6
161.54903	0.6
167.05539	2.2
179.14313	2.0
184.07346	100.0
185.07649	2.4
186.07787	1.1
239.09360	0.6
258.11118	1.0
277.21616	1.4
299.06174	4.6
331.99637	0.6
344.97714	0.8
347.78976	0.6
351.25336	4.3
356.43491	0.7
375.46564	0.7
415.03561	1.1
452.37918	0.7
455.56927	1.0
500.31381	7.2
518.32501	33.7
536.28503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45292	5.0
53.03938	7.8
54.96219	5.2
55.05505	15.7
57.03444	5.4
67.05507	34.0
69.03413	14.5
69.07066	50.5
70.06602	11.9
70.75546	13.3
71.04995	11.7
72.08156	6.4
73.04749	9.7
79.05495	19.5
81.06596	7.0
81.07064	81.9
83.08635	9.0
84.08136	29.9
85.02901	13.8
90.18255	5.4
91.05478	18.1
92.71260	5.9
93.07058	59.3
95.04983	30.2
95.08601	55.9
97.06516	9.2
97.10152	14.5
105.07033	33.7
107.08616	43.4
109.06524	11.5
109.10158	78.4
111.08066	7.0
111.11722	9.0
119.08590	26.2
120.08083	14.4
121.06496	12.9
121.10139	55.3
123.11729	34.3
127.03963	7.3
129.10294	7.6
131.08539	9.8
132.04468	41.7
132.83804	5.3
133.10153	16.6
134.31923	5.6
135.11711	25.7
137.05930	8.4
137.13260	11.3
139.03929	12.5
140.93230	5.7
145.10172	13.1
147.11719	18.3
149.13278	13.2
151.11163	13.6
153.01842	6.9
159.11722	13.6
161.13232	11.0
163.11189	9.2
163.14787	5.7
164.07065	24.3
167.05550	22.5
172.07707	5.6
173.13286	10.4
175.14859	10.1
177.12717	5.6
179.10762	7.1
187.14824	8.1
229.14308	9.7
257.22644	8.1
275.23721	18.2
285.22385	8.1
293.24710	8.8
299.06143	35.2
303.20074	8.8
303.23215	100.0
303.26489	10.5
309.24332	7.7
321.24277	93.1
339.25317	36.4
342.95285	6.0
344.97894	10.6
415.03568	9.0
461.23212	5.6
482.19128	6.9
537.26215	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	535.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52858	1.6
53.03939	5.5
55.01865	5.0
55.05279	2.1
55.05505	11.7
57.03440	23.6
63.37471	1.8
65.03940	2.8
67.05512	37.2
68.99802	2.4
69.03419	7.3
69.07077	16.8
70.06574	4.3
71.01360	19.5
71.04988	4.6
71.50731	2.6
72.04520	2.8
73.02567	1.9
73.02925	21.4
73.06570	2.4
75.04472	3.8
79.05062	2.5
79.05499	24.0
81.03410	2.5
81.07065	100.0
83.01360	3.5
83.05003	10.0
83.08623	7.1
84.04510	2.4
84.08128	5.6
85.02430	2.9
85.02916	38.0
85.06533	7.9
87.04487	2.1
91.04975	3.1
91.05490	36.9
93.07068	17.5
95.01333	19.7
95.04964	8.4
95.08614	27.2
97.02879	9.6
97.06530	11.4
97.10175	2.3
99.00828	4.1
99.04488	2.4
99.08088	5.0
100.63325	1.8
101.02373	5.3
102.03783	4.8
103.03949	7.7
105.07041	47.8
106.07394	2.2
107.04961	12.0
107.08594	19.5
109.02840	2.0
109.06503	5.4
109.10146	5.0
111.08095	3.4
113.02387	17.2
113.06007	2.7
119.08590	37.5
120.08060	2.9
121.06509	3.6
121.10159	25.5
122.44994	1.8
123.08075	5.4
123.11709	29.4
125.09596	2.3
127.07543	4.4
129.06973	4.9
131.03392	6.8
131.06424	2.8
131.08511	3.3
132.04773	2.3
133.06508	3.3
133.10149	6.3
135.04462	13.9
137.05991	3.7
137.09619	1.8
137.13269	5.1
141.01833	29.6
141.08990	1.6
145.10114	5.8
147.04433	2.6
147.11703	92.4
149.06287	3.5
149.07439	22.8
151.03931	3.6
153.01814	7.8
153.02888	1.9
157.10155	4.0
159.02899	4.8
159.05891	1.7
159.11679	3.5
161.06053	2.0
163.03894	21.0
164.04645	1.7
165.09094	2.1
165.12778	54.1
173.09660	4.2
175.11209	9.5
183.13840	7.1
193.12212	8.2
197.55861	1.4
207.13837	2.1
211.13354	2.5
215.05531	4.6
215.10609	3.2
216.11122	2.3
229.14323	29.3
233.11865	1.9
234.12030	2.2
257.08154	16.4
261.12738	9.0
267.15948	85.7
285.16995	63.3
317.97861	2.0
341.19553	20.5
359.20663	32.5
379.15726	1.9
425.18173	2.2
443.19229	2.0
517.22668	1.8
535.23401	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	534.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.05512	8.5
55.06928	0.6
56.05038	4.7
57.07078	5.4
58.06596	0.7
60.04519	3.6
63.60635	0.7
65.03940	1.1
67.04247	1.1
67.05509	15.9
68.05046	0.9
68.05820	0.8
69.06744	0.6
69.07076	9.2
70.06577	2.2
71.08614	2.2
71.51550	0.5
71.51936	0.7
71.66583	0.6
76.95340	0.7
79.05495	12.4
80.05025	3.5
81.03410	0.7
81.05797	1.8
81.07065	15.3
82.06591	7.7
82.07383	1.2
83.05000	0.7
83.08620	7.3
83.72480	0.6
91.05482	12.1
93.07047	13.1
94.06578	17.7
95.04971	1.4
95.07349	6.9
95.07909	0.7
95.08032	0.9
95.08615	11.3
96.08138	4.6
97.06506	0.7
97.10164	3.0
100.07628	0.7
105.07056	6.1
107.08599	6.7
108.08094	2.3
109.10156	4.4
111.11725	0.7
111.17108	0.6
115.52312	0.6
117.07001	1.0
118.33466	0.6
119.08601	5.5
121.10143	6.2
122.09654	2.5
123.11685	2.6
131.08543	0.7
133.10156	5.0
135.10545	1.0
135.11694	4.8
136.11163	0.9
137.13249	0.8
147.11716	2.1
149.13264	1.9
156.16188	0.6
191.17934	0.7
192.42374	0.6
201.23302	0.7
219.21161	0.9
233.22726	3.7
237.06618	0.6
245.22749	4.2
250.05107	0.7
250.25327	9.4
262.25317	100.0
272.25873	5.3
280.26361	10.1
292.91156	0.6
318.77066	0.7
335.81360	0.7
359.51260	0.7
390.21918	0.7
504.47693	2.1
516.47821	6.6
534.42822	4.0
534.49030	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	534.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.1
53.06827	4.2
55.05529	23.4
55.71290	5.8
56.01074	4.3
56.85702	4.1
57.03440	7.2
57.07077	12.5
60.08186	4.3
61.02930	5.1
67.05515	79.5
69.07063	27.1
69.33534	36.7
71.08633	6.6
79.05493	24.1
81.07061	100.0
83.08652	24.2
85.02918	5.3
86.09717	21.7
91.03955	5.9
91.05485	13.6
93.07047	38.2
95.08607	88.0
97.02888	4.9
97.06525	8.4
97.10185	15.0
104.10767	27.9
105.07019	15.2
107.08587	21.3
109.10163	38.5
116.43625	5.0
119.08583	13.0
121.10136	18.2
123.11698	16.6
133.10133	14.4
135.11714	14.1
137.13229	10.9
141.12778	7.0
147.11713	8.8
149.13266	12.4
151.11240	5.3
155.14307	5.0
161.13261	21.1
163.14865	9.7
165.12695	4.8
165.16403	5.3
175.14880	13.0
177.16483	5.8
179.18001	7.6
184.07426	28.8
184.08784	5.0
189.16302	5.8
245.22691	57.5
263.23703	77.8
280.96246	4.8
299.12592	5.0
337.27371	58.1
342.23074	4.4
355.28314	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	534.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	24.7
57.03419	6.7
57.07064	11.3
61.02922	6.7
61.15099	2.8
62.19629	2.8
67.05511	89.4
69.03419	12.3
69.07082	31.8
71.04974	3.3
71.08605	8.4
71.51296	4.1
79.05499	30.8
81.03407	5.9
81.06590	5.3
81.07064	100.0
83.04976	4.0
83.08633	16.3
85.02885	7.7
86.09718	4.7
89.06014	4.2
91.05489	20.2
93.07049	34.1
95.08614	85.0
97.02880	5.7
97.06534	5.6
97.10168	14.4
104.10751	7.1
105.07053	18.7
107.04949	4.0
107.08632	20.4
108.81551	3.2
109.09585	3.4
109.10172	36.7
111.11717	6.0
114.92850	3.9
117.06992	4.4
118.22365	3.0
119.08571	10.9
121.10149	28.0
123.11718	16.3
125.09584	3.4
129.25806	3.3
131.08574	7.2
133.10158	15.5
135.11681	12.3
136.81468	3.6
137.13255	9.2
147.11700	8.2
149.13269	14.5
151.14841	3.3
155.14301	4.3
157.10254	3.1
159.11749	3.1
161.13231	10.7
163.14828	10.8
165.16373	4.3
174.60478	3.9
175.14838	11.0
179.17894	6.2
189.16336	4.0
195.56705	3.8
210.04829	3.6
212.74928	3.5
227.20059	6.5
245.22661	54.6
263.21112	6.4
263.23721	76.8
337.27423	29.8
371.26019	8.4
372.93961	3.7
389.26736	6.1
402.48889	3.5
407.27716	7.4
425.28696	6.0
525.79565	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	534.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84477	0.6
55.05507	0.8
56.05035	1.3
58.06613	1.5
60.08167	19.0
60.83237	0.5
62.64788	0.4
67.05510	1.9
69.07069	0.9
69.40809	1.1
69.41216	2.7
70.06593	0.7
71.07376	6.7
71.58903	0.5
79.05489	1.6
81.07058	1.6
83.04974	0.5
83.08614	0.6
86.09709	53.5
91.05492	0.8
93.07042	2.4
95.08601	1.0
98.98463	4.1
104.10747	100.0
105.07060	1.7
107.08617	0.7
109.10153	0.6
119.08598	0.8
121.06499	0.5
122.76584	0.6
125.00008	28.7
131.08597	0.6
133.10152	0.5
145.10179	0.5
180.10307	0.6
184.07349	94.9
218.43602	0.5
258.11011	1.4
301.10764	0.5
302.47568	0.5
483.18982	0.6
498.29712	7.2
516.30878	32.2
534.33820	0.7
545.27765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.9
55.05507	19.7
55.88661	6.2
67.05502	38.1
69.03411	20.3
69.07060	31.1
70.06594	9.4
71.04974	17.5
71.51598	9.7
72.39710	7.4
73.15884	6.9
73.55208	5.8
79.05482	31.2
81.07062	82.0
83.04979	15.0
83.08625	11.2
85.02903	17.7
91.05472	26.7
92.40082	6.2
93.07059	77.3
95.04982	61.2
95.08615	49.2
97.02879	13.9
97.06545	16.8
97.10164	17.8
105.07047	53.2
107.08608	53.1
107.95054	6.6
109.02866	6.8
109.06538	18.8
109.10158	70.1
110.06377	6.1
116.07077	7.7
117.05539	14.6
117.07030	7.5
119.08579	40.2
121.06519	17.4
121.10131	51.1
123.08073	14.7
123.11690	47.4
125.09654	18.5
127.11221	14.9
131.08600	12.9
133.10133	39.8
135.08131	6.8
135.11694	26.5
137.09644	27.3
139.11201	9.1
141.01773	7.2
143.08507	10.8
145.10118	18.3
147.04420	10.3
147.11702	32.7
149.09607	23.4
149.13286	9.6
151.11205	52.0
153.01915	7.1
155.10599	15.1
157.10115	10.3
157.12247	7.8
159.11679	27.8
161.09644	10.4
161.74216	6.3
163.11188	11.3
165.09175	11.4
165.12711	8.5
169.12265	7.2
173.13269	9.3
175.11169	12.7
177.05489	11.1
179.10730	13.9
185.13318	7.4
187.14824	7.7
193.12251	9.0
215.12747	11.5
215.36655	8.4
265.01849	7.4
273.22012	8.9
283.20517	15.2
291.23151	9.5
301.21661	97.9
307.22458	13.2
319.22659	96.0
325.23645	14.2
337.23746	100.0
355.24771	28.4
378.92786	8.0
422.26306	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	534.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69996	0.2
55.05522	0.3
55.06194	0.2
56.05033	0.4
56.61834	0.2
58.06614	0.3
60.08166	6.5
65.48104	0.2
67.05505	0.4
70.06579	0.2
70.91166	0.3
70.91515	0.4
71.07377	3.3
72.88557	0.2
79.05470	0.4
81.07059	0.3
84.89576	0.2
86.09706	31.3
91.05488	0.3
93.07050	0.6
95.08573	0.2
98.98468	3.1
104.10747	3.9
104.65379	0.2
125.00008	23.8
134.18349	0.2
161.84138	0.2
182.78735	0.2
184.07343	100.0
185.07687	0.4
188.01982	0.2
258.10913	0.3
380.47018	0.2
457.66672	0.2
465.11502	0.2
482.74408	0.2
498.29538	0.5
516.24011	0.2
516.31036	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	534.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.01872	2.9
55.05502	2.0
66.32092	1.5
67.05489	5.5
69.03425	6.8
69.07069	3.6
70.12826	1.7
71.04996	3.3
71.21883	1.5
71.50819	1.8
74.89146	1.2
79.05500	12.7
81.03397	4.1
81.07059	5.7
83.05003	9.6
85.02919	7.9
91.05482	11.2
93.07057	16.7
95.04967	8.4
95.08607	3.8
97.02896	4.6
97.06541	10.7
99.04470	8.6
105.07031	57.7
107.04952	4.5
107.08588	14.7
109.06508	2.9
111.08076	2.3
113.06017	1.6
115.05412	1.9
117.07037	6.6
117.13771	1.5
119.04940	3.1
119.08554	4.7
121.06509	30.6
121.10188	1.8
123.45750	1.6
125.05996	5.9
127.03983	2.4
129.07047	4.0
130.07790	3.1
131.08582	10.4
133.06482	16.7
133.10121	7.7
135.08046	4.9
137.05978	2.2
139.07521	2.4
141.06963	3.0
143.07045	7.7
143.08568	6.0
144.09334	2.9
145.04933	1.8
145.06499	7.0
145.10124	53.5
146.07336	1.9
147.08020	3.4
151.07564	3.5
153.01837	2.8
154.07777	2.4
155.08560	6.9
157.10237	2.0
158.07298	13.0
159.08054	10.7
159.11694	29.4
161.09644	11.1
169.10110	6.2
171.08031	3.7
172.08835	4.7
173.09628	100.0
179.08572	3.7
180.08788	1.5
182.07207	2.4
187.11176	39.3
189.09171	2.2
191.10701	2.8
197.09613	10.5
205.12241	42.5
215.10669	66.8
233.11732	67.1
251.12784	20.5
309.13315	3.8
337.12756	14.9
339.09875	1.6
355.13898	2.4
406.86169	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
56.05027	1.6
57.07067	0.6
58.06604	1.8
60.08167	17.8
62.05396	0.5
67.05497	1.9
67.71992	0.5
69.42304	4.3
70.06612	0.7
71.07381	6.8
71.08622	0.9
79.05493	1.1
81.07072	2.0
86.09709	51.0
91.05485	1.1
93.07037	1.4
98.98467	3.4
104.10748	100.0
105.07056	0.8
107.08629	0.8
119.04354	0.5
119.08556	0.6
125.00006	26.7
134.05960	0.6
149.02364	0.9
151.11226	1.1
163.11211	0.7
167.46855	0.6
179.14316	1.3
180.10223	1.2
184.07346	83.4
184.21205	0.6
258.11115	0.8
347.14655	0.6
351.25052	0.8
409.76028	0.6
516.30908	6.7
534.31921	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	534.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.6
57.03429	0.3
58.06364	0.3
58.06607	0.5
60.08167	6.8
60.48354	0.2
60.97040	0.2
65.03957	0.2
67.05505	0.6
68.22708	0.2
69.07076	0.3
70.06600	0.4
70.26541	0.5
70.26947	0.8
71.07378	3.8
79.05497	0.8
80.27161	0.3
81.07059	0.5
86.09711	34.1
91.05485	0.5
93.07012	0.4
95.08636	0.3
97.74348	0.2
98.21369	0.3
98.98479	2.9
104.10748	8.2
105.07057	0.3
125.00010	22.6
163.74409	0.3
173.08026	0.3
184.07347	100.0
185.07602	0.5
229.42702	0.3
378.23322	0.3
516.30701	1.2
534.31805	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97939	0.6
55.01882	0.9
57.07058	2.2
59.04982	2.0
67.05482	2.1
68.05011	0.8
69.03419	1.6
69.07057	2.1
70.02951	1.4
70.06600	4.8
71.04989	1.1
71.51144	1.2
72.04514	6.8
72.08151	0.7
73.02908	2.2
74.02421	0.9
76.31253	0.5
79.01857	1.6
81.03427	2.8
81.07043	0.9
81.75946	0.6
83.05000	1.1
84.08176	0.7
85.02885	1.6
85.06548	3.6
86.09693	1.5
87.08106	1.0
89.06011	1.3
90.05558	48.6
95.04956	2.7
96.08131	1.0
97.02888	2.0
98.02422	7.5
99.04454	0.9
100.03954	0.8
103.03932	0.7
103.07621	2.9
103.84885	0.7
107.01319	1.1
109.02909	1.7
109.59864	0.6
113.06007	1.5
114.05527	0.7
116.03444	7.1
116.07085	1.7
116.09100	0.6
122.09661	0.6
122.28971	0.6
124.07585	9.5
125.02330	0.9
127.03921	3.2
139.03911	1.6
142.08623	4.0
143.03401	2.0
146.70462	0.6
148.07391	0.7
153.01840	32.3
153.02930	1.5
154.08641	1.8
154.69402	0.7
160.09633	1.4
163.03984	0.7
166.08632	1.0
171.02853	2.9
174.11235	1.7
182.08237	0.6
184.09689	10.2
196.13344	38.1
202.08855	0.8
202.10741	17.2
220.11810	100.0
221.12225	1.1
297.06018	1.7
315.07101	2.1
334.16168	0.7
366.19064	4.1
490.74295	0.8
534.23608	5.3
538.52087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	43.0
55.05272	4.7
55.05518	58.1
57.03430	6.5
57.07056	6.8
57.15908	3.9
62.52348	4.3
65.03931	7.0
67.05507	88.3
69.03423	6.8
69.07072	45.9
71.02721	10.3
71.04990	6.1
74.94005	4.3
79.05498	48.3
80.02180	5.2
81.03426	4.9
81.07061	100.0
83.04972	14.5
83.08619	33.9
85.06535	9.9
87.04455	6.2
91.05484	74.0
93.06496	4.6
93.07048	63.9
95.04980	11.6
95.08604	61.8
97.06544	60.8
97.10165	25.0
105.07033	65.8
107.04956	9.2
107.08608	50.6
109.06524	7.2
109.10159	27.2
111.04411	6.4
111.08076	8.5
117.07023	29.6
119.08587	53.7
121.06492	11.3
121.10138	25.9
123.08072	9.7
123.11699	13.8
125.09649	19.8
128.06294	6.4
129.07008	24.0
131.08592	53.9
133.10168	37.4
135.08038	15.4
135.11696	20.8
141.06960	7.7
142.07761	5.5
143.08585	24.7
145.10127	36.8
147.08018	9.3
147.11671	27.9
149.09605	10.2
149.13304	5.5
151.07617	4.8
151.11206	8.5
153.09123	8.5
155.08527	14.1
155.76662	4.0
157.10097	31.3
159.08069	7.1
159.11674	23.9
161.13234	10.9
163.11154	4.9
165.12753	8.4
167.08572	10.1
169.10135	17.7
171.11687	19.8
173.09647	6.3
173.13261	12.3
175.11172	5.7
177.12862	6.7
181.10185	6.8
183.11729	13.6
185.09665	6.7
185.13281	9.3
187.14828	9.2
189.11263	5.9
195.11620	8.9
197.13248	16.5
199.15002	10.2
203.12608	5.8
209.13264	7.6
211.14832	9.0
261.18515	6.1
275.20090	18.4
289.21542	13.6
291.19705	6.0
301.21463	7.6
315.23141	12.9
327.22849	7.4
331.26273	4.8
333.24356	7.5
339.23303	9.1
353.24539	8.0
357.24326	6.4
389.26718	9.8
403.28320	6.3
403.74411	5.2
423.32611	6.4
433.30838	20.5
451.32074	19.8
465.33652	9.7
469.33362	12.0
483.34470	28.7
497.36298	12.5
501.35471	15.4
515.37219	44.8
533.38916	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	533.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
53.47851	0.9
55.05513	9.7
57.03432	4.0
57.07071	2.5
65.03942	1.6
66.78094	1.1
67.05509	35.3
69.07071	9.4
69.76800	4.7
71.04998	3.0
71.08630	1.4
71.40329	0.8
75.26040	1.1
79.05496	19.5
81.03426	3.6
81.06586	2.0
81.07061	32.4
83.08628	5.7
85.06557	2.5
87.42879	1.1
91.05485	16.3
93.06480	1.5
93.07047	20.0
94.07379	1.1
95.04971	3.2
95.08611	20.5
95.09173	1.6
97.06538	2.8
97.10168	3.4
99.24619	1.0
105.07032	12.6
107.08602	13.4
109.10172	13.4
111.08117	1.2
117.07055	3.3
119.08592	12.6
121.10151	7.3
123.11732	3.0
125.09655	2.0
131.08592	8.3
133.10118	11.1
135.11711	11.6
141.06979	1.2
143.08572	3.8
145.10124	7.7
147.11737	6.7
149.09624	1.6
149.13286	4.1
151.11252	1.8
155.08626	1.4
157.10173	1.4
159.11708	4.2
161.13246	5.1
163.11185	1.6
163.14844	1.6
171.11673	1.8
173.13301	3.8
175.14893	2.5
181.12285	1.9
183.11629	1.2
185.13251	1.6
187.14833	2.0
193.12308	2.9
213.16451	1.0
229.14288	1.5
233.19180	1.2
243.15926	1.6
247.20746	1.6
253.14403	2.0
255.15887	5.5
259.20584	2.5
261.22095	5.6
273.22244	3.1
286.13351	1.0
287.20633	0.9
287.23804	4.0
313.25485	1.2
333.24371	1.1
335.25787	2.9
387.16214	1.9
388.16904	1.3
389.17990	1.6
401.17618	3.4
402.18637	3.5
403.19174	6.4
415.19827	1.5
416.20438	1.5
417.20831	7.2
418.21344	1.9
423.32739	4.2
429.21390	1.1
430.17725	2.6
431.18048	8.6
432.23557	1.5
433.24106	11.8
441.33633	3.3
445.19626	10.0
446.21225	4.5
459.15695	1.2
459.21906	3.7
459.34891	4.4
460.22562	16.9
461.23212	10.4
473.23630	4.2
476.26306	1.8
515.37360	20.1
518.23206	2.0
533.25549	100.0
533.37421	12.6
534.25885	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	533.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.05507	0.5
57.03446	0.4
65.03931	1.3
67.05495	1.3
69.03426	3.3
69.07056	0.8
70.06587	0.4
70.31130	1.1
79.05480	1.0
81.03422	2.9
81.07059	1.9
83.04977	0.5
83.08613	0.4
85.02899	1.6
86.09705	0.5
91.05483	9.1
93.07035	1.7
95.04967	1.0
95.08607	1.4
97.02900	1.0
99.04439	0.6
105.07033	1.9
107.08598	1.3
109.02891	1.5
109.10169	0.9
111.04433	0.4
111.08097	0.6
115.74757	0.4
119.04945	20.7
119.08584	1.5
121.10160	1.1
123.04414	0.8
123.08037	0.6
123.11665	0.6
125.09661	0.4
127.03930	0.7
133.06509	0.6
133.10144	2.2
135.11682	0.5
137.06010	0.4
137.09566	1.6
139.03928	0.9
139.11151	0.8
145.05089	0.4
145.10091	0.7
147.04414	100.0
147.11699	1.1
148.04843	0.6
149.09570	0.4
151.07591	0.8
153.01834	1.3
159.11642	0.7
161.13274	0.9
163.03918	0.3
165.05489	4.2
165.09224	0.6
175.11320	0.4
189.12791	1.4
207.13808	3.2
213.03979	0.4
225.14886	0.9
283.06531	0.4
287.05536	0.4
291.08670	3.2
309.09717	3.5
335.22330	0.6
403.13269	0.6
468.63818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17530	0.5
54.65986	0.4
55.01864	1.9
55.05483	0.4
58.00257	0.4
59.05009	3.9
59.41519	0.4
61.00862	0.5
61.01150	2.2
61.07944	0.4
65.13200	0.5
67.05489	1.1
68.99802	2.7
69.03424	0.7
69.07053	0.8
69.37046	1.7
69.37456	1.8
71.01344	0.4
72.04523	4.4
78.03791	3.4
79.05492	0.9
81.03390	0.5
81.07063	1.8
85.06574	0.8
86.06060	0.9
88.02240	2.8
89.06042	1.3
91.05481	1.5
93.07056	1.4
95.04973	1.3
95.08596	1.2
97.06531	0.6
97.88851	0.4
98.02424	0.7
98.06042	1.1
99.05579	1.5
102.03790	4.7
103.07642	0.7
105.07041	0.7
107.04956	1.2
107.08605	1.2
109.10181	0.6
113.06039	0.8
114.03719	0.6
115.08696	1.3
117.09135	1.2
117.41013	0.4
119.08562	0.9
121.02885	0.6
121.10164	0.8
124.07604	0.8
128.06163	1.0
128.29895	0.5
129.07007	2.3
130.08685	0.5
131.06401	2.5
131.08592	1.3
132.04797	5.7
133.02849	0.7
139.03909	1.2
142.08655	2.5
143.08638	1.3
145.10083	0.6
149.07452	20.5
152.06190	1.4
153.01823	1.9
153.07001	5.3
157.06499	7.2
159.05870	2.0
159.07918	0.5
165.07097	1.0
171.08084	2.3
175.05324	0.7
178.04994	3.4
181.06496	13.8
184.05127	0.6
184.09715	1.0
185.06018	3.6
187.07594	1.7
197.06033	0.6
199.07550	7.4
209.05927	4.4
210.06773	0.7
213.05455	6.9
226.06210	0.8
227.04774	0.8
227.07039	16.6
237.05386	2.6
243.11700	1.0
255.06543	100.0
256.06882	1.2
261.12704	31.0
283.17447	0.7
284.09164	3.5
326.10245	8.1
403.13254	2.2
515.18317	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.1
54.92896	2.1
55.01875	4.9
55.05271	3.9
55.05516	47.8
56.05832	4.2
57.03438	21.1
57.07077	19.6
57.32421	2.0
58.03778	3.6
58.07426	5.2
65.03935	5.5
65.48009	2.5
65.49091	2.2
67.05509	95.7
68.05843	18.9
69.07074	48.6
69.52253	5.0
69.52653	14.0
70.07404	7.0
71.04993	5.7
71.08643	11.3
75.04472	3.4
79.05501	61.9
80.05836	9.7
81.03419	5.1
81.07062	94.4
82.07392	18.7
83.04986	6.4
83.07787	2.5
83.08634	31.8
84.08962	5.3
85.06554	5.6
85.10184	8.0
86.06872	2.1
91.05489	45.5
92.05817	5.1
93.07047	72.1
94.07377	15.2
95.04976	6.5
95.08613	62.8
96.08932	13.7
97.06526	11.0
97.09258	2.4
97.10173	18.2
98.06871	3.8
98.10515	4.2
99.08078	4.6
103.63329	2.5
105.07036	48.1
106.07415	2.9
107.08606	44.0
108.08935	8.1
109.10173	27.8
110.10510	6.5
111.08094	7.0
111.10837	2.3
111.11707	4.5
117.07068	15.1
119.08593	33.1
120.08939	3.6
121.06512	2.4
121.10146	31.0
122.10503	8.4
123.11724	9.1
124.12054	2.6
125.09633	5.6
128.06271	3.7
129.06998	10.3
131.08565	30.2
132.08844	4.0
133.10138	30.1
134.10469	4.4
135.08093	3.0
135.11696	27.1
136.12082	4.6
137.09717	2.5
137.13268	2.7
139.11230	3.2
141.06981	3.3
143.08574	13.5
145.10124	30.0
146.10443	2.5
147.11702	19.5
149.09621	3.7
149.13264	14.8
150.13614	7.7
151.11237	3.3
155.08553	8.8
157.10091	13.4
159.11700	26.6
159.12859	2.5
160.12122	4.5
161.13257	16.6
163.11192	3.6
163.14861	4.8
167.08574	2.6
169.10219	7.2
171.11748	17.0
173.13280	12.9
175.14890	6.6
181.10123	3.3
181.12192	2.7
183.11734	7.6
185.13297	11.9
187.11305	2.6
187.14871	10.2
197.13347	7.5
199.14862	5.8
209.13345	4.3
211.14822	4.9
223.14783	3.5
231.21164	3.8
241.19601	11.9
253.14528	5.0
255.15817	11.9
259.20642	20.7
315.23422	3.0
327.23407	2.7
333.24298	9.6
363.32693	4.8
364.32932	6.0
365.33478	9.7
399.34958	4.4
400.35220	6.3
401.35464	18.4
403.30096	5.5
409.31244	3.9
411.32605	4.4
421.30771	11.9
439.31656	5.2
439.37506	14.2
456.37488	3.0
457.33038	8.3
457.38565	16.0
501.35352	3.0
503.37601	12.4
513.35236	41.1
531.39648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50658	0.9
56.70785	0.8
59.74246	0.8
71.50556	1.4
81.33244	0.9
84.08184	0.9
84.45698	0.9
84.96246	0.9
91.05491	1.9
115.05444	1.2
117.07026	1.0
118.06554	18.2
130.06549	1.6
132.08102	5.9
142.06555	1.5
143.07307	2.6
144.08102	12.5
146.06023	62.1
147.06369	2.2
152.92822	0.9
159.09174	5.3
165.11290	2.9
170.06012	5.3
188.07082	100.0
189.07404	3.5
190.07738	1.1
193.08130	0.9
205.09747	47.1
372.38000	1.0
542.37897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.1
54.92896	2.1
55.01875	4.9
55.05271	3.9
55.05516	47.8
56.05832	4.2
57.03438	21.1
57.07077	19.6
57.32421	2.0
58.03778	3.6
58.07426	5.2
65.03935	5.5
65.48009	2.5
65.49091	2.2
67.05509	95.7
68.05843	18.9
69.07074	48.6
69.52253	5.0
69.52653	14.0
70.07404	7.0
71.04993	5.7
71.08643	11.3
75.04472	3.4
79.05501	61.9
80.05836	9.7
81.03419	5.1
81.07062	94.4
82.07392	18.7
83.04986	6.4
83.07787	2.5
83.08634	31.8
84.08962	5.3
85.06554	5.6
85.10184	8.0
86.06872	2.1
91.05489	45.5
92.05817	5.1
93.07047	72.1
94.07377	15.2
95.04976	6.5
95.08613	62.8
96.08932	13.7
97.06526	11.0
97.09258	2.4
97.10173	18.2
98.06871	3.8
98.10515	4.2
99.08078	4.6
103.63329	2.5
105.07036	48.1
106.07415	2.9
107.08606	44.0
108.08935	8.1
109.10173	27.8
110.10510	6.5
111.08094	7.0
111.10837	2.3
111.11707	4.5
117.07068	15.1
119.08593	33.1
120.08939	3.6
121.06512	2.4
121.10146	31.0
122.10503	8.4
123.11724	9.1
124.12054	2.6
125.09633	5.6
128.06271	3.7
129.06998	10.3
131.08565	30.2
132.08844	4.0
133.10138	30.1
134.10469	4.4
135.08093	3.0
135.11696	27.1
136.12082	4.6
137.09717	2.5
137.13268	2.7
139.11230	3.2
141.06981	3.3
143.08574	13.5
145.10124	30.0
146.10443	2.5
147.11702	19.5
149.09621	3.7
149.13264	14.8
150.13614	7.7
151.11237	3.3
155.08553	8.8
157.10091	13.4
159.11700	26.6
159.12859	2.5
160.12122	4.5
161.13257	16.6
163.11192	3.6
163.14861	4.8
167.08574	2.6
169.10219	7.2
171.11748	17.0
173.13280	12.9
175.14890	6.6
181.10123	3.3
181.12192	2.7
183.11734	7.6
185.13297	11.9
187.11305	2.6
187.14871	10.2
197.13347	7.5
199.14862	5.8
209.13345	4.3
211.14822	4.9
223.14783	3.5
231.21164	3.8
241.19601	11.9
253.14528	5.0
255.15817	11.9
259.20642	20.7
315.23422	3.0
327.23407	2.7
333.24298	9.6
363.32693	4.8
364.32932	6.0
365.33478	9.7
399.34958	4.4
400.35220	6.3
401.35464	18.4
403.30096	5.5
409.31244	3.9
411.32605	4.4
421.30771	11.9
439.31656	5.2
439.37506	14.2
456.37488	3.0
457.33038	8.3
457.38565	16.0
501.35352	3.0
503.37601	12.4
513.35236	41.1
531.39648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.9
53.03945	5.1
55.01875	2.7
55.05516	53.5
56.51018	1.3
57.03447	21.4
57.07082	43.3
59.04996	2.6
60.37537	1.4
65.03951	2.8
67.05510	82.1
69.03428	2.4
69.07075	69.1
70.19004	6.0
70.42762	1.4
71.05004	3.4
71.08638	34.1
73.06569	2.3
75.04479	5.3
79.05500	47.7
81.03429	2.5
81.07064	100.0
83.04976	4.5
83.08624	54.5
85.06553	6.8
85.10193	18.6
87.04442	1.7
89.06068	1.9
91.05481	20.8
93.07052	50.8
93.07639	2.8
95.04990	3.1
95.08614	80.8
97.06530	18.4
97.10172	37.2
99.08105	3.0
105.04504	1.8
105.07050	17.3
107.08602	32.9
109.10162	38.4
109.69658	1.4
111.08093	10.8
111.11730	9.6
113.06035	3.0
113.09622	1.9
115.05487	1.7
117.07011	4.8
119.08580	10.9
121.10152	39.1
123.11713	17.2
123.39845	1.5
125.09635	9.5
125.13306	2.6
128.41708	1.5
129.07031	4.0
129.09148	2.3
131.07066	3.3
131.08578	12.4
133.10146	9.8
135.11705	28.1
137.13284	4.8
139.11197	6.7
141.06938	2.3
143.08646	4.3
143.10736	1.8
145.10130	9.2
147.11676	4.6
149.13292	18.3
151.11220	1.8
153.12776	4.1
155.08566	2.0
157.10165	4.6
157.12257	2.1
159.11787	6.8
161.13264	3.4
163.14821	7.4
165.16498	2.7
167.14360	4.3
169.10127	2.6
171.11766	4.1
171.13826	1.7
173.13254	3.2
177.16412	2.5
181.15942	3.5
183.11769	2.2
185.13333	3.5
185.15410	2.6
191.18130	2.0
195.11844	1.6
195.13860	1.8
195.17474	4.1
197.13222	2.2
205.19611	4.0
209.19112	2.2
213.18628	2.1
219.21143	2.3
223.20653	2.4
237.22083	2.4
251.23817	2.2
261.22192	2.4
265.25357	2.1
286.78510	1.5
317.32129	5.6
327.30359	1.9
335.33130	11.1
345.31549	12.9
363.32614	35.9
381.33820	1.7
399.34717	55.2
419.33704	1.8
437.36411	46.6
455.37396	48.7
473.36227	2.3
511.40143	12.9
529.39850	80.9
530.39923	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95935	1.2
52.15620	1.3
53.03938	5.1
55.01878	2.9
55.05512	54.5
57.03437	24.7
57.07079	42.4
57.62451	1.1
59.04990	1.3
65.03935	4.2
67.05506	82.3
69.03417	1.4
69.07070	65.1
71.04989	4.3
71.08635	26.1
73.06535	1.4
75.04482	5.7
77.03902	1.2
79.05495	50.2
81.07058	100.0
83.04980	5.2
83.08620	52.5
83.09125	2.0
84.89549	1.2
85.06528	4.1
85.10188	15.0
91.05482	21.7
93.07046	57.0
95.04970	3.4
95.08609	81.8
97.06517	13.7
97.10173	32.5
98.21483	1.9
99.08089	3.7
101.06046	1.6
105.04510	2.1
105.07047	13.8
107.07881	1.8
107.08600	32.7
109.06528	1.4
109.10162	32.9
111.08068	9.8
111.11727	9.9
113.05999	1.4
115.07580	1.8
117.07021	8.5
119.08593	10.0
121.10143	34.9
123.08038	1.5
123.11710	13.9
125.09639	5.1
125.13265	3.0
129.07005	4.1
131.07054	2.2
131.08577	10.8
133.10153	9.9
135.11696	23.7
137.13260	6.3
139.11179	6.5
143.08583	3.4
145.10120	9.4
147.11699	5.4
149.13269	21.1
151.14844	2.6
153.12755	6.2
155.08604	2.2
157.10135	3.0
157.12250	2.8
159.11710	7.0
161.13280	4.0
163.14848	8.1
167.14320	3.8
169.10149	2.0
171.11671	2.7
173.13246	4.1
175.14832	1.9
177.16408	3.9
181.15773	1.5
183.11710	1.9
187.14783	1.5
191.17989	2.6
195.13826	2.3
199.16953	2.4
205.19438	1.6
208.41687	1.2
209.19066	4.0
213.18507	1.8
219.21223	1.4
223.20642	2.4
227.20145	1.8
237.22214	1.2
251.23782	1.7
261.22113	2.4
263.23688	2.3
317.32117	3.5
327.30624	2.2
335.33066	11.5
345.31506	11.0
363.32568	33.1
381.33716	2.8
399.34698	46.4
437.36365	35.5
455.37363	44.5
493.34433	1.3
502.13800	1.2
511.39877	13.6
529.39807	71.8
530.39764	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	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
55.01866	2.0
55.05512	18.4
57.03428	4.1
57.07074	3.3
59.05007	1.3
65.03948	5.0
67.05508	65.4
67.40916	0.9
67.92647	1.0
69.07071	16.4
69.17502	10.2
71.04999	4.1
71.08621	1.8
77.03920	1.7
79.05495	51.5
81.03424	2.3
81.07058	63.9
82.54759	1.1
83.04976	4.2
83.08624	11.5
85.06551	2.7
91.05486	33.6
93.07046	57.9
95.04982	6.0
95.08612	32.9
97.06533	8.2
97.10186	1.3
97.64840	0.8
99.08104	1.9
105.04501	2.9
105.07040	23.0
107.08597	30.3
109.06525	3.0
109.10172	12.1
111.08099	4.7
115.05448	1.4
117.07018	10.7
119.08587	16.5
121.10152	22.3
123.08098	1.1
123.11706	3.4
129.07019	4.3
131.08582	19.8
133.10127	16.2
135.11681	16.0
137.09715	1.0
141.07014	1.4
143.08585	4.9
144.09383	1.2
145.10126	11.6
147.11708	7.8
149.09654	1.6
149.13260	19.1
151.11232	1.5
155.08585	2.2
157.10129	5.8
159.11685	14.3
161.13237	6.0
165.57161	1.0
167.14436	1.3
169.10149	3.3
171.11713	3.3
173.13269	6.8
175.14848	3.1
177.12759	3.6
181.10130	1.5
183.11684	1.1
185.13313	3.6
187.14812	3.0
195.13837	8.0
195.23372	1.1
197.13254	1.9
199.14876	1.5
201.16394	1.4
211.14891	1.4
213.14825	1.1
261.22180	4.0
299.23792	1.2
354.37619	1.2
417.76257	1.0
419.33212	3.0
437.34235	6.7
455.35510	2.2
473.36322	1.6
475.35831	1.0
511.37900	4.9
529.38904	100.0
529.51105	3.1
530.39172	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.2
55.01876	3.3
55.05516	53.3
57.03193	2.2
57.03444	28.5
57.07077	42.5
65.03934	5.1
67.05505	77.0
69.03457	1.7
69.07072	75.0
69.86032	6.5
71.04986	5.9
71.08637	30.5
71.21996	1.3
73.06566	2.2
74.35567	1.8
75.04489	6.2
79.05496	41.3
81.03407	1.9
81.07059	100.0
83.04988	5.7
83.08620	52.7
85.06551	6.9
85.10188	18.6
91.05486	22.6
93.07047	54.1
95.04979	3.9
95.08611	80.3
97.06532	18.8
97.10172	37.0
97.10785	2.4
99.08102	4.4
99.11749	2.6
101.06031	3.6
102.72697	1.6
105.07028	12.7
107.08593	34.7
109.10161	35.3
111.08089	11.9
111.11721	12.0
113.06013	3.1
115.07577	3.1
115.78026	1.5
117.07021	8.3
119.08582	11.1
121.10153	39.5
121.11037	2.8
123.11714	17.1
125.09615	7.5
125.13268	3.6
129.07031	1.8
129.09061	1.5
131.07028	8.2
131.08553	8.0
133.10179	9.1
135.11693	27.3
137.13263	6.5
139.11217	8.9
143.08571	3.1
143.10674	3.5
145.10156	6.4
147.11768	3.4
149.13261	28.5
151.14839	2.7
153.12778	5.2
157.10133	2.2
157.12224	2.4
159.02608	1.9
159.11713	7.7
161.13301	2.0
163.14832	9.8
167.14346	5.0
171.11681	1.6
171.13876	2.5
173.13306	4.2
175.14917	2.3
177.12788	2.0
177.16425	4.6
181.15854	3.7
185.15413	2.2
187.14880	2.2
191.16214	1.7
191.18016	3.9
195.13919	4.3
195.17537	2.4
199.16951	2.4
205.19615	2.6
209.19026	3.4
213.18407	2.0
223.20639	2.8
233.22585	1.8
237.22093	2.3
261.22281	3.9
279.27060	2.3
317.32071	8.9
318.70959	1.3
327.30667	4.2
335.33157	15.7
345.31519	11.1
363.32593	37.8
381.33823	3.0
399.34726	62.8
437.36307	46.2
455.37320	55.6
511.39905	22.8
529.39984	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.4
53.03950	6.2
55.01870	2.0
55.05515	24.1
55.05785	1.3
57.03442	4.4
57.07064	3.0
65.03931	4.0
67.05507	71.7
69.07071	23.6
70.76218	2.3
71.04996	4.2
71.08625	1.4
73.02898	0.8
76.06331	0.9
77.03924	1.4
79.05495	62.6
81.03408	3.0
81.07059	78.9
81.96536	0.7
83.04996	4.0
83.08619	14.0
85.06535	2.4
91.05486	38.6
92.17192	0.8
93.07047	72.4
95.04985	6.5
95.08613	39.1
95.09071	0.8
97.06542	9.2
97.10169	3.2
98.20807	0.8
99.08078	1.9
103.05476	0.8
105.04498	1.6
105.07039	23.0
105.56505	0.8
107.08602	33.9
107.33144	1.0
109.02095	0.8
109.06553	2.8
109.10158	12.1
111.08103	4.0
115.05443	1.0
116.06218	0.9
117.07013	12.8
119.08582	16.7
121.10148	26.4
123.08048	1.1
123.11709	3.7
129.07010	4.4
131.08560	18.3
133.10143	16.0
135.08035	1.3
135.11694	14.3
141.07042	0.8
142.07719	1.1
143.08562	4.5
145.10130	11.4
147.11714	5.9
149.13269	25.7
151.11227	1.2
155.08560	2.1
157.10117	4.4
159.11710	17.0
161.13289	5.1
169.10168	2.9
171.11674	4.8
173.13281	4.9
175.14873	1.3
177.12711	4.6
183.11752	1.2
185.13295	2.6
187.14859	3.3
189.16356	1.1
195.11975	1.2
195.13817	9.6
197.13290	2.0
199.14828	2.1
201.16356	1.4
213.14763	1.3
213.16504	1.2
223.14919	1.0
243.17722	1.0
243.21056	1.1
259.20529	1.0
261.22171	5.0
268.95438	0.9
272.14194	0.8
285.22211	0.8
318.56445	0.9
329.24768	1.1
331.76288	1.0
419.33200	1.2
437.34198	5.7
455.35281	2.7
473.36349	1.7
511.37872	3.0
529.38904	100.0
530.39288	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.8
53.87077	0.8
54.77012	0.8
55.01859	2.4
55.05507	23.8
57.03205	0.8
57.03434	6.8
57.07061	2.5
62.07158	0.9
65.03924	3.8
67.05503	76.2
69.03435	1.1
69.07070	25.5
69.26545	3.5
69.26964	4.3
71.05000	4.3
71.08630	1.1
77.03901	1.7
78.39993	1.0
79.05490	67.3
81.03418	3.4
81.07054	83.3
83.04991	7.4
83.08153	1.5
83.08617	16.2
85.06535	3.5
87.04437	0.9
91.05478	43.4
91.24628	0.9
93.07041	77.1
95.04961	8.5
95.08604	42.1
97.06528	9.3
97.10166	2.8
99.08095	1.9
102.10134	0.9
103.05408	1.7
105.04516	2.8
105.07029	26.0
107.08589	40.5
109.06504	3.8
109.10156	12.4
111.08088	5.7
117.07019	12.4
119.08578	17.0
121.06511	1.7
121.10145	26.3
123.08028	1.3
123.11722	3.7
127.22790	0.9
129.06981	4.1
131.08565	18.5
133.10127	17.4
134.13341	0.8
135.08011	1.6
135.11681	14.5
137.09654	1.2
139.11166	1.0
141.06950	1.4
143.08546	3.1
145.10124	11.7
146.63049	0.8
147.11688	7.4
149.09634	1.4
149.13254	26.2
153.80290	0.9
155.08607	1.1
157.10161	4.1
159.11700	15.3
161.13281	4.6
163.14743	1.4
169.10129	1.3
171.11665	2.8
173.13281	6.5
174.12396	0.8
175.14856	2.0
177.12752	3.9
185.13266	2.2
187.14832	3.3
195.12148	1.5
195.13802	9.7
199.14862	2.6
201.16408	1.1
205.77422	0.9
211.14796	0.9
240.70958	0.9
243.21095	1.1
258.61514	0.9
259.20679	1.0
261.22116	5.4
271.35602	0.9
317.24814	1.4
327.50894	0.8
437.34207	6.0
441.30344	1.0
455.35211	2.7
473.36768	1.4
511.37753	2.9
529.38885	100.0
530.39099	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	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.2
51.80063	1.0
53.03944	5.3
55.01875	2.2
55.05511	21.7
55.16495	1.0
57.03436	3.0
57.07072	3.8
63.28462	1.0
65.03946	3.3
67.05507	63.2
69.07069	21.0
69.51797	1.0
69.82127	2.3
69.82539	4.0
71.04991	3.6
71.73453	1.0
77.03928	1.7
79.05493	49.8
81.03401	2.6
81.07058	70.6
83.04988	2.9
83.08617	9.4
84.39382	1.2
85.06545	4.3
87.04478	5.6
91.04909	1.4
91.05481	33.7
93.07046	61.7
94.96280	1.0
95.04972	4.5
95.08609	33.9
97.06535	7.2
97.10168	3.3
98.20757	2.2
99.08078	1.5
104.05766	1.1
105.04534	2.1
105.07040	25.6
105.50105	1.0
107.04949	1.2
107.08597	29.2
109.06544	2.1
109.10165	13.1
111.08078	4.1
117.07012	11.7
119.08588	14.9
121.06515	1.2
121.10146	23.8
123.11724	3.6
125.09692	1.6
128.06253	1.2
129.07039	3.4
131.08574	21.7
133.10133	18.4
135.08073	1.2
135.11685	11.5
137.13167	1.5
143.08589	5.8
145.10123	13.4
147.11673	7.0
149.13266	16.9
155.08559	2.4
157.10168	4.1
159.11699	15.3
161.13269	5.5
163.14847	1.7
169.10173	3.5
171.11707	5.9
173.13297	4.9
175.14868	2.7
177.12798	3.6
183.11737	3.2
185.13304	3.0
187.14897	2.0
195.12097	1.6
195.13799	7.7
197.13295	1.3
199.14804	2.5
201.16347	2.0
211.14854	1.4
223.14874	1.5
239.11761	1.1
256.26416	1.3
261.22247	3.8
277.03537	1.2
419.32971	2.4
437.34161	10.2
455.35306	3.5
459.31088	1.3
473.36459	1.3
475.36661	1.1
511.37680	3.9
529.38928	100.0
530.39240	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.3
55.01851	2.2
55.05272	1.5
55.05517	23.1
57.03430	3.7
57.07071	3.0
58.72678	1.3
65.03938	4.4
67.05511	71.7
69.03431	3.6
69.07075	19.3
70.69040	2.4
70.69390	1.4
71.04990	5.2
77.03894	1.2
79.05501	64.9
81.03423	3.2
81.07064	80.0
83.05009	5.8
83.08628	12.8
85.06544	3.6
87.04485	2.0
91.05492	37.7
93.07052	69.9
95.04977	7.0
95.08611	40.2
97.06530	11.1
97.10178	3.5
99.08096	2.1
105.04528	4.3
105.07041	21.9
107.08603	37.8
109.06526	3.2
109.10157	14.0
111.08096	5.5
111.11718	1.7
117.07037	11.1
119.08579	16.0
121.10153	28.1
123.08058	1.6
123.11711	5.0
125.09658	1.4
129.07025	3.5
131.08588	18.1
133.08495	1.2
133.10152	16.7
135.08063	1.8
135.11729	15.1
139.11189	2.2
143.08583	4.5
145.10158	11.0
147.11687	6.5
149.13269	22.2
155.08568	1.8
157.10141	3.3
159.11700	14.2
161.13287	4.0
163.14809	1.4
167.08717	1.2
167.14476	1.5
169.10236	1.8
171.11732	3.5
173.13298	4.6
175.14868	2.7
177.12782	4.3
181.10120	1.8
185.13289	2.1
187.14859	4.1
195.13797	9.6
199.14870	1.5
201.16621	1.5
217.53218	1.3
243.21208	1.5
261.22198	5.1
296.31155	1.3
409.02795	1.2
437.34171	5.3
455.35532	3.8
473.36356	1.9
511.37762	2.3
529.38916	100.0
530.38983	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.7
53.03944	5.1
55.01860	1.2
55.05268	2.0
55.05514	26.1
57.03445	7.6
57.07082	8.5
65.03919	4.2
67.05506	64.7
69.07069	33.8
70.90940	1.8
70.91280	2.7
71.04993	4.4
71.08627	5.8
77.03938	1.8
79.05496	53.6
81.03409	3.1
81.07059	76.9
83.04971	4.6
83.08620	19.3
85.06552	2.7
85.10169	4.1
91.05486	34.9
93.07046	55.0
95.04979	3.3
95.08610	40.9
97.06525	7.7
97.10172	9.7
97.34501	1.3
99.08051	2.6
105.04538	2.3
105.07035	27.9
107.08604	32.5
109.10157	17.4
111.08098	6.4
111.11758	2.7
117.07028	13.6
119.08586	17.9
121.10146	20.8
123.11747	7.2
125.09608	2.4
128.06311	2.1
129.06989	3.8
131.08578	20.5
133.10130	11.9
135.11690	14.9
137.13271	2.0
139.11195	3.0
140.05785	1.3
143.08560	6.0
144.70007	1.2
145.10130	13.0
147.11693	6.6
149.12157	2.6
149.13260	18.8
151.11250	1.9
155.08597	1.9
157.10153	5.5
159.11717	15.3
160.86601	1.5
161.13309	3.3
163.14809	2.2
169.10185	3.6
171.11736	7.3
173.13228	8.0
175.14803	3.6
177.12796	2.7
178.27254	1.4
178.66682	1.5
183.11798	2.4
185.13225	4.0
187.14841	3.1
191.18066	1.5
195.11810	1.4
195.13835	5.0
197.13348	1.7
199.14771	1.9
225.16435	1.9
243.21252	2.0
261.22208	3.2
285.21945	1.6
320.17264	1.5
345.31683	2.0
363.32651	4.7
399.34738	8.5
419.33221	2.5
437.34909	11.5
455.37277	9.4
473.36240	2.0
511.38583	5.5
529.38922	100.0
530.39148	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	529.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.0
55.01871	2.7
55.05516	19.9
57.03438	5.6
57.07061	2.0
57.64581	1.0
58.61860	0.8
60.38116	0.9
65.03937	3.0
67.05510	63.9
67.75062	1.0
69.07075	19.7
70.63879	2.2
70.64225	1.0
71.05000	6.1
71.14812	0.9
77.90091	0.8
79.05499	50.5
81.03426	2.2
81.07064	73.3
83.04996	5.3
83.08626	13.9
85.06549	3.6
91.05491	36.5
93.07050	57.2
95.04966	5.6
95.08614	33.4
97.06525	8.9
97.10175	3.7
99.08125	2.3
105.04531	1.9
105.07046	24.5
107.04970	1.5
107.08606	30.2
109.06534	2.4
109.10155	11.7
111.08106	4.2
112.98256	1.0
113.09663	0.9
117.07024	13.6
119.08597	14.3
121.06519	1.7
121.10154	22.1
123.08021	1.3
123.11739	4.6
129.07028	5.2
129.51523	1.2
131.08582	20.5
132.47807	1.1
133.10143	15.9
135.11711	15.7
139.11186	1.5
143.08594	7.5
145.10141	12.9
147.11687	6.0
149.09702	2.0
149.13258	18.4
150.02927	1.1
151.11108	1.0
155.08620	2.0
157.10141	5.9
159.11702	14.0
161.13322	4.3
163.11247	1.2
167.14380	1.3
168.26886	1.1
169.10144	2.4
170.01234	1.0
171.11742	4.3
173.13257	7.4
177.12805	3.3
179.14345	1.1
181.10252	1.3
183.11673	1.9
185.13338	3.9
187.14861	3.6
195.11902	1.9
195.13837	6.8
197.13367	2.1
199.14883	1.7
200.97546	0.9
201.16415	1.7
211.14818	1.4
213.14891	1.4
237.16566	1.0
243.21407	1.3
257.19244	1.0
261.22256	2.8
275.20163	4.7
363.27023	1.1
419.33356	2.0
437.34180	9.1
455.35577	1.8
473.36557	1.7
511.37692	5.8
529.39014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	13.1
55.01873	20.5
55.05517	41.9
57.03433	9.6
57.07085	26.8
59.04996	7.8
65.03931	5.9
67.05508	100.0
69.03444	3.6
69.07071	47.6
71.04974	6.6
71.08634	33.7
71.51041	4.4
73.02912	2.7
79.05496	76.4
79.37093	2.5
81.03423	20.6
81.07059	98.9
83.04979	22.9
83.08616	18.8
85.06526	5.9
85.10182	23.7
87.04464	8.0
89.06039	45.9
91.05489	83.5
93.07051	88.5
95.01326	9.8
95.04968	19.1
95.08617	53.6
97.06541	32.4
97.10153	10.2
99.08049	3.9
103.05492	3.9
105.04523	4.5
105.07038	73.6
107.04951	21.7
107.08598	50.3
109.06535	7.5
109.10150	24.7
111.08096	8.0
113.09651	2.9
117.07025	29.0
117.09193	3.1
119.08593	44.1
121.06501	8.9
121.10143	20.4
123.04510	3.2
123.08064	2.7
123.11745	4.1
125.09649	4.7
128.06229	4.3
129.07016	10.0
131.08591	32.5
133.06505	4.0
133.08623	23.5
133.10127	47.2
135.08069	4.2
135.11708	34.9
137.09642	4.2
139.07527	4.2
141.06978	5.1
143.08575	9.1
145.10141	34.8
147.08112	3.2
147.11676	17.1
149.09644	10.6
149.13248	7.5
155.08580	5.8
157.10135	11.3
159.08081	2.6
159.11731	20.5
161.09621	2.9
161.13304	8.4
163.11237	11.3
165.09137	3.2
169.10191	5.8
171.11714	8.5
173.13295	10.8
175.11192	3.8
177.11240	11.2
177.12708	5.7
179.14288	17.3
181.12190	3.8
183.11685	4.4
185.13275	3.5
187.11166	3.8
187.14850	4.4
190.13527	2.5
193.12305	6.3
195.11739	2.7
197.13339	7.7
215.14452	2.9
221.13838	3.7
227.12801	3.9
227.31512	2.3
229.19461	3.1
239.17993	4.7
247.20567	3.4
255.15941	3.9
257.18997	9.8
275.20074	77.6
293.21301	5.4
349.23849	2.6
437.34616	5.3
511.35663	3.8
529.36511	45.5
529.37738	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	529.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.5
54.35669	6.8
55.01867	14.5
55.05514	56.0
57.03447	11.3
57.07063	12.6
61.02926	16.8
66.35214	8.1
67.05503	44.3
69.03427	12.1
69.07063	41.0
70.72103	19.2
79.05509	42.6
81.03426	17.0
81.07079	49.7
81.07456	8.5
81.92680	7.4
83.08629	52.1
89.06005	13.8
91.03939	10.1
91.05483	47.1
92.53344	8.0
93.07051	29.4
95.04936	12.9
95.08594	35.1
96.67651	7.5
97.02879	16.0
97.06517	25.6
97.10166	22.1
105.07020	45.3
107.04955	16.5
107.08572	22.7
109.10139	17.9
117.06970	11.9
119.08604	21.9
121.10169	9.2
131.08585	18.6
133.08588	13.8
133.10123	32.7
135.11646	10.5
145.10075	22.8
147.11732	15.8
158.16176	10.0
159.11691	10.0
173.13174	9.2
179.14362	8.6
208.13126	7.0
216.20343	7.4
275.20071	64.7
293.21130	26.9
349.23688	100.0
367.24927	18.9
529.35803	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.0
55.01870	9.0
55.05506	18.6
57.03434	9.0
64.17269	7.2
65.52613	5.7
66.74931	5.2
67.05509	46.4
67.76237	5.8
69.07068	25.6
71.51138	7.6
79.05487	26.4
81.03416	19.3
81.07052	42.8
83.04945	8.2
83.08624	13.8
85.02917	6.9
86.09721	6.9
91.05478	36.2
93.07047	27.3
95.01353	6.2
95.04964	13.1
95.08619	24.7
95.87656	6.2
97.02888	7.0
97.06548	35.8
97.10166	6.4
105.07024	39.4
107.04976	9.6
107.08595	14.7
109.10172	17.1
117.07010	15.4
119.08595	25.8
121.06514	12.4
121.10145	9.2
125.09643	6.4
131.08604	12.3
133.06458	6.8
133.10124	19.7
135.11684	9.7
145.10065	12.5
147.11758	10.7
149.09575	9.5
149.13284	7.5
157.10040	7.4
159.11670	8.4
173.13289	7.8
227.07120	7.2
248.46925	5.9
260.78275	6.2
275.20087	36.5
319.65915	7.6
349.23718	100.0
512.06915	6.8
538.71204	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	529.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	15.7
53.28888	8.3
55.01873	21.5
55.05520	45.7
56.96556	25.3
57.03434	20.3
57.07060	9.2
57.56455	8.6
61.02925	23.7
67.05512	71.2
68.97227	9.6
69.03428	12.8
69.07075	64.5
79.05506	57.1
80.92400	8.9
81.03413	27.1
81.07065	97.3
83.04974	12.8
83.08614	34.2
85.02901	29.1
89.06042	10.9
91.03982	9.9
91.05481	60.1
93.07043	55.5
95.04951	15.5
95.08617	53.1
97.02848	15.4
97.06551	23.1
97.10155	27.8
98.20759	28.1
105.07030	77.3
107.04972	30.1
107.08584	42.1
109.06500	9.1
109.10155	28.4
110.97552	9.7
111.08077	9.4
117.07002	19.7
119.08594	47.4
120.02988	7.4
121.06497	15.3
121.10159	24.1
125.09595	13.8
126.53979	8.8
127.03935	13.6
129.06932	10.3
131.08588	26.2
133.10132	31.7
135.11693	8.6
141.07054	8.4
145.10141	32.2
147.11691	31.5
149.09641	11.9
159.11826	12.4
163.11261	9.1
164.71532	9.3
179.14351	10.9
247.08612	11.2
257.19171	11.9
269.10608	29.9
275.20111	98.8
285.09863	9.0
293.13336	14.1
331.15866	10.4
349.16727	28.2
349.23798	100.0
365.15417	10.5
367.17953	61.1
374.15875	12.3
521.86584	9.0
529.34985	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.6
55.01876	49.3
55.05519	42.2
55.47932	5.2
57.03442	21.1
61.02933	44.4
67.05507	67.4
69.03439	24.7
69.07082	41.9
69.55013	27.7
69.55421	8.6
71.05001	8.2
73.02918	21.7
75.83639	6.0
79.05497	76.4
81.03411	21.8
81.07065	89.5
83.04992	15.0
83.08628	32.1
85.02908	47.5
89.06026	9.1
91.03964	17.7
91.05486	65.7
93.07061	62.1
95.04984	15.8
95.08619	52.0
97.02910	37.0
97.06537	66.8
97.10148	29.6
98.10457	5.4
105.07055	74.2
107.04951	29.0
107.08627	47.3
109.02892	11.3
109.06552	13.5
109.10178	20.6
111.08057	8.2
117.07039	19.6
119.08586	46.9
121.06516	10.8
121.10180	26.9
123.08058	11.7
123.11743	7.0
125.09591	11.2
127.03917	11.3
129.06984	11.5
131.08580	27.2
133.08636	13.2
133.10126	39.0
135.08078	10.8
135.11719	15.6
137.05965	6.7
137.09647	14.9
143.08583	9.2
145.10152	30.8
147.11713	25.6
149.09613	34.6
157.10184	12.9
159.11638	27.9
161.09698	7.4
161.13255	8.0
163.11182	18.5
165.12849	7.1
171.10208	16.0
171.11641	12.1
173.13287	12.2
177.12769	10.4
179.14325	11.5
189.11311	15.0
227.12714	10.6
229.19473	7.4
253.18105	17.9
257.19022	21.0
269.17499	14.7
272.27777	5.8
275.20093	95.4
293.21054	10.4
349.23752	100.0
367.17920	8.3
367.24753	65.1
529.35791	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73419	4.5
53.03955	9.2
55.01875	46.7
55.05514	39.2
57.03446	23.2
61.02925	58.3
67.05508	71.6
69.03440	26.8
69.07064	46.4
69.22652	45.8
69.22954	4.6
71.01363	4.8
71.05000	9.0
73.02916	21.8
78.37961	4.5
79.05493	78.5
81.03433	22.2
81.07059	72.3
82.38999	4.3
83.04982	11.9
83.08626	29.2
85.02896	41.5
85.55959	4.8
91.03963	25.9
91.05485	54.2
93.07052	50.8
95.04987	24.1
95.08618	37.1
97.02902	27.8
97.06533	55.3
97.10157	29.5
98.21535	8.2
99.04454	11.4
105.07040	53.1
105.53814	4.4
107.04953	36.0
107.08596	62.5
109.02911	11.0
109.06548	13.2
109.10168	25.7
111.08111	4.4
117.07030	20.8
119.08596	36.7
121.06535	12.7
121.10144	23.3
123.08065	7.2
123.11726	5.8
125.09646	30.1
127.03930	14.9
129.07021	10.6
131.08559	35.3
133.10115	30.0
135.08061	10.7
135.11705	14.7
143.08548	5.4
145.10149	26.2
147.11678	18.7
149.09633	46.7
149.13268	5.8
151.11214	6.4
155.08502	6.1
157.10172	6.6
159.11739	13.2
161.09575	6.0
161.13260	7.6
163.11206	21.5
171.10199	18.0
171.11653	9.3
173.13284	8.8
179.14445	5.5
187.11237	6.3
189.11232	34.0
223.13342	7.2
227.10840	6.3
227.12793	29.6
229.14293	8.3
229.19475	6.0
245.13885	18.3
247.20633	5.0
253.18045	16.2
257.19006	15.9
275.20056	100.0
276.20459	5.9
293.21127	12.9
349.23737	94.2
349.27664	8.4
361.57715	4.7
367.24771	47.9
391.24869	6.1
410.57175	5.7
529.29785	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	529.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
55.01873	15.5
55.05268	2.1
55.05513	22.6
55.76560	1.3
57.03437	18.7
59.04996	2.1
60.50813	1.4
61.02929	52.2
65.03941	4.6
67.05509	47.0
69.03436	22.5
69.07072	29.7
71.01335	5.2
71.04972	5.9
71.05316	3.4
73.02918	17.9
73.95078	1.5
79.05496	46.1
81.03425	20.5
81.07061	100.0
83.04963	9.9
83.08615	14.2
85.02909	40.0
85.06533	5.8
87.04478	1.8
91.03962	23.0
91.05487	39.4
93.07050	38.0
95.04978	11.7
95.08613	30.9
97.02893	31.4
97.06533	18.9
97.10171	7.5
99.04447	6.1
99.08115	3.0
101.02390	10.3
103.03938	4.6
105.07037	38.5
107.04969	12.0
107.08607	25.6
109.02900	9.0
109.06529	19.5
109.10166	12.1
111.04439	3.2
111.08062	6.2
115.03897	2.4
115.05465	2.7
116.28982	1.4
117.07011	11.7
119.08587	30.3
121.06467	5.4
121.10169	18.9
123.04475	1.8
123.08059	8.5
123.11711	11.2
125.09612	8.4
127.03939	13.9
129.05533	2.5
129.06973	5.2
131.08578	14.1
133.06482	1.7
133.10144	23.3
135.08035	5.7
135.11726	8.7
137.09608	6.1
139.07520	1.9
139.88457	1.5
143.08539	4.3
145.04950	3.0
145.10133	16.9
147.08066	2.1
147.11708	25.9
149.09628	18.0
149.13278	8.0
151.11177	2.3
157.10117	4.6
159.11731	12.0
160.76741	1.6
161.09688	3.4
161.13289	6.7
163.11195	11.1
163.14764	2.0
165.12738	10.0
171.10147	4.2
171.11629	3.2
173.09615	1.8
173.13266	5.8
175.11224	5.0
177.12752	5.6
179.14322	2.9
183.06548	1.8
183.11635	2.4
185.13203	1.6
187.11218	3.4
187.14836	2.0
189.11185	5.5
191.14290	4.1
193.12207	3.0
195.13756	3.7
201.12857	1.8
215.14378	2.0
221.60101	1.6
227.12819	4.8
229.19669	3.8
239.17883	3.4
245.13818	3.5
247.20557	3.5
257.18979	10.2
269.17447	4.4
275.20081	74.7
293.21115	19.3
331.22980	2.2
339.83438	1.6
349.23779	29.8
367.24792	46.3
391.24911	3.6
475.26328	2.1
493.27475	1.6
495.20322	1.7
506.83356	1.7
529.29895	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	529.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34009	1.6
56.84566	1.8
58.76674	1.8
66.10081	1.5
69.85079	3.2
69.85500	6.9
91.05454	2.2
98.20824	2.3
118.06557	20.5
130.06430	2.0
130.16011	1.6
132.08107	6.4
143.07352	2.6
144.08110	10.9
146.06020	61.3
159.09221	5.9
170.06076	3.9
187.73036	1.8
188.07086	100.0
205.09750	43.2
208.50531	1.6
211.98611	1.8
270.44757	1.7
305.87439	2.1
524.23108	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.0
55.01875	21.0
55.05307	2.3
55.05519	25.4
55.61477	2.3
57.03442	20.8
61.02929	55.7
65.03927	3.2
67.05177	4.7
67.05511	55.2
69.03434	29.1
69.07074	31.4
70.13498	10.1
71.01345	5.3
71.04982	6.3
71.92741	2.5
73.02919	22.8
79.05498	53.7
81.03416	19.6
81.07062	100.0
83.04988	12.6
83.08612	15.6
85.02914	47.6
85.06537	4.5
91.03960	23.6
91.05486	51.1
93.07053	51.1
95.04950	15.7
95.08611	31.4
97.02903	39.0
97.06528	30.3
97.10164	13.8
98.21421	2.6
99.04473	5.8
101.02361	4.8
103.03941	4.5
105.07037	52.4
107.04992	16.5
107.08598	43.7
108.58110	2.4
109.02894	7.5
109.06516	15.7
109.10157	19.2
111.04428	2.8
111.08066	5.8
117.07050	18.9
117.83672	2.6
117.97200	2.6
119.08595	42.6
121.06495	6.7
121.10159	25.1
123.08077	8.6
123.11717	11.6
125.09645	10.9
127.03907	16.8
129.05479	5.6
129.07021	4.7
131.08580	26.1
133.06541	4.5
133.10155	32.9
135.08041	12.2
135.11691	11.7
137.09622	7.8
142.07878	2.8
143.08481	6.3
145.04971	3.4
145.10106	21.6
147.11739	23.2
149.09650	22.8
149.13257	8.0
151.11230	3.8
157.10135	8.6
159.11725	16.7
161.09660	5.3
161.13298	10.3
163.11186	11.4
165.12761	8.1
169.10181	3.3
171.10229	5.0
171.11690	6.0
173.11784	3.6
173.13243	11.0
175.11159	5.9
177.12750	6.2
179.14319	4.5
183.11739	3.4
187.11179	4.6
189.11218	11.4
191.14316	3.0
193.12303	6.6
195.13838	3.7
197.13277	2.7
227.12801	10.0
239.17892	7.5
245.13876	8.8
247.20665	6.1
257.18982	11.0
269.17480	14.5
275.20071	94.9
293.21060	12.5
321.41418	2.6
349.23743	54.2
357.12582	2.5
367.24838	60.6
370.76556	2.8
493.28391	2.5
511.28784	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	528.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29208	1.2
55.05508	8.6
57.03432	2.4
57.07076	50.2
59.05002	19.3
64.21040	1.3
67.05507	10.3
68.05836	2.1
69.07064	7.1
71.04974	1.3
71.08633	100.0
73.06525	3.1
79.01717	1.2
79.05490	7.8
81.07067	10.2
82.07365	1.4
83.08622	2.0
85.10184	54.2
87.04463	10.0
89.06031	84.9
89.25597	1.2
91.05483	7.4
93.07034	5.9
95.08603	6.1
96.08918	1.3
97.10198	1.9
98.20728	2.6
102.39440	1.5
103.07600	6.9
105.07025	7.1
107.08564	4.0
108.08910	2.4
109.10131	3.4
117.07011	3.5
119.08567	4.0
121.10104	1.9
127.14816	7.0
128.06219	1.3
129.06998	3.1
131.06979	3.7
131.08548	5.7
133.08604	73.6
133.10161	3.7
134.75505	1.3
141.06984	1.5
143.08496	4.8
145.10136	4.2
146.10471	3.0
147.11717	1.6
155.08549	2.2
156.08879	3.2
157.10159	2.9
158.10475	2.1
159.11623	2.3
167.08513	1.4
169.10147	2.9
171.11638	3.8
172.12070	1.9
173.13292	2.4
177.11212	27.4
179.61015	1.3
181.10123	2.4
183.11670	4.1
183.44870	1.4
185.13274	2.4
185.19026	9.3
187.14799	1.3
197.13246	3.6
198.13541	2.0
200.15112	1.3
209.13110	1.5
211.14799	1.5
221.13788	7.2
229.21567	4.3
239.14783	1.9
246.69582	1.2
265.16522	1.3
275.20145	1.4
282.71741	1.4
283.17395	2.1
327.20145	20.0
350.25610	1.3
367.23178	2.2
418.31485	2.9
436.33206	7.1
454.33850	3.1
497.95029	1.5
510.36469	3.6
511.38049	3.9
528.30176	2.0
528.37604	35.9
529.36285	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17748	0.5
53.00308	0.6
53.03917	0.8
55.01864	1.3
57.03403	1.0
63.02350	0.5
65.03930	1.2
67.05486	1.5
68.99795	4.3
69.95241	2.8
70.06263	0.6
70.06593	7.8
77.69024	0.6
79.05480	2.9
81.07043	1.7
83.01334	1.3
89.35494	0.5
91.05496	2.8
93.03410	0.7
93.07037	2.0
95.04469	0.5
95.04983	5.7
95.08585	0.9
97.02870	0.7
98.20786	0.6
100.57386	0.6
103.05478	0.6
105.07016	2.3
107.04980	3.0
107.08590	1.4
109.02821	0.6
109.06558	1.5
115.05414	1.1
117.07007	3.5
119.04959	1.0
121.02862	1.4
121.06497	4.9
123.04417	2.7
129.06999	1.7
131.04973	1.0
133.02853	0.6
133.06482	0.7
135.04404	3.9
135.08067	4.7
136.07568	2.2
139.03906	28.4
145.02827	2.0
145.06458	4.4
147.04294	2.6
147.08034	1.3
148.05107	0.7
149.05978	7.7
150.04286	0.5
151.03912	4.2
151.07559	0.8
153.01839	6.7
153.05507	1.1
157.06538	3.1
157.07646	0.5
159.04385	0.8
159.76891	0.6
159.84010	0.6
161.05983	4.0
162.09088	1.1
163.03909	22.2
163.06168	1.0
163.07547	16.8
165.05493	3.5
165.06664	0.7
167.06973	0.8
169.86499	0.6
173.05965	7.9
175.03833	1.0
175.07550	1.7
176.04729	0.9
177.05484	3.2
178.08630	0.6
179.03572	1.2
179.05461	1.1
179.07039	18.0
181.04927	0.9
183.77959	0.7
185.05978	3.7
187.04024	0.7
187.07565	0.6
188.07060	1.3
189.05405	1.2
190.08643	15.5
191.07037	60.7
192.07396	0.7
196.09666	5.1
202.08611	1.2
203.07014	9.2
203.08759	0.7
205.04987	19.3
207.07663	1.5
208.09694	100.0
209.09831	0.7
215.06953	1.9
220.09705	5.7
229.04878	0.9
231.02917	0.6
253.08707	0.8
261.96347	0.5
271.06021	1.1
283.05899	1.0
289.07150	2.3
295.09662	1.1
295.16309	0.6
297.07849	0.9
313.07187	0.6
313.10553	0.7
315.08765	0.6
322.10651	2.8
323.09042	5.7
340.11804	12.5
341.10239	18.7
358.12860	46.7
359.13388	1.0
366.13077	1.8
376.13879	1.6
501.68887	0.5
501.95496	0.6
511.12164	0.7
528.15002	25.7
529.15497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.3
53.03931	2.5
55.01873	2.6
55.05515	12.9
57.03434	3.3
57.07068	2.5
63.03717	0.9
65.03943	2.2
67.05511	27.5
69.07072	11.6
70.43777	0.8
71.00925	2.0
71.05001	1.5
79.05505	18.7
81.03427	1.9
81.07065	25.4
83.08625	5.9
85.06536	1.6
91.05486	22.8
93.07052	21.6
95.04995	1.6
95.08608	17.1
97.06526	2.1
97.10181	3.3
105.07043	22.7
107.08612	11.6
108.18159	0.9
109.06544	0.8
109.10170	7.7
111.08086	1.9
115.05479	2.1
117.07023	14.5
117.93919	0.8
119.08584	14.1
119.09379	1.4
121.10157	7.0
123.08070	1.2
123.11706	2.4
128.06244	3.6
129.07005	13.9
130.07784	1.2
131.08582	22.4
133.10144	11.4
135.11719	5.1
141.06981	4.7
142.07819	2.0
143.08557	16.0
143.09557	1.2
145.10152	16.8
147.11710	4.8
149.13272	2.5
153.00053	0.9
154.07796	1.3
155.08585	11.9
156.09358	1.3
157.10132	14.5
158.10924	0.9
159.11700	11.0
161.13213	2.1
166.07800	1.1
167.08653	3.4
169.10132	11.6
171.11694	13.7
173.13251	7.6
175.14861	1.2
179.08612	1.2
181.10176	6.2
183.11700	11.8
185.13260	9.2
187.11275	1.2
187.14871	2.1
193.10219	2.1
195.11765	4.1
195.13525	1.0
197.13284	9.6
199.14903	4.9
207.11810	1.3
209.13194	4.7
211.14899	3.9
213.16473	2.0
221.13393	1.6
223.14827	4.4
225.16443	2.0
227.18073	1.4
235.14784	1.9
237.16394	1.6
239.18031	1.8
241.19589	1.4
249.16359	2.1
255.17291	1.2
259.20688	2.4
263.17978	1.2
265.19305	0.9
279.21082	1.1
283.20560	1.5
295.20624	1.0
297.22250	1.8
301.21802	1.2
311.23981	2.0
315.23312	2.1
326.92032	0.9
341.24475	1.1
353.49387	0.9
367.26437	1.4
395.71765	1.0
407.33249	1.8
417.31607	7.2
435.32651	17.9
453.33786	9.7
471.34787	3.3
473.34698	1.2
491.35016	2.2
509.36444	9.1
516.11700	1.1
527.37360	100.0
528.37964	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01860	2.6
55.05511	12.8
57.03444	4.3
57.07080	2.0
59.04988	0.9
65.03942	0.9
67.05506	24.3
69.07069	10.8
69.25891	8.7
71.04985	2.4
79.05065	1.5
79.05501	18.3
81.03410	0.9
81.07057	26.1
83.04980	2.1
83.08618	7.8
84.23927	0.9
85.06541	1.8
91.05487	19.3
91.06026	1.6
93.07047	16.6
95.08611	17.6
95.09180	1.4
97.06537	2.9
97.10184	3.3
98.26236	0.8
105.07039	19.1
107.08595	12.2
109.06525	1.5
109.10136	6.1
111.08060	1.1
115.05479	1.9
117.07027	11.3
119.08587	14.6
121.06543	1.0
121.10132	6.4
123.08068	1.5
125.09659	1.6
128.06235	3.6
129.07024	15.6
130.07825	1.8
131.08571	19.2
133.10136	9.1
135.08054	1.7
135.11717	2.9
137.09622	1.1
141.06964	5.2
142.07817	3.5
143.08572	17.2
144.09334	1.1
145.06474	1.0
145.10118	17.7
145.11156	1.4
147.11682	4.6
149.13359	1.6
154.07663	1.5
155.06123	1.0
155.08539	10.2
156.09319	1.8
157.10129	17.3
159.11690	9.6
161.13307	2.8
163.11176	1.1
165.07051	1.4
167.08583	4.1
167.43530	0.8
168.09346	1.7
169.10130	13.1
170.10924	0.8
171.11707	14.7
173.13277	7.0
175.11317	1.0
179.08606	1.1
180.09222	0.8
181.10121	6.4
182.10893	1.2
183.11696	13.4
185.13252	9.4
187.14824	2.2
193.10188	1.3
195.11748	5.5
195.13351	1.0
197.13306	9.2
199.14781	5.7
201.16492	1.6
207.11691	2.7
209.13257	6.2
211.14793	5.5
213.16446	2.7
219.15388	0.8
221.13351	2.7
223.14879	3.7
225.16425	2.3
235.14833	2.9
237.16493	1.8
238.17030	0.8
239.18073	1.4
249.16533	1.0
253.19618	0.9
255.17508	1.3
275.19958	1.1
279.21094	0.9
283.20596	1.7
295.20609	1.4
297.22211	1.4
309.21915	1.0
311.20059	1.0
311.23853	2.2
315.23331	1.6
323.23694	1.6
335.23846	1.2
337.25165	1.3
338.58646	0.9
339.23187	1.2
341.24957	1.6
353.24689	1.8
365.24545	1.2
367.26367	1.3
407.33286	1.5
417.31433	7.1
435.32605	21.9
453.33710	8.4
471.34680	2.8
473.34238	2.2
491.35336	2.3
509.36203	12.1
515.68115	1.1
527.37360	100.0
528.37708	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	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53736	0.7
52.09950	0.7
53.03943	2.5
54.06830	0.8
55.01865	2.3
55.05268	1.1
55.05511	15.1
57.03423	2.5
57.07072	1.9
65.03933	2.0
67.05505	22.0
67.96367	0.7
69.07065	11.0
71.04966	1.9
71.07220	1.6
79.05071	1.3
79.05495	19.3
81.07058	23.3
83.04973	1.6
83.08611	6.2
85.06551	1.8
91.05485	16.9
91.27760	0.8
93.07049	15.9
95.04974	2.2
95.08609	12.8
97.06537	2.0
97.10165	2.8
97.98581	0.8
99.08112	1.1
103.05479	0.9
105.07040	18.1
107.04916	0.8
107.08604	10.3
109.06510	1.3
109.10153	5.3
111.08121	1.0
115.05458	2.4
117.07019	10.6
119.08588	13.4
121.10135	5.9
123.08061	1.6
123.11674	1.9
128.06235	3.0
129.07014	12.9
130.07809	1.2
131.08568	20.9
133.10132	9.7
135.11647	3.8
135.98648	0.7
139.11127	1.6
141.06984	4.9
142.07777	2.5
143.08565	16.8
144.09380	1.0
145.10124	14.8
147.11691	4.0
149.13327	2.5
153.06973	0.8
155.08562	10.4
156.09392	1.7
157.10132	14.8
159.11694	11.0
161.13295	1.9
163.11171	1.4
167.08632	3.3
168.09389	1.3
169.10139	13.2
170.10945	1.5
171.11691	14.8
173.13228	6.6
179.08589	1.4
180.09262	1.1
181.10123	5.6
183.11702	12.0
185.13251	8.1
187.14810	3.0
193.10135	1.6
194.11073	0.9
195.11662	5.1
197.13261	9.7
198.13603	0.8
199.11139	0.9
199.14806	4.3
201.16443	1.1
207.11752	2.3
209.13298	3.5
211.14853	5.2
213.16411	3.0
221.13367	2.8
223.14764	4.4
225.16432	2.4
227.17961	1.0
227.77202	0.8
235.14822	1.8
237.16490	1.8
239.18002	1.6
249.16368	1.2
253.19762	0.9
259.20807	1.8
265.19485	1.1
269.18936	1.4
281.19080	0.8
283.20535	1.9
287.20062	0.8
295.20758	1.0
297.22266	2.0
305.22546	0.9
309.22348	1.1
311.20050	0.8
311.23688	1.7
313.21304	1.1
315.23087	1.6
317.24564	0.9
323.23596	2.2
325.21606	2.0
327.23245	1.5
339.23233	1.0
341.24854	1.0
349.25232	1.1
353.24863	1.7
361.25156	0.9
407.33469	1.2
417.31689	6.4
433.29822	0.8
435.32614	20.8
453.33716	8.5
471.34650	3.4
473.34097	2.6
491.35245	2.9
509.36389	9.8
527.37354	100.0
528.37708	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	527.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.3
55.01868	13.1
55.05512	21.2
57.03435	26.7
61.02925	24.2
65.03944	4.2
67.05508	84.0
69.03436	33.5
69.07061	19.9
69.27627	30.8
71.01365	4.3
71.04983	14.7
73.02922	15.1
79.05491	54.7
81.03422	48.1
81.06587	6.7
81.07059	100.0
83.04967	23.5
83.08617	10.9
85.02908	38.8
85.06552	6.5
91.03954	14.2
91.05489	80.5
93.07046	48.6
95.04975	21.5
95.08620	30.8
97.02895	37.1
97.06531	9.4
97.10246	3.5
99.04406	7.3
99.08083	6.2
101.02379	8.4
103.03925	5.5
105.06328	3.5
105.07035	64.1
107.04951	17.4
107.07970	4.0
107.08609	40.1
109.02859	13.2
109.06565	16.5
109.09483	4.1
109.10173	56.7
111.04443	7.8
111.08086	8.8
113.06011	4.2
114.41073	3.5
117.07041	15.5
119.08606	18.7
121.06489	10.0
121.10138	10.2
123.08077	9.1
123.11699	10.2
125.09647	4.9
125.50818	3.4
127.03898	23.8
127.07518	4.0
127.34066	3.2
129.05513	7.2
129.07013	9.0
131.08588	22.2
133.06468	10.7
133.10139	99.0
135.08028	17.7
135.11723	10.7
136.51314	3.6
137.09615	5.7
143.08595	7.2
145.04976	5.4
145.10118	11.9
147.08046	5.9
147.11696	7.4
149.09689	16.3
151.11188	64.5
155.08553	4.0
157.10100	6.1
159.08026	7.0
159.11687	5.9
161.09608	7.6
161.13281	3.9
163.11241	4.8
165.09155	4.2
169.12230	13.7
171.11659	6.5
173.04402	3.5
173.09669	4.5
175.11208	7.0
177.09109	10.5
181.12164	3.1
183.06525	3.8
187.11194	3.6
193.12294	5.0
211.13235	5.4
215.12798	7.2
251.12688	3.2
253.14340	40.9
263.20135	5.5
269.13852	6.8
271.15411	4.2
273.18542	29.7
291.19513	18.0
347.22168	19.2
365.23175	32.5
415.19226	3.8
527.28564	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	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.6
53.03947	7.6
55.01884	8.6
55.05518	27.1
57.03443	14.6
57.44895	1.6
61.02932	14.1
67.05509	41.4
69.03434	26.6
69.07079	25.5
70.91080	2.5
70.91442	3.8
71.01369	3.3
71.04994	3.8
73.02926	9.1
79.05505	31.9
81.02984	3.1
81.03427	32.5
81.07067	30.5
83.04993	10.5
83.08616	15.4
85.02914	22.4
87.04446	2.6
91.03974	8.5
91.05486	25.9
93.07055	25.8
95.04985	16.0
95.08624	15.8
97.02900	24.8
97.06537	4.8
97.10178	21.0
99.04469	6.7
101.02389	9.4
103.03986	1.7
105.04558	1.9
105.07033	17.9
107.04949	12.5
107.08604	16.4
109.02868	10.1
109.06553	4.7
109.10170	15.0
110.89611	1.5
111.04462	5.1
111.08132	4.1
115.05475	4.4
117.07034	8.3
119.04991	2.0
119.08588	17.6
119.09372	2.5
121.06514	7.7
121.10138	8.4
123.04504	1.8
123.08066	9.7
123.11705	2.0
125.09648	18.8
127.03938	13.6
127.07527	1.9
129.07010	5.9
131.08568	12.8
132.05627	1.9
133.06528	3.9
133.10136	10.7
135.08109	8.5
135.11740	3.5
137.05995	2.2
137.09663	5.0
139.03914	2.0
143.08623	3.2
145.06538	1.6
145.10103	10.6
147.08089	6.1
147.11668	5.3
149.09608	3.8
157.10141	4.5
159.08034	2.3
159.11690	3.7
161.09636	5.4
163.11185	5.2
165.09003	3.8
165.44653	2.0
169.10216	2.4
171.11794	2.4
173.04521	2.1
173.11813	1.9
175.11227	5.6
177.09102	2.4
177.12747	1.9
183.06598	2.5
185.09618	1.9
189.11191	10.7
191.10661	2.1
193.12265	11.2
195.13809	2.5
205.12270	3.7
211.13260	10.2
223.13258	16.5
227.12811	6.4
227.17894	2.9
233.15564	1.5
235.13312	3.9
245.13828	2.4
245.19022	2.6
249.14920	4.4
255.17531	2.4
263.19971	2.8
267.15808	4.0
273.18555	25.5
279.15857	1.9
285.17139	1.6
291.19562	100.0
333.20383	1.7
347.22244	5.3
365.23306	30.4
393.22836	3.9
411.19940	2.4
443.98984	1.8
491.27179	2.2
509.27490	1.9
527.28467	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09063	1.3
53.03945	8.0
55.01879	9.6
55.05516	31.7
57.03442	15.3
61.02937	17.4
65.03921	3.0
65.06184	1.4
67.05504	34.2
69.03430	30.9
69.07074	29.0
69.49870	3.2
69.50286	6.3
71.01347	2.5
71.04993	5.9
73.02640	1.1
73.02921	11.1
77.03918	1.7
79.05500	31.8
81.02984	2.3
81.03422	27.1
81.07061	30.3
83.04999	8.3
83.08618	14.1
85.02913	26.1
85.06555	2.0
87.04469	1.5
91.03979	8.4
91.05489	20.2
93.07053	23.5
95.04976	12.9
95.08605	15.0
97.02898	27.7
97.06532	3.9
97.10180	20.2
99.04453	5.9
101.02366	6.9
103.03930	2.4
103.05482	1.5
105.07056	15.3
107.04965	10.6
107.08598	20.2
109.02871	9.8
109.06509	6.2
109.10168	10.9
111.04472	3.3
111.08096	6.5
115.03886	1.7
115.05406	1.7
117.07036	9.7
119.08595	16.1
121.06463	2.4
121.10153	7.2
123.04429	2.6
123.08068	9.1
125.02433	1.7
125.09640	16.7
127.03915	11.7
129.05502	2.2
129.07025	3.8
131.08592	11.3
133.06485	4.7
133.10136	7.7
135.08040	6.8
135.11655	3.3
137.09627	3.6
142.07852	1.4
143.08580	4.3
145.04910	2.1
145.10130	8.5
147.08061	6.6
147.11662	6.4
149.09616	3.4
149.13231	1.6
153.09111	2.3
155.08583	2.1
157.10112	2.9
159.08130	2.6
159.11684	5.5
161.09630	3.7
163.11240	2.5
165.09137	4.5
169.10033	1.5
169.12193	2.1
171.10190	2.6
171.11636	2.1
173.04460	3.4
173.11942	1.5
175.11192	4.7
177.12715	2.4
183.06520	1.6
189.11238	12.9
189.12756	1.9
193.12291	8.3
203.10780	1.4
205.12170	2.3
211.13348	6.4
223.13295	22.1
227.12752	6.6
229.12270	1.6
235.13374	1.6
245.19168	2.1
249.14865	5.3
255.17477	2.8
261.18393	1.9
267.15982	2.4
273.18497	20.9
279.46985	1.5
285.17032	1.6
291.19562	100.0
292.19739	2.5
308.94791	1.2
315.19781	2.4
347.18268	1.6
347.22263	5.5
365.23206	30.4
383.24765	1.6
389.23004	2.0
393.22726	2.0
407.24347	1.8
412.64468	1.5
429.20993	2.0
436.16498	1.5
473.25226	1.5
509.27521	2.4
527.28516	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	527.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.1
55.01860	5.1
55.05513	17.6
57.03426	10.2
61.02912	4.5
65.03931	3.4
67.05170	4.6
67.05507	44.6
69.03421	7.6
69.07061	11.6
69.75851	12.4
69.76269	4.4
70.06589	3.3
70.15182	3.0
71.01343	5.1
71.04963	4.0
73.02917	10.9
79.05499	42.3
81.03406	8.4
81.07064	38.7
83.04985	6.5
83.08620	8.9
85.02911	24.6
90.58839	2.6
91.05495	42.7
93.07052	61.0
95.01337	10.3
95.04964	5.8
95.08611	30.5
96.44879	2.9
97.06533	4.6
97.10128	5.9
98.20860	3.6
99.00774	3.5
99.08091	4.0
105.07037	35.4
107.08599	32.1
109.10145	16.3
113.02353	8.5
117.07022	12.4
118.97802	2.6
119.08582	33.7
121.06578	3.6
121.10163	28.3
128.06216	4.5
129.06993	6.1
131.08592	23.2
133.10133	30.9
135.11687	28.0
136.11888	3.2
137.09645	3.1
141.01814	14.9
143.08534	7.0
145.10117	18.7
147.11699	28.5
149.09622	3.9
149.13275	16.9
157.10138	7.9
159.07941	3.4
159.11725	18.5
159.17717	2.9
161.13263	22.8
163.14824	7.0
171.11682	10.1
173.13249	9.1
175.14891	10.1
185.13271	9.5
187.14864	4.0
199.14813	4.1
213.16461	3.4
231.17505	3.5
231.21043	4.5
240.00911	3.2
241.19495	29.8
259.20602	59.6
272.10913	2.9
273.18491	3.6
277.21622	7.0
301.21750	2.7
333.24231	8.2
344.80786	2.8
347.22021	3.5
349.23569	4.2
351.11023	2.7
351.25339	100.0
352.25555	3.4
365.23248	6.5
417.21783	3.5
527.29041	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	527.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.0
55.01870	11.8
55.05517	37.4
57.03437	19.0
61.02923	25.7
63.96901	2.6
67.05511	63.9
69.03436	36.0
69.07070	31.4
70.03420	2.9
70.03761	13.0
71.01346	5.9
71.05000	10.9
73.02920	13.5
77.61687	2.7
77.84033	2.6
79.05498	53.2
81.03418	46.5
81.07063	71.4
83.04985	15.6
83.08618	20.4
85.02914	39.6
91.03963	13.7
91.05494	37.7
93.07057	42.8
95.04977	36.7
95.08616	26.2
97.02904	52.0
97.06548	7.0
97.10172	25.3
98.21398	5.3
99.04447	10.4
99.08092	3.7
101.02371	6.3
103.04004	3.1
103.05454	4.6
105.04487	4.1
105.07037	29.7
107.04941	17.0
107.08617	30.0
109.02898	14.0
109.06516	35.9
109.10176	19.9
111.04465	9.0
111.08083	8.3
115.03867	3.7
117.07024	18.0
119.04948	5.0
119.08590	28.3
121.06510	11.8
121.10161	12.6
123.08067	20.1
125.09631	20.0
127.03912	21.3
129.05453	3.7
129.07019	8.2
131.08565	15.5
133.06487	8.6
133.10141	23.6
135.08070	13.7
135.11707	6.9
137.09637	7.7
142.07742	5.1
143.08586	7.6
145.04961	4.7
145.10081	14.8
147.08069	12.8
147.11728	6.8
149.09642	10.5
149.59891	3.0
151.11198	7.7
155.10782	3.2
157.10092	8.6
159.08034	4.5
159.11719	8.2
161.09651	10.1
163.11183	5.8
165.09087	4.7
173.04407	3.6
173.09700	3.0
175.11200	7.8
179.10651	3.0
183.11673	3.2
185.87766	3.0
189.11250	21.9
189.12650	4.5
193.12289	10.3
205.12268	4.4
211.13332	11.3
223.13335	14.2
227.12842	6.2
235.13391	4.3
245.13773	3.3
245.18959	7.1
249.14821	4.0
255.17465	5.0
263.20184	4.2
267.15939	3.6
273.18488	37.7
291.19547	100.0
347.22171	17.3
365.23236	42.4
432.86444	3.1
509.27206	6.9
527.28534	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17130	0.8
55.01885	1.0
55.05509	2.4
56.28216	0.8
57.03450	1.4
59.29782	1.0
67.05505	2.8
69.03432	2.7
69.07076	1.6
70.06563	1.2
71.04991	0.9
71.50794	1.3
74.28541	0.9
78.08308	0.8
79.05492	3.5
81.03403	1.7
81.07055	6.1
83.04971	1.5
85.02935	1.4
85.06534	1.2
91.05482	4.2
93.07052	3.8
95.04957	2.2
95.08611	3.6
97.02873	2.4
97.06517	1.1
97.10165	1.4
99.04477	1.3
105.07036	3.8
105.56587	0.9
107.04958	1.3
107.08601	2.8
109.06526	1.1
109.10173	1.8
111.08102	1.0
119.08610	3.8
121.06489	1.8
121.10148	1.4
123.08073	1.5
123.11694	1.3
125.09693	0.9
129.07104	1.3
131.08571	1.2
133.10100	1.8
135.08125	1.1
137.06017	1.5
139.03911	4.5
142.38818	1.1
143.08543	1.7
145.10123	2.4
147.07961	1.1
147.11734	1.8
153.01805	2.2
153.09143	0.9
159.11781	1.3
161.09737	1.4
163.11247	1.5
217.08656	1.7
227.12926	1.1
230.91983	1.0
261.18326	1.5
273.18530	2.9
279.19412	4.4
291.19608	2.5
294.33914	1.1
303.55713	1.0
365.23273	3.7
423.23502	1.6
441.24524	7.1
465.24646	8.9
483.25717	21.0
509.23563	23.7
510.87259	1.0
527.24628	100.0
528.25006	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03938	0.7
55.01863	0.7
55.05510	2.4
57.03432	0.5
57.07059	0.4
59.05007	0.3
67.05505	1.3
68.21994	0.2
68.99777	0.2
69.03431	2.0
69.06726	0.3
69.07072	4.2
70.06636	0.2
71.04987	0.8
71.08630	0.2
71.51730	0.2
72.12639	0.2
72.51764	0.2
73.02939	0.2
79.01862	3.3
79.05510	0.9
81.03423	6.1
81.07063	3.1
83.04977	1.6
83.08611	0.9
85.02911	2.0
85.06549	1.6
86.29777	0.2
87.00836	0.2
91.05489	1.0
93.07043	1.9
94.06617	0.2
95.08616	3.7
97.02895	3.0
97.06526	0.8
97.10185	1.0
98.29411	0.2
99.04455	0.8
99.08111	2.4
105.07023	0.8
107.01299	1.0
107.08594	2.4
109.02885	3.4
109.06557	0.5
109.10164	1.5
111.08073	0.6
111.11729	0.9
113.09625	0.9
119.04964	0.3
119.08601	0.7
121.06506	0.7
121.10155	2.4
123.08132	0.2
123.11700	0.9
125.02348	2.4
125.05972	0.2
125.09625	1.1
127.03926	4.1
129.06995	0.2
131.08496	0.3
133.10123	0.4
135.11725	1.2
137.05974	0.4
137.13245	1.1
139.03899	0.9
139.11185	0.6
143.03404	4.5
145.05000	0.6
145.10094	0.3
149.13332	0.4
151.03879	0.2
151.07628	0.3
151.14813	0.4
153.01840	100.0
153.02876	5.1
153.12758	1.3
154.02180	0.8
155.10919	0.2
161.09624	0.3
165.09126	0.2
167.07036	0.6
171.02899	6.5
171.21512	0.2
177.16408	4.0
193.15816	0.2
195.17458	5.0
201.16185	0.2
213.03885	0.2
213.18536	2.9
220.10568	0.2
279.05234	0.2
296.79462	0.2
297.06097	6.7
303.19449	0.3
315.07104	7.2
495.19595	0.5
527.17780	0.6
527.24921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
55.05501	3.2
55.25755	1.8
57.03431	2.5
58.20082	1.9
63.54992	1.7
67.05505	6.1
69.03425	4.2
69.07062	3.6
69.55451	7.4
69.55857	3.3
70.06593	3.0
71.04989	2.3
79.05500	5.6
80.05048	1.9
81.03430	5.0
81.07056	8.8
85.02928	8.4
88.03977	2.1
90.05592	2.0
91.05504	14.8
92.43212	1.9
93.07047	12.6
95.04989	8.2
95.08624	12.3
97.02881	4.4
99.04477	2.6
103.05492	2.7
105.07033	5.1
107.04958	3.6
107.08585	7.1
109.02854	1.7
109.06530	4.9
109.10155	5.6
119.04959	6.4
119.08589	5.2
121.06517	49.2
121.10147	4.5
122.02742	3.6
122.03576	2.3
123.04455	6.8
123.08130	2.1
124.07568	2.9
129.07013	6.2
133.10152	4.7
135.08005	4.4
137.05983	55.4
137.09624	4.4
138.09161	12.9
139.03897	2.1
145.04985	3.1
147.04420	6.6
147.08040	4.5
147.11720	2.8
149.05994	13.5
149.09676	4.6
151.07559	39.3
151.11252	3.2
153.01839	6.2
155.08528	1.9
157.06493	8.9
161.05994	3.6
161.09526	2.1
163.07553	5.5
163.11182	2.6
165.06960	2.7
165.09100	3.7
173.13303	2.0
175.07549	19.3
177.05417	3.2
191.14404	2.7
193.06595	2.8
195.08055	3.1
202.10808	2.9
209.15474	1.7
211.07591	3.2
213.09071	3.3
221.06133	4.0
221.09592	1.8
223.07578	2.4
225.09093	3.3
227.16347	1.9
239.07039	5.0
241.08568	2.7
253.08643	5.3
253.12335	5.3
255.10179	2.3
258.09058	3.4
267.10361	2.0
270.08789	3.2
271.09644	16.9
273.11276	8.5
299.12802	26.7
315.19556	4.4
317.13849	100.0
318.14301	2.8
410.12656	2.1
460.23328	2.4
472.23492	3.6
490.24576	2.2
494.14502	3.3
508.26068	4.1
526.19525	2.9
526.26837	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	526.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.8
67.05495	4.3
69.03414	2.4
69.07065	4.9
69.39728	5.8
69.40146	7.7
70.06586	4.4
79.05490	2.7
81.07017	1.7
84.08163	2.1
94.06590	10.1
100.11240	2.3
105.07003	2.3
107.05014	1.7
107.08582	1.8
109.10111	2.3
110.05995	2.2
112.07649	2.4
119.08572	2.1
120.04455	3.0
121.06485	5.7
121.10136	2.3
122.06037	21.2
123.04442	2.7
124.07581	7.7
136.07573	3.1
137.05959	2.7
138.05511	4.1
138.09172	1.9
139.03885	5.4
140.06071	1.5
140.07076	30.9
144.04469	4.2
146.06058	11.7
147.06761	3.9
153.01817	6.5
154.08704	2.2
162.05472	5.3
165.05519	4.3
166.03529	1.7
172.03932	27.9
174.05510	4.6
184.07437	2.0
190.05013	5.2
197.10744	2.4
204.06564	48.7
206.08116	22.5
209.10760	3.1
212.09599	2.6
212.12801	7.4
216.10309	2.0
221.07191	1.9
221.10690	3.2
222.07835	2.4
223.12378	3.8
224.09312	3.2
225.10205	20.4
234.09227	2.7
235.08682	5.4
236.09338	12.1
237.10254	51.5
238.08772	2.2
238.10956	2.6
239.11774	6.1
249.10251	3.2
250.11000	7.1
251.08186	3.4
251.11789	32.6
252.08923	3.3
252.12567	3.6
253.09714	6.6
253.13347	2.2
255.11218	5.1
261.12433	2.4
263.11853	4.2
265.09726	65.4
266.10339	9.3
267.11276	21.8
278.10464	2.6
279.11282	30.1
280.11920	4.0
281.12924	2.9
283.10699	6.4
284.11557	3.9
293.09222	43.1
294.09808	4.7
295.10815	19.1
297.12393	17.8
307.10687	10.6
309.12384	3.7
311.10242	3.7
312.11096	5.9
313.11838	20.4
325.11838	71.4
326.12549	4.4
327.13004	1.9
331.12955	2.8
335.10278	33.1
345.14465	37.8
353.11340	100.0
354.11911	2.8
355.12872	4.3
357.14291	4.9
358.15219	3.5
367.12811	3.8
385.09351	2.8
385.14014	29.7
452.17896	3.3
453.34262	6.3
466.19800	16.2
476.18027	4.0
494.19266	83.9
498.22507	3.1
508.20724	12.0
526.21735	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	526.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96321	1.1
63.03866	0.9
69.07069	3.1
69.24833	10.4
94.06581	7.2
98.20789	2.2
104.06105	1.0
104.82220	1.1
111.31679	0.9
112.07605	1.1
113.99611	0.9
120.04466	2.1
121.05276	0.9
121.06502	2.0
122.06047	10.1
122.22520	1.1
134.20744	0.9
138.05490	2.7
138.09142	1.2
140.07100	12.5
144.04454	2.0
146.06032	5.3
147.06772	1.0
150.05513	1.5
159.20378	1.0
162.09196	1.1
166.04961	1.2
172.03987	7.7
173.04759	1.3
174.05476	6.9
179.11154	1.1
190.05058	4.1
195.67738	1.2
197.10780	2.1
199.12291	1.4
204.06544	9.2
206.08177	3.4
208.09773	1.7
209.10754	2.3
212.09372	2.5
216.10269	1.5
222.11613	1.3
223.12411	2.6
225.10246	7.3
226.10873	1.0
232.05942	1.0
234.09155	2.3
234.11520	1.3
234.93260	1.0
235.08751	5.9
236.09494	7.9
237.10260	21.5
238.11005	1.8
239.11877	3.8
249.10226	5.3
250.07295	1.0
250.11002	4.6
251.08086	1.6
251.11807	22.7
252.09041	5.4
252.12654	1.8
253.09853	5.6
253.13376	1.9
255.11353	3.9
261.12399	2.7
263.11746	1.8
264.09000	2.3
265.09738	29.3
266.10492	6.0
267.11322	16.4
278.06610	4.5
279.11267	26.1
279.14011	1.8
280.12009	3.5
281.12891	3.6
282.09915	1.4
283.10818	3.2
285.12381	4.1
287.10168	3.1
292.08478	1.0
293.09229	22.0
294.09946	5.2
295.10806	16.8
297.12308	8.1
307.10840	8.0
309.09262	1.0
309.12430	6.3
311.10342	2.2
312.11127	3.4
313.11859	21.3
324.11145	1.7
325.11850	31.7
326.12662	1.1
331.12976	1.6
335.10306	20.2
337.11752	1.4
345.14456	3.1
353.11349	100.0
354.11938	4.8
355.13055	2.4
369.14780	1.3
385.13864	11.0
387.15692	1.5
450.20416	1.4
452.18298	2.7
466.19769	3.6
476.18149	2.4
494.19278	64.1
495.19437	2.3
526.21582	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	525.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
55.05507	2.8
57.03422	1.8
57.07053	1.5
67.05489	5.1
69.03439	9.0
69.07061	3.2
70.06614	1.6
71.04990	2.8
79.01857	3.2
79.05499	4.4
81.03427	8.7
81.07074	7.0
83.04971	2.1
83.08590	1.8
85.02919	9.2
85.06530	5.8
91.05461	6.3
93.07036	6.6
95.04962	5.1
95.08590	5.3
97.02895	7.3
97.06519	2.3
97.10179	1.4
99.08085	5.9
105.07014	5.6
107.01318	3.1
107.08604	6.8
109.02878	8.8
109.06496	2.7
109.10143	5.3
117.06996	1.5
119.08575	4.8
119.29323	1.3
121.02904	1.6
121.06499	2.7
121.10139	6.3
123.08047	1.7
123.11717	1.7
125.02342	2.2
125.09632	2.6
127.03933	10.1
131.08543	2.3
133.10089	4.2
135.08047	1.6
135.11739	2.1
137.05966	5.6
137.09576	1.4
139.03903	6.6
139.11153	2.0
143.03384	4.8
143.08582	2.1
145.06429	1.4
145.10092	2.8
147.11641	4.3
151.03897	2.7
153.01836	100.0
159.11745	2.5
161.09700	1.5
161.13155	1.4
163.03931	1.9
163.07518	3.0
163.11237	2.0
171.02875	11.0
175.14780	1.5
179.14346	2.2
181.04956	4.6
189.12689	1.6
193.12370	1.3
199.14783	1.5
205.08626	7.1
217.08574	1.8
259.20602	9.9
277.21603	1.6
297.06021	5.5
315.07086	10.8
326.12061	1.3
328.13797	2.6
339.13239	2.4
340.13730	5.3
359.07123	1.4
367.12833	3.2
368.13300	3.9
493.21487	4.0
507.25797	1.7
525.29596	3.7
549.70795	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.9
57.03437	5.5
57.07079	100.0
57.86505	1.9
59.05003	81.8
60.64289	2.3
63.91912	1.9
67.05499	3.0
69.07069	5.6
70.81764	2.3
70.82134	5.9
71.08636	93.9
81.07050	3.4
83.08617	6.1
85.10185	89.7
89.06014	4.3
91.05478	2.1
95.08589	2.6
99.11726	9.2
101.09630	5.7
102.51817	1.9
117.09142	29.8
141.16411	7.7
175.13339	4.2
190.43741	2.1
199.20566	17.4
213.22107	2.3
256.26364	5.1
257.24713	22.7
295.26437	2.8
315.28879	3.0
477.88379	2.1
516.91583	2.2
524.50372	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	525.0112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	4.0
57.00050	0.7
71.50865	0.7
71.95237	1.1
76.54150	0.7
91.71901	0.6
98.97589	86.5
116.98627	38.0
116.99357	0.9
119.81554	0.8
134.99673	10.3
140.00160	0.9
153.00693	0.7
174.97591	0.8
182.06494	0.8
215.73621	0.8
216.98920	3.7
232.96828	1.5
234.99982	4.0
240.98769	12.7
250.97543	1.0
256.96771	2.1
257.96854	0.8
258.99838	95.5
260.00040	4.2
261.03104	2.6
263.02866	0.8
264.99020	1.4
274.97729	7.5
277.00867	71.0
278.01010	2.7
279.01288	0.7
281.64804	0.7
282.01199	1.1
283.00000	28.7
284.00146	2.4
285.00003	1.1
292.98813	1.4
296.82919	0.7
298.97842	5.6
299.98099	0.9
300.02441	1.3
300.97662	1.5
301.01007	20.9
302.01175	2.7
303.00925	1.3
314.95779	1.1
316.98926	6.6
317.99094	1.7
318.98660	1.0
340.99210	1.7
356.97128	1.2
358.96436	0.7
359.00119	12.7
364.98697	3.8
368.41873	0.8
382.99966	36.9
384.00232	2.1
401.01089	100.0
402.01318	8.0
403.01367	1.3
416.98691	0.8
419.02286	9.5
424.02740	2.6
425.01181	2.3
425.31119	0.8
432.69547	0.9
440.99030	3.0
441.98886	2.3
443.02676	3.5
444.02536	0.9
445.01617	0.8
458.99789	1.7
460.00092	1.6
500.98010	1.0
507.00305	8.1
525.01282	60.4
526.01532	6.3
542.98950	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	524.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.2
57.03436	2.0
57.07077	100.0
59.05000	40.1
60.54955	1.8
67.05496	2.5
69.07068	3.0
69.35303	17.4
70.07425	2.1
71.08632	74.4
73.02920	41.1
81.07059	4.6
83.08627	3.4
85.10181	56.1
87.04446	2.6
87.08068	2.6
89.06008	3.6
91.05478	2.6
97.10181	2.3
99.11742	12.5
101.09684	4.0
103.07591	3.3
113.13261	3.0
117.09137	17.3
133.08607	3.5
155.17958	7.3
199.39296	2.4
211.85667	1.8
213.22151	11.7
257.24664	3.4
267.15768	2.0
271.26297	15.1
280.22583	2.3
348.46661	2.1
397.35010	2.3
419.69092	2.2
438.42413	2.0
446.19327	2.5
452.26889	2.3
524.40613	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09827	1.0
51.88843	1.0
53.03941	2.1
53.34783	1.1
53.89031	1.0
54.02626	1.1
55.05513	19.3
57.03437	3.1
57.06791	2.3
57.07079	47.6
58.61224	1.0
63.85441	1.4
65.03949	2.1
67.05507	40.1
69.03442	1.6
69.06729	1.5
69.07074	19.9
71.04972	2.2
71.08639	30.8
71.51505	1.5
79.05500	18.3
81.07060	100.0
82.07396	1.7
83.04998	5.4
83.08627	18.3
85.06554	5.5
85.10187	18.2
91.05482	21.7
93.07034	11.1
95.04992	2.1
95.08613	42.8
97.06525	5.5
97.10178	7.1
99.08109	3.0
101.06067	1.6
105.07038	29.4
107.08618	9.5
109.06551	4.2
109.10169	14.4
111.08123	1.2
111.11724	1.3
119.08596	24.3
121.10149	17.6
123.08082	4.9
123.11707	33.5
125.13252	1.1
127.07553	2.3
131.08571	1.6
133.10085	1.7
137.09549	1.1
137.13272	4.6
141.09151	1.3
143.08655	1.0
145.10202	1.3
147.11697	72.1
150.17372	1.1
154.04381	1.1
165.12755	36.6
178.78517	1.2
183.13837	3.7
194.24802	1.1
221.22758	1.4
229.14302	5.7
239.23677	8.3
267.15927	43.4
285.17068	1.9
464.66217	1.1
523.39990	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3714
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05510	0.5
56.05042	1.5
57.03447	0.6
57.07079	2.8
58.06567	1.5
59.07382	0.3
60.08168	17.9
67.05499	0.7
69.07056	0.5
69.71084	1.3
71.07378	6.4
71.08633	2.2
74.93624	0.2
78.46122	0.2
81.07055	1.0
85.10181	1.4
86.09711	47.9
87.10056	0.3
95.08605	0.9
96.50688	0.3
96.83724	0.2
97.10189	0.4
98.20833	0.3
98.98466	3.8
103.22024	0.3
104.10751	94.9
109.10178	0.7
125.00011	27.6
163.01584	0.7
184.07352	100.0
207.55211	0.2
258.11020	0.9
268.07092	0.2
298.35703	0.3
341.30472	1.6
396.40710	0.3
447.28851	0.5
506.36087	8.1
524.37085	28.7
525.36877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.05518	13.1
57.03436	13.5
57.07084	15.3
59.04997	7.2
59.41136	1.9
65.03939	2.3
67.05507	100.0
69.07069	12.2
69.71673	9.4
71.04990	3.2
71.08626	9.9
77.53011	1.8
79.05493	26.3
81.07058	47.5
81.79260	1.9
83.08623	10.6
85.06538	4.0
85.10181	7.0
87.04468	4.2
89.05978	2.4
91.05476	19.2
93.07041	23.6
95.08617	24.4
97.06522	3.1
97.10159	3.0
105.07031	9.1
107.08559	11.5
109.10162	58.2
111.55478	1.9
113.31269	1.7
117.07010	3.5
119.08598	10.9
121.10134	12.1
123.11733	4.7
131.08592	4.9
131.85478	1.6
133.10120	4.5
135.11676	7.7
137.26183	1.6
145.10098	2.8
147.11694	4.9
149.13286	3.8
155.10649	4.6
159.11751	2.8
161.13278	3.9
163.14828	2.4
165.12717	2.1
166.39621	1.8
173.11780	18.4
173.13179	4.5
179.25507	1.9
196.29840	1.7
227.39030	1.8
229.14337	56.5
243.21149	4.7
261.22241	10.3
267.15897	2.0
268.16214	3.0
310.62247	1.9
314.27921	2.4
314.40500	2.0
317.25009	2.7
335.25797	64.5
412.16882	1.8
489.35818	34.3
524.40466	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.2
55.05502	25.6
57.03432	22.6
57.07078	60.0
60.08175	12.2
67.05517	44.0
69.07050	19.6
71.08638	42.4
71.51717	11.6
79.05489	29.5
81.03423	97.4
81.07066	39.6
83.04976	7.9
83.08611	40.6
85.10167	25.0
86.09730	32.2
91.05498	35.6
93.07024	18.3
95.04952	23.2
95.08620	41.0
97.10172	12.7
100.85771	5.0
104.10760	60.3
105.07023	23.1
107.08560	12.7
109.10128	24.3
111.08102	11.9
119.08557	24.3
121.10117	15.2
123.11729	9.0
125.00021	16.0
129.07069	6.8
131.08557	12.1
133.10141	7.1
142.20427	5.4
147.11646	9.1
149.13235	6.1
157.10114	16.8
172.95348	5.5
173.11684	7.2
175.11147	12.7
179.14328	15.2
184.07379	67.9
193.12270	60.4
211.13301	7.9
220.01727	6.4
240.25311	6.3
267.15924	92.6
277.21622	9.7
313.27417	100.0
344.71646	6.2
355.76004	6.5
505.39218	55.2
523.24133	8.8
523.39716	29.3
524.37036	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01890	2.7
55.05518	18.7
57.03439	3.0
57.07079	49.3
62.77889	1.4
65.03941	2.8
67.05509	35.1
69.07076	25.0
71.04984	3.7
71.08633	34.2
79.05505	17.4
81.03434	7.6
81.07062	100.0
82.62099	1.5
83.04993	5.3
83.08622	17.7
85.06545	6.0
85.10181	17.4
89.06026	2.0
91.05492	24.4
93.07051	15.3
95.04979	3.5
95.08614	41.5
97.06532	3.5
97.10181	6.9
99.08090	3.6
105.07030	30.6
107.08591	11.4
109.06534	2.6
109.10164	16.6
119.08588	25.3
121.10148	18.0
123.08103	4.0
123.11700	32.6
127.07584	3.7
128.93109	1.6
133.10170	2.5
135.11717	1.5
137.13269	3.8
141.09129	2.2
147.11696	59.1
165.12764	33.3
183.13806	4.7
193.12186	3.8
221.22668	1.9
227.00740	1.5
229.14259	4.6
239.23676	9.4
244.21265	1.6
267.15942	43.1
274.82162	1.4
313.27386	8.4
464.30765	1.7
497.70767	1.6
505.39011	3.3
523.40015	79.6
524.40674	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01863	1.4
55.05502	3.2
67.05486	3.3
69.03423	6.9
69.07066	6.5
70.06570	2.1
70.18407	4.4
71.04977	2.0
79.01853	4.4
79.05481	4.7
81.03414	7.7
81.07075	5.5
81.43463	1.1
83.04984	8.6
83.08653	1.6
85.02892	3.2
85.06540	2.3
88.15528	1.2
91.05482	2.7
93.07037	5.2
93.44749	1.1
95.04984	2.5
95.08605	10.6
97.02890	7.8
97.06543	2.8
99.04445	2.0
99.08095	2.0
105.07029	4.7
107.01334	2.5
107.08599	16.5
109.02863	5.0
109.06519	4.2
109.10166	9.9
111.08051	1.3
119.08590	4.3
121.06518	3.3
121.10146	21.7
123.08079	2.3
123.11705	2.7
125.02337	4.1
125.09624	7.3
127.03925	8.2
131.08569	2.8
132.56839	1.2
133.10141	7.8
135.08061	7.8
135.11708	3.3
137.05998	9.3
137.09590	5.5
139.03874	1.3
139.11169	3.4
143.03384	3.8
145.04977	1.5
145.10147	1.7
147.11679	4.1
149.09622	7.2
149.13287	9.3
151.03938	2.8
151.09966	2.3
151.11185	40.8
153.01842	100.0
153.02924	5.4
154.02150	1.4
163.07480	1.8
163.14822	8.7
165.05518	1.2
165.12756	3.6
171.02911	11.9
173.13243	7.6
176.77051	1.4
191.14325	40.1
209.08145	1.6
209.13489	2.2
209.15381	32.1
223.17384	1.2
231.11589	1.1
249.11214	1.1
249.67256	1.1
290.36081	1.2
297.05969	7.4
315.07031	6.0
343.16467	1.3
399.21997	1.4
465.65082	1.2
523.17810	1.2
523.30371	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.5
55.01855	3.4
55.05520	24.4
57.03448	27.1
57.07078	67.7
59.85382	3.7
62.08318	3.6
67.05515	43.6
68.55890	3.4
69.07069	16.7
71.04977	3.5
71.08638	51.8
79.05500	27.1
81.03420	84.6
81.07063	63.8
83.04988	9.4
83.08632	49.1
85.02904	16.6
85.10184	31.5
91.05499	33.3
91.66908	3.6
93.07050	18.3
95.04975	36.9
95.08607	47.5
97.02912	3.1
97.10162	12.8
98.20750	10.0
105.07037	24.1
107.04953	8.6
107.08587	11.4
109.06470	4.7
109.10136	17.1
111.08073	10.2
119.08580	18.8
121.10170	11.2
123.08091	3.9
123.11676	9.5
129.07024	12.5
131.08534	7.9
133.10126	12.1
142.07755	5.9
147.11667	13.9
149.09595	3.9
157.10110	12.0
161.09685	3.8
175.11174	14.8
193.12247	58.6
211.13274	41.7
239.23662	7.4
267.15915	59.9
311.24768	4.2
313.27393	59.8
420.19608	3.9
505.38928	33.3
523.39905	100.0
537.78650	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	523.2182
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
53.03939	2.1
53.69167	0.8
55.05502	1.5
65.03928	1.4
67.05492	3.9
69.03426	7.1
69.07058	1.8
69.35233	7.4
72.60724	0.9
79.01863	2.5
79.05509	5.0
81.03412	4.6
81.07059	7.3
83.04978	2.2
83.08619	1.0
84.63288	1.0
85.02895	3.7
91.05496	6.0
93.07037	2.7
95.04991	1.6
95.08593	3.2
97.02908	4.4
98.20765	1.9
99.04475	1.2
105.07043	7.5
107.01315	1.1
107.04957	2.9
107.08601	20.3
109.02884	4.3
109.06499	3.4
109.10159	6.0
115.05436	1.4
117.07006	1.5
119.08579	2.6
121.06501	2.9
121.10155	10.4
122.07279	5.9
123.70946	1.1
125.02321	3.3
125.03216	0.9
127.03938	7.4
127.82761	0.9
131.08597	2.4
133.10136	88.1
134.10474	1.3
135.08051	8.1
137.09624	48.5
138.28276	0.9
143.03377	2.4
145.04955	1.4
147.11638	1.8
149.13255	11.3
153.01837	100.0
153.02879	3.6
163.14780	1.3
171.02887	13.3
173.13255	4.7
191.14316	50.1
193.49620	0.8
198.74321	0.9
209.15384	3.3
244.80359	1.0
297.06036	7.5
315.07193	11.3
363.39066	1.0
375.17441	1.1
450.06580	1.1
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
55.05514	0.4
56.05031	0.6
57.03428	0.2
58.06364	0.2
58.06636	0.4
59.07395	0.1
60.08169	6.0
67.05495	0.5
69.07062	0.5
69.27355	1.2
70.06599	0.2
71.07381	3.3
79.05505	0.2
81.07063	0.4
82.52184	0.1
86.09710	29.4
90.89669	0.1
93.07059	0.2
93.27035	0.1
95.08604	0.3
97.10171	0.2
98.21136	0.6
98.98470	3.3
103.51205	0.1
104.10744	2.8
105.07027	0.1
113.67588	0.1
116.02287	0.1
125.00011	21.3
132.73340	0.1
138.38185	0.1
143.01067	0.2
184.07347	100.0
185.07668	0.6
186.68335	0.1
210.22044	0.1
258.11084	0.2
407.52789	0.1
436.96494	0.2
504.34628	0.9
522.35553	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00446	0.3
55.05510	1.6
56.05032	1.2
57.03441	0.7
57.07076	1.0
58.06581	1.7
60.08167	17.9
65.44778	0.3
67.05515	1.5
69.07065	2.2
71.07375	7.6
71.08635	0.6
79.05479	0.6
81.07079	1.9
81.84498	0.3
83.08617	1.3
85.10175	0.6
86.09711	54.1
89.06037	0.6
93.07069	0.5
95.08594	1.4
97.10146	0.9
98.98475	4.2
101.27678	0.3
104.10750	100.0
105.11092	0.4
107.08542	0.5
109.10191	0.5
118.10679	0.3
121.10164	0.8
124.82905	0.3
125.00011	30.9
131.12828	0.3
133.08641	0.5
135.90979	0.3
141.08650	0.3
153.79613	0.3
160.55862	0.3
163.01576	0.8
170.52448	0.3
177.11215	0.3
184.07350	99.1
185.07654	0.4
258.11102	1.6
327.94260	0.3
339.28934	1.1
407.96432	0.3
445.26929	0.4
504.34515	8.0
522.35583	23.4
523.35913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.1
55.05519	1.8
56.05043	2.4
57.03453	6.4
57.07096	1.6
59.05010	1.8
62.06095	4.0
67.05501	3.2
69.03084	1.9
69.03433	22.4
69.07056	3.7
69.46765	6.5
69.47172	1.9
70.06598	2.7
71.04603	2.7
71.04999	46.5
79.05490	3.6
81.03419	2.5
81.07072	9.2
83.04993	1.4
85.02908	18.2
85.06552	2.5
87.04476	14.5
91.05483	3.2
93.07053	4.5
95.04979	2.6
95.08619	5.8
97.02900	20.1
97.06541	1.3
98.20758	2.0
98.98289	1.2
99.04456	2.8
103.05473	1.3
105.07059	5.3
107.04992	1.3
107.08617	5.7
109.02902	1.5
109.06535	3.6
109.10149	2.5
112.42320	1.2
115.03953	18.4
119.08582	2.8
121.06534	3.8
121.10154	30.9
123.08031	1.6
123.11716	37.3
127.03923	3.4
133.04977	19.9
133.10156	5.7
135.11732	2.9
136.03963	5.0
137.05988	5.3
139.03914	3.1
145.04945	3.1
149.13274	2.7
151.03937	1.7
151.11189	6.2
153.01749	1.3
154.05017	3.7
165.12764	6.2
173.13278	2.0
175.14813	6.5
193.15897	100.0
194.16309	2.0
211.16957	66.9
297.11899	1.5
298.09296	1.4
344.53519	1.2
522.19141	1.1
522.31281	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32913	1.3
54.08677	1.3
55.05501	2.7
56.05012	1.3
57.03433	4.9
57.07093	1.7
67.05505	3.0
69.03087	2.2
69.03436	24.6
69.07052	3.3
70.06594	2.7
71.04995	51.0
72.08153	1.4
79.05486	1.8
81.03419	2.2
81.07070	10.0
85.02914	17.0
85.06527	3.9
87.04475	16.0
87.08138	1.9
90.10061	1.3
91.05473	2.9
93.07034	4.1
95.08609	3.6
97.02888	16.5
99.04380	1.4
100.38281	1.3
105.03432	1.2
105.07037	4.0
107.04994	2.0
107.08589	5.8
109.02842	2.3
109.06496	1.9
109.10130	3.6
114.48855	1.3
115.03932	16.2
119.08562	4.0
120.08128	1.5
121.06510	3.9
121.10141	30.0
122.10503	1.5
123.08075	1.7
123.11720	37.7
127.03905	2.6
131.08575	1.2
133.04976	17.9
133.10133	3.4
135.11650	1.6
136.03918	5.6
137.05951	5.5
139.03905	2.1
145.04962	2.6
147.08090	1.4
149.13232	2.6
150.07629	1.6
151.03914	1.5
151.11200	7.4
153.01894	2.9
154.04990	4.7
159.11621	1.4
161.13243	1.7
165.12730	6.6
165.16415	1.3
175.14793	4.7
179.06990	2.5
193.15889	100.0
211.16953	62.4
219.06558	1.3
228.99911	1.4
265.09912	1.4
349.14221	1.4
350.60809	1.3
352.79633	1.5
353.11417	1.9
361.08707	1.8
522.17963	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
54.55430	0.7
55.01875	3.1
55.05516	14.3
57.03437	2.8
57.07084	25.9
65.03942	1.1
67.05507	21.7
69.03429	1.7
69.07075	12.8
69.32294	6.2
71.04984	1.5
71.08635	17.8
73.02921	1.5
79.05500	23.6
79.05962	1.1
81.03431	2.9
81.07062	26.2
83.04993	3.8
83.08624	12.3
84.09032	0.9
85.02888	0.8
85.06545	1.1
85.09722	1.0
85.10196	9.4
91.05479	8.8
93.07053	30.8
93.07642	1.7
95.04983	6.6
95.08615	41.4
97.02911	3.6
97.06528	3.5
97.10155	3.8
98.21535	1.6
99.04469	2.5
105.04539	1.7
105.07044	7.6
107.04975	8.4
107.08610	23.3
109.06557	1.9
109.10172	10.0
111.04435	1.1
111.08115	1.2
117.07027	7.7
119.08588	9.8
121.06531	4.7
121.10158	11.3
123.08096	1.2
123.11748	2.3
125.06025	3.0
130.07790	0.9
131.08598	1.7
133.10132	2.3
135.08083	1.8
135.11703	39.0
137.13269	1.2
139.07562	2.0
143.08621	1.1
144.75383	0.8
145.10141	20.9
149.09576	0.8
151.14871	1.2
153.12747	1.8
155.08681	1.1
159.11775	1.3
163.11195	52.0
165.09180	0.8
169.10155	0.8
173.09619	1.0
175.11320	0.9
181.12251	10.8
193.12331	1.1
196.64130	0.9
203.14330	0.8
209.11761	2.3
221.15433	1.2
222.15797	1.1
227.12804	100.0
228.13153	1.2
239.23819	3.8
256.17969	1.1
285.41364	0.9
303.19955	0.9
304.19955	1.7
313.27292	1.1
503.35553	1.1
506.33408	0.9
521.38446	61.4
522.38074	1.7
544.50800	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
58.88085	0.5
69.03425	2.3
69.41898	3.7
69.42308	1.0
70.06577	1.1
71.04967	0.7
72.08157	0.7
79.05492	0.7
80.90753	0.5
81.03414	0.7
84.04495	0.7
85.02907	7.4
89.03912	3.9
91.05466	1.0
97.02882	2.9
98.21481	1.0
99.04430	0.7
107.04967	3.6
109.02857	0.9
116.07111	1.0
117.03392	6.1
121.06519	5.7
122.02732	0.7
123.71063	0.7
126.05542	1.7
127.03936	1.9
135.04428	15.7
137.05928	0.8
139.03914	1.0
145.02864	13.2
145.03992	1.1
145.04964	1.6
153.01831	2.4
163.03915	100.0
164.04329	0.9
181.04962	48.6
188.07031	1.0
196.13379	0.6
324.19455	0.7
325.09116	0.7
342.20596	2.3
360.21716	1.0
522.27142	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	521.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64509	2.9
59.32555	3.5
69.55394	21.9
79.84560	3.0
85.70706	2.8
98.20691	3.3
118.06561	25.4
130.06569	3.2
131.07253	3.3
132.08092	7.6
144.08067	13.5
146.06020	68.8
159.09239	4.9
170.05890	4.0
188.07086	100.0
205.09767	41.3
340.43515	3.3
389.14349	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.7
55.01854	8.4
55.05263	5.1
55.05520	19.4
55.67572	5.3
57.07071	7.3
58.41254	5.6
67.05509	41.7
69.03419	20.5
69.07078	73.5
69.88939	5.3
70.04104	7.2
70.06586	5.9
71.04978	14.6
71.17888	10.4
79.05491	28.8
81.03422	7.1
81.07064	100.0
82.04083	11.5
83.04984	8.2
85.02906	14.8
85.06539	25.9
91.05491	18.3
93.07050	63.2
95.04969	16.1
95.08622	59.7
97.06549	9.7
99.00829	15.9
99.04472	16.9
105.07043	25.0
107.08603	36.7
109.02970	6.1
109.06516	10.2
109.10197	37.2
111.08119	11.3
111.11732	10.7
119.08538	27.1
121.06519	8.1
121.10140	54.7
123.08116	11.8
123.11698	29.2
125.09706	5.8
131.08578	6.5
133.10123	15.9
135.08081	14.7
135.11699	20.5
137.05984	25.0
137.09547	5.5
139.03889	31.0
139.11200	15.6
145.10114	12.6
147.08041	7.4
147.11653	11.0
149.06003	7.4
149.09587	5.3
149.13298	13.6
151.03888	10.2
151.07578	17.4
153.01845	15.3
153.05423	8.6
158.97673	22.5
159.11754	10.2
159.98015	12.6
160.97397	10.1
161.05981	11.8
161.09619	6.8
161.13260	5.8
163.07510	10.8
173.13197	5.9
175.11185	6.1
177.05466	11.5
177.12651	6.8
179.07072	6.8
181.04993	25.2
181.12206	7.2
183.06503	15.2
185.13269	7.1
186.97229	10.7
189.09108	18.1
195.06519	52.7
195.13800	6.2
199.14828	6.2
207.10211	10.2
209.08139	17.3
221.07935	6.8
223.09683	46.8
237.11264	19.5
249.11226	5.4
256.00430	56.6
257.00757	49.5
258.00146	50.4
275.12637	5.8
289.14441	5.8
291.15826	6.8
293.24695	9.9
305.24777	22.1
317.17593	30.9
323.25940	17.0
335.18616	9.9
357.20636	22.0
358.07132	15.9
359.07504	36.6
359.11188	12.2
360.06815	20.3
375.21619	7.4
415.24783	11.6
457.25922	8.5
467.24362	21.0
479.17096	7.0
485.25397	74.9
503.26508	35.5
521.27063	64.6
531.28760	7.4
537.88525	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	521.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08189	1.2
55.01856	1.3
57.03428	1.2
61.02913	1.3
69.97528	1.0
70.06603	6.5
71.51109	1.7
72.08149	5.5
73.02943	1.2
77.77789	1.1
79.05492	1.7
83.04962	1.2
84.08125	1.8
85.02908	3.1
91.05480	4.7
94.06558	1.8
95.01339	3.2
97.02880	1.4
99.04414	1.2
103.05469	1.9
108.79259	1.1
115.08680	2.0
116.07063	1.5
117.05487	2.4
117.28934	1.0
119.04942	5.1
121.06509	4.3
122.06020	4.5
127.08738	1.9
137.05980	4.1
140.07060	10.5
142.08681	1.2
145.02811	1.5
146.06018	23.7
147.04407	3.4
149.06041	1.4
153.01843	2.2
154.08575	1.9
158.06000	2.9
160.03859	1.2
162.05518	1.5
167.07060	4.7
170.06024	1.3
172.03935	3.9
173.04730	3.6
174.05536	5.5
175.03937	9.4
177.05424	4.3
179.07024	1.1
180.06546	1.2
181.08559	1.3
184.03828	1.5
184.07504	1.5
186.05521	8.4
188.07098	2.5
190.04927	1.7
191.05800	1.8
198.05533	3.0
204.06610	10.1
205.04980	10.5
206.08128	4.6
207.06555	7.6
209.08054	8.0
210.05473	1.9
212.03491	3.9
212.07059	4.6
214.05009	59.5
225.27306	1.4
228.06557	2.1
230.04472	12.6
240.06567	5.8
242.04453	6.9
254.04396	3.9
256.06046	3.6
260.05588	1.3
266.04510	3.0
268.06039	3.4
270.03986	32.8
272.05557	14.3
282.03799	1.8
284.05484	2.9
286.07135	2.0
288.05020	1.7
293.15015	2.2
294.03928	1.5
295.16568	1.4
312.05051	16.3
313.11816	13.8
330.06119	86.0
331.12790	3.2
336.06918	1.5
345.14355	6.1
345.18335	2.3
348.07144	21.1
350.08157	1.3
362.08725	100.0
363.09085	2.5
380.09769	17.7
406.22623	1.2
489.15067	17.9
521.17474	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66502	0.1
55.05509	0.2
56.05029	0.6
56.40599	0.1
57.03435	0.1
58.06636	0.5
59.07393	0.2
60.08163	6.3
63.34196	0.1
63.50083	0.1
67.05501	0.7
69.07076	0.3
69.80545	0.4
70.06551	0.1
71.07372	3.2
78.49677	0.1
79.05485	0.3
81.07051	0.6
83.08636	0.1
84.65829	0.1
86.09705	32.0
87.10061	0.1
91.05489	0.2
92.69128	0.1
93.07027	0.2
95.08606	0.4
98.20824	0.1
98.98464	3.6
104.10743	3.2
105.07039	0.1
109.06559	0.1
109.10172	0.2
121.10181	0.1
125.00003	22.4
184.07338	100.0
185.07671	0.4
204.42354	0.1
205.86069	0.1
258.11014	0.2
293.79343	0.1
337.27298	0.1
357.67551	0.1
402.83908	0.1
502.33078	0.9
520.34033	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22947	0.4
54.10332	0.4
55.05499	1.4
56.05029	1.7
58.06604	1.6
60.08168	17.7
67.05503	3.8
69.07072	0.9
69.23746	0.5
69.74168	1.7
69.74586	1.2
71.07381	7.1
79.05491	1.2
79.11899	0.5
81.07056	3.1
83.08553	0.6
85.52737	0.4
86.09712	52.7
93.07037	0.7
95.08587	2.4
98.20846	0.8
98.98466	4.1
99.29938	0.5
104.10750	97.5
105.07105	0.4
105.11050	0.6
125.00012	28.2
133.10144	0.7
163.01517	0.7
180.23051	0.5
184.07352	100.0
231.87350	0.6
258.11075	0.8
307.36703	0.5
337.27133	1.0
347.98672	0.6
502.32904	7.5
520.34003	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	520.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
64.03608	0.3
70.06607	0.9
70.07224	0.7
70.07596	1.2
72.08160	0.8
81.03433	0.7
85.02915	0.5
86.09682	0.4
93.07027	0.8
93.73557	0.4
98.20850	0.6
103.05492	0.4
105.03414	0.7
109.02847	0.5
114.12811	0.4
116.07121	0.7
121.06513	7.9
122.06049	0.6
123.04424	0.8
127.03958	0.5
132.04517	0.7
139.03943	0.6
142.13493	0.3
143.03421	0.4
150.05550	0.6
151.03943	0.6
151.07576	1.0
153.01840	7.9
153.03006	0.8
154.08594	0.4
156.10120	0.4
160.03979	1.1
164.07068	0.4
165.05487	0.5
170.14862	0.4
178.05009	80.3
179.05417	0.7
196.13327	6.1
206.04504	100.0
207.04837	1.3
273.07700	0.7
290.10196	1.7
297.06097	0.6
352.17410	0.6
368.09793	5.4
390.84235	0.4
520.10907	8.3
520.18140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
55.01873	2.7
55.05509	5.8
57.03429	3.9
59.04988	2.5
61.02908	1.9
67.05497	7.6
69.03427	10.9
69.07060	6.8
70.06604	3.6
70.84387	3.6
71.04989	11.5
79.01894	2.4
79.05488	10.0
80.05711	1.8
81.03424	11.3
81.07059	31.6
83.08647	2.4
84.75078	2.0
85.02918	11.9
85.06550	4.2
87.00818	6.9
91.05466	11.2
93.07059	15.3
95.08613	13.4
97.02908	13.2
97.06534	4.1
97.10188	4.0
99.04404	3.0
99.08074	10.8
105.01815	2.8
105.07030	33.7
107.01334	3.2
107.08601	18.8
109.02879	9.9
109.10207	10.4
115.67167	2.0
117.06969	3.6
119.08591	14.9
120.08087	2.0
121.06505	5.7
121.10152	11.9
123.11739	3.7
125.02370	2.3
125.09618	23.7
127.03916	15.3
127.07590	5.5
129.07007	2.0
131.08572	5.1
133.10141	53.6
135.11679	3.6
137.05989	6.1
139.03888	3.1
143.03409	2.9
143.10683	52.6
145.05019	2.2
145.10182	12.4
147.04428	3.8
147.11714	17.5
149.02347	1.7
149.13281	5.1
151.03996	2.2
151.11156	2.8
153.01842	100.0
153.02905	4.8
157.10036	2.6
159.11676	5.6
161.13239	7.5
163.36130	1.8
167.14325	7.1
169.12244	2.1
171.02916	12.6
173.13251	2.4
201.16420	12.1
212.12840	3.3
219.17435	31.5
237.18495	7.8
297.05994	6.5
300.06128	3.3
315.07132	15.6
321.30615	1.9
476.29465	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	519.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81166	4.2
59.28655	3.5
59.87796	3.7
71.50690	5.2
72.08089	3.9
73.04765	8.5
76.03828	3.8
85.02913	4.8
91.05814	8.6
108.08140	4.9
117.07164	3.9
118.06565	17.3
132.08070	5.7
136.69179	3.7
139.03934	6.9
144.08107	10.3
146.06027	58.9
149.04527	5.4
149.89261	3.9
153.01900	5.1
159.09230	4.5
167.05548	11.8
188.05505	8.1
188.07082	100.0
205.09727	41.1
254.80376	4.4
266.99933	7.0
283.03088	6.0
299.06137	21.8
422.37247	4.8
519.07532	7.0
519.15088	11.3
519.22168	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	519.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14378	9.3
55.05505	36.8
57.03439	17.5
57.07072	17.7
59.69907	9.9
62.65076	9.1
67.05511	55.2
69.03432	43.4
69.07072	43.5
71.05013	17.4
79.05492	44.0
81.03416	21.0
81.07070	100.0
83.04989	24.4
85.02917	30.6
85.06546	58.4
86.09712	35.3
91.05476	39.0
93.07052	63.0
95.04968	31.4
95.08613	65.2
97.02892	19.5
105.07041	59.2
107.08630	61.6
109.02877	10.3
109.06544	31.4
109.10157	58.6
111.08101	11.8
111.11742	11.9
117.07014	12.7
119.04971	12.6
119.08611	44.0
121.06488	17.0
121.10186	50.3
123.08138	12.9
123.11726	35.7
125.09621	48.8
127.03927	11.9
127.07718	10.5
129.06972	10.2
131.08600	16.4
133.06496	35.7
133.10144	33.6
135.04399	15.7
135.11707	31.7
137.06023	45.1
138.84314	9.9
139.11205	30.0
145.10162	23.3
147.04445	21.3
147.11707	39.4
149.09583	14.0
149.13271	17.6
151.03882	12.5
151.07532	13.9
151.11145	22.1
151.65596	9.5
153.01845	18.9
157.10127	14.6
157.12268	15.3
158.97707	35.6
159.11635	16.3
161.13335	14.1
165.12785	17.2
167.05586	20.4
167.08212	31.1
168.08504	26.2
177.05379	10.9
177.12807	12.4
187.14842	11.7
256.00323	77.3
299.06119	35.6
303.23166	38.3
308.22360	13.6
321.24246	81.4
344.97430	17.1
358.07169	45.7
500.40277	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	518.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.0
67.05504	17.4
69.03421	5.1
69.07066	23.8
69.68241	4.1
70.84032	7.0
70.84338	7.3
79.05508	10.4
81.07066	43.5
83.08604	9.3
85.02919	5.9
85.06509	3.7
91.05511	8.0
93.07058	22.6
95.04900	6.9
95.08607	23.9
97.10181	5.9
105.07035	23.8
107.08589	27.7
109.06472	6.2
109.10147	20.6
119.08586	19.1
121.06519	8.2
121.10152	20.9
123.11703	14.6
131.08565	7.4
133.10127	17.8
135.11720	15.8
137.09566	4.2
137.13261	5.6
139.11108	6.0
145.10098	8.4
147.08093	4.7
147.11707	16.3
149.09625	6.1
149.13255	9.2
153.01732	4.9
157.10199	5.3
159.11662	11.7
161.09665	20.3
161.13359	5.7
173.09520	4.7
173.13313	5.3
175.14851	10.1
187.14833	4.4
201.16327	9.5
203.17998	6.4
246.12384	4.3
247.17085	6.8
285.22131	12.6
303.23209	100.0
321.24243	17.6
333.24164	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	518.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.2
57.03434	2.6
58.06603	1.9
59.97873	1.3
60.08162	17.1
67.05505	18.6
68.05828	1.9
69.03436	1.6
69.07064	5.7
71.07379	8.2
71.51233	1.4
76.67856	1.3
79.05492	15.9
81.07060	22.4
81.21699	1.3
82.07397	2.9
83.08626	3.9
85.02919	3.0
86.09710	51.2
91.05473	10.1
92.89245	1.3
93.07047	21.0
95.04983	2.8
95.08609	15.4
97.10191	1.5
98.98475	3.9
99.08086	1.8
104.10748	91.3
105.07044	9.4
107.08601	11.5
109.06546	2.3
109.10132	6.4
113.00014	4.9
117.07014	2.0
119.08595	5.5
121.06531	1.9
121.10159	9.7
123.08135	2.2
123.11696	3.0
125.00009	26.9
129.07118	1.6
131.08595	7.8
133.10133	6.7
135.11696	6.3
137.13249	1.6
143.08592	1.7
145.10094	7.1
147.11652	3.9
149.13281	4.6
159.11726	4.7
161.13304	1.3
163.14880	2.8
173.13266	3.1
179.14299	1.8
184.07344	100.0
229.19522	8.0
229.93108	1.3
247.20598	14.2
258.11072	1.4
261.02460	1.4
275.19870	1.5
289.21628	2.1
315.26932	1.4
321.24146	2.0
339.25424	3.3
364.14539	3.2
373.23917	1.7
406.30124	2.8
500.31125	6.6
518.32312	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	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
56.05026	1.6
58.06606	1.8
59.07393	0.5
60.08165	15.5
62.31871	0.4
67.05497	2.6
71.07378	6.2
71.16451	0.9
79.05492	2.0
81.07047	1.9
86.09709	51.3
91.05479	0.9
93.07039	1.5
95.08599	1.4
98.98473	3.8
104.10747	100.0
110.58664	0.4
117.20661	0.5
122.89111	0.5
125.00011	27.1
132.25046	0.5
133.44934	0.5
163.01483	0.6
166.06319	0.6
184.07347	89.9
197.08578	0.4
258.11127	1.2
294.93744	0.6
335.25983	1.0
351.94708	0.5
500.31387	7.4
518.32458	22.0
519.32794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96550	0.1
55.05501	0.2
56.05040	0.7
58.06641	0.4
59.07423	0.2
60.08169	6.7
67.05503	0.5
67.81255	0.1
70.05893	0.2
70.06310	0.4
70.34196	0.1
71.07378	3.1
79.05485	0.2
80.97495	0.1
81.07065	0.5
86.09711	33.7
91.05488	0.3
93.07052	0.4
95.08601	0.4
97.62109	0.1
98.20844	0.2
98.98474	3.9
104.10754	3.3
105.07006	0.1
106.22513	0.1
107.08612	0.1
109.10184	0.2
121.10119	0.2
122.71611	0.1
125.00012	23.0
184.07352	100.0
185.07646	0.3
214.62624	0.1
258.11050	0.1
335.25900	0.2
346.67310	0.1
500.31549	0.9
518.32452	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.5
54.03183	0.6
55.05513	0.8
57.03444	1.1
57.07064	2.8
58.79958	0.4
59.02489	6.5
65.03943	0.6
67.05507	1.1
69.03432	3.2
69.07068	0.8
69.45155	3.2
71.04996	2.3
72.08171	0.8
72.87609	0.5
75.15394	0.5
77.03930	0.9
78.28954	0.5
79.05499	8.9
80.77133	0.5
81.03424	6.0
81.07059	2.1
83.01848	0.6
83.04994	0.9
85.02910	4.2
91.05486	3.1
93.07037	0.8
95.04971	1.4
95.08614	1.2
96.04461	0.5
97.02915	2.9
99.04464	1.1
100.11259	0.5
103.05480	1.6
105.04552	0.5
105.07030	13.0
107.04944	3.4
107.08592	7.0
109.02883	2.9
109.06523	27.0
109.10170	1.0
111.04446	0.5
113.06075	0.7
119.04948	3.9
119.08586	0.8
121.06481	0.5
121.10157	0.8
122.03870	0.4
122.06054	2.4
123.04447	0.9
123.08065	6.8
125.05968	1.1
125.09708	0.5
127.03937	2.1
131.08574	1.2
132.04472	0.7
133.06500	85.9
134.06866	1.1
135.04425	37.9
137.06009	0.6
137.76331	0.5
145.04971	1.0
147.04419	14.7
148.04840	0.5
149.07121	1.7
149.13179	0.5
151.07565	6.0
151.11110	0.7
152.07060	4.4
164.09181	0.5
165.12758	1.3
167.08168	100.0
168.08549	0.8
173.13214	0.7
184.56999	0.6
188.40173	0.5
191.14227	0.5
199.78586	0.5
209.09213	2.1
209.15395	2.5
210.79298	0.5
223.14420	34.4
277.10721	6.0
291.08548	0.5
295.11636	4.4
297.09512	1.6
299.13739	0.8
447.16730	5.1
461.19073	0.9
471.57437	0.5
517.25031	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3889
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03942	3.3
55.01864	1.7
55.05268	1.5
55.05513	15.5
56.05843	1.4
57.03443	5.7
57.07062	2.6
63.60384	0.9
65.03931	3.2
67.05505	33.1
68.05878	1.0
69.07070	16.4
71.08608	1.5
79.05496	27.1
80.35134	0.9
80.99719	1.0
81.06588	2.1
81.07057	37.7
81.07536	2.4
83.04989	2.2
83.08617	9.6
85.06554	1.8
91.05484	25.1
93.06476	2.2
93.07044	29.7
93.07642	1.6
95.04966	2.3
95.08613	31.8
97.06532	3.4
97.10167	4.3
105.04515	1.1
105.07041	26.5
107.08591	17.5
109.06551	1.4
109.10163	11.8
111.08089	1.9
111.11706	1.4
112.99980	1.5
117.07026	9.4
119.08581	24.6
119.09373	2.0
121.10149	15.0
123.08099	1.5
123.11720	4.9
129.07001	5.8
131.08562	18.5
133.10126	19.0
135.11713	7.8
137.09631	1.5
141.07033	1.6
143.08583	5.7
145.10138	18.2
147.11699	13.1
149.09666	1.6
149.13268	5.0
155.08591	2.5
157.10143	6.9
159.11708	13.1
161.13239	6.0
163.14799	3.0
163.27014	1.1
169.10146	4.6
171.11745	6.6
173.13240	10.8
175.14844	3.2
179.08568	1.5
179.14336	1.4
181.10172	1.8
183.11739	4.2
184.33165	1.1
185.13188	4.9
187.14827	5.8
189.16396	1.9
195.11761	1.8
197.13301	2.8
199.14876	2.8
201.16382	2.9
209.13377	2.8
211.14911	3.3
213.16473	1.9
221.13416	2.8
223.14833	1.5
227.18182	1.2
235.15022	1.2
235.17085	1.3
241.17886	1.5
245.19165	1.1
253.19531	1.3
257.19162	1.1
259.20584	3.0
261.18604	1.1
273.22205	2.0
285.22101	1.6
287.23749	2.4
299.23749	2.1
301.25443	2.0
313.25375	2.3
333.24469	1.7
405.30246	1.3
407.33115	3.4
419.31686	1.4
425.34418	11.6
443.35361	6.7
499.38202	18.1
517.39008	100.0
518.39185	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	517.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32863	0.5
53.03931	0.9
55.05508	1.4
57.03435	0.7
59.05006	0.8
65.03934	1.8
67.05498	2.4
69.03439	2.8
69.07066	2.4
71.05004	0.8
71.51815	1.0
79.05493	1.9
81.03429	3.0
81.07063	3.9
83.04993	1.5
85.02881	1.7
91.05486	10.7
93.07044	2.9
95.04966	1.1
95.08614	3.5
95.88742	0.5
97.10190	0.8
99.04418	1.0
105.07040	2.9
107.04958	0.8
107.08577	4.9
109.02872	0.8
109.06528	0.9
109.10149	2.7
115.05393	0.6
117.07007	0.7
119.04947	18.1
119.08570	2.0
120.08132	0.8
121.10168	3.4
122.07309	1.4
123.11727	0.9
127.03912	1.2
131.08556	1.6
133.10144	18.3
135.08054	2.0
137.09625	11.3
137.91370	0.6
139.03906	2.3
145.10112	1.2
147.04417	100.0
147.11688	1.1
149.09654	0.9
149.13254	2.5
151.03915	1.4
153.01834	1.9
157.10083	0.6
159.11740	0.8
161.06000	0.6
163.03918	0.7
163.14914	0.6
165.05464	5.5
173.13246	1.4
180.32481	0.6
191.14322	6.5
212.04425	0.6
219.75201	0.6
269.13889	0.6
291.08636	3.6
309.09750	4.6
313.10211	0.6
423.11710	0.6
517.28064	1.1
532.38550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.9
55.01867	0.6
55.05500	0.8
65.03952	1.4
66.31902	0.3
67.05502	1.6
68.99780	0.7
69.03414	1.0
69.07071	0.6
70.06597	0.3
70.41099	0.8
70.45902	0.2
79.05473	0.8
80.37588	0.2
81.03419	0.5
81.07050	2.5
82.30107	0.3
83.04972	0.3
85.02903	0.4
91.05455	1.0
93.03371	0.5
93.07042	0.7
95.04968	0.8
95.08601	1.0
97.02882	0.5
97.10153	0.3
98.09641	0.3
105.07032	1.0
107.04945	0.3
107.08577	0.7
109.06513	0.3
109.10136	0.5
111.00832	0.6
111.04444	1.1
112.03965	8.3
113.04311	1.9
119.08569	0.9
121.02896	1.7
121.06499	0.3
121.10140	0.8
123.04443	2.5
123.11679	0.6
127.03909	0.6
133.10130	0.3
134.96208	0.3
137.05963	0.5
139.03902	100.0
139.11154	0.5
140.04279	0.3
143.08522	0.4
147.04471	0.4
147.11639	1.4
149.05988	0.4
151.03905	6.9
153.01808	0.3
153.05437	0.4
161.06003	0.3
163.03906	5.3
165.12778	0.8
173.06039	0.5
173.13184	0.3
177.05579	0.5
179.06955	0.4
181.04895	0.6
201.05466	0.4
205.04953	1.5
206.53735	0.2
213.23099	0.3
289.07095	7.5
319.22958	0.3
319.95972	0.3
501.26038	0.3
517.18854	1.5
517.26459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00700	1.5
53.03947	5.4
55.01867	2.6
55.05517	65.2
57.03447	40.1
57.07081	69.2
59.05010	3.0
60.56916	1.9
67.05512	77.2
69.07075	89.7
71.05002	5.1
71.08638	46.8
75.04489	8.2
77.03941	1.9
79.05500	32.2
81.07065	100.0
83.04993	6.2
83.08627	68.1
85.06538	7.9
85.10191	25.2
87.08144	1.7
91.05487	9.1
93.07057	43.1
95.04965	3.5
95.08617	83.7
96.08889	1.7
97.06541	15.7
97.10179	43.6
98.20798	8.0
98.21515	6.1
99.08117	4.1
99.11760	2.8
101.06038	2.0
102.53911	1.7
105.07037	9.6
107.08597	31.6
107.09293	2.3
109.10170	44.5
111.08051	9.9
111.11753	12.3
113.06039	3.6
115.07575	2.7
119.08601	4.3
121.10165	36.6
123.11720	18.0
125.09625	10.9
125.13270	2.4
129.09131	2.5
131.07056	7.3
131.08578	4.7
133.10103	3.9
135.11708	36.1
137.13255	6.9
139.11159	9.6
143.10619	2.2
145.10181	3.0
147.11751	3.2
149.13272	16.8
151.14841	4.8
153.12814	8.1
161.13350	2.1
163.14824	10.5
165.16399	2.1
167.14349	4.4
171.13846	2.7
177.16409	5.3
181.15895	3.6
191.18037	5.8
195.17497	4.2
195.78520	1.5
199.16904	3.8
205.19519	2.4
207.21175	1.7
209.19048	5.7
223.20508	3.0
227.20099	2.2
229.51149	2.0
237.22128	3.0
241.21671	3.0
247.24007	2.2
251.23756	2.6
276.21997	2.0
303.30566	7.7
305.06580	2.0
313.28909	4.1
321.31485	14.0
331.30035	15.9
340.90750	1.7
341.52362	1.9
349.31039	47.9
367.32172	4.9
385.28082	3.7
385.33136	77.3
423.34766	45.2
441.35806	67.7
497.38611	25.8
515.39465	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	516.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29590	0.7
55.05265	1.1
55.05513	9.8
63.75124	0.8
63.92397	0.6
68.02697	0.6
70.06587	0.8
70.07849	2.4
70.08260	1.4
70.70194	0.6
83.08621	7.4
90.87691	0.6
93.07055	1.2
100.11263	97.3
102.24345	0.7
117.13902	1.2
121.06522	13.7
124.59554	0.6
139.08702	1.4
153.01831	4.0
166.89507	0.7
177.05475	0.8
199.52054	0.7
209.16505	19.5
227.17549	100.0
228.17926	1.8
230.28636	0.7
273.07523	0.7
290.10178	2.5
412.79773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34582	1.3
53.03942	6.4
55.01862	2.6
55.05521	22.3
57.03423	5.9
57.07069	3.1
60.15113	1.4
65.03944	2.2
67.05508	56.8
69.07077	19.0
69.36961	2.8
69.37362	10.0
71.01327	2.2
71.04991	3.8
79.05494	55.2
81.03405	3.5
81.07062	45.7
83.04976	6.8
83.08620	6.8
85.06558	3.7
91.05485	37.4
93.07047	61.9
94.29937	1.4
95.04968	6.8
95.08613	23.2
97.06530	8.1
97.10175	9.1
99.08105	2.6
101.01031	1.6
105.07037	22.6
107.04943	3.6
107.08605	34.5
109.10151	12.8
111.08103	2.0
117.07014	12.0
119.08595	17.9
121.10144	18.9
123.08090	1.5
125.09631	1.9
129.07013	4.3
131.08583	16.1
133.10159	11.2
135.11702	35.9
143.08597	8.6
145.10156	18.4
147.11674	7.3
149.13254	4.1
155.08514	2.6
157.10146	8.0
158.45616	2.0
159.11740	8.7
161.13271	3.9
163.11211	4.7
169.10117	3.5
171.11749	6.2
173.13321	6.8
175.14774	2.2
181.10146	1.9
181.12233	5.5
183.11823	1.8
185.13319	3.3
187.14810	3.8
199.14865	2.6
261.22147	3.3
317.24817	1.9
405.31525	4.1
423.32617	9.4
441.33737	3.2
497.36356	2.0
515.37384	100.0
516.37854	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	515.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
54.45522	0.8
55.01867	2.4
55.05269	1.2
55.05517	18.5
57.03443	6.9
57.07070	2.5
64.35318	0.8
65.03933	2.0
67.05509	59.1
69.03429	1.1
69.07072	17.4
71.00915	1.6
71.01341	2.5
71.04995	3.4
77.03948	1.2
77.93146	0.9
79.05499	52.3
81.03425	3.8
81.07064	42.4
83.04986	6.9
83.08624	6.2
85.06559	3.2
91.05489	31.4
91.05934	0.7
92.17475	0.9
93.07052	55.3
95.04986	5.6
95.07681	0.9
95.08619	20.9
95.09180	1.8
97.06539	7.2
97.10188	6.4
99.08104	2.2
103.05527	1.2
105.04532	2.1
105.07040	21.7
107.04971	2.7
107.07880	1.6
107.08604	29.0
109.06573	1.2
109.10163	11.4
111.08074	2.3
111.11686	1.3
113.09612	1.0
115.05447	1.5
117.07021	12.1
119.08597	18.0
121.06541	1.4
121.09326	1.3
121.10157	16.2
123.08064	1.4
123.11720	2.0
125.09622	2.2
128.06268	1.4
129.06999	5.5
131.08585	15.2
133.10138	11.7
135.08096	1.6
135.11703	34.5
135.12732	1.8
137.09674	1.4
141.06999	1.4
142.07777	1.0
143.08575	6.7
145.10133	17.4
147.11700	6.4
149.13237	4.3
151.11208	1.1
153.12798	1.4
155.08601	2.5
157.10176	7.0
159.11736	9.1
161.13281	4.7
163.11174	4.4
163.28653	1.0
169.10153	2.6
171.11682	5.5
173.13298	7.3
175.14864	1.4
181.10226	1.2
181.12288	5.8
183.11719	3.0
185.13301	3.9
187.14857	3.7
195.11792	2.0
197.13307	2.6
199.14890	3.1
201.16377	1.1
205.15971	0.8
211.14983	1.7
213.36841	1.0
215.17825	1.1
216.40599	0.9
223.14897	1.6
243.21222	1.0
248.13570	1.0
257.18744	1.1
261.22247	2.6
264.42938	0.9
290.83917	0.9
297.22324	1.4
299.23770	1.4
306.00299	0.9
317.24896	1.0
335.25922	1.0
405.31650	3.9
423.32651	8.3
441.33698	4.0
459.34702	1.8
479.35175	1.0
497.36423	3.7
515.37354	100.0
516.37573	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32648	4.8
55.01862	5.5
55.05516	34.2
57.03440	16.6
57.64039	5.9
61.02923	11.4
65.03919	7.8
67.05512	88.8
69.03432	23.6
69.07061	24.4
71.04982	7.9
71.40369	6.0
71.91994	5.2
72.70762	5.7
72.74820	5.7
73.02917	6.0
79.05505	81.4
81.03412	14.1
81.07056	100.0
83.04990	15.0
83.08623	12.3
85.02927	10.9
85.06522	7.7
91.03948	9.1
91.05493	63.1
93.07044	81.7
95.04961	10.6
95.08607	80.4
97.02869	8.1
97.06493	9.3
97.10158	9.5
99.08115	12.6
105.07051	42.9
107.04975	7.2
107.08603	52.0
109.06516	19.7
109.10164	31.1
111.08090	7.3
117.07027	25.6
119.08574	34.5
121.06503	8.5
121.10139	41.9
123.08057	7.2
123.11713	17.0
125.09631	7.2
129.07008	10.7
131.08569	37.4
133.10132	29.0
135.08099	7.0
135.11729	27.4
143.08557	13.5
145.10213	29.5
147.11674	20.4
149.13249	24.7
157.10112	12.2
159.11736	18.2
160.04910	5.7
161.09636	7.4
161.13225	11.5
163.14813	14.0
171.11711	12.2
172.21191	5.8
173.13274	21.7
183.11700	11.6
185.13243	8.9
187.14842	15.5
243.21178	15.2
259.20453	6.3
261.22137	60.0
271.20825	6.5
285.22122	6.7
303.23224	11.6
330.57513	6.8
335.25912	11.4
353.26804	21.4
369.24338	8.7
387.25241	8.3
405.26620	8.8
419.28036	10.3
443.27869	5.9
479.30133	8.4
497.31155	11.5
515.37286	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72863	4.5
53.03942	8.2
53.12183	4.4
55.01847	4.2
55.05504	19.8
57.03429	12.2
59.32649	4.4
67.05506	88.2
67.95803	4.3
69.03423	12.9
69.07066	25.0
70.10189	8.3
70.10604	12.9
75.52715	4.1
79.05492	54.7
81.03400	11.0
81.07059	100.0
83.05000	7.4
83.08597	10.4
85.02912	9.7
91.05472	34.0
93.07049	62.0
95.04907	9.1
95.08608	62.7
97.02883	7.9
97.06530	9.4
97.10159	9.1
105.07058	40.5
107.04948	6.1
107.08595	39.1
109.06503	11.3
109.10177	25.5
111.08056	8.3
117.07006	24.7
119.08597	26.2
121.06480	7.6
121.10149	27.6
123.08064	4.6
123.11687	14.8
129.06967	9.0
131.08589	24.0
133.10129	26.6
135.08066	6.6
135.11687	19.4
137.09613	4.9
143.08589	9.0
145.10123	19.9
147.08064	5.3
147.11684	16.8
149.09613	5.3
149.13281	11.6
157.10023	5.6
159.11696	16.0
161.13258	11.5
163.14816	7.8
171.11562	5.8
173.13260	15.3
175.11182	6.2
179.14247	4.4
187.14763	4.8
217.16092	5.3
243.21117	11.9
261.22241	34.4
301.21594	6.2
303.23083	8.3
335.25989	14.5
353.26843	16.9
369.24289	8.2
387.25500	6.1
419.27759	9.1
461.28970	5.8
497.31046	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.0
55.05501	23.6
55.15294	5.8
56.92945	4.5
57.03440	12.0
57.07067	7.0
67.05186	6.5
67.05508	100.0
69.03437	6.4
69.07060	22.4
71.51650	8.0
79.05495	75.8
81.03412	9.5
81.07059	96.4
83.04969	5.3
83.08597	15.7
85.02884	11.0
85.06545	5.9
91.05486	48.9
93.07044	71.0
95.04964	8.9
95.08613	82.2
97.02892	6.7
97.10178	5.5
105.07021	35.6
105.10851	4.5
106.36871	4.1
107.08591	50.2
109.06490	7.7
109.10166	38.8
110.23463	4.3
111.08041	8.8
117.06976	23.5
119.08600	31.4
121.10155	45.6
123.11707	17.8
129.07013	4.9
131.08572	41.1
133.10161	32.5
133.11053	4.6
133.11371	3.6
135.11694	31.5
143.08542	10.1
145.10132	19.7
147.11713	12.3
149.13268	26.5
157.10085	5.0
159.11739	25.0
161.09673	5.4
161.13231	7.6
163.14798	15.9
167.81033	5.3
173.13284	20.7
175.14767	4.5
177.16357	4.7
179.14218	5.0
183.11696	5.2
185.13280	6.9
187.14764	9.2
213.51237	4.2
233.22568	4.8
243.21101	31.1
261.22110	80.7
335.25699	10.9
353.26807	18.9
357.26547	4.6
369.24347	6.1
515.36884	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83423	3.7
53.03950	7.3
53.32568	3.8
55.05512	23.6
57.03426	10.0
57.07085	6.7
58.17914	4.8
61.02907	7.8
62.03137	3.8
65.03954	3.6
67.05505	89.1
69.03419	9.0
69.07055	17.4
70.10526	15.1
71.05007	5.0
79.05492	61.2
81.03408	4.7
81.07055	100.0
83.08617	10.5
85.02931	8.8
91.03941	6.8
91.05475	36.6
93.07047	64.6
95.04955	8.7
95.08608	86.5
95.09183	7.6
97.10212	7.8
97.69987	4.1
98.20808	4.6
100.92721	4.0
103.03941	4.8
105.07024	34.8
107.04989	4.8
107.08582	34.8
109.06551	6.7
109.10156	40.8
117.07023	18.1
119.08559	20.2
121.10129	34.3
123.04512	4.0
123.11696	14.2
129.07043	7.4
131.08560	30.3
133.10144	14.9
134.31358	4.0
135.11682	29.9
137.13280	6.6
143.08563	6.5
145.04759	4.2
145.10146	23.2
147.11720	17.3
149.13284	16.3
157.10103	5.3
159.11656	19.8
161.13300	9.7
163.14816	11.9
173.13274	17.5
177.16379	9.4
185.13161	5.6
187.14850	7.9
191.14484	5.9
243.21123	22.0
261.22134	62.4
271.94656	3.8
279.23178	5.2
301.21603	6.1
303.23181	5.3
335.25751	18.0
345.24365	4.6
353.26791	10.9
439.82394	4.3
497.30997	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	514.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
56.96568	0.4
69.03409	0.4
70.06585	0.7
81.03445	0.4
85.02867	0.4
91.04958	0.5
91.05477	3.5
93.07043	6.5
95.04980	1.2
97.02905	0.6
98.97586	0.6
103.05470	4.2
105.04500	0.6
111.02033	0.3
119.04954	0.5
121.06506	100.0
122.06847	1.2
123.04444	0.7
127.03952	0.6
137.05992	2.8
138.09145	26.4
147.04338	0.3
153.01846	2.9
154.08667	0.7
219.01791	0.4
257.04333	0.4
375.58374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.1
57.71874	1.5
65.03940	1.8
67.05527	2.2
67.24362	1.5
68.05020	2.2
69.07076	10.3
70.06598	5.6
71.31862	1.5
71.50591	3.1
79.05478	1.9
79.60477	1.7
80.05013	2.0
81.03427	1.8
84.08147	6.2
86.09701	3.1
94.06575	14.7
95.04982	3.8
98.06090	2.1
104.05000	2.4
107.17250	1.6
108.04464	16.6
110.07191	2.1
112.07597	4.6
118.06577	1.7
118.69952	1.6
121.06492	2.9
122.06036	52.6
123.04440	3.8
126.05473	2.5
128.07137	2.2
139.03903	3.5
140.07069	100.0
141.20441	1.6
144.04457	2.0
146.04836	3.4
146.06009	60.9
150.05522	2.0
153.01854	3.9
157.92752	1.8
158.07965	1.5
168.06587	13.4
172.03947	10.6
173.04741	17.9
174.05516	71.6
176.07057	2.3
179.07021	2.8
190.04956	2.1
191.05754	9.7
192.06641	1.9
204.06612	13.2
206.08116	8.4
209.10870	1.7
225.10251	5.5
237.10353	1.7
239.11728	2.8
240.08888	3.4
252.08835	2.4
253.09818	7.2
265.09900	2.2
267.11176	7.5
281.09183	14.5
285.12381	10.2
295.10822	10.2
297.12418	5.7
299.10297	19.0
313.11844	67.4
313.15491	3.3
323.10291	6.5
324.11096	5.5
331.12860	5.8
341.11316	84.9
342.11850	4.2
355.13568	1.9
356.13895	3.9
373.14069	10.5
440.18509	13.1
464.18338	8.9
482.19305	87.0
483.19736	3.4
496.21027	9.8
514.21802	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	514.219
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82533	1.3
67.05514	2.0
69.07062	9.9
70.06595	2.4
70.94981	3.5
71.01642	1.2
74.53185	1.6
79.05488	1.6
80.05018	2.4
84.08112	2.5
93.05726	1.9
94.06557	13.8
95.04979	3.2
95.13734	1.5
96.35309	1.2
98.06015	2.5
104.05006	2.0
108.03816	2.2
108.04487	29.6
112.07625	3.8
113.64378	1.2
116.07101	1.6
118.06553	2.8
122.06040	47.5
123.04417	3.1
140.07076	100.0
144.04466	3.1
145.05200	1.7
146.06024	46.2
148.07564	1.3
150.05479	4.3
153.01813	2.6
153.18776	1.6
153.67851	1.3
168.06561	21.7
172.03944	20.9
173.04750	18.6
174.05516	71.4
174.10338	1.6
176.91051	1.4
190.05078	1.9
191.05737	5.8
192.06546	3.1
201.87579	1.4
204.06570	25.3
206.08165	18.6
240.08838	1.5
252.09084	1.5
253.09877	2.7
267.11185	2.8
268.09567	1.4
281.09088	2.9
285.12286	13.7
295.10742	2.4
297.12479	2.7
299.10312	7.8
313.11835	72.7
314.11938	1.8
323.10342	2.9
324.10901	3.3
331.12866	5.1
341.11359	32.5
345.14493	3.2
356.13812	2.0
373.14117	7.5
440.18246	9.1
464.18109	5.0
482.19278	93.2
483.19162	2.1
496.20816	6.6
500.20044	2.5
514.21313	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	514.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.6
64.96971	2.6
67.05498	4.7
69.03437	3.3
69.07073	20.8
70.06594	18.6
71.51308	4.3
72.08160	3.6
75.71929	2.1
77.83139	2.1
79.05499	4.9
81.07051	8.3
85.02905	3.2
86.09698	5.7
91.05490	7.5
93.07045	5.0
95.04980	4.2
95.08618	10.0
102.88547	2.3
105.07040	4.6
107.04934	4.3
107.08607	4.0
108.08160	3.1
109.06535	5.7
120.08071	2.4
121.06519	5.7
122.06015	2.8
124.03924	2.5
124.07594	3.8
128.07065	4.0
134.20222	2.9
136.07610	3.2
137.06001	3.9
138.09161	3.7
139.03911	24.1
140.04254	8.2
140.07057	30.6
141.01834	2.7
145.06512	3.2
145.10124	3.8
146.05946	2.8
152.07054	2.8
153.01840	13.8
154.08629	4.4
159.07988	2.7
159.11612	2.0
163.03899	2.8
164.10721	3.6
165.05418	2.5
167.07173	3.0
172.07494	3.2
174.05534	3.2
175.03827	2.7
182.74507	2.5
192.10268	10.6
199.08659	3.2
204.02884	2.9
211.08762	5.1
213.10184	4.4
217.36884	2.2
224.07256	3.0
225.10312	7.3
226.10974	3.4
227.08209	8.6
227.11852	6.1
237.10220	3.0
239.11856	9.8
241.09869	5.5
253.09750	6.6
254.10542	4.7
255.11180	5.5
257.12866	3.1
263.08231	2.7
267.08459	1.9
267.11258	15.4
269.09348	3.6
269.12683	2.5
272.11890	2.6
281.09183	2.8
283.10724	6.5
285.12415	3.3
288.76025	2.7
291.09982	3.4
295.07434	3.5
295.10876	12.1
297.08710	6.5
297.12332	6.5
298.09189	2.4
299.10281	6.7
301.11896	5.2
309.08469	2.4
311.10437	4.5
313.11850	71.1
313.15521	5.1
314.12579	5.1
315.13464	8.9
325.11844	2.7
329.11655	3.5
339.09882	5.1
341.11395	16.7
342.12119	3.7
345.14590	3.8
365.07834	4.0
366.14389	3.2
371.12506	6.1
373.14032	19.7
383.08804	4.4
436.18970	5.8
437.17255	4.2
438.20755	4.6
454.19748	54.3
464.18210	14.0
482.19254	75.5
496.21039	14.4
514.21881	100.0
515.21484	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	513.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10336	0.9
53.03936	1.8
54.01598	1.0
55.01871	2.2
55.05518	14.7
57.07071	2.8
59.04987	1.5
60.77720	1.1
60.96718	1.0
67.05506	22.7
69.07073	8.3
69.34225	8.4
71.04995	1.7
76.01070	1.0
79.05497	20.4
81.07063	24.3
81.97884	1.0
83.04981	1.8
83.08603	5.5
85.06540	1.3
87.93406	1.1
89.06050	1.1
91.05487	20.4
93.07059	18.9
95.04977	1.1
95.08610	17.0
97.06519	2.7
97.10173	3.3
98.20722	2.1
105.07043	18.5
107.08604	11.8
109.06511	1.2
109.10190	6.6
111.08064	1.3
115.05501	1.3
117.07039	10.1
119.08590	15.1
121.10102	5.5
123.08074	1.3
123.72446	1.1
125.09622	1.8
128.06219	4.4
129.07019	14.0
130.43333	1.3
131.08583	20.6
133.10141	11.6
135.08080	1.7
135.11699	5.6
141.07013	5.4
142.07800	3.8
143.08565	13.8
145.10132	16.1
147.11703	5.8
149.09668	1.2
149.13252	1.8
153.07036	1.7
155.08569	8.7
156.09315	2.5
157.10138	15.5
159.11691	11.9
161.13281	2.5
166.07794	1.0
167.08585	4.7
168.09348	1.7
169.10144	12.1
170.10954	1.0
171.11703	14.1
173.13252	6.8
181.10132	6.4
183.11674	12.3
185.13284	10.1
187.11201	1.0
187.14859	3.4
190.59143	1.0
193.10184	1.4
195.11685	4.9
197.13284	9.8
199.14861	4.5
205.38870	1.0
207.11690	1.9
209.13272	6.3
211.14867	4.6
213.16483	2.1
219.11662	1.2
221.13261	2.5
223.14824	4.7
225.16510	2.1
235.14789	2.9
237.16402	2.1
239.18083	1.5
241.19650	1.8
251.17964	1.3
256.26321	1.4
259.20450	1.5
261.18564	2.6
267.21085	1.6
283.20221	1.3
297.22128	2.4
309.22272	1.5
315.22998	1.3
327.23270	1.6
403.29892	6.4
421.31079	17.8
439.32080	5.6
457.33322	3.2
477.34213	1.3
495.34872	6.1
513.35822	100.0
513.50201	5.2
514.36365	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	513.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97955	1.1
53.03954	2.5
53.94658	1.0
55.01863	2.0
55.05508	12.7
55.35590	1.2
57.07081	11.5
59.04982	1.6
65.03932	1.6
67.05179	1.7
67.05507	22.7
69.07073	11.0
70.06589	7.6
71.08634	6.4
71.51261	1.6
73.02889	1.2
79.05495	15.3
81.03416	1.2
81.07058	21.6
83.04967	1.5
83.08619	5.7
85.06553	1.5
85.10174	3.0
87.82651	1.0
88.07649	6.5
89.06045	7.4
90.59495	1.0
91.05473	15.6
93.07050	16.5
95.04954	1.6
95.08614	16.5
97.06541	2.0
97.10163	3.2
102.09159	6.5
105.07030	16.3
107.08607	8.6
109.10188	5.2
111.08114	1.0
113.09649	1.5
115.05463	2.0
117.07012	12.4
119.08587	10.4
119.19011	1.0
121.10163	5.0
123.08126	1.8
123.11727	1.0
125.09643	1.2
128.06241	4.0
129.07016	12.7
131.08572	16.1
133.08623	3.3
133.10153	10.5
135.08098	1.1
135.11716	3.5
139.80981	1.2
141.06972	5.0
142.07767	2.1
143.08557	16.1
145.10135	16.1
147.11700	3.7
147.83676	1.0
149.13281	1.2
154.07657	1.1
155.08585	12.1
156.09355	1.7
157.10138	14.1
159.11729	11.6
161.13275	2.6
165.37813	1.1
167.08543	4.3
168.01295	1.0
168.09378	1.6
169.10141	14.0
171.11714	12.8
173.13237	6.1
177.11223	1.3
179.08548	1.3
181.10164	4.4
183.11687	12.9
185.13313	8.8
187.14862	2.1
193.10376	1.0
195.11726	4.2
197.13292	8.9
199.14891	5.8
207.11708	2.2
209.13202	7.7
211.14864	5.9
213.16473	2.9
221.13431	2.0
223.14877	2.6
225.16331	2.8
228.23279	1.2
235.14784	3.0
237.16396	2.0
239.18039	1.3
251.17981	1.6
256.26385	11.0
256.28766	1.3
257.26715	11.5
259.20776	1.1
263.18085	2.0
275.20132	1.5
279.21277	1.7
283.26291	9.9
284.26624	12.7
295.20523	1.2
297.22116	1.2
299.20120	1.4
309.22269	3.0
312.29919	1.6
323.23499	1.4
327.23233	2.6
335.23639	1.3
401.27325	1.4
403.29935	6.2
411.32431	1.5
421.31113	17.8
439.32196	6.3
457.33633	1.9
477.33319	1.5
495.34665	9.8
512.50494	4.3
513.35809	100.0
513.50708	46.8
514.36279	4.1
539.18695	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01864	1.3
55.05517	12.8
57.07065	4.3
58.07404	1.4
61.02941	1.5
65.03920	1.7
67.05509	22.1
69.07079	12.3
69.27087	10.2
70.06577	1.5
71.04976	1.3
71.08620	4.5
73.02917	1.5
79.05072	1.5
79.05499	17.2
81.03392	1.1
81.07066	22.6
83.04970	2.1
83.08627	7.7
85.06551	1.6
85.10189	2.1
88.07636	2.1
89.06046	2.5
91.05482	18.8
93.07053	15.9
93.81653	1.1
95.04966	2.3
95.08618	15.5
95.09194	1.9
97.06524	3.3
97.10157	4.4
98.21011	5.4
99.08096	1.3
102.09201	1.9
105.07033	19.0
107.08616	10.0
109.06503	1.2
109.10159	5.9
115.05495	1.5
117.07041	10.4
119.07789	1.7
119.08576	14.6
121.10142	4.4
123.11692	1.8
125.09707	1.5
128.06233	2.9
129.07007	10.5
130.07811	1.7
131.08575	18.8
133.08638	2.0
133.10132	12.0
135.11693	5.1
141.07021	3.3
142.07790	4.6
143.08569	16.1
145.10138	16.9
147.11716	5.9
151.11127	1.7
154.07750	1.3
155.08566	10.5
156.09348	1.7
156.82426	1.1
157.10129	14.4
158.10873	1.3
159.11699	10.3
161.13255	1.5
167.08617	3.0
169.10161	11.8
171.11697	11.9
173.13260	7.3
181.10141	4.7
182.10832	1.2
183.11700	12.0
185.13313	6.3
187.14859	3.3
193.10121	1.8
195.11639	6.2
197.13274	10.2
199.14839	6.2
206.10844	1.3
207.11711	1.7
209.13284	3.2
211.14873	4.1
213.16415	2.1
221.13293	3.3
223.14830	3.6
225.16347	3.1
227.18208	1.3
235.14908	2.0
237.16457	1.9
239.17805	1.2
251.18118	1.5
256.26361	1.8
257.26724	3.0
259.20621	1.9
261.18625	2.4
267.17166	1.1
269.19147	1.6
275.19974	1.2
283.20456	1.3
283.26495	2.6
284.26645	3.8
287.20087	1.2
295.20627	1.5
297.22238	1.6
309.22198	2.2
311.23703	1.2
313.21646	1.8
315.23206	1.7
317.23053	1.1
321.22067	1.4
323.23752	1.5
339.23117	1.2
351.29141	1.5
403.29990	4.8
408.85623	1.1
421.31055	14.6
439.31995	6.3
457.33151	2.9
459.32547	1.4
477.33185	1.7
478.31219	1.4
495.34851	8.3
513.35803	100.0
513.50787	9.7
514.36200	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	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.7
55.01881	6.3
55.05512	35.8
57.03445	37.8
57.07067	7.3
57.75459	3.8
61.02932	29.9
67.05509	83.3
69.03440	25.4
69.07076	33.3
69.71821	23.3
71.04984	16.3
71.08622	16.2
73.02917	12.3
79.05074	5.4
79.05501	72.4
81.03424	31.2
81.07061	100.0
82.61466	4.7
83.04988	10.7
83.08622	19.6
85.02916	39.2
85.06550	7.3
85.47559	4.5
91.03955	13.2
91.05495	55.9
93.07046	95.8
95.04957	14.4
95.08610	65.4
97.02910	29.0
97.06525	16.2
97.10182	8.6
99.04461	9.8
99.08084	14.8
101.02347	7.6
103.03949	6.7
104.85632	4.8
105.07021	55.2
107.04959	7.8
107.08598	52.0
109.02889	12.7
109.06528	8.4
109.10152	36.0
111.08089	7.8
115.05390	4.9
117.07011	17.3
119.08587	45.4
121.06583	6.3
121.10154	54.8
123.08085	5.1
123.11709	11.7
125.09669	6.7
127.03921	13.9
129.05487	10.0
129.06981	10.9
129.48323	4.6
131.08574	22.3
133.10133	34.5
135.11690	33.2
143.08557	9.0
145.10167	24.3
147.11711	29.3
149.13274	27.3
151.11182	9.1
157.10156	9.1
159.11717	13.4
161.13292	23.0
163.14804	7.4
171.11656	10.2
173.13293	14.5
175.14836	6.7
179.14323	60.8
185.13280	12.8
187.14795	11.6
191.14363	5.1
199.14908	7.0
201.07520	5.0
221.15274	4.9
231.21135	7.4
241.19502	7.8
259.20718	32.8
277.21643	71.4
351.25308	64.0
379.24509	5.9
513.29730	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.3
55.01872	6.4
55.05518	29.7
57.03441	43.3
57.07059	5.0
59.04988	5.4
61.02919	14.4
65.03954	5.7
67.05510	80.2
69.03442	29.5
69.07082	23.5
70.06606	5.8
70.75984	9.3
71.05004	26.8
73.02921	11.2
79.05497	67.7
81.03432	22.7
81.07066	100.0
83.04983	13.5
83.08618	17.4
85.02913	37.0
85.06541	8.3
91.05486	59.9
93.07052	88.6
95.04967	9.9
95.07998	6.3
95.08607	73.6
97.02889	28.8
97.06554	12.8
97.10156	7.9
99.04450	11.0
99.08048	4.7
100.42448	4.5
101.02361	5.4
105.03405	5.3
105.04559	5.1
105.07055	47.2
107.04920	4.8
107.08605	48.9
108.24301	4.5
109.02917	10.6
109.06512	5.7
109.10184	30.5
111.04382	6.5
111.08110	6.4
114.84821	4.1
117.07014	16.8
119.08596	45.1
119.12075	4.2
121.10159	40.9
123.08067	5.3
123.11749	6.1
125.09676	8.2
127.03904	18.6
129.05501	14.4
129.07024	12.7
131.08606	20.8
131.18431	4.7
133.10153	39.8
135.08037	4.4
135.11700	31.8
141.07066	6.5
143.08562	12.4
145.06458	6.5
145.10080	21.7
147.11705	23.6
149.06003	17.6
149.13260	18.3
151.11201	7.6
157.10123	7.2
159.11700	23.1
161.13266	9.9
165.12770	8.9
171.11673	10.1
173.13307	14.4
175.14874	9.9
177.12701	5.9
187.14845	17.4
189.19687	4.0
193.04880	5.1
193.15910	4.7
199.14909	5.7
200.20137	13.8
203.42361	4.4
205.15843	8.5
229.14252	5.3
241.19557	12.6
259.20569	36.5
275.19830	4.3
277.21634	33.5
293.21136	5.2
318.64035	4.7
333.24194	7.9
341.10266	14.9
351.25378	63.0
514.27930	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.0
55.05505	10.4
57.03432	7.4
61.02925	18.9
67.05510	29.1
69.03419	9.0
69.07071	13.1
70.00824	5.7
70.01226	10.8
71.04993	5.4
73.02908	6.4
74.98688	3.6
79.05496	42.6
79.64142	3.6
81.03429	7.4
81.07064	37.9
83.05055	4.3
83.08623	4.6
85.02930	17.0
85.06553	3.9
87.04481	4.0
91.03973	6.9
91.05491	39.2
93.07047	54.5
95.04987	5.6
95.08602	23.9
97.02897	12.2
105.07036	44.8
107.05016	3.5
107.08603	30.4
109.10151	10.0
110.06918	3.2
117.07014	13.8
119.08582	47.3
121.10133	23.0
127.03900	4.6
128.06316	3.9
129.07030	11.9
131.08588	26.8
133.10153	36.0
135.07982	3.3
135.11678	29.3
142.07840	4.0
143.08565	12.3
145.10118	24.0
147.11690	34.7
149.13316	16.0
157.10153	13.2
159.11708	26.3
161.13255	29.0
169.10213	4.0
171.11687	15.2
173.13292	16.6
175.14847	9.9
176.07751	3.6
183.11678	3.6
185.13257	11.6
199.14885	8.0
214.49472	3.8
241.19453	21.1
259.20596	56.2
275.78036	3.7
277.21518	4.3
301.21707	5.8
333.24182	4.3
349.23587	6.0
351.25317	100.0
351.29633	5.9
367.22623	5.6
375.25485	4.2
385.23737	6.0
385.73923	3.5
403.24710	6.1
417.26361	4.1
421.26144	5.6
441.26505	5.3
459.27353	4.3
495.29486	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	513.306
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
51.23149	1.9
53.03941	2.6
55.05503	8.1
56.21171	1.9
57.03427	8.6
61.02934	16.6
62.61782	2.0
67.05502	22.3
69.03444	4.4
69.07088	10.1
69.34886	17.7
73.02898	4.4
75.53414	2.1
79.05500	30.0
81.03423	2.8
81.07063	28.9
83.04978	2.2
83.08621	3.5
85.02905	13.0
91.03951	6.8
91.05492	27.0
93.06489	3.1
93.07055	48.2
95.04964	4.8
95.08608	22.2
96.57058	2.0
97.02899	10.5
97.06500	5.2
98.21650	2.2
105.07030	31.7
107.08592	27.1
109.10158	11.5
117.07009	9.4
119.08578	33.4
120.05605	2.1
121.10140	25.4
129.06972	5.7
131.08582	15.8
133.10149	28.9
135.11697	25.8
143.08562	8.3
145.10112	19.9
147.11694	23.7
149.13287	15.2
157.10117	6.7
159.11707	16.0
161.09628	1.9
161.13269	20.8
163.11153	2.3
163.14848	3.6
169.10054	2.4
169.50992	2.4
171.11696	8.7
173.13214	9.6
175.11200	3.3
175.14819	9.7
179.14317	2.9
183.11670	2.4
185.13248	6.8
187.14914	3.1
189.12700	2.7
199.14848	3.4
207.51738	2.1
213.16406	2.1
231.21138	2.9
241.19545	22.9
259.18051	3.2
259.20612	44.2
267.88013	2.0
277.21600	9.3
282.77542	2.1
331.42374	2.2
333.24130	9.1
349.23697	4.6
351.25302	100.0
351.29633	4.8
367.22574	2.9
375.25299	2.8
423.14307	2.1
441.26208	4.3
459.27023	5.4
477.28137	2.5
489.87112	2.4
495.29410	5.6
513.30420	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	513.3061
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
52.69139	4.1
52.76528	3.0
55.05506	7.8
55.23195	3.8
57.03416	4.8
61.02933	17.2
67.05513	25.1
69.03416	5.4
69.07067	7.6
73.02922	4.5
75.35399	2.9
75.87083	3.7
79.05498	26.6
81.03399	8.0
81.07058	29.0
83.04986	3.3
83.08635	4.3
83.63317	3.7
85.02889	12.4
91.03945	8.0
91.05480	25.1
93.07049	36.5
95.08624	17.6
97.02866	5.6
97.06525	3.8
105.07037	24.5
107.08585	22.9
109.10144	8.2
117.07043	8.4
119.08590	38.6
121.10195	21.8
129.07033	7.5
131.08536	15.8
133.10184	24.7
135.11693	18.0
143.08543	9.8
145.10123	18.5
147.11687	20.8
149.13257	12.8
157.10168	6.4
159.11674	11.6
161.13258	16.7
171.11659	11.9
173.13318	7.8
175.14793	8.3
177.12917	3.3
185.13297	6.7
187.14925	6.0
199.14809	5.9
241.19550	22.7
259.20609	40.5
271.20602	4.3
277.21796	5.3
298.04346	4.7
333.24109	7.0
349.23572	5.9
351.25311	100.0
417.26114	3.7
441.26309	5.9
458.36032	3.9
459.27011	8.0
477.28195	4.2
495.29700	8.0
513.30005	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	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.05512	13.7
57.03439	10.8
57.07078	4.1
61.02930	25.5
67.05513	46.1
69.03435	8.5
69.07082	13.6
69.34229	15.0
69.34630	5.9
71.04980	3.8
73.02905	7.9
79.05495	47.7
81.03415	9.9
81.07067	45.8
83.08629	4.9
84.42738	2.7
85.02912	19.0
85.06554	5.1
86.52868	2.8
86.80319	2.5
91.03965	11.7
91.05492	50.4
93.07056	59.7
95.04988	6.0
95.08617	28.8
97.02901	11.6
97.06533	4.2
97.10137	3.7
99.08102	3.2
105.07039	44.4
106.07353	3.4
107.04974	3.9
107.08607	32.7
109.06513	2.9
109.10195	14.1
115.05465	3.9
117.07030	18.5
119.08602	47.0
121.10143	28.2
123.08083	3.7
123.11713	3.7
125.09560	2.6
128.06168	3.2
129.07002	11.8
131.08588	24.6
132.34402	2.7
133.10153	39.7
135.08046	3.6
135.11702	25.7
143.08549	15.9
145.10136	26.6
147.11707	35.1
149.13263	12.0
155.08577	4.4
157.10164	16.7
159.11688	26.4
161.09650	2.8
161.13261	27.1
163.11154	3.2
163.14757	2.8
169.10167	4.5
171.11678	11.0
173.13245	13.6
175.14833	16.2
180.18407	2.7
185.13281	9.1
187.14868	5.7
189.12885	3.5
189.16405	3.5
197.13258	3.8
199.14864	5.7
213.16272	4.5
217.08588	6.9
217.19586	3.8
225.13010	3.4
231.21126	5.9
241.19652	22.2
259.20590	60.4
271.20532	3.8
293.94012	2.9
301.21793	5.2
313.21460	3.8
325.21878	3.1
333.24426	3.4
349.23871	6.6
351.25317	100.0
363.25192	7.0
385.23688	5.5
417.26440	5.6
441.26559	6.6
443.49829	3.0
459.27621	6.5
477.28488	8.5
495.29633	8.9
513.30609	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	513.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71526	5.0
53.03937	13.8
55.01854	6.7
55.05516	31.7
57.03445	48.0
61.02918	17.5
67.05190	5.0
67.05511	81.8
69.03442	37.2
69.07065	32.8
69.19633	4.2
70.97094	4.4
71.04988	21.2
73.02922	10.0
79.05073	6.7
79.05497	82.9
81.03436	47.2
81.07062	84.5
83.08625	23.3
85.02908	40.1
85.06542	6.7
91.03957	6.0
91.04958	8.2
91.05483	64.6
93.07044	100.0
95.04957	9.5
95.08614	77.8
97.02904	37.2
97.06518	9.0
97.10181	7.9
99.04465	10.3
99.08080	7.4
101.02355	9.8
105.07030	58.3
107.04935	4.6
107.08608	63.4
109.02858	8.9
109.06509	6.8
109.10184	28.2
111.08075	10.6
117.07011	22.7
119.08597	47.9
121.06531	6.8
121.10157	52.6
123.08102	5.4
123.11683	8.1
123.91620	5.0
125.09600	7.3
127.03910	21.2
129.07002	8.3
131.08572	34.2
133.10144	38.9
135.11685	40.0
136.59439	4.9
143.08554	13.1
145.04919	7.4
145.10097	28.0
147.11667	34.1
149.09598	11.7
149.13242	28.6
157.10062	9.9
159.11690	30.9
161.13239	15.0
167.18501	5.1
169.10219	5.9
171.11694	13.1
173.13261	18.6
175.14790	11.9
185.13199	13.3
187.14801	7.8
199.14850	8.8
201.16492	5.4
241.19441	16.2
259.20572	34.9
275.20114	6.3
277.21652	37.8
351.25302	76.7
477.28827	5.6
506.78134	5.6
513.30084	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	513.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.3
53.03955	0.4
55.01869	0.8
55.05501	0.7
57.03426	0.3
59.43576	0.2
59.76901	0.2
65.03934	1.3
67.01836	0.2
67.05495	0.9
68.99788	1.2
69.03427	0.6
69.07061	0.7
70.06580	1.0
71.04982	0.3
71.50732	0.5
71.51105	0.3
79.05478	0.6
81.07049	1.1
83.04973	1.1
84.08118	0.3
85.02904	0.3
85.06538	0.3
91.05483	3.1
93.03416	0.6
93.07048	0.7
95.04957	0.8
95.08601	0.9
97.02905	0.6
97.10152	0.2
99.04440	0.3
105.07033	1.3
107.04966	0.4
107.08602	0.8
109.06541	0.4
109.10132	0.4
111.00796	0.4
111.04443	4.1
117.34268	0.2
119.04951	3.7
121.02863	0.5
121.06517	0.7
121.10130	0.4
123.04435	0.8
127.03934	0.4
131.08665	0.3
133.06499	0.3
133.10074	0.4
135.04445	0.4
137.05949	0.5
137.09714	0.4
139.03905	100.0
140.04268	0.4
143.03407	0.3
145.10120	0.8
147.04419	3.6
147.11700	0.3
151.03922	2.2
153.00754	0.3
153.01807	1.7
157.03990	0.3
159.11745	0.4
161.05998	0.3
161.09593	0.3
163.03883	2.2
165.01874	0.3
167.06989	1.1
169.65576	0.2
173.09622	0.6
175.03922	5.5
177.05453	0.7
179.07094	0.8
181.04977	0.8
187.11249	0.3
205.04996	1.2
207.06526	9.6
209.04549	0.6
215.10641	0.7
247.06136	0.3
289.07062	3.2
345.16980	0.4
387.10721	0.4
513.17743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.8
55.01872	1.5
56.78835	0.8
65.03934	2.1
67.05506	1.2
68.99763	1.5
70.06567	1.3
71.51301	1.0
79.05502	4.0
81.07061	2.1
85.02916	1.4
88.49863	0.9
91.05490	5.8
92.02637	0.8
93.03413	4.3
93.07044	1.2
95.04970	7.2
95.08588	0.9
103.05466	1.0
105.07070	1.1
107.04955	7.2
107.08620	0.9
117.03358	1.5
119.04936	5.5
120.02077	2.8
121.02888	3.1
123.04446	5.5
125.02433	1.0
131.04919	1.8
133.02838	2.0
135.04427	12.8
137.02347	1.1
137.05948	1.3
138.03157	1.0
139.03912	36.4
140.04729	4.3
145.02853	2.4
147.04434	20.1
149.02370	1.5
149.06001	1.2
151.03865	2.4
153.01833	6.0
153.05464	7.6
155.07042	13.0
159.04433	3.4
161.06070	1.4
163.03923	23.1
165.01852	1.5
165.05530	1.1
166.02626	3.1
167.03653	1.1
167.07025	4.5
169.04979	4.0
175.03917	4.1
177.05467	3.8
179.03412	3.6
181.04964	29.9
181.06548	1.8
183.02979	0.9
187.03871	0.9
187.10907	0.8
191.03412	100.0
192.04091	1.9
195.06596	3.1
203.03406	18.0
205.04990	2.6
207.06572	10.8
215.03279	1.5
217.04861	1.0
221.04494	2.5
223.06041	1.3
233.04410	4.1
245.91008	1.0
251.05591	2.0
254.90025	0.8
267.11169	0.9
273.07657	0.8
303.08615	2.4
312.10519	1.1
315.08554	6.5
323.05518	1.5
333.06161	4.1
340.10019	1.7
341.06598	1.6
345.09723	23.9
357.09708	31.3
358.10025	0.8
359.07675	11.4
372.12585	2.5
373.13794	2.0
471.12854	4.2
495.12918	2.6
513.13245	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	512.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
57.07079	16.4
58.06590	1.3
60.04512	0.5
62.15102	0.3
67.05508	2.0
69.07085	2.0
70.06596	11.6
71.08637	8.0
71.24774	0.9
72.04504	1.3
73.02911	1.1
81.07065	2.2
83.08611	1.7
85.06554	0.4
85.10187	3.3
87.04519	0.4
88.02227	1.4
88.07638	16.4
89.06044	1.0
95.08606	2.6
97.10186	0.8
102.09187	11.9
106.08668	0.8
109.10131	0.7
133.08629	0.7
135.03976	0.4
177.11229	0.4
212.23863	0.5
228.23238	4.5
256.26364	43.2
257.26709	0.6
267.78995	0.5
274.27365	4.0
283.26328	45.9
311.29437	4.1
512.50409	100.0
513.50952	2.2
513.57343	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01881	2.4
56.96555	1.8
57.03426	6.0
59.04993	1.2
60.51563	0.8
61.02917	1.1
61.15772	0.9
65.00643	2.3
65.99749	0.9
69.03434	17.2
70.06580	1.2
71.01366	2.4
71.04996	11.4
71.49982	1.9
73.02935	1.5
81.00107	1.2
81.03423	17.5
82.04219	2.7
87.04441	2.2
97.02880	1.9
98.97583	1.5
99.04468	20.3
107.01699	1.3
109.02901	1.5
117.05518	6.3
121.06506	1.4
127.03913	1.8
135.06549	2.9
139.03883	1.6
140.72195	0.9
153.01851	21.8
153.02966	1.6
154.02200	1.4
163.04225	2.0
171.02939	1.8
181.05325	10.8
199.06375	100.0
209.41092	1.1
225.00684	1.0
243.01852	1.0
261.81860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.05505	1.4
61.02943	1.4
67.05503	1.5
69.03432	4.2
69.63213	6.3
70.06587	4.8
81.03420	7.2
81.07048	1.9
83.05015	1.6
85.02911	6.0
86.09734	1.5
90.18127	1.3
91.05487	2.8
93.07076	2.0
95.04961	1.8
95.08620	1.6
97.02905	4.0
99.04478	1.6
104.90447	1.3
105.07041	2.2
115.05410	1.4
117.07027	2.3
121.06500	4.9
123.04426	8.9
124.07629	1.6
126.05604	1.7
127.03918	2.7
129.07002	2.0
133.10139	1.3
135.08064	2.1
137.05986	1.8
138.05534	7.1
139.03914	3.3
145.06464	2.1
147.07916	1.5
153.01843	7.6
154.08638	1.8
155.04942	14.9
157.06554	6.3
161.06007	2.1
163.06308	2.3
163.07550	2.8
164.07101	1.9
167.07098	1.9
167.10585	1.8
171.04417	2.7
173.06018	6.6
177.05531	1.6
183.04427	52.9
185.05943	8.2
189.05499	11.2
190.08659	1.4
191.07037	9.0
196.20337	1.4
199.03940	7.5
200.07059	3.3
201.05484	39.3
202.06320	2.6
203.07098	2.8
208.09662	12.9
211.03923	49.9
213.05548	1.7
217.04991	11.4
220.09744	2.1
228.06538	3.2
229.04982	100.0
230.05746	6.8
231.03004	2.1
231.06572	2.9
233.04355	3.7
245.04501	9.0
246.07562	2.1
247.06041	4.1
256.06021	3.8
257.04483	12.8
261.03946	12.7
262.04596	1.8
270.07767	2.1
274.07034	6.2
275.05508	17.1
291.06934	1.5
292.08206	45.0
316.08002	3.8
334.09378	3.2
342.13275	4.6
352.08170	5.8
370.09109	1.6
382.09280	3.3
400.10315	36.1
418.11380	20.9
436.12439	59.0
471.40140	1.4
504.93259	1.5
512.17139	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	512.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
65.03931	1.2
66.08199	0.6
69.03411	2.2
70.19076	2.4
71.04973	0.9
73.02921	0.5
79.01852	4.1
81.03422	8.1
84.91485	0.5
85.02898	3.1
85.29646	0.6
91.05502	0.7
93.03397	2.1
97.02904	5.0
99.04430	1.2
105.07037	4.9
107.01332	1.2
107.04964	5.0
109.02880	6.1
111.04443	4.5
118.06596	1.1
120.04482	3.0
122.09691	3.2
123.04427	1.6
125.02356	4.6
125.04701	0.9
127.03922	5.6
134.05986	1.3
135.04427	12.0
137.05949	0.9
137.74937	0.6
139.03909	16.4
143.03421	5.7
146.06020	1.8
147.06444	0.7
152.07074	33.4
153.01842	100.0
153.02911	6.0
154.02200	1.3
162.05606	1.3
163.03931	2.9
166.04996	5.9
171.02892	6.2
176.07056	1.3
181.04979	17.8
188.07100	1.7
189.07402	1.1
194.08125	1.4
198.07629	47.7
200.07251	0.8
206.10036	0.8
240.08696	2.5
242.08092	1.3
260.09314	0.7
288.08646	4.5
297.06006	7.3
306.09711	0.9
315.07129	4.1
324.11023	0.7
337.96552	0.6
458.10800	0.7
476.11444	1.0
494.13040	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.6
55.01865	15.4
55.05271	4.4
55.05513	43.7
57.03441	33.7
57.07085	4.7
59.04988	4.0
61.02942	20.6
64.64223	3.5
65.03931	5.5
67.05506	95.6
69.03436	42.8
69.07070	34.0
69.40568	18.0
69.40997	10.3
71.01364	4.9
71.04997	14.7
72.93797	7.8
73.02916	18.1
79.05496	77.0
79.32907	3.3
81.03420	60.3
81.07065	100.0
83.04974	15.9
83.08617	17.5
85.02912	46.4
85.06544	9.6
87.04501	3.7
90.94826	4.4
91.03948	11.2
91.05488	92.2
92.05891	3.4
93.07053	73.5
95.04963	21.4
95.08616	58.3
97.02901	42.6
97.06540	19.2
97.10159	7.5
98.21544	6.9
99.04456	17.5
99.08102	6.0
101.02379	10.7
103.05418	3.9
105.04484	4.3
105.07040	83.3
107.04962	13.5
107.08596	46.5
109.02885	14.6
109.06526	18.5
109.10167	26.5
111.04443	9.3
111.08075	9.4
113.05991	3.6
113.09663	3.3
115.05502	8.6
117.07019	38.6
119.08594	68.9
121.06508	12.0
121.10143	27.4
123.04503	5.0
123.08074	9.5
123.11736	9.5
125.09644	5.8
127.03933	20.5
128.06308	5.8
129.05478	8.2
129.07019	26.8
131.04958	4.1
131.08583	59.4
133.06467	6.1
133.10141	40.4
135.08057	10.8
135.11752	16.5
137.06009	4.0
137.09593	6.9
138.54578	3.4
139.03905	12.1
141.06996	8.5
143.08554	25.9
145.10136	46.2
147.08047	5.7
147.11688	34.6
149.09612	19.7
149.13237	11.9
151.02065	4.4
151.11206	7.9
153.01891	7.2
155.08577	12.0
157.10129	26.5
159.11690	39.5
161.09659	11.2
161.13274	10.6
163.11192	12.1
165.03644	6.0
165.09096	5.3
165.12752	4.7
166.97920	5.3
167.08455	3.9
169.10144	11.5
171.11682	11.9
171.45819	3.8
173.04477	6.7
173.09698	7.8
173.13312	18.8
175.11250	10.5
175.14749	5.2
177.12755	8.6
181.10223	3.6
183.08054	3.8
183.11684	11.0
185.09619	4.3
185.13269	13.9
187.11162	7.1
187.14772	6.9
189.12874	4.9
193.12167	6.2
197.13243	8.9
199.11229	4.5
199.14821	4.4
203.14383	9.5
204.50381	3.3
205.54132	3.5
217.08653	9.8
219.17427	7.4
225.38565	3.9
229.19533	7.9
239.17982	17.8
247.20604	7.3
257.19025	34.9
265.05344	10.8
273.03943	5.2
275.17157	4.0
275.20099	66.6
283.06290	74.1
293.21097	9.0
301.03760	5.2
301.07382	13.3
331.22610	6.4
345.06018	19.7
349.23779	77.4
367.24579	4.8
387.15286	3.9
391.24731	5.5
475.26404	6.7
493.11655	5.0
493.18164	4.8
493.27661	13.8
511.12970	6.5
511.29028	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	511.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01637	2.8
53.03951	19.2
55.01866	10.0
55.05516	42.0
57.03434	27.6
57.07063	4.8
61.02930	18.9
64.78166	2.7
65.03950	3.4
67.05179	5.0
67.05509	71.1
69.03433	35.8
69.07071	42.3
70.04601	10.3
71.01351	3.0
71.04984	8.2
73.02921	7.0
79.05080	4.0
79.05502	62.5
81.03423	56.6
81.06593	4.8
81.07060	81.8
83.04972	13.7
83.08613	17.4
85.02911	27.8
85.06540	4.4
91.03941	6.5
91.05486	73.9
93.07049	57.3
95.04967	18.6
95.08615	41.4
97.02898	36.7
97.06522	16.9
97.10163	17.7
98.21404	6.1
98.98408	4.6
99.04453	14.5
105.07032	58.3
107.04939	12.2
107.08589	48.0
109.02875	13.7
109.06513	13.1
109.10172	25.9
111.04450	4.7
111.08073	7.7
115.05460	5.8
117.07040	21.8
119.07919	3.7
119.08598	39.1
121.06487	6.4
121.10146	28.4
123.08076	6.7
123.11700	10.1
125.09639	16.9
127.03895	17.5
129.05530	5.2
129.06995	9.7
131.08575	33.7
133.06523	3.9
133.10135	34.2
135.08064	10.9
135.11687	16.8
137.05978	5.8
137.09633	9.1
139.03911	5.1
141.06992	5.2
143.08545	11.3
145.04941	4.7
145.06464	4.5
145.10114	28.2
145.78046	3.0
147.11731	23.3
149.09636	17.6
149.13278	5.9
151.11148	4.6
153.01822	5.1
155.08598	5.8
157.10129	11.0
159.11681	24.1
161.13249	8.8
163.11200	11.1
165.09137	5.0
165.12712	6.3
169.10085	7.9
171.11674	8.9
173.04482	7.3
173.11845	3.6
173.13258	10.7
175.11278	7.4
177.12698	7.0
181.12082	3.5
183.11732	6.3
185.13307	4.2
187.11185	5.3
189.09293	4.7
189.11235	18.5
193.12140	5.3
195.13753	3.8
197.13179	6.0
205.12224	5.0
215.14337	3.7
217.08586	4.8
227.12746	8.0
229.14305	5.7
229.19476	6.0
239.17934	6.1
247.20505	8.1
251.16515	3.9
257.19049	19.2
269.17480	4.0
273.18616	3.6
275.20078	100.0
293.21030	8.5
331.22519	6.7
345.06003	8.1
349.23770	54.8
355.22516	3.7
383.22064	3.5
391.24854	3.9
413.21979	5.6
475.26645	6.3
493.20712	4.8
493.27805	5.6
511.28961	34.5
518.30243	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	511.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30016	3.3
53.03942	6.9
55.01882	6.4
55.05516	21.0
57.03439	22.4
57.07042	3.6
59.38217	3.0
65.03941	6.1
67.05510	100.0
69.03444	14.9
69.07080	21.4
70.56431	6.9
70.56796	5.9
71.01363	29.4
71.04970	4.9
73.02930	25.5
79.05497	62.0
81.03411	6.3
81.07065	94.9
83.04970	4.8
83.08623	8.3
85.02920	53.1
85.06544	5.0
91.05489	37.1
93.07053	78.1
95.01325	5.2
95.04961	9.7
95.08614	76.5
97.02898	20.0
97.10179	4.8
98.21048	4.3
99.00805	5.3
99.04459	6.8
99.08104	3.8
101.02390	7.7
103.03936	7.4
105.07048	33.7
107.08595	37.2
109.06574	5.0
109.10165	37.3
113.02375	25.6
113.10606	3.0
117.07016	10.9
119.08577	29.1
121.10157	36.0
123.11717	16.9
125.09649	4.2
129.07014	6.1
131.03404	13.4
131.08585	23.6
133.10135	25.7
135.11699	26.2
137.13210	2.7
141.01839	24.2
143.08565	9.6
145.10123	23.7
147.11693	13.9
149.13261	16.6
157.10188	4.7
159.02895	8.5
159.06493	3.7
159.11751	17.4
161.13275	12.1
163.14841	5.6
169.05055	7.2
169.10103	5.3
171.11726	4.2
173.13335	14.3
173.56122	3.2
175.14792	5.6
183.11723	5.2
184.46339	3.4
187.14828	6.9
195.11725	4.2
197.04541	3.8
205.15768	3.6
215.05447	4.2
243.21097	11.6
261.22180	31.2
303.23056	5.9
335.25870	41.0
365.21378	4.1
365.26181	3.2
471.02191	4.0
475.26163	3.7
511.28922	10.5
511.35178	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	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34975	4.1
53.03944	13.2
55.01880	14.7
55.05513	28.3
57.03440	29.1
61.02929	13.6
67.05511	89.5
67.63711	4.9
69.03433	45.1
69.07075	35.6
69.18497	50.8
71.04992	8.5
73.02934	8.7
78.14870	4.4
79.05500	74.0
81.03432	64.0
81.07069	100.0
83.04988	22.1
83.08627	18.3
85.02914	34.1
91.03969	5.8
91.05492	61.6
93.07053	64.8
95.04978	16.2
95.08620	46.7
97.02901	37.1
97.06545	13.5
97.10186	11.8
99.04484	15.5
99.08047	4.8
103.03928	7.9
105.07047	60.7
107.04981	10.3
107.08618	41.0
109.02879	13.2
109.06535	8.3
109.10175	29.4
111.04483	5.3
117.07020	32.2
119.08591	51.1
121.06516	6.6
121.10147	32.2
122.23788	5.2
122.57602	4.7
122.99180	4.5
123.08057	12.6
123.11733	8.4
125.09695	5.1
127.03945	29.8
129.05553	6.5
129.07010	9.2
131.04933	6.0
131.08595	35.5
133.10136	41.3
135.08096	7.0
135.11736	14.3
143.08592	14.3
145.10136	33.2
147.08127	6.5
147.11714	26.9
149.09625	17.7
149.13298	9.5
151.11150	5.0
157.10155	10.0
159.11647	26.4
161.09656	6.9
161.13298	10.9
163.11194	10.5
165.12808	5.4
169.10153	9.6
171.11740	10.0
173.04529	6.6
173.13220	11.5
177.12697	8.5
183.11716	6.9
187.14772	6.1
193.12227	5.5
195.13724	5.8
217.25098	4.9
229.19510	5.9
239.17964	6.2
241.19400	5.3
247.20595	13.7
257.19070	20.3
267.15918	8.6
275.20093	90.4
293.21152	5.5
347.22275	9.2
349.23825	80.1
391.24698	7.1
493.27649	7.6
511.28345	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	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.2
55.01868	15.1
55.05511	26.7
57.03436	32.2
61.02924	12.9
61.46730	3.9
65.03942	4.9
67.05506	68.4
67.29660	4.4
69.03434	49.4
69.07071	33.8
70.63998	4.1
70.90485	13.4
71.01373	7.8
71.04992	8.2
73.02905	12.4
76.86742	4.3
77.08506	4.8
79.05070	6.1
79.05499	71.3
81.03423	55.9
81.07061	100.0
83.04972	22.9
83.08617	12.3
85.02921	33.8
89.25670	5.1
91.03980	5.1
91.05483	63.4
93.07049	55.7
95.04996	14.2
95.08616	45.9
97.02891	39.8
97.06536	21.7
97.10199	6.1
99.04474	17.9
99.08104	7.9
101.02416	9.4
105.07020	66.1
107.04945	13.7
107.08582	41.9
109.02874	15.2
109.06483	10.7
109.10169	17.3
111.04430	7.0
113.13734	5.7
117.07042	21.7
117.44141	4.7
119.08592	32.4
121.10149	23.0
123.08064	5.5
125.09670	4.7
127.03949	21.8
129.05479	13.6
129.07036	11.1
131.08582	32.6
133.10143	47.4
135.11703	14.2
137.09631	7.6
141.06909	5.1
145.10150	23.8
147.11717	20.3
149.09683	9.3
149.13280	12.9
151.11189	5.3
155.08598	7.3
157.10161	8.4
159.11690	22.5
161.13364	7.6
163.11163	8.7
169.10130	7.7
171.11806	7.3
173.04419	15.9
173.13295	17.3
177.12708	6.4
195.13829	17.0
202.29230	5.4
247.20712	6.4
257.19043	22.1
269.17432	14.9
275.20099	67.9
291.19257	5.4
293.21387	6.0
331.22409	5.7
349.23740	63.9
356.82016	5.2
403.24408	5.5
413.21777	7.7
470.80695	5.4
493.28220	8.2
511.28793	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	511.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	13.3
55.01874	16.5
55.05513	44.4
57.03437	26.5
61.02925	18.9
65.03931	9.5
67.05507	89.4
69.03438	60.0
69.07063	40.2
70.96313	15.1
71.05006	13.7
72.17849	5.0
73.02919	13.8
74.76070	5.4
79.05499	65.5
81.03425	78.8
81.07070	100.0
83.04982	20.7
83.08633	15.7
85.02898	35.9
91.03952	10.2
91.05489	77.9
93.07056	61.4
95.04974	17.5
95.08611	54.1
97.02880	37.3
97.06529	18.5
97.10172	14.0
99.04453	15.0
103.05494	5.3
105.07043	62.3
107.04958	15.9
107.08588	38.0
109.02870	16.1
109.06545	8.5
109.10168	24.1
111.04444	7.1
115.05372	8.0
117.07040	22.0
117.56918	5.1
119.08604	44.0
121.06503	12.4
121.10161	25.1
123.08091	13.5
125.09635	15.3
127.03963	26.0
129.07014	13.6
131.08546	40.3
133.06502	6.4
133.10118	37.6
135.08073	8.5
135.11671	14.5
137.09633	8.1
139.44032	6.1
141.06981	6.5
142.07800	6.8
143.08568	14.3
145.10136	38.6
147.07957	7.9
147.11703	28.6
149.09630	16.2
149.13249	13.0
151.11157	9.4
155.08575	7.5
157.10156	15.9
159.11714	27.6
161.13303	13.9
163.11241	11.1
165.09122	6.2
169.10094	9.1
171.11676	9.8
173.09625	6.0
173.13280	17.1
175.07568	5.2
175.11026	5.4
177.12744	11.1
185.13190	6.4
189.12842	8.1
199.14729	7.1
215.17937	5.6
239.17999	7.1
246.22511	5.6
247.20741	11.4
257.19070	16.0
269.17456	9.2
275.20096	91.8
349.23819	72.8
391.25104	8.5
475.26514	6.5
493.27463	12.7
511.28958	44.5
511.58237	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	511.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	3.8
53.01245	2.9
53.03951	16.6
55.01881	20.4
55.05270	3.6
55.05512	33.1
55.90205	2.9
57.03446	25.5
61.02923	12.1
65.03931	3.7
67.05510	80.8
69.03429	52.6
69.07067	35.5
70.91029	3.8
70.91344	5.5
71.04985	13.0
73.02915	9.3
79.05497	64.5
81.03423	78.9
81.07062	100.0
83.04982	23.0
83.08646	14.9
85.02918	41.5
85.06561	6.9
87.04466	3.2
91.03938	7.1
91.05486	75.8
93.07050	73.8
95.04966	18.2
95.08617	43.7
97.02899	38.4
97.06539	23.6
97.10143	6.3
99.04454	10.3
99.08119	4.5
103.03941	4.8
105.07043	68.3
107.04951	13.4
107.08588	43.1
109.02869	14.3
109.06524	12.3
109.10149	22.7
111.04456	6.2
111.08086	7.9
116.06199	3.7
117.07062	24.1
119.08581	47.7
121.06538	8.9
121.10138	24.9
123.08097	11.8
123.11729	7.1
125.09626	8.7
127.03951	27.0
129.05475	7.5
129.07018	12.4
131.08572	32.7
133.06500	6.5
133.10136	39.4
135.08080	10.4
135.11649	14.9
137.05945	3.0
137.09615	5.1
139.11218	4.7
141.06946	3.8
143.08598	10.4
143.75238	3.0
145.04951	6.4
145.06535	5.8
145.10117	31.8
147.08163	4.3
147.11697	36.6
149.09642	18.6
149.13251	11.7
151.11212	9.3
155.08554	6.5
157.10135	10.2
159.08083	4.0
159.11691	26.0
161.09619	5.0
161.13251	6.7
163.11200	11.4
165.12712	6.0
169.10126	7.9
171.11700	9.6
171.37944	3.4
173.04440	19.8
173.09636	3.4
173.11899	3.6
173.13255	14.6
175.11224	3.9
175.14774	3.0
177.12758	8.1
179.14255	4.2
183.06404	3.1
185.13303	4.5
187.11101	5.2
187.14967	3.7
189.11349	4.1
193.12297	4.1
195.13803	10.4
197.13255	5.9
199.11217	4.4
199.14813	3.8
213.28999	3.2
214.73091	3.2
215.14369	3.2
229.14494	5.1
229.19467	6.7
239.17999	7.4
247.20653	7.3
250.96078	3.0
257.19061	18.9
269.17493	10.1
271.16895	3.4
275.20093	79.6
281.89932	3.2
291.19495	4.4
293.21008	7.6
331.22672	7.1
349.23691	67.1
391.24844	5.2
413.21753	9.1
457.25519	3.7
493.28235	5.5
511.29095	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.9
53.17544	3.0
55.01860	11.0
55.05510	25.5
57.03448	17.5
61.02920	14.9
67.05510	62.1
69.03434	34.1
69.07076	39.7
69.85513	17.6
71.01317	3.3
71.04987	4.8
73.02923	8.4
79.05502	49.6
81.03428	35.2
81.07060	49.7
83.04980	12.4
83.08599	11.9
85.02919	27.2
85.06530	4.6
91.03945	8.9
91.05491	51.8
93.07043	43.0
95.05009	15.2
95.08619	32.7
97.02899	30.4
97.06527	14.0
97.10175	10.5
99.04439	8.7
99.08057	4.0
103.03995	4.8
105.07037	49.1
107.04945	10.9
107.06178	3.5
107.08611	44.9
109.02885	11.3
109.06482	6.0
109.10161	23.3
111.04443	6.2
111.08086	5.4
115.05488	5.0
117.07020	14.0
119.08598	37.6
121.06522	7.7
121.10179	25.1
123.08046	10.5
123.11728	4.7
125.09635	10.7
127.03899	15.5
129.05444	4.9
129.06992	7.1
131.08577	30.6
133.10136	37.1
135.08090	8.1
135.11690	12.6
137.09607	9.3
141.07030	4.3
143.08575	7.2
145.10117	23.2
147.11703	20.9
149.09625	18.6
149.13254	6.3
151.11183	6.3
153.01755	3.7
157.10123	10.9
159.08110	3.6
159.11719	18.6
161.09651	3.4
161.13286	5.5
163.11183	12.6
164.56540	3.3
169.10167	8.0
171.10236	3.5
171.11691	8.3
173.09544	3.7
173.11789	4.7
173.13208	8.3
177.12799	3.3
179.03459	5.3
183.11717	4.8
185.13153	3.6
189.11249	8.2
197.13342	4.4
227.12750	5.6
229.14417	6.2
229.19475	8.7
239.17947	11.3
247.20596	7.4
257.19000	22.2
275.20105	100.0
277.03360	4.0
293.21136	7.7
331.04565	6.3
345.06088	59.4
349.23816	80.2
350.24039	4.1
359.07352	3.8
419.24292	3.9
493.27658	9.4
511.29239	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44716	0.6
51.02396	0.6
53.03935	0.9
55.01857	0.8
67.05489	1.4
69.03427	2.7
69.07062	0.6
69.78312	0.6
70.06575	1.1
71.40301	1.0
76.95840	0.6
79.01853	3.4
79.05491	1.0
80.01694	0.7
81.03413	4.8
81.07041	1.8
85.02892	2.8
91.05471	2.7
93.07033	3.5
95.04967	1.6
95.08630	1.6
97.02896	3.6
105.07035	2.9
107.01332	1.9
107.04960	0.8
107.08604	8.5
109.02868	3.6
109.10172	1.5
109.16686	0.7
116.45958	0.7
119.04919	0.6
119.08566	1.3
121.06499	1.4
123.11678	1.1
125.02343	4.8
127.03915	6.5
131.08589	1.1
133.10130	7.8
135.08086	1.0
135.11694	7.6
137.05966	1.6
137.09579	0.7
139.03975	0.8
143.03407	4.5
149.09702	0.8
151.03896	2.0
151.11189	0.8
153.01834	100.0
153.02876	4.6
154.02147	0.9
161.09599	4.7
171.02873	11.0
179.10670	12.5
190.91833	0.6
197.11732	35.5
198.12021	0.9
211.81015	0.7
285.16827	0.7
287.05698	0.9
291.57028	0.6
297.06134	2.8
303.53888	0.8
315.07083	7.3
357.48553	0.6
511.18378	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.4
57.03436	1.7
57.07079	100.0
59.05005	35.0
67.05503	2.1
67.57756	1.3
69.07050	4.3
71.08635	85.0
73.02917	33.5
73.28713	1.3
81.07048	2.2
83.08619	3.6
85.10190	70.1
87.04427	3.0
89.06032	6.1
91.05487	1.8
95.08618	2.1
97.10181	2.0
98.21523	3.3
99.11747	12.1
101.09653	2.1
101.58359	1.3
103.07581	1.5
104.78379	1.6
105.07037	1.6
113.13279	2.6
117.05503	1.2
117.09168	8.3
131.08624	1.8
133.08612	3.5
133.10178	2.0
155.17955	8.6
170.26291	1.3
172.28171	1.6
173.96996	1.6
177.11189	1.6
195.12242	5.9
205.10721	4.4
213.22121	11.8
223.11705	1.8
243.23248	3.4
243.83028	1.4
253.16441	2.0
271.26382	5.5
510.39056	1.9
511.38055	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43864	1.3
55.05520	2.9
57.03415	1.5
57.07078	100.0
57.57488	1.4
59.05005	38.6
64.97486	1.4
67.05496	1.9
69.07040	2.9
71.08635	67.8
71.29102	2.8
71.35233	1.4
79.44839	1.5
81.07055	4.5
81.86892	1.5
83.08616	2.9
85.10187	63.8
86.58108	1.6
87.04484	1.7
89.06053	11.4
95.08603	2.2
97.10187	3.9
99.11754	8.7
100.87877	1.4
101.09660	3.2
107.07046	1.6
113.13264	4.9
117.09132	16.2
133.08681	1.7
145.10063	1.8
147.10173	3.6
155.17924	8.5
205.14343	2.6
213.22118	14.9
223.15329	3.0
256.26364	2.2
271.26382	18.0
329.30264	1.8
493.41132	2.2
510.42203	2.9
510.48746	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	510.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11731	1.7
53.03946	1.8
55.01872	2.8
55.05269	1.5
55.05505	6.9
57.03436	6.6
58.59737	1.4
59.83447	1.4
67.05510	16.8
69.03430	2.7
69.07063	9.0
69.31793	13.2
71.04982	3.8
72.62424	1.5
79.05482	10.6
81.03422	2.0
81.07061	48.7
83.04978	9.0
83.08615	6.7
85.02897	8.1
85.06539	3.3
87.46896	1.8
91.05473	15.1
93.07039	12.1
95.04961	2.6
95.08619	14.6
97.02902	3.8
97.06524	4.3
99.00861	1.6
99.04480	1.6
99.08077	2.6
105.07047	19.1
107.08616	11.3
109.06521	4.8
109.10185	5.2
111.04430	4.0
111.08091	2.1
119.08603	17.1
121.06519	5.1
121.10143	12.9
123.08028	3.6
123.11697	17.5
125.05981	2.9
131.08592	2.9
133.10135	4.7
133.28044	1.8
135.08035	2.2
137.05984	9.2
139.03935	3.3
147.08115	1.6
147.11697	46.6
147.12816	3.1
149.09676	2.3
151.07527	2.3
153.01830	6.6
157.10173	3.3
165.12769	21.2
167.07228	1.7
175.11198	4.4
183.13811	1.9
193.12245	4.1
203.15749	1.7
229.14392	6.7
267.15930	57.8
276.19638	7.6
279.98883	1.8
285.16980	100.0
320.22220	53.6
327.74655	1.8
338.23251	23.6
347.10535	2.6
397.44205	1.8
398.47510	1.6
457.20856	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	510.3541
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
55.05511	1.3
55.63786	0.5
56.05032	1.0
57.03428	0.6
57.07079	5.0
57.25996	0.6
57.40034	0.5
58.06609	1.5
58.82473	0.5
60.08168	16.4
67.05508	2.4
68.05832	0.6
69.07077	1.5
71.07382	5.6
71.08627	2.3
71.51105	0.9
75.14872	0.6
79.05492	0.6
81.07065	3.0
83.08625	1.1
85.10196	1.4
86.09714	46.0
86.63998	0.5
91.05557	0.5
93.07066	0.5
95.08624	2.9
97.10185	0.6
98.98476	3.6
104.10752	100.0
105.07030	0.6
105.11131	0.7
109.10126	1.0
115.42451	0.6
125.00013	27.1
129.07104	0.5
130.94942	0.5
131.08644	0.6
132.08881	0.6
143.08551	1.6
144.08882	0.9
145.10112	0.7
155.08571	1.0
157.10103	1.3
159.11769	0.7
163.01448	0.8
169.10095	0.9
171.11699	0.7
181.10074	0.9
183.11655	1.4
184.07356	96.1
196.42006	0.6
197.13309	0.9
208.12248	0.5
239.23714	1.0
248.91496	0.5
256.33539	0.7
258.11115	1.7
313.27237	2.1
327.28830	1.3
337.84756	0.6
436.33017	0.8
474.34921	0.7
492.34518	8.2
510.35754	30.6
511.35864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07221	4.3
55.05503	11.0
57.03428	7.3
57.07080	100.0
61.02919	4.3
67.05508	30.6
69.03426	11.4
69.07064	17.2
71.08246	5.1
71.08635	70.0
79.05500	5.4
81.03429	7.5
81.07063	42.7
81.23222	3.8
83.08630	24.1
85.02893	22.6
85.10191	42.9
86.09700	7.6
88.75028	3.7
89.06020	5.2
92.12342	3.5
95.08622	63.7
97.02889	12.0
97.10162	13.0
98.21512	12.1
104.10737	16.0
109.02892	6.0
109.10181	27.9
123.11749	9.6
127.03910	22.8
137.13223	6.8
145.04968	14.4
161.59790	4.1
184.07381	13.9
239.23700	81.3
257.24725	5.6
313.27368	72.1
331.28311	11.8
383.27817	36.3
401.29034	55.6
510.35593	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	510.247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98695	0.6
53.03949	0.6
55.01869	2.4
55.05501	2.8
57.03442	0.8
62.06094	5.6
62.07833	0.7
67.05505	3.6
69.07078	3.5
71.24496	1.1
73.67082	0.6
76.11800	0.7
79.05492	3.8
79.66336	0.5
81.07063	19.2
83.04964	2.5
83.08640	2.0
91.05478	2.1
93.07035	3.5
95.04956	0.7
95.08608	5.6
97.06525	1.2
98.98479	2.6
105.07025	2.1
107.08592	4.4
109.06519	8.1
109.10174	2.3
111.04447	15.8
111.08071	1.5
113.05975	1.0
117.07058	0.6
119.08595	4.1
121.06492	0.7
121.10139	3.9
123.08082	1.9
123.11724	1.4
125.05984	3.6
131.08556	2.0
133.10136	4.2
135.08026	3.0
135.11697	3.7
137.05983	100.0
137.09547	1.5
137.13255	1.2
138.06328	1.0
139.07506	1.3
142.02644	0.9
143.08585	1.8
145.10138	1.5
147.08055	1.0
147.11684	6.1
149.09604	3.7
149.13348	1.1
151.07568	4.1
151.11269	0.9
157.10138	1.6
159.11752	0.9
161.09613	6.8
161.13290	1.8
163.11197	3.5
163.14703	0.9
165.09128	2.6
167.10728	0.8
171.11703	1.4
175.11188	5.6
175.14822	1.3
179.10675	2.1
181.12158	1.4
189.12709	1.7
193.12245	1.7
198.05190	0.7
203.14314	0.7
203.17958	6.9
205.19539	0.6
213.16420	3.0
216.06371	1.8
221.19035	2.9
231.17433	8.7
241.15891	1.4
249.18503	7.5
260.55759	0.6
276.19525	1.2
277.17996	71.3
278.18387	1.4
295.19043	5.9
320.22217	6.3
337.11853	0.8
338.23114	0.6
345.05939	1.1
351.21677	56.0
352.22067	1.3
369.22607	3.9
394.25644	1.1
431.18326	42.5
449.19293	1.2
456.21613	1.2
474.22653	8.6
492.23691	15.9
493.23932	0.7
510.24960	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	510.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.7
55.05510	4.5
57.03419	1.3
57.07059	0.8
62.06072	0.9
67.05508	5.5
69.07075	4.2
71.50954	0.9
75.96434	0.5
79.05502	5.0
81.07059	23.2
83.04962	2.4
83.08601	1.9
91.05483	3.8
93.07052	5.6
95.04953	1.1
95.08605	6.4
97.06506	1.6
97.10165	0.5
98.98506	0.6
105.07028	3.9
107.08574	4.1
107.91776	0.5
109.06522	9.5
109.10167	3.4
111.04443	17.3
111.08074	1.6
113.05991	0.6
119.08567	4.1
121.06487	1.9
121.10140	4.3
123.08056	2.4
123.11730	2.3
125.05984	5.2
131.08568	1.7
133.10144	6.4
135.08049	2.9
135.11688	5.0
137.05983	100.0
137.13275	1.5
138.06349	1.1
139.03911	0.8
143.08577	1.1
145.10136	1.1
146.54485	0.5
147.08011	1.5
147.11700	7.0
149.09641	3.9
149.13257	1.9
151.07535	2.7
151.11198	0.7
153.01811	0.7
157.10133	2.3
159.11714	1.6
161.09630	5.4
161.13257	3.2
163.11238	2.8
163.14845	0.8
165.09143	2.5
165.12759	0.8
167.10667	1.3
171.11763	0.9
173.13284	0.9
175.11180	5.0
175.14856	1.2
177.09187	0.7
179.10690	2.0
181.12256	0.9
184.47481	0.6
185.13318	0.7
189.12822	1.2
193.12242	1.5
203.17964	5.3
205.19572	0.9
208.12521	0.6
213.16412	2.8
216.06462	1.4
221.19142	1.8
231.17444	8.7
231.19489	0.6
241.15846	1.2
249.10136	0.7
249.18510	6.4
263.11871	1.2
265.09619	0.6
265.13568	1.2
277.18002	60.3
278.18521	1.6
279.11325	1.3
295.19128	8.2
309.12527	2.5
320.22302	3.3
338.12552	0.8
348.07550	0.7
351.21680	58.1
352.22241	2.0
353.11343	0.9
369.14783	2.5
369.22739	25.6
397.18524	1.8
428.71893	0.6
431.18311	1.7
435.29794	0.6
474.22787	1.0
492.23831	1.6
510.27075	20.9
511.28104	1.0
514.97156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42538	0.9
53.03959	2.0
54.46097	0.9
55.01865	2.5
55.05522	5.1
57.03450	3.1
58.99596	2.4
59.87665	1.0
60.04533	27.5
61.01150	2.2
65.03950	1.6
67.05510	9.7
69.03444	5.0
69.07080	6.9
69.32219	9.4
70.06602	2.9
71.04990	3.1
73.01138	1.7
74.00670	2.6
74.06064	1.0
75.97051	0.9
76.02258	1.2
79.05509	10.1
80.05023	1.3
81.03410	3.2
81.07064	12.5
83.04991	3.5
83.08614	2.8
85.02911	7.8
85.06551	1.9
86.00648	3.0
88.02228	11.2
88.04001	4.6
89.00626	4.5
91.05483	10.2
93.07053	14.1
95.04986	4.9
95.08624	13.4
97.01118	2.2
97.02912	1.7
97.06566	2.1
97.10180	2.6
99.02663	2.1
99.04467	6.4
99.08096	1.4
100.02227	1.1
101.00618	1.5
105.07041	10.7
107.04933	1.3
107.08601	21.9
109.02908	1.5
109.06529	4.3
109.10163	10.4
111.02690	2.5
111.08094	2.0
115.02200	1.2
116.01661	5.6
117.00111	1.7
117.07026	2.8
119.08598	12.5
120.01199	1.4
121.06512	6.7
121.10129	8.4
122.02731	2.2
123.02740	1.3
123.08102	3.4
123.11714	3.1
124.03926	1.1
124.07572	1.2
125.04212	1.4
125.09635	3.2
126.03736	3.8
126.62310	1.1
127.02165	3.6
129.07048	2.0
131.08559	7.8
132.01169	8.8
132.99513	1.3
133.06569	1.2
133.10156	7.1
134.02727	3.0
134.09676	1.2
135.08073	5.8
135.11691	6.8
136.07529	1.0
137.05978	1.5
137.09590	6.0
139.05745	1.4
141.07327	2.0
143.08527	1.5
145.10178	6.2
147.08032	2.5
147.11697	5.9
149.09592	1.3
149.13258	4.9
151.05862	1.3
151.11142	1.2
153.01817	2.2
153.12810	1.6
157.10138	1.6
158.10941	1.5
159.01079	1.8
159.11653	1.6
161.09666	4.9
161.13266	4.4
162.02228	1.8
163.11246	1.8
163.14890	3.2
165.07442	1.6
165.09146	4.6
167.05261	3.1
172.04239	6.1
173.02795	1.1
173.13284	16.2
174.05823	3.2
174.14113	1.3
175.14836	1.8
177.12784	1.2
179.14381	1.8
191.14346	12.8
207.10349	4.9
207.12010	1.5
209.08063	3.0
222.13077	1.5
223.11568	10.0
225.11302	2.6
227.16475	7.8
241.12613	22.6
248.14795	2.9
258.04160	1.3
266.15781	3.6
267.14102	2.8
284.17017	1.0
292.13852	1.3
294.15298	17.1
294.24271	1.7
312.16302	61.9
312.25235	2.0
330.17377	100.0
330.26190	10.0
331.17694	1.5
348.27460	21.4
408.90298	1.1
492.32379	1.6
510.24875	2.4
510.32751	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	510.237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82213	1.3
55.01867	2.6
55.05520	6.9
57.03442	2.0
57.07074	2.2
58.99580	3.7
60.04530	39.1
61.01155	1.8
65.03927	1.6
67.05507	12.2
69.03434	7.1
69.07066	8.2
70.06578	4.0
71.04984	3.9
71.26790	1.1
71.51566	1.5
72.04504	2.3
73.02911	1.4
74.00646	2.3
76.02209	1.1
79.05495	8.7
81.03430	2.4
81.07066	17.9
82.06579	2.5
83.04976	4.1
83.08620	2.3
85.02906	7.8
85.06529	2.7
86.00650	4.0
86.09730	1.6
86.99062	1.2
88.02225	12.8
88.03982	5.1
88.95015	1.7
89.00592	4.3
91.05481	10.6
93.07047	15.2
94.06567	2.3
94.98917	1.2
95.04958	5.3
95.08615	13.9
97.01148	1.6
97.02881	4.7
97.06522	2.5
97.10158	2.4
99.02673	3.0
99.04465	11.8
101.00562	1.4
105.07007	11.9
107.04952	1.4
107.08594	28.5
109.02896	1.5
109.06511	4.9
109.10171	11.3
111.02663	2.2
112.02182	1.3
113.04227	1.3
114.03763	1.4
116.01680	4.4
117.00137	1.7
117.07021	3.6
119.08599	13.5
121.06517	6.0
121.10149	13.5
122.02716	2.6
123.08061	4.6
123.11669	2.3
123.98164	1.3
124.07667	2.0
125.04236	2.7
125.09628	4.3
126.03750	3.3
127.02142	3.0
127.03891	1.6
129.07123	1.1
131.08578	8.1
132.01181	8.0
133.06496	1.8
133.10144	9.3
134.02666	1.9
135.08072	5.0
135.11740	7.3
137.06018	2.3
137.09633	2.8
139.05763	2.2
143.08565	2.0
145.04987	1.6
145.10135	6.4
147.07999	2.5
147.11690	4.4
149.05997	1.5
149.09529	1.6
149.13242	3.8
153.01797	3.0
153.12738	3.1
157.10219	1.6
158.10829	1.5
159.01147	1.9
159.11659	1.7
161.09793	1.7
161.13196	6.4
163.14781	4.3
164.46777	1.3
165.07361	3.3
167.05215	2.6
171.11655	2.0
172.04280	4.4
173.13287	20.9
174.05809	1.8
175.14830	3.9
179.14313	3.4
183.13777	3.1
189.12817	1.5
190.15968	2.1
191.14331	17.5
205.10394	1.4
206.10185	1.2
207.10182	2.2
223.11514	7.7
224.11382	1.9
227.16403	12.3
241.12608	21.8
250.06984	1.4
266.15768	2.8
267.14084	1.8
276.23224	1.5
294.15265	21.1
294.23935	1.7
312.16309	61.1
312.25421	3.5
316.13663	1.7
328.08893	1.2
330.17365	100.0
330.26221	13.8
331.17929	2.5
348.23444	2.3
348.27454	32.7
372.26703	1.3
380.37250	1.7
492.17166	3.0
492.32190	2.4
510.23074	1.3
510.25610	1.8
510.32959	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	510.2124
Annotation	Hygrocin A
Peak:m/z	Relative Intensity
51.20796	1.4
51.64431	1.2
53.11233	1.5
54.08066	1.2
55.05508	1.6
56.10038	1.2
65.03938	6.2
67.05489	5.8
68.99767	1.7
69.03427	2.5
69.07070	3.4
71.00825	3.5
79.05492	4.4
81.03410	2.3
81.07053	5.6
83.04987	2.1
85.02905	3.9
86.09702	2.6
89.54385	1.4
91.05487	71.6
93.07039	3.7
95.04967	5.2
95.08604	4.5
97.02882	1.8
97.06536	1.8
98.09684	4.2
105.07030	6.0
107.04942	3.2
107.08588	2.6
109.06513	4.7
111.04441	3.6
115.05448	1.6
117.07032	2.2
119.04950	34.3
119.08636	3.6
121.06536	3.6
121.10132	2.4
123.04435	13.2
127.03887	1.5
129.07013	2.4
131.04999	3.4
131.08531	2.0
133.06485	2.1
133.10138	2.0
135.04431	1.6
137.05986	100.0
138.05434	1.8
139.03905	41.4
143.08511	2.2
145.10103	3.4
147.11688	7.5
149.06020	2.6
149.09602	1.7
150.05504	5.3
151.03876	9.7
151.06354	2.8
151.07440	1.7
152.07057	3.7
153.01828	3.1
153.05479	1.9
154.08647	2.5
159.08104	1.4
160.69925	1.5
161.05971	5.2
161.09743	1.7
162.05469	1.9
163.03903	6.1
164.07077	10.8
165.05566	1.4
171.08095	2.1
173.09669	3.8
176.07066	1.9
177.05479	1.7
181.04980	1.6
185.09685	2.1
189.09099	13.3
190.12321	10.1
191.10678	3.5
201.09062	2.5
202.12210	2.1
206.11781	2.7
217.31081	1.5
218.11824	8.3
219.10115	2.2
230.11493	1.7
236.12854	3.2
274.10757	2.5
286.10712	5.4
300.12491	10.2
302.10339	2.5
312.12238	2.1
326.10571	2.1
326.17590	8.2
328.15372	12.9
329.14005	1.7
330.17197	2.0
342.16998	7.6
354.16977	19.3
356.14804	3.3
366.16754	2.4
372.17941	17.1
438.15491	24.7
464.20685	5.6
492.20181	50.4
510.21289	38.3
510.28793	2.3
511.20706	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60455	4.8
53.03952	34.5
55.01877	33.6
55.05521	80.4
57.03445	45.8
59.04997	5.6
59.38581	5.3
61.02949	5.7
65.03936	11.9
67.05511	90.4
69.03436	100.0
69.07066	32.1
70.48782	11.9
70.49133	9.3
71.01376	8.2
71.05010	28.4
77.03983	5.9
79.05503	91.9
81.03423	99.6
81.06598	6.0
81.07064	81.6
83.04980	26.4
83.08618	40.7
85.02911	29.3
85.06566	8.4
91.05482	69.8
93.07047	80.4
95.04966	35.1
95.08609	31.9
97.02899	40.8
97.06532	17.0
97.10176	71.8
99.04444	23.6
101.02397	5.8
103.03909	6.2
103.05480	5.3
105.07037	53.7
107.04955	36.1
107.08606	54.0
109.02899	30.5
109.06527	25.0
109.10142	30.4
111.04432	7.8
111.08122	8.3
115.05441	6.2
117.07040	29.1
119.08590	55.5
121.06542	24.9
121.10139	31.3
123.04491	7.1
123.08067	13.8
125.09653	62.6
127.03915	48.3
129.05489	6.2
129.07021	14.4
131.08565	37.2
133.06520	13.7
133.10158	25.5
135.08044	26.6
135.11780	9.1
137.05991	14.6
137.09645	14.7
139.03979	7.9
143.08582	16.5
145.06557	8.2
145.10123	29.9
147.08047	28.9
147.11691	12.7
149.09659	11.4
153.09082	9.2
155.08551	6.6
157.10191	17.5
159.08092	6.1
159.11775	10.6
161.09627	10.9
163.11182	13.8
165.09065	9.5
167.10748	5.6
171.10257	13.6
171.11624	9.3
173.04451	47.0
173.09682	6.8
173.13219	7.4
175.11154	9.2
183.06615	9.1
189.09290	8.9
189.11227	79.5
189.12834	6.3
201.07555	4.9
201.12773	10.2
219.13850	14.1
221.15152	5.4
223.13365	9.3
227.12799	21.2
229.12248	6.7
233.15430	8.2
245.13893	6.9
245.19020	6.1
263.19989	10.1
265.14017	6.8
273.18518	78.1
274.18848	5.7
275.20129	6.4
277.22717	5.0
291.19534	76.6
292.06708	5.5
347.22318	15.9
365.23322	12.4
371.21948	5.6
385.23825	11.2
437.15649	6.1
455.23984	6.6
459.27444	13.2
477.28577	7.6
509.27420	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.6
67.05531	1.4
69.07068	1.5
69.43092	11.3
70.06573	1.7
79.05482	3.3
81.07051	5.6
81.20901	1.5
85.02905	2.8
89.91095	1.5
91.03236	1.2
91.05489	14.4
93.07047	5.4
94.04189	4.2
95.04956	2.0
95.08607	2.4
98.21493	2.5
103.05477	2.4
105.07046	7.3
107.04961	6.5
107.08608	2.5
109.06461	2.3
109.10168	2.4
115.05457	4.2
117.07005	4.0
119.04933	8.5
119.08620	2.9
121.02870	1.4
121.06501	7.6
121.10158	2.4
122.03667	6.3
122.42591	1.4
123.08057	3.1
124.03976	1.7
128.06210	3.5
129.07014	7.9
131.04926	6.0
131.08585	3.2
133.06490	3.0
135.08057	3.9
136.05258	1.6
137.05984	85.6
143.04945	2.4
144.05695	1.3
145.06482	2.9
146.03648	3.8
146.07265	5.0
147.04449	3.7
147.08037	3.6
148.05220	4.1
149.05965	6.0
151.03908	2.7
151.07558	34.1
153.01813	4.8
153.03053	1.4
157.06482	5.9
159.04391	1.6
159.08028	2.3
160.05223	2.7
161.05991	100.0
161.09627	17.9
163.07550	8.9
165.07021	3.6
165.09132	5.3
167.07028	2.5
174.06792	5.7
175.07538	19.7
177.09135	5.8
179.07056	1.8
179.08533	1.9
181.06500	2.5
183.08029	1.5
187.07568	1.9
189.09122	53.7
191.10651	1.4
195.10207	16.7
202.07924	1.5
205.06517	2.2
207.08133	2.0
207.10167	55.9
211.07553	1.5
212.08296	1.9
219.10135	2.0
221.06032	2.4
222.06793	1.7
223.07468	1.8
225.09102	3.2
233.06003	2.9
234.06677	2.2
235.07538	2.9
235.25560	1.3
236.08228	1.6
237.09122	5.8
239.06894	1.8
241.08574	2.0
249.09206	4.5
250.06329	1.5
251.10823	1.3
253.08623	5.1
264.07779	1.7
265.08734	10.9
266.09674	2.1
267.10257	3.8
270.08990	3.7
273.09103	2.6
277.08585	5.6
277.12067	1.6
279.10175	2.5
280.07727	1.5
280.10870	1.7
281.08020	1.9
282.08673	1.5
283.09677	5.5
285.11215	9.2
290.09329	1.4
291.10165	2.1
295.09787	2.5
296.10553	1.7
297.11307	18.1
299.12766	3.3
305.11655	2.8
308.10583	2.2
309.11331	5.6
311.12799	19.9
317.13873	3.0
323.12784	6.2
325.14188	1.9
337.14322	14.1
343.15399	2.0
347.07516	2.6
349.14386	2.8
355.15387	11.3
367.15308	3.9
461.19821	1.7
479.20670	3.6
491.20447	2.1
509.19397	7.5
511.20950	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
54.51228	0.8
55.01860	1.6
65.03931	1.3
67.05497	3.0
69.03420	2.7
69.07069	2.0
69.62183	0.9
70.04063	1.2
70.06591	2.2
70.08865	3.3
78.14161	1.0
79.05505	4.5
79.27946	0.9
81.03421	1.4
81.07054	4.0
83.04987	1.0
85.02909	1.2
86.09678	1.0
91.05476	16.4
93.07071	4.3
94.04174	3.9
95.04960	3.2
95.08601	2.9
97.02853	1.0
103.05463	5.4
105.07034	8.5
107.04964	7.3
107.08592	1.9
108.05728	1.5
109.06508	3.1
109.10156	1.4
111.04472	1.5
115.05468	5.6
116.06255	1.2
117.03333	1.2
117.06998	3.7
118.04161	1.5
119.04963	8.6
119.08591	3.1
121.02879	2.1
121.06522	8.6
121.10128	1.6
122.02982	0.8
122.03667	9.0
123.04420	1.3
123.08068	3.2
125.05982	1.4
127.03904	1.5
128.06194	3.6
129.07010	9.5
131.04936	7.5
131.08578	3.4
133.06494	3.3
133.10168	1.1
135.04428	1.7
135.08060	3.5
136.05138	1.4
137.05983	100.0
141.07030	1.1
143.04890	3.0
145.06476	5.0
146.03618	3.1
146.07283	3.1
147.04384	3.7
147.05417	0.9
147.08054	3.9
147.11699	1.6
148.05153	3.6
149.05995	5.3
149.09641	2.2
150.06747	1.2
151.03885	4.0
151.07549	46.9
153.01842	5.7
153.07019	1.6
157.06491	6.7
159.08060	2.0
160.05165	2.6
161.05992	85.5
161.09610	16.0
162.06470	1.4
163.07553	8.5
165.05472	1.6
165.06935	2.2
165.09164	4.3
167.07092	2.0
167.08549	1.5
173.05974	1.1
174.06776	6.0
175.07561	27.7
177.05563	1.7
177.07085	0.9
177.09065	4.6
178.07861	1.8
179.07077	1.9
179.08545	2.6
181.06520	2.8
187.07500	2.4
189.05461	1.4
189.07330	1.5
189.09111	48.1
190.07732	1.3
191.06934	2.6
191.08563	2.3
194.07259	2.9
195.08107	3.7
195.10147	22.7
197.05988	1.2
197.09483	1.1
199.07613	1.0
202.07767	1.3
203.08514	1.3
205.06485	3.4
205.08548	2.1
206.07278	2.1
207.08145	2.8
207.10172	49.6
208.08673	1.4
208.10544	1.6
209.05928	1.8
209.09743	1.1
210.06685	2.2
211.07565	2.1
213.09044	2.8
217.06454	1.5
218.07362	2.1
219.08055	3.2
219.10167	2.3
221.06001	3.7
221.09526	2.7
222.06740	2.1
223.07561	3.3
223.11249	1.4
224.08284	2.2
225.09109	3.2
227.07013	2.0
231.08115	1.3
233.05940	1.7
234.06731	3.5
234.10275	1.2
235.07503	3.4
236.08327	1.5
237.09074	6.3
238.06206	1.5
239.06987	2.1
239.10715	2.0
241.08569	1.9
245.09613	2.1
247.07719	1.9
248.08379	1.9
249.09122	5.8
250.06198	1.4
251.07080	2.4
251.10677	3.9
252.07675	1.2
253.08678	5.2
254.09377	1.4
255.06352	1.1
255.10211	1.0
259.07373	1.1
261.09094	1.5
262.06229	2.1
263.06924	0.9
263.10690	2.2
264.07693	1.9
265.08636	12.7
265.11731	1.5
266.09210	2.1
267.10162	2.9
269.08072	2.3
270.08859	3.4
273.09024	1.6
275.07208	1.0
277.08606	9.1
277.11929	1.8
279.10129	3.6
281.08228	2.0
281.11569	1.1
283.09549	5.1
284.10373	2.3
285.11200	10.5
291.10168	2.4
293.08063	1.7
293.11758	1.4
294.09045	1.2
295.09644	4.5
296.10529	2.7
297.11215	19.4
299.12790	4.0
299.96936	1.1
305.11658	2.7
308.10458	3.0
309.11395	5.4
310.12158	1.1
311.12796	20.9
313.10773	1.8
317.13818	3.1
323.12805	7.8
325.08371	1.0
325.14554	1.7
329.14026	1.6
337.14420	14.3
341.13818	2.2
343.15326	2.0
347.07635	2.0
349.14276	2.8
355.15421	14.7
367.15591	7.1
403.15378	1.0
415.15314	1.3
435.18005	1.2
441.16864	1.4
473.19235	1.1
479.20795	5.7
491.20258	2.8
509.21219	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	509.1291
Annotation	syringetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03931	0.8
55.01863	0.8
57.03448	0.9
61.02927	1.4
64.72692	0.7
64.97982	0.8
67.05507	1.1
69.03442	3.9
69.69405	3.9
73.02920	0.8
81.03389	1.8
81.07059	1.9
84.08142	1.0
85.02910	7.0
93.07040	1.9
95.04977	1.2
95.08601	1.2
97.02870	2.6
98.78067	0.7
105.07016	1.0
107.04944	0.9
107.08614	1.1
109.02838	1.4
109.10160	1.2
115.65899	0.7
119.08561	0.9
119.40150	0.7
121.06528	1.8
121.10149	0.8
127.03924	1.5
131.96661	0.8
133.10120	0.9
137.05968	0.8
139.03879	1.6
145.04999	0.8
145.10187	1.1
151.03929	0.8
153.01855	6.8
163.03932	0.8
165.01842	1.3
216.04321	0.9
223.03194	0.7
229.04999	1.5
230.05746	1.6
244.03740	2.0
245.72102	0.7
257.04407	1.5
258.05255	9.3
259.05911	1.6
261.04025	1.0
285.03986	1.5
286.04691	6.1
287.05518	3.6
289.03430	1.1
303.04974	4.1
313.03275	1.3
314.04337	1.9
315.05057	3.5
317.02808	1.7
331.04440	13.8
332.05249	8.5
347.07629	100.0
348.07898	1.7
461.81833	0.9
509.21964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0929
Annotation	Patuletin 3-glucuronide
Peak:m/z	Relative Intensity
53.21698	0.4
56.55745	0.4
57.03424	0.4
68.99785	0.7
69.03429	0.8
69.96793	0.4
70.06590	0.6
71.01363	2.1
71.51658	0.7
73.02926	2.6
81.03421	0.7
81.07030	0.5
83.01352	0.5
85.02438	0.7
85.02912	9.4
91.05486	0.7
94.35033	0.4
95.01324	1.1
95.08604	0.5
97.02885	0.6
101.02386	0.6
103.03922	0.5
105.07043	0.5
108.02116	0.4
109.02864	1.3
111.00819	0.5
113.02380	4.3
121.06503	1.4
131.03394	2.1
137.02322	0.9
139.03923	1.2
141.01851	1.6
153.01846	5.8
159.02896	1.3
165.01869	1.2
167.03391	1.2
193.04904	1.3
205.05028	0.6
206.05757	0.8
208.03700	1.9
217.04971	1.6
219.02885	5.7
233.04411	2.4
234.05351	1.1
244.03671	2.0
245.04486	2.3
247.02368	0.7
261.04007	1.7
262.04547	0.5
273.03992	2.7
273.12366	1.2
287.05432	0.9
287.13937	1.2
289.03391	2.3
290.04227	2.6
301.03452	4.6
315.13391	2.5
316.14148	1.0
318.03729	26.6
319.04062	0.6
333.06070	100.0
334.06265	1.9
448.16364	0.4
491.16608	4.9
509.26245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1295
Annotation	Myricetin 3',4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
51.29486	0.5
53.03944	1.0
55.01870	1.0
57.03431	1.4
61.02930	1.4
62.17464	0.6
67.05521	0.7
69.03449	3.7
69.77245	1.1
69.77659	2.1
70.06575	0.8
71.04993	0.6
73.02915	0.6
79.05515	1.2
81.03414	1.8
81.07071	0.8
85.02431	1.0
85.02914	10.2
91.05494	1.2
93.07049	0.9
97.02916	3.5
105.07043	0.8
107.05016	0.7
107.08601	0.8
109.02872	1.5
110.06013	0.8
121.02830	0.7
121.06508	1.7
127.03923	1.8
137.02361	1.6
137.05977	3.5
139.03917	3.6
145.04951	1.9
147.08083	0.7
150.03105	1.2
151.03911	1.7
151.07529	1.6
153.01839	8.3
153.05455	4.9
157.06485	0.8
161.05991	2.2
161.09587	0.8
162.03252	0.6
165.01889	3.0
178.47380	0.6
181.04941	2.5
189.09099	0.9
207.06514	1.4
207.10204	1.0
216.47971	0.7
229.05023	1.6
230.05782	1.0
237.09996	0.7
238.10596	1.1
240.41440	0.6
243.03107	0.8
244.03650	1.7
250.10722	1.8
251.11797	0.9
252.12253	1.2
253.09726	1.2
254.10089	1.0
255.02986	0.9
257.04486	1.2
258.05252	6.0
259.06113	3.1
261.03946	0.9
263.11780	3.1
264.11966	3.0
265.09781	0.7
266.10110	1.4
269.04416	1.8
272.03098	0.6
278.10107	1.0
279.11200	1.7
280.11661	1.4
281.12466	1.0
284.03159	0.8
285.03979	2.3
286.04764	6.1
287.05560	9.5
289.03500	1.0
291.08676	1.7
292.11688	1.6
295.10751	0.8
296.11084	1.0
302.04028	0.7
303.04889	3.5
309.12311	1.3
310.12561	0.7
312.11035	0.9
313.03604	0.9
313.11243	1.6
314.04147	1.3
315.04965	2.7
318.07364	0.8
324.14432	2.8
325.07175	0.7
325.11414	0.9
326.12100	0.6
327.13397	2.3
328.13751	4.4
331.04498	5.2
332.05286	3.1
336.10751	0.8
337.11243	1.4
339.13394	3.6
340.13763	11.7
347.07645	100.0
348.08057	1.6
354.11456	0.7
367.12915	4.6
368.13327	13.6
369.14130	5.2
391.73538	0.7
491.16324	1.3
509.21414	10.2
509.29123	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58067	0.4
62.10423	0.3
69.62197	0.7
69.62617	1.5
69.83328	0.3
92.10757	0.3
98.21472	0.6
98.97574	1.5
101.00868	1.6
102.04842	0.4
116.98615	0.7
119.01938	3.9
119.24427	0.4
140.98885	0.4
146.81636	0.4
158.99918	1.1
175.03009	0.5
177.00960	11.4
178.01099	0.5
182.99940	0.6
194.98782	0.5
201.00993	2.4
216.98915	0.7
217.04117	3.2
217.99019	0.5
219.02014	21.0
220.02231	0.8
225.00865	2.6
235.00058	2.1
235.01978	0.4
236.00122	1.2
236.99869	1.2
240.98885	1.3
241.98985	0.9
242.98944	0.8
243.02014	13.9
244.02321	0.5
259.00027	5.9
260.00107	3.1
261.03070	100.0
262.03192	4.2
263.02930	0.8
264.42532	0.4
264.99033	0.8
274.97726	0.4
276.98083	0.6
277.01038	3.4
278.01190	1.6
279.00919	1.9
283.00015	10.0
284.00110	7.6
284.04517	1.8
284.99826	6.5
285.99771	0.6
298.98007	0.5
300.97623	0.8
301.01028	10.9
302.01147	6.7
303.00931	5.5
304.01053	1.0
318.47351	0.4
342.95349	0.6
356.97324	0.6
359.00247	0.9
360.99976	2.3
361.17249	0.4
367.02264	3.7
383.00079	1.4
384.00241	0.8
385.03326	25.4
386.03348	1.7
400.48206	0.6
401.01566	2.6
402.01236	2.1
403.00159	4.3
403.05081	16.6
404.04712	0.7
406.99973	0.5
408.04654	1.0
425.01480	2.4
426.01349	4.7
427.01022	1.0
443.02472	3.5
444.02414	8.2
445.01996	1.8
446.49847	0.6
447.00235	1.4
456.49368	0.5
466.95456	0.6
467.01965	0.7
475.99771	0.5
484.96179	0.6
499.49835	0.5
499.99390	1.4
500.50623	0.4
508.50690	0.5
509.03580	8.6
510.03287	0.6
524.97601	0.4
527.01025	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	508.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61621	0.6
53.00317	1.2
53.03923	0.7
54.63623	0.7
55.01859	0.8
57.07072	1.7
65.03937	2.1
67.05492	0.9
68.99793	3.1
69.03445	1.0
69.07065	1.3
70.02946	1.4
70.06585	1.0
70.99112	1.3
72.04518	5.5
72.08149	1.2
73.02921	1.2
79.05489	1.5
81.07036	1.6
83.04967	1.0
84.08135	0.8
85.02905	2.1
85.06544	1.9
85.12457	0.8
86.09719	1.3
90.05563	28.6
91.05470	2.0
93.07044	5.0
94.43420	0.7
95.04969	2.6
98.02415	4.3
103.05453	1.7
103.07558	1.2
105.07011	2.1
107.04951	0.9
107.08569	1.0
107.82775	0.7
111.00835	4.6
111.04465	1.2
113.06047	1.1
116.03438	4.7
119.08569	0.8
121.02876	2.7
121.06509	39.7
121.10158	2.5
122.02740	1.7
123.04436	1.5
124.07607	5.9
127.03905	2.1
133.02867	2.0
135.04411	3.0
135.08090	1.0
137.06010	0.8
138.05516	2.1
138.12755	1.0
139.03909	100.0
140.04262	1.0
142.08694	3.9
145.02942	1.0
149.05991	1.3
149.09581	1.8
151.03868	6.0
153.01811	4.4
160.09666	1.5
161.06030	1.2
161.09616	0.7
163.03917	18.2
164.10719	14.9
167.06982	1.1
169.04904	0.8
174.11261	1.4
176.10713	6.3
177.05501	7.3
178.12291	1.6
179.07062	2.8
184.09689	7.1
190.29674	0.7
202.10783	21.6
205.04979	8.3
209.08098	1.1
220.11816	57.9
240.08702	1.1
258.18518	1.0
261.04190	0.7
271.05984	1.0
289.07083	43.6
370.14996	3.3
378.11829	1.5
490.17288	1.6
508.19040	5.6
508.29044	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	508.291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23675	0.2
51.47861	0.2
53.00302	0.3
53.03941	1.0
55.01861	0.2
56.05035	0.3
56.11420	0.2
59.68107	0.3
59.82691	0.2
60.72025	0.2
68.99801	0.3
69.03424	0.5
69.07078	0.3
70.06588	0.5
71.50757	0.3
71.51134	0.3
72.04504	0.4
72.08146	0.3
77.03942	0.3
77.66930	0.2
79.05495	0.8
81.07050	0.5
84.04509	0.3
84.08147	0.3
85.02905	0.6
86.09708	0.6
87.79721	0.2
90.05553	1.3
91.05483	3.7
92.19412	0.2
93.06483	0.5
93.07050	7.3
93.18929	0.2
95.04950	1.1
97.02933	0.3
98.06013	0.3
103.05470	4.0
105.04510	0.6
105.07032	0.9
107.04958	0.3
107.08570	0.4
109.06475	0.4
111.00794	0.3
117.06961	0.3
119.08609	0.5
120.08131	0.3
121.06509	100.0
121.10109	1.2
122.06039	0.3
122.06857	0.8
124.07592	0.3
127.03933	0.3
130.05067	0.3
133.10147	0.4
135.04419	0.4
137.05963	0.3
138.05493	0.8
139.03903	5.3
147.08031	0.3
149.05952	0.6
149.09633	3.3
151.03880	0.3
153.01863	1.2
159.04482	0.3
163.03973	1.3
164.10724	56.0
165.11044	0.5
176.10709	5.4
177.05476	4.8
178.12296	0.4
181.05075	0.3
184.09744	0.4
200.11388	0.3
202.10786	0.7
205.04935	0.4
220.11810	2.6
289.07120	2.2
345.09711	0.8
346.23703	0.6
508.20010	3.1
508.29037	24.5
509.29431	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.4
55.01894	1.0
55.02168	1.1
55.05517	16.7
57.03441	2.0
57.07080	47.8
65.03941	1.9
67.05508	58.9
68.81083	0.9
69.06721	1.9
69.07073	19.9
69.14034	1.1
71.04997	3.3
71.08637	30.4
71.51700	1.4
79.05500	29.5
81.03427	3.5
81.07062	76.5
83.04980	5.1
83.08621	24.6
85.06554	2.7
85.10190	16.5
91.05487	16.2
93.07050	37.6
93.07646	2.0
95.04964	3.8
95.08608	38.6
96.08959	1.1
97.06535	7.0
97.10180	8.7
99.08110	2.9
105.07015	8.1
107.08600	21.0
109.10177	13.6
111.08076	5.0
111.11739	2.9
113.20576	0.9
117.07019	6.6
119.08630	1.8
121.10142	10.4
123.11723	8.5
131.08560	6.7
133.10143	7.8
135.11694	8.8
137.13283	4.7
141.32834	1.1
147.11703	1.4
149.13278	24.5
151.11130	1.2
159.11714	10.5
167.14349	1.8
177.12708	5.7
195.13843	14.6
195.15501	1.3
204.04909	2.7
205.54501	1.2
213.14767	1.3
239.23721	10.6
507.40552	100.0
508.40646	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	507.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.4
55.01875	1.4
55.05270	1.2
55.05518	19.9
57.03441	2.4
57.07080	48.4
63.40917	0.9
65.03932	1.5
65.21905	0.9
67.05511	64.6
67.63808	0.8
69.03450	1.4
69.07075	25.3
71.04990	2.9
71.08639	34.4
71.51748	0.9
75.02804	0.9
79.05499	31.7
81.03413	3.8
81.07063	78.1
83.05015	4.9
83.08625	27.5
83.67484	0.9
85.06557	5.8
85.10185	17.0
91.05489	17.7
93.07056	38.8
95.04971	3.8
95.08615	41.9
96.08913	1.0
97.06534	7.1
97.10178	10.0
99.08112	2.3
99.11706	1.0
105.04510	1.6
105.07037	7.5
107.08604	22.4
109.06509	2.3
109.10168	18.6
111.08062	3.6
111.11726	2.5
117.07016	5.5
119.08567	2.9
121.10154	12.0
123.11712	8.3
125.13269	2.1
129.16591	1.0
131.08545	7.1
133.10129	8.9
135.08052	1.5
135.11717	8.8
137.13301	2.3
147.11731	1.4
149.13260	23.7
151.11255	1.2
159.11736	7.7
177.12791	4.2
187.14847	1.1
195.13823	16.1
209.78438	0.9
213.14845	1.4
239.23709	9.1
241.97073	1.1
298.64127	0.9
395.08966	1.1
426.01965	1.0
441.99878	1.0
507.40472	100.0
508.40701	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	507.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.01888	1.1
55.05512	18.3
57.03449	2.0
57.07082	45.9
65.03947	2.7
67.05509	60.3
69.07069	21.1
69.41004	6.3
71.04984	4.6
71.08241	1.4
71.08636	31.9
79.05497	29.7
81.03425	3.9
81.07062	80.8
83.04997	4.0
83.08147	1.9
83.08624	22.0
85.06568	4.0
85.09713	1.7
85.10184	15.1
91.05484	18.5
93.07050	36.9
93.18665	0.7
95.04963	4.9
95.08611	41.5
96.08955	1.0
97.06534	6.5
97.10176	8.3
97.93414	0.9
98.21479	1.7
99.08098	2.1
99.11716	1.1
99.14891	0.9
105.07041	7.1
107.05034	0.8
107.08603	21.3
109.06536	1.2
109.10161	14.7
111.08109	4.1
111.11754	2.2
117.07029	5.7
119.08577	2.2
121.06598	0.9
121.10146	8.8
123.08067	0.9
123.11722	8.1
125.13284	1.8
131.08559	5.8
133.10127	8.2
135.08090	2.5
135.11702	9.5
137.13242	1.8
139.14786	1.0
145.10118	1.2
147.11734	1.3
149.13264	18.5
149.14377	1.3
159.11693	6.9
165.16621	0.7
167.14433	0.9
177.12746	5.1
189.11259	1.1
195.13826	10.9
196.14149	0.9
200.97397	1.0
221.22627	1.9
238.44922	1.0
239.23738	9.0
245.11665	0.8
417.63577	1.1
447.80817	0.9
507.40552	100.0
508.40866	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	507.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.4
55.01876	2.2
55.05513	20.1
57.03439	4.8
57.07080	48.6
59.04987	1.5
63.07133	1.1
65.03947	2.3
65.49712	1.3
67.05508	68.7
69.07074	23.9
71.04999	3.0
71.08638	33.0
79.05495	30.3
81.03425	4.2
81.07060	80.5
83.04972	4.3
83.08624	27.4
85.06539	5.2
85.10184	19.5
89.06021	2.4
91.05490	19.3
93.07050	38.7
95.04983	5.0
95.08612	47.1
97.06519	6.7
97.10192	8.6
99.08086	2.2
105.07040	7.6
107.08607	21.1
109.06573	1.8
109.10178	18.2
111.08101	5.3
111.11742	2.7
113.66648	1.2
117.07038	7.1
117.21860	1.2
119.08589	2.6
121.06429	1.3
121.10158	12.9
123.11699	10.0
125.09692	1.4
125.13290	1.5
131.08582	7.0
133.10147	8.8
135.08150	1.4
135.11696	8.2
137.13242	2.4
147.11734	2.1
149.13274	25.1
151.11215	2.2
159.11681	10.8
160.86040	1.4
167.14404	1.4
177.12776	3.8
195.13853	11.8
213.14966	1.5
229.14369	2.7
239.23657	9.0
261.22229	1.7
335.25790	1.6
342.97357	1.4
388.54645	1.4
489.35767	3.0
507.40540	100.0
508.40402	2.2
516.89313	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.7
55.05242	1.5
55.05512	30.7
55.05758	2.3
57.03436	6.2
57.07077	46.8
59.04993	1.7
61.25180	1.2
65.03951	4.3
67.05507	95.9
69.03466	1.5
69.07072	31.3
69.07416	2.1
69.64104	7.5
71.05000	4.9
71.08635	33.3
71.09011	2.1
79.05495	39.5
81.03429	3.8
81.07059	100.0
83.04993	4.3
83.08619	28.5
85.06569	3.6
85.10186	17.1
91.05489	26.6
93.07050	43.5
95.05013	5.1
95.08614	55.6
97.06526	7.8
97.10182	12.0
99.08113	2.3
99.12518	1.2
105.07041	12.8
106.26696	1.2
107.08596	26.0
109.06574	1.7
109.10160	40.6
111.08127	5.6
111.11746	2.2
113.09585	1.3
115.05522	1.4
115.64870	1.4
117.07019	8.3
119.08558	9.8
121.10153	14.0
123.11722	13.7
125.09687	5.1
131.08566	10.9
133.10130	14.5
133.10957	1.2
135.08145	2.3
135.11702	12.4
137.13327	3.3
139.11223	2.1
145.10187	4.5
147.11679	6.5
149.13268	23.1
149.14374	1.6
149.57669	1.3
151.11246	2.1
155.10690	2.7
159.11673	12.6
161.13319	2.9
167.14354	1.6
173.11824	3.4
173.13208	2.1
177.12827	5.7
187.14951	2.1
189.11328	2.3
195.13814	10.8
213.14977	1.9
221.22908	1.8
227.12979	4.7
229.14348	13.5
236.85518	1.5
239.23705	11.6
243.21228	2.3
261.22101	9.9
263.23907	1.6
335.25818	9.2
367.84488	1.6
379.30276	1.5
397.31219	2.8
400.97568	1.3
415.32349	1.6
433.33640	3.0
489.35736	12.9
507.28290	2.5
507.40756	94.7
508.41122	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.05264	1.4
55.05515	17.1
57.03431	2.8
57.07079	47.3
57.94626	0.9
59.04990	2.3
65.03926	1.9
65.69091	1.0
67.05510	57.4
69.06729	1.5
69.07073	21.6
70.63631	1.1
70.63956	1.6
71.04995	2.2
71.08638	33.2
72.89016	0.9
79.05493	28.4
81.03410	1.9
81.07062	68.5
83.04986	3.4
83.08621	20.9
85.06550	4.0
85.09727	1.4
85.10191	15.8
85.48154	1.0
91.05492	15.0
93.07047	35.0
95.04961	3.7
95.08613	38.9
97.06541	5.1
97.10169	6.8
99.08102	2.3
99.11751	1.5
105.04507	1.9
105.07053	5.0
107.08601	16.4
109.10166	13.2
111.08099	4.9
111.11697	2.3
117.07004	4.7
119.08624	2.1
120.36815	0.9
121.06519	0.9
121.10165	9.5
123.11729	8.4
125.09654	1.5
125.13272	1.0
131.08588	6.4
131.35030	1.0
133.10115	8.0
135.11723	7.5
137.13272	2.7
139.11215	1.2
144.09296	1.1
147.11685	1.1
149.13269	23.2
151.11176	1.1
157.12209	1.1
159.11691	8.4
167.14291	1.4
177.12750	5.3
186.73413	1.2
195.13837	17.2
213.14874	2.3
218.82120	1.1
221.22603	1.9
239.23698	10.8
507.40530	100.0
508.40884	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
55.05264	2.2
55.05512	24.9
57.03434	8.7
57.07065	5.1
59.05006	3.3
65.03936	4.4
67.05509	100.0
69.03441	1.8
69.07076	16.2
69.66427	5.1
69.66837	2.2
71.04980	3.1
71.08630	1.4
79.05502	29.1
81.06593	2.8
81.07063	57.3
82.07380	1.2
83.08624	13.2
85.06525	4.2
91.05479	19.0
91.08814	1.5
93.06483	2.2
93.07047	34.8
95.04955	2.3
95.08613	41.1
97.06526	2.7
97.10175	14.3
98.21450	2.7
105.07049	17.5
107.08591	24.1
109.06490	3.0
109.10167	57.6
111.08060	5.2
115.05526	1.2
117.06986	8.0
119.08594	16.5
121.10139	17.3
123.08122	2.1
123.11742	8.2
125.08819	1.7
125.09622	8.9
129.07011	2.0
131.08575	14.5
133.10147	13.8
135.08072	2.5
135.11699	10.8
137.09624	2.9
137.13255	2.7
139.11208	1.5
141.13115	1.3
143.08551	3.6
145.10117	10.9
147.11639	7.8
149.09567	1.7
149.13271	8.1
151.14835	1.3
155.10657	5.6
157.10144	3.9
159.11696	10.6
161.13280	4.9
163.14827	3.9
171.10298	1.6
171.11681	2.6
173.11728	11.2
173.13248	8.2
175.14758	3.5
185.13350	3.2
187.14847	5.6
189.11263	9.6
201.16400	1.9
227.12787	10.5
229.14366	33.3
231.15825	2.5
243.21075	3.6
259.20575	2.5
261.22174	25.2
279.23218	2.1
308.50473	1.3
317.24783	4.6
335.25778	23.9
370.92944	1.5
379.29819	2.2
397.31131	6.6
415.32309	8.1
419.15668	1.5
433.33322	8.1
456.83060	1.5
456.90723	1.3
471.34634	3.1
489.35727	33.9
507.36798	27.0
508.37186	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01879	2.7
55.05515	25.7
57.03434	6.9
57.07079	9.1
59.05000	4.7
65.03934	1.9
67.05510	100.0
67.69099	1.6
69.07074	17.2
71.04993	5.2
71.08631	6.1
74.80671	1.4
79.05502	29.8
81.07066	61.3
83.08625	14.1
85.06535	2.7
85.10184	4.3
89.06041	3.3
91.05490	20.2
93.07058	33.5
95.04977	3.5
95.08612	42.3
97.06533	2.5
97.10178	16.0
105.07030	16.7
107.08603	22.1
109.10170	56.6
111.08099	5.6
112.12090	2.1
117.07039	4.4
119.08592	16.5
121.10144	17.4
123.11698	9.4
124.10798	1.7
125.09650	12.4
129.07053	3.5
131.08575	11.4
133.10168	12.2
135.08075	2.7
135.11716	17.0
137.13229	3.9
143.08669	3.2
145.10130	11.3
147.11700	8.7
149.13307	8.2
155.10693	3.7
157.10182	2.4
159.11699	9.0
161.13278	5.4
163.14851	5.5
164.55342	1.6
171.10211	2.0
171.11682	3.2
173.11757	11.4
173.13324	4.2
175.14848	3.4
178.32668	1.7
185.13341	2.4
187.14777	2.5
189.11246	10.2
195.00291	21.2
227.12781	7.6
229.14355	29.8
243.21037	5.0
259.20657	4.2
261.22168	30.1
263.23444	2.6
279.23181	2.5
313.27380	5.1
317.24844	3.8
335.25858	21.8
379.29932	3.7
397.30890	7.0
415.32047	6.0
433.33252	5.1
471.34607	2.9
489.35776	31.0
507.27045	3.9
507.36871	30.9
527.16833	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3683
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03924	3.0
55.01868	3.2
55.05508	25.6
56.61014	2.2
57.03444	9.1
57.07072	5.6
59.04995	2.3
61.99429	1.9
65.03936	4.2
67.05503	100.0
69.03435	3.6
69.07066	18.5
69.85898	1.7
71.04958	2.4
71.51765	3.2
79.05487	35.9
81.07053	64.8
81.07536	3.8
83.08623	14.7
85.06542	3.7
87.07601	1.6
91.05476	22.2
93.07046	37.0
95.04948	3.5
95.08602	39.5
97.06528	4.4
97.10163	16.8
99.08086	2.3
105.07034	17.6
107.08591	24.0
109.10153	59.2
111.08084	3.4
111.38805	2.0
117.07011	8.8
119.08588	17.4
121.06425	1.8
121.10145	20.6
123.11716	8.5
125.09618	10.0
129.06969	2.7
131.08568	16.0
133.10156	12.6
135.11684	14.4
137.13240	3.3
143.08629	3.1
145.10143	11.6
147.11716	10.2
149.13249	7.6
155.10617	2.9
157.10045	3.3
159.11703	8.3
161.13277	4.7
163.14830	4.9
169.10016	2.0
171.11754	3.4
173.11716	12.4
173.13269	7.4
175.14841	2.5
185.13219	3.1
187.14825	4.4
189.11253	10.4
227.12766	9.5
229.14331	31.4
243.21069	4.9
254.38362	2.0
261.22137	29.2
263.23706	3.1
277.21445	2.1
317.24625	3.7
335.25784	20.4
353.40521	2.1
379.30185	3.6
397.30850	4.6
415.31937	7.0
433.32794	6.1
471.34518	5.6
489.35730	32.2
507.36508	29.7
508.37097	2.2
522.95160	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.7
55.01873	6.5
55.05517	41.8
57.03443	31.5
57.07077	6.4
59.04976	4.3
61.02918	12.3
67.05509	55.3
68.27461	3.0
69.03084	4.9
69.03433	62.6
69.07077	50.5
69.77612	17.3
71.05017	16.1
72.08135	3.4
73.02917	10.9
79.05498	24.7
81.03035	2.8
81.03424	25.3
81.07066	79.3
83.01373	4.4
83.04966	8.9
83.08620	28.8
85.02911	100.0
85.06532	8.8
86.09692	3.9
87.04469	9.1
91.03949	5.0
91.05481	24.8
93.07045	39.3
95.04978	14.5
95.08614	81.2
97.02904	36.9
97.06522	16.1
97.10167	28.1
98.21542	2.8
99.00822	6.9
99.04485	18.6
99.08075	8.2
101.02357	3.4
103.03948	4.7
105.03434	3.1
105.07044	30.9
107.04954	5.3
107.08591	30.3
109.02890	18.7
109.06525	8.8
109.10166	44.1
111.08089	8.3
111.11710	15.5
115.07589	19.2
119.04945	3.3
119.08589	18.1
120.08089	4.3
121.02901	7.3
121.06483	7.3
121.10164	38.2
123.08070	6.8
123.11698	12.9
125.06030	4.2
125.09631	5.8
125.13272	5.4
127.03928	23.3
129.05469	3.5
131.08569	8.1
133.06566	3.5
133.10132	21.8
135.08054	7.3
135.11713	27.9
137.06033	14.6
137.09618	13.5
137.13203	6.9
139.03903	5.9
139.11183	6.0
143.08575	5.0
145.04951	10.7
145.10114	7.1
147.04414	4.0
147.11665	14.8
149.09563	4.8
149.13261	8.0
151.07544	11.2
151.11188	5.8
151.14867	5.0
151.33780	3.2
153.01852	12.0
153.05487	4.4
153.12764	6.0
155.10710	9.4
159.08028	3.2
159.11707	9.4
161.06035	3.5
161.13226	9.8
163.07544	5.2
163.11188	4.3
165.09055	5.4
165.12729	6.8
167.07030	4.6
173.13110	4.2
175.07558	4.9
175.14821	7.4
177.05476	5.4
179.10646	4.3
179.14337	5.3
181.04959	11.0
182.70869	2.8
183.04988	3.2
183.06564	9.5
189.09125	11.5
191.07097	4.6
195.06509	36.7
201.07608	5.4
205.08493	3.3
209.08096	14.2
217.19550	27.2
223.09708	27.7
235.09724	5.0
235.20578	38.7
237.11270	19.9
249.11423	6.8
253.14178	3.2
253.21674	16.7
271.22986	3.9
291.23190	5.7
307.62070	3.5
309.24225	11.3
317.17566	29.1
327.25330	82.0
333.20502	4.7
335.18561	25.6
341.96567	3.2
345.26352	42.3
357.20615	10.1
373.23831	16.0
375.21393	8.3
393.22684	30.8
415.24664	11.0
418.12665	3.2
453.26407	22.2
471.27390	21.2
489.28595	10.7
507.30655	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	507.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.0
55.01862	8.5
55.05515	37.5
55.56540	2.7
57.03446	27.0
57.07064	6.4
61.02919	12.6
65.03919	3.6
67.05189	3.2
67.05510	55.4
69.03091	3.6
69.03436	62.7
69.06738	5.2
69.07073	57.0
70.79313	8.4
71.01334	4.3
71.04979	12.9
73.02923	12.0
74.59808	2.5
75.04478	4.1
76.59048	2.8
79.05489	31.6
81.03419	28.4
81.06587	5.3
81.07057	84.3
83.04991	7.1
83.08619	34.1
85.02911	100.0
85.06540	7.7
86.09708	3.7
87.04449	9.0
91.03961	5.1
91.05484	23.5
93.07047	37.1
95.04960	12.3
95.08613	71.8
97.02898	50.0
97.06529	21.7
97.10178	29.3
99.04459	15.7
99.08071	6.5
101.02365	4.5
101.23518	3.3
103.03931	4.8
105.07031	27.2
107.04985	3.1
107.08610	30.4
109.02899	24.5
109.06512	9.0
109.10168	39.7
111.08066	8.1
111.11731	15.3
113.09701	2.9
115.03905	3.6
115.05360	2.7
115.07589	19.4
117.05559	3.5
117.07053	3.8
119.04949	3.1
119.08612	16.6
121.02855	8.4
121.06501	7.7
121.10143	39.7
123.04443	3.9
123.08070	8.6
123.11733	13.0
125.05971	3.2
125.09614	9.3
125.13253	4.5
127.03919	31.1
129.05519	4.2
131.08565	6.1
133.06462	3.4
133.10139	18.5
135.08047	7.0
135.11693	31.0
137.05960	14.4
137.09619	6.3
137.13264	6.1
139.03893	4.2
139.11177	10.1
145.04979	13.2
145.10133	5.4
147.04424	4.7
147.11681	13.8
149.06021	4.5
149.09595	5.8
149.13264	8.9
151.07553	5.2
151.11089	3.8
151.14856	4.7
153.01819	10.8
153.05479	5.6
153.12779	6.2
155.07043	3.8
155.10628	7.6
159.11720	4.6
161.05994	5.6
161.09607	4.1
161.13261	11.9
163.07518	5.6
165.09041	4.7
165.12738	9.2
167.07001	5.0
171.11682	3.5
173.13307	5.2
175.07623	4.3
175.14822	7.8
177.05446	5.5
177.09131	3.9
179.14325	5.2
181.05006	14.0
183.06520	6.6
189.09138	7.6
189.16423	2.7
191.07086	2.9
193.19592	4.6
195.06538	34.1
201.07542	5.3
203.10658	4.0
205.12256	3.3
205.63350	2.8
207.06668	3.1
209.08089	18.1
217.19516	28.9
221.08107	4.9
223.09650	24.2
235.20589	30.8
237.11217	11.1
249.11269	4.0
253.21622	16.0
260.92545	2.7
278.85672	2.8
291.23141	6.4
309.24173	11.6
317.17484	19.2
327.08447	3.7
327.15643	2.9
327.25357	82.9
329.10370	3.5
335.18546	16.9
345.26376	41.6
357.20523	6.7
373.23685	7.5
375.21869	5.4
393.22711	27.4
415.24802	9.0
453.26447	14.6
471.16843	2.8
471.27460	12.7
489.28226	11.2
507.30676	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	507.114
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
51.02379	0.5
53.03970	0.6
54.50653	0.3
59.05011	1.2
67.01884	1.0
67.05527	0.3
68.99808	0.6
69.03435	2.0
70.06609	0.9
70.71423	0.3
71.05009	0.5
71.51013	0.6
72.08167	1.1
72.94694	0.3
79.01865	2.3
79.05514	0.6
81.03414	4.5
81.03783	0.4
81.07079	0.9
81.50961	0.3
84.08158	0.6
85.02913	2.5
86.09734	0.8
91.05488	0.7
93.07052	0.6
95.04997	0.4
95.08622	0.6
97.02892	3.2
98.06088	0.4
99.04478	0.8
105.07045	0.5
107.01334	0.7
107.08615	0.7
109.02902	2.7
109.06567	0.5
111.00684	0.4
119.05010	0.4
121.06522	1.5
121.10239	0.4
124.22537	0.4
125.02338	2.3
125.06016	0.7
127.03928	3.2
130.49622	0.4
135.08032	0.4
137.06007	1.0
143.03397	2.5
145.04973	0.6
147.04413	1.2
151.03911	0.8
153.01846	48.6
153.02925	2.9
154.02184	0.7
169.04991	0.4
171.02895	6.2
175.03841	0.4
193.04984	100.0
194.05234	1.4
205.05060	0.4
207.06662	0.5
235.06064	0.8
247.23679	0.4
297.06082	4.3
301.06815	0.4
315.07019	1.4
345.05960	1.2
345.13724	0.4
435.00696	0.4
449.44736	0.4
450.40744	0.4
499.06772	0.4
507.18332	0.7
507.32156	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1502
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
55.05511	0.6
56.05018	0.4
57.03422	0.5
61.02914	0.3
67.05489	0.9
69.03418	0.9
69.07051	0.9
69.68323	1.6
75.53787	0.2
79.05478	0.7
81.03417	0.5
81.07067	1.7
83.08607	0.4
84.29972	0.2
85.02909	1.3
85.06526	0.4
86.09704	0.3
91.05489	1.6
93.07050	1.2
95.04948	0.5
95.08618	1.4
97.02876	0.4
97.06525	0.4
97.10179	0.3
103.05482	0.2
105.07036	0.7
107.05000	0.3
107.08602	0.9
109.02882	0.4
109.10133	0.8
119.08570	0.7
120.08118	0.3
121.02876	0.7
121.06505	0.7
121.10162	0.7
123.11702	0.5
125.09663	0.3
127.03932	0.5
131.08499	0.4
133.10100	0.8
135.04428	0.2
135.08058	0.4
135.11710	0.6
137.05963	0.9
139.03876	0.4
139.11191	0.3
143.08571	0.5
145.10095	0.4
147.08023	0.3
147.11713	0.4
149.13289	0.3
151.07570	0.7
153.01784	1.3
157.10292	0.3
159.11662	0.4
161.06044	0.4
161.09589	0.3
163.07523	0.3
167.07086	0.3
171.11702	0.4
175.07460	0.3
189.52890	0.3
227.22200	0.3
229.04971	0.7
230.05553	0.3
241.16022	0.3
242.05615	0.3
250.45572	0.3
253.04929	0.8
254.05737	0.4
255.06528	10.4
256.07312	4.9
256.21884	0.3
258.05283	0.5
269.04425	0.3
271.06027	0.6
275.52780	0.3
283.05853	1.6
284.06833	6.8
286.04633	0.4
287.05511	2.6
299.05530	15.9
300.06079	0.4
301.03445	0.8
301.07092	2.5
311.05524	3.8
312.06299	1.3
313.03439	1.0
313.06781	0.3
315.04999	13.8
316.05817	0.4
327.25299	0.6
329.02774	0.5
329.06592	7.9
330.07321	1.0
345.09705	100.0
346.10114	1.8
507.15402	0.6
507.31326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.2
55.05501	15.1
57.07048	6.6
67.05494	22.7
68.05031	7.4
69.03444	8.4
69.07059	11.1
70.06217	6.1
70.06593	100.0
71.51177	4.8
71.51586	7.1
78.39696	4.6
79.05495	29.3
80.05016	9.0
81.07060	39.8
82.06579	10.1
83.04974	6.5
83.08617	9.5
84.08162	24.4
84.90472	4.6
91.05485	42.1
93.07055	45.8
95.04993	6.1
95.08607	19.7
96.08128	14.8
97.06569	6.2
98.06069	5.8
100.07634	35.6
103.05479	7.0
105.07049	89.5
106.06577	12.2
107.08613	34.6
109.06499	14.8
109.10155	16.3
114.05525	23.3
117.07027	15.9
119.08587	67.0
120.08132	10.9
121.06523	65.3
121.10165	24.1
121.53542	5.4
123.08072	9.4
125.09650	8.9
128.06195	13.2
128.07079	74.5
129.07016	21.4
130.07771	7.5
130.08643	8.8
131.08611	30.0
132.08067	5.5
133.10110	27.7
134.09671	11.3
135.08121	6.8
135.11662	11.7
136.11217	9.4
137.09618	10.1
140.36528	5.6
141.06998	8.3
142.07753	24.3
143.08554	39.6
144.09262	6.0
145.10138	52.0
146.09634	6.2
147.11673	15.3
148.11234	24.0
154.08661	33.7
155.08545	16.0
156.09366	17.5
157.10156	51.4
158.09576	7.2
159.11694	15.6
160.11203	23.4
161.09625	6.3
162.12782	8.3
163.11206	9.4
165.09142	23.2
167.08575	10.2
168.10367	7.9
169.10120	26.2
171.11732	28.3
172.11214	7.1
173.13297	8.0
174.12822	5.6
175.14839	8.0
178.08652	5.8
181.10098	8.4
181.12300	6.5
183.11719	24.6
185.13292	12.9
186.12726	5.8
193.10162	6.4
194.11844	45.5
195.11850	6.3
197.13214	8.1
199.14784	4.9
203.14340	9.2
207.11595	6.1
209.13269	14.2
211.14900	8.0
220.13319	16.2
221.13309	10.1
221.15359	43.7
223.14809	10.1
232.13354	6.9
234.60333	5.5
235.14865	6.8
237.16402	5.7
254.19011	10.6
269.57648	5.2
272.16470	10.2
294.48041	5.8
298.18143	7.9
382.09787	9.0
414.26434	21.7
444.32932	6.7
462.33551	38.0
506.22046	30.0
506.32758	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
69.03420	3.4
70.06577	3.7
70.11237	2.8
70.11604	2.3
71.64733	1.2
72.08147	3.2
80.08786	1.1
84.08138	1.1
85.02917	7.6
87.04475	3.0
89.06036	100.0
91.05480	6.6
93.07034	4.8
97.02878	3.1
103.05463	3.5
107.04950	2.7
107.08616	1.5
109.02887	1.6
118.06543	1.8
119.04916	2.3
119.07314	8.4
119.08558	1.4
120.08138	1.7
121.05673	1.9
121.06516	32.1
122.06789	1.3
127.03944	1.4
131.06941	1.7
133.08612	65.6
134.05981	3.0
135.06834	2.0
136.07581	4.3
139.03835	1.3
146.06017	2.1
147.04385	1.4
149.96338	1.3
153.01822	6.2
163.07588	2.7
165.05421	1.6
177.05431	2.9
177.11232	23.0
188.14284	1.2
195.12331	1.6
205.08556	2.7
206.15405	3.0
221.13875	5.0
239.14922	3.7
254.11708	1.9
269.12897	3.0
283.17328	3.2
315.13324	9.3
326.21121	14.7
327.20160	85.4
344.15222	1.8
344.22238	2.3
392.36652	1.2
478.19702	1.6
506.27634	26.6
507.27936	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15474	2.6
53.03944	7.4
55.01886	4.2
55.05508	12.9
55.44550	2.7
57.07069	3.4
65.03945	3.9
65.82032	2.7
67.05501	22.6
68.05023	15.4
69.03426	9.4
69.07059	14.2
70.06590	74.9
70.67896	5.5
70.68235	6.0
72.08437	2.8
79.05488	29.3
80.05024	8.4
81.07062	33.7
82.06582	9.1
83.04978	11.3
83.08611	9.5
84.08156	8.6
85.02903	3.6
85.06548	3.6
87.04460	3.0
91.05483	34.7
93.07049	40.0
95.04976	15.0
95.08596	17.1
96.08133	15.2
97.06543	5.6
100.07619	49.5
103.05489	5.4
105.07038	80.3
106.06533	9.0
107.04934	4.0
107.07355	3.9
107.08588	37.7
108.08100	12.5
108.08791	3.2
109.06516	6.6
109.10136	14.8
111.54904	2.9
114.05538	22.1
115.05430	5.2
116.06305	4.9
116.07069	15.0
117.07038	15.8
119.08572	41.0
120.08145	18.4
121.06490	20.5
121.10140	31.5
123.11717	3.3
125.09605	4.8
128.06218	11.9
128.07071	73.6
129.06999	21.5
130.07803	5.6
131.04984	3.3
131.08578	29.1
132.04594	3.1
132.08090	4.3
133.10138	19.6
134.09637	16.7
135.08044	5.2
136.11220	8.4
141.06976	10.8
142.07744	22.0
142.08725	5.6
143.08566	44.1
144.09352	11.6
145.10132	47.4
146.09627	6.5
147.11673	7.4
148.11200	25.1
149.09589	17.6
153.07007	4.4
154.08691	30.0
155.08537	18.7
156.09329	19.8
157.10121	50.3
158.10928	6.0
159.08040	14.3
159.11693	20.5
160.11247	12.4
161.09642	5.5
162.12827	5.7
165.06961	7.1
167.08565	14.3
167.10666	15.2
168.10347	6.0
169.10114	24.7
170.10927	6.2
171.11690	16.9
172.11212	6.5
172.12544	3.9
173.13292	6.7
174.12778	7.5
178.08630	10.6
179.08630	10.4
181.04982	3.4
181.08743	3.5
181.10002	18.0
182.10803	5.2
183.11707	26.9
185.09718	3.4
185.13280	9.8
189.12715	5.6
191.14409	4.4
193.10188	13.3
194.11879	31.2
195.06531	4.3
195.08118	3.6
195.11740	17.9
197.13266	13.9
199.14934	6.5
205.10246	4.8
206.10889	4.9
207.11757	19.5
208.12437	7.9
209.13301	21.8
211.14902	6.3
212.14319	5.5
215.14293	4.4
217.10170	3.5
218.11638	6.9
219.11902	6.8
220.13301	10.2
221.13295	14.6
223.09747	4.7
223.14865	13.2
225.12601	3.9
225.16376	4.2
226.15944	3.2
230.11481	3.4
231.11703	5.0
232.13043	4.1
233.13277	12.5
233.15401	52.1
235.14873	7.2
241.16037	3.3
243.11795	5.7
246.14154	3.7
247.14917	9.9
248.15622	3.3
249.16389	5.6
256.13135	4.1
258.14438	3.8
259.14923	4.0
260.16031	3.2
261.16376	4.5
263.18082	6.4
265.19504	5.9
271.15433	5.9
272.16357	5.5
273.16248	7.2
281.19156	3.2
283.20621	4.6
284.16373	8.6
287.17950	5.0
295.20560	4.1
299.17624	4.7
307.20667	4.1
329.22867	4.3
330.21121	4.4
347.23834	4.3
352.26230	5.4
357.25772	4.1
366.85577	3.2
373.25650	3.6
375.26910	4.2
381.28574	3.1
396.25534	25.8
414.26355	44.1
438.96332	3.2
448.47040	3.8
462.33951	3.7
463.36197	3.2
470.30432	10.4
488.31946	88.0
506.32828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01856	1.9
55.04334	0.9
55.05515	12.2
57.03440	9.3
57.07067	2.0
59.04993	3.3
62.83364	1.0
65.03928	2.9
67.05505	100.0
69.07077	7.9
70.02448	3.8
71.04985	3.1
73.53117	0.9
79.05068	2.0
79.05491	23.8
81.06592	1.6
81.07055	30.7
83.04980	1.0
83.08606	8.9
85.06533	2.9
85.84635	1.0
91.05480	31.7
91.50528	1.0
93.06480	2.1
93.07044	28.1
95.04958	2.9
95.08607	21.3
97.06516	1.8
97.10149	3.4
98.21414	1.6
100.01660	1.0
103.05447	1.1
105.07035	30.6
107.08588	18.1
109.06561	1.2
109.10158	68.3
111.08061	3.2
117.07027	5.3
119.08586	32.3
121.10146	12.0
123.08061	1.5
123.11656	1.5
125.09635	2.8
128.06245	1.1
129.06998	4.7
131.08575	10.5
133.10144	20.3
135.11694	10.8
137.09601	3.1
139.87592	1.2
143.08543	4.8
145.10120	10.6
147.11688	23.8
149.09592	1.8
149.13248	5.3
155.10657	4.6
157.10155	5.5
159.11720	9.8
161.13252	18.1
163.11197	1.0
163.14850	1.6
171.11684	8.2
173.11716	21.6
173.13283	7.1
174.86964	1.1
175.14841	8.9
177.12758	1.3
179.14230	1.2
185.13278	5.9
187.14793	1.7
189.11200	1.7
199.14845	4.5
200.15419	1.2
201.16385	1.5
213.16383	2.0
227.12715	5.2
229.14339	42.7
231.21019	5.5
241.19479	18.6
243.21141	1.5
259.20587	49.1
261.22070	2.0
268.42896	1.3
277.21622	2.3
315.23138	4.6
333.20413	2.1
333.24216	26.1
333.28113	1.3
413.30164	1.8
487.34174	10.3
505.35114	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70162	1.1
53.03948	7.3
55.01882	2.2
55.05264	2.5
55.05516	25.9
57.03441	6.5
57.07080	47.2
59.05000	4.2
59.65179	1.2
60.42544	1.1
65.03947	3.6
67.05510	100.0
69.03458	2.1
69.07072	17.9
69.96801	1.1
71.05003	3.3
71.08637	30.3
71.51472	1.4
78.50937	1.2
79.05497	32.5
81.03425	98.9
81.07061	55.8
83.04999	4.4
83.08627	34.4
85.06557	2.8
85.10187	17.5
88.32078	1.3
91.04911	1.8
91.05488	41.1
93.07052	33.9
95.04974	25.9
95.08616	42.4
96.61532	1.2
97.02905	1.2
97.06573	3.0
97.10175	11.0
98.30243	1.3
99.08110	3.3
103.05499	2.1
105.04556	1.5
105.07041	30.2
105.07688	2.1
107.05003	5.0
107.08604	19.8
107.52472	1.3
109.02898	1.4
109.06547	4.2
109.10164	52.7
111.08085	10.9
111.11784	1.6
115.05486	1.8
117.07059	6.7
119.08588	33.2
121.06486	2.0
121.10150	14.1
123.11713	7.6
125.09673	3.5
129.07001	13.0
131.08580	17.1
133.06569	4.3
133.10147	18.1
133.11096	1.5
135.08151	1.4
135.11699	8.8
137.09673	4.0
137.13283	2.8
142.07846	3.7
143.08627	5.3
145.10153	7.8
147.08075	3.9
147.11699	24.5
149.09692	4.4
149.13313	5.3
151.11238	2.8
151.14903	1.6
155.10710	4.3
157.10162	11.5
159.11728	7.2
161.13303	10.7
163.11227	1.3
166.07770	1.3
171.11737	6.6
173.11830	10.0
173.13376	4.4
175.11220	12.5
175.14912	5.2
177.12775	1.7
179.14319	6.4
185.13373	3.8
187.14992	1.4
189.11215	2.1
189.12930	2.0
193.12260	65.7
199.14920	2.7
203.14291	1.3
211.13271	1.2
213.16356	1.2
217.19737	1.5
221.22752	1.4
227.12946	4.5
229.14378	25.7
229.16513	1.7
231.21219	3.4
239.23735	8.4
241.19594	10.9
249.14865	6.0
259.20593	27.8
261.22266	1.6
269.11078	1.2
277.21716	6.6
289.21432	1.4
315.23257	2.1
333.24323	12.7
409.23773	1.3
413.30527	1.5
435.93698	1.3
487.34848	4.9
505.39166	94.1
506.39706	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.05510	15.8
57.03444	8.9
57.07077	1.8
59.04988	3.6
62.52916	0.9
65.03935	3.5
66.99643	1.0
67.05508	100.0
69.07070	8.2
70.16763	2.6
71.04990	3.9
77.03922	1.1
77.79231	0.9
79.05492	26.6
81.07058	36.9
83.04957	1.3
83.08623	8.7
85.06533	4.0
91.05483	38.0
93.06479	2.1
93.07047	29.2
95.04958	3.3
95.08610	20.1
97.06535	1.7
97.10155	3.0
99.08084	1.8
102.55652	0.9
105.07039	33.1
107.08594	19.1
109.06499	1.9
109.10162	66.8
111.08072	3.3
117.07011	9.4
119.08582	35.9
121.06478	1.4
121.10158	11.9
123.08067	1.3
123.11692	1.4
125.09644	5.1
127.11140	1.4
129.06995	5.8
131.08569	14.8
133.10127	25.2
135.08073	1.7
135.11696	11.6
137.09618	2.9
142.07835	1.2
143.08563	4.3
145.10149	11.3
147.11697	28.3
147.13463	1.3
149.09605	2.7
149.13289	7.4
155.08490	1.3
155.10657	5.6
157.08913	0.9
157.10080	5.5
159.11702	12.1
161.13271	21.3
163.11166	1.4
163.14803	2.7
169.10208	1.3
171.11732	7.3
173.11743	19.4
173.13269	6.8
175.14830	8.8
177.12723	1.0
185.13275	7.3
187.14819	3.0
189.11185	2.4
189.12782	1.5
191.14398	1.0
199.14885	4.6
201.16432	1.3
213.16322	1.7
227.12772	4.0
229.14371	48.3
231.21031	5.6
239.44438	1.1
241.19537	19.2
256.46286	1.0
259.20578	52.4
260.20950	2.0
261.22205	3.2
274.08981	1.0
277.21555	1.5
278.79660	1.0
315.23224	3.6
333.24255	23.5
351.25308	1.2
395.29391	1.7
413.30402	2.1
487.34152	10.3
505.35315	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	505.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.8
55.01879	7.6
55.05502	19.5
56.07010	5.7
57.03443	8.7
57.07059	9.2
58.84177	6.1
59.04992	6.3
67.05512	37.0
69.03422	16.7
69.07072	91.4
70.06583	10.2
71.04990	13.4
71.50712	6.0
72.08164	7.5
79.05493	25.0
81.03420	12.7
81.07066	100.0
83.04961	17.0
83.08582	6.5
84.08130	6.4
85.02901	22.3
85.06544	27.7
86.09724	10.9
86.14137	5.8
91.05480	23.9
93.07065	37.5
95.04976	22.7
95.08613	54.3
97.06592	10.8
97.10168	10.9
99.08097	8.1
101.32455	6.1
102.61669	5.4
105.07021	36.3
107.04961	9.1
107.08607	39.0
109.02902	8.9
109.06525	16.3
109.10161	43.5
111.04498	6.9
111.08090	11.4
111.11691	15.6
116.13209	5.4
117.07010	7.4
119.08574	22.1
121.06516	16.6
121.10143	22.4
123.08117	8.5
123.11732	28.9
124.29942	6.3
125.05919	7.0
125.09654	15.3
127.03932	7.2
127.67835	5.7
131.04942	8.5
131.08611	7.6
133.10098	29.1
135.08078	14.6
135.11688	25.5
137.05974	28.7
137.09596	20.0
137.13304	6.3
139.03912	13.7
139.07588	6.3
139.11183	23.3
143.08632	5.9
145.10115	11.0
147.04370	9.1
147.08141	8.0
147.11678	10.0
149.09621	11.1
149.13237	18.5
151.03926	12.9
151.07536	11.9
151.11163	6.4
153.01842	36.9
157.12315	8.8
159.11682	7.3
161.09596	9.9
161.13286	7.6
163.14874	7.0
165.09126	10.5
165.12701	7.4
167.07109	10.2
173.13203	8.6
175.11194	7.2
177.09120	6.4
181.04991	13.9
191.14430	6.1
230.35779	6.1
249.66624	6.5
266.18820	6.4
279.08939	9.1
289.25348	7.7
298.27130	6.7
307.26324	27.3
315.14188	5.7
325.27359	17.4
335.12631	5.5
335.92389	6.1
393.48553	6.6
505.18307	10.3
532.95947	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.28
Annotation	Daturolactone 6
Peak:m/z	Relative Intensity
53.03953	1.2
54.02720	1.1
55.01870	2.1
55.05513	6.3
60.51615	1.1
67.05505	9.0
69.03432	19.7
69.07074	5.0
70.10648	2.5
70.11066	3.2
71.04993	2.3
79.05486	7.1
81.07056	19.3
82.30907	1.0
83.01337	3.1
83.08614	2.5
85.02900	3.2
87.04481	6.3
91.05503	5.3
93.07049	13.2
95.01308	1.3
95.04959	3.6
95.08614	12.8
96.16291	1.3
97.06533	1.6
97.10175	1.4
99.00842	10.7
99.04451	6.1
105.07050	9.0
107.05003	1.1
107.08594	7.0
109.02893	1.2
109.06535	3.2
109.10158	14.7
111.08084	2.2
113.02335	3.1
113.06010	7.9
115.03947	3.2
117.01804	1.2
117.07057	2.2
119.04924	1.7
119.08578	4.0
121.06506	3.4
121.10162	13.4
123.04445	3.1
123.08076	1.3
123.11746	2.4
125.06001	2.0
127.03936	1.4
131.08559	3.8
133.06505	2.2
133.10153	3.6
135.04454	1.4
135.08047	4.1
135.11684	4.6
137.05963	3.7
137.09650	2.5
137.13203	1.5
139.07544	15.6
143.08540	2.2
145.10136	4.3
147.04433	4.7
147.08058	3.0
147.11752	2.5
149.02368	1.4
149.06010	1.8
149.09612	2.9
151.07590	6.2
153.01881	2.4
153.05487	4.6
153.09215	1.3
155.07042	4.0
157.10123	2.1
159.11670	4.3
161.05997	1.2
161.09688	1.4
163.03954	2.5
163.07579	3.9
165.09137	5.2
167.07043	1.4
169.04990	1.2
171.08102	1.7
173.13226	1.5
175.07538	4.0
175.11234	2.3
177.05501	5.4
177.09175	3.4
179.10693	3.3
181.04973	16.4
183.06593	9.3
185.13226	1.3
187.11189	1.8
187.14835	1.9
189.09129	11.9
191.07014	2.4
191.10742	1.5
195.06541	47.7
201.16408	1.1
203.10759	2.1
205.08673	3.0
205.12253	1.7
207.06506	2.2
209.08076	12.8
211.14859	1.4
215.14250	1.4
221.08134	3.7
223.09656	47.3
231.13889	1.4
233.15361	1.4
235.09673	3.9
237.11234	14.7
247.09694	1.3
249.11206	8.3
257.15298	1.5
261.11194	2.5
263.12778	3.4
273.04193	1.1
275.12772	1.8
277.14328	1.7
289.14362	2.0
301.14301	1.1
303.15927	1.8
305.17502	1.4
310.04709	1.2
313.21732	1.3
317.17487	19.9
328.39600	1.3
331.19135	4.2
333.20825	1.9
343.08084	6.1
351.14578	2.3
355.19086	2.7
357.20645	36.8
373.23904	3.1
375.21628	8.0
393.22571	1.9
407.25607	1.6
423.25134	1.5
425.26883	1.3
451.24655	9.6
469.25882	22.8
487.26947	100.0
488.27441	2.9
505.28079	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	505.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
54.23064	1.3
55.05497	6.5
57.03456	8.2
59.42501	1.5
62.34529	1.4
65.71281	1.6
67.05167	2.5
67.05506	22.5
69.03403	2.0
69.07060	8.4
69.76649	5.4
72.46559	1.4
73.02933	1.9
76.23423	1.4
76.41887	1.4
79.05497	20.2
81.07067	23.4
83.04963	2.3
83.08609	3.6
84.88834	1.6
85.06543	2.7
90.60149	1.3
91.05479	25.9
93.07046	28.5
95.04944	1.9
95.08606	18.8
97.06530	1.8
98.98471	68.6
99.04374	1.6
103.03936	1.9
105.07041	25.9
107.08599	15.1
109.10168	7.9
111.08076	1.9
117.07030	8.1
119.07817	2.4
119.08592	34.0
121.10145	11.3
123.08031	2.5
123.11671	1.7
129.01303	1.5
129.05469	4.8
129.06999	5.5
131.08586	16.4
133.10136	25.5
135.11732	10.4
143.08588	5.6
145.10126	16.8
147.11687	19.6
149.13257	5.8
155.01054	11.6
157.10165	9.0
159.11711	14.4
161.13287	17.2
163.11189	1.7
163.14806	5.0
171.11714	9.8
173.02135	11.7
173.13304	11.3
175.11156	2.0
175.14845	14.6
185.13237	9.0
187.14838	3.1
189.12666	3.2
199.14850	5.3
203.91722	1.5
213.16371	1.6
215.17923	5.0
217.19484	5.0
229.04703	3.6
231.21083	3.0
241.19511	40.2
243.21199	2.5
247.05717	7.9
250.03923	1.8
259.20590	32.4
275.20087	2.0
279.58270	1.7
297.22046	2.1
315.23114	9.1
333.24237	100.0
334.24591	3.7
413.20804	3.4
469.24066	2.5
487.24445	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81276	0.4
51.02373	1.0
53.03944	1.3
55.01852	1.2
55.05511	2.1
57.03385	0.4
57.07072	0.5
59.04984	0.5
65.03917	0.6
67.05217	0.4
67.05508	4.2
69.03432	5.7
69.07061	2.0
69.98914	1.5
71.04992	0.7
79.01865	3.6
79.05083	0.5
79.05500	7.0
81.03423	2.5
81.07063	7.7
83.04979	2.9
85.02877	1.7
85.06551	0.8
86.09665	0.6
91.05484	9.6
93.07052	5.5
95.04969	2.7
95.08614	2.4
97.02893	1.3
97.06535	1.1
99.04497	0.4
103.24458	0.4
105.06307	0.6
105.07034	11.1
107.01312	0.8
107.04961	5.3
107.08602	22.9
109.02878	1.6
109.06544	2.9
109.10155	8.7
111.08080	0.7
115.05453	3.1
117.07027	2.9
118.15559	0.4
119.06087	0.7
119.08591	5.4
121.02926	0.6
121.06509	3.1
121.10148	13.9
122.07299	7.6
123.08061	1.8
125.02361	1.5
127.03905	2.3
129.07013	0.5
131.08572	3.2
133.10139	100.0
134.10452	1.3
135.04420	0.7
135.08061	11.1
135.11705	1.8
137.06029	2.0
137.09624	61.9
138.09981	0.4
139.03952	0.8
139.07466	0.6
143.03406	4.3
143.08527	0.7
145.10159	1.5
147.08083	0.6
147.11691	2.3
149.09633	5.4
149.13257	8.4
151.11209	0.8
153.01840	63.3
153.02934	4.8
157.10052	0.4
158.10901	2.2
159.11671	0.6
161.09662	0.7
161.13260	0.7
163.14813	2.1
165.09148	0.5
167.07120	0.5
171.02890	2.2
171.11719	0.7
173.13272	6.9
175.11189	0.6
177.50015	0.5
185.13310	0.6
189.12866	0.7
191.14314	43.3
201.12738	0.5
203.14276	0.7
231.13924	0.5
255.13884	0.8
273.14886	0.5
297.06122	2.0
315.07187	2.8
335.18649	0.9
353.19778	1.7
487.19806	1.2
505.20483	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.2
57.07078	8.0
60.04519	7.3
63.85095	1.6
66.00231	1.7
66.03413	1.4
67.05507	3.7
69.07077	12.5
71.08630	4.9
71.11901	3.3
79.05478	2.1
81.07053	27.5
83.04987	1.9
83.08628	5.2
85.10183	3.1
91.05467	2.0
93.07027	3.5
95.08599	6.1
97.10167	5.1
107.08537	2.2
108.08157	2.2
109.10185	2.8
111.08105	5.8
111.11752	4.1
120.08092	2.7
121.10184	1.9
123.11557	1.9
136.07588	2.3
137.06007	3.0
138.09142	52.7
139.07555	26.9
149.13249	2.0
150.09138	3.3
151.07550	4.0
154.08635	46.8
164.07072	55.2
164.10648	2.6
166.08684	2.3
167.07040	6.5
175.07570	1.6
177.09181	2.8
178.08705	2.8
178.72903	1.7
180.10219	11.6
182.08142	13.4
192.10153	12.7
196.09647	4.3
198.11252	8.1
226.10652	2.0
307.29874	2.5
416.38535	2.2
426.37155	8.4
427.35770	3.5
444.38400	100.0
445.37616	5.5
486.32623	3.6
486.39420	57.2
487.39597	2.4
504.40308	5.3
505.39188	2.9
529.92847	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.00296	0.4
53.03946	3.4
55.01868	0.7
55.05513	17.2
57.03436	2.1
57.07076	2.9
59.04991	1.2
65.03940	3.5
67.05509	64.4
69.03429	1.0
69.07074	12.3
71.04998	7.3
71.08640	0.7
71.51645	0.7
76.16172	0.4
79.05499	31.8
81.03424	4.4
81.07060	100.0
83.04991	2.2
83.08620	6.3
85.06550	10.9
91.05486	22.6
93.07048	29.6
95.04972	3.4
95.08612	21.7
97.06555	2.2
97.10195	3.5
99.08099	0.7
105.04529	1.2
105.06496	0.4
105.07037	13.7
107.08595	15.7
109.06550	2.3
109.10155	10.9
111.08105	0.8
115.05390	0.6
117.07018	4.2
119.08589	9.9
121.06496	0.6
121.10155	14.2
123.11719	11.7
125.09607	0.6
127.07614	0.7
129.06996	1.4
131.08572	8.1
133.08607	0.8
133.10143	13.9
133.81908	0.5
135.08144	0.5
135.11694	7.8
143.08617	1.3
145.10124	5.2
145.11035	0.6
147.11690	4.7
149.09676	1.1
149.13240	2.8
151.11220	4.4
153.12703	0.6
157.10155	1.4
159.11694	3.1
161.13260	2.9
163.14877	0.9
163.60724	0.5
169.10086	1.1
169.12225	2.9
171.11732	1.2
173.13214	2.4
175.14867	1.4
179.14342	0.9
185.13277	1.5
187.13326	8.3
187.14894	1.6
193.12192	1.1
195.13721	0.5
201.16382	1.0
213.16475	0.8
227.16376	0.8
237.10852	0.5
239.00618	0.5
243.21127	1.0
261.22183	4.3
275.20056	1.2
299.23956	0.6
317.24973	0.7
327.17819	0.5
393.31494	0.9
411.32733	2.5
411.89249	0.6
429.33868	0.9
485.36176	2.1
503.37424	56.6
504.37878	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.1
55.01868	4.3
55.05265	3.8
55.05500	18.7
57.07074	3.8
58.06597	3.8
59.05017	5.5
60.92296	3.8
67.05512	25.2
69.03426	12.5
69.07066	21.9
69.50571	4.0
70.06580	6.2
71.50857	4.3
73.02935	6.0
74.02437	37.3
79.05491	43.0
81.03428	8.4
81.07059	45.9
83.04980	10.9
83.08582	4.3
84.08142	9.2
85.02894	17.4
85.06540	7.7
91.05459	26.8
93.07046	73.9
95.04983	13.7
95.08608	30.0
97.02912	7.2
97.06537	10.3
97.10164	8.8
105.07030	18.8
107.04951	7.8
107.08598	46.1
109.06525	12.4
109.10183	14.0
111.08083	4.9
111.11743	5.0
117.07012	10.9
119.01044	4.2
119.08625	20.0
121.06491	11.0
121.10151	20.3
123.04491	3.9
123.11724	11.2
125.09624	9.6
125.17245	3.6
127.03952	7.3
130.08643	53.1
131.04868	4.3
131.08559	5.2
133.10147	26.2
135.08031	17.6
135.11708	36.7
137.06000	20.3
137.09592	4.5
139.03912	9.5
139.11185	5.6
145.10114	5.5
147.04352	4.8
147.11682	14.0
149.13257	50.1
151.07567	7.2
151.11218	4.4
153.01834	21.4
159.11714	12.1
161.09529	5.5
161.13237	4.9
167.07074	4.3
167.10699	4.3
172.21762	4.3
177.12746	100.0
185.13251	4.7
189.03584	4.3
252.15903	7.2
299.06369	6.3
305.24701	9.1
306.20660	81.5
324.21640	23.6
437.46402	4.8
503.25317	62.4
503.35516	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
65.58807	0.6
71.05876	1.2
72.08162	59.8
77.03942	0.7
78.04688	1.6
79.05503	22.4
81.07052	2.2
86.57424	0.6
89.10800	27.5
91.05475	1.6
94.04215	1.5
94.88924	0.7
95.04969	2.2
105.04523	1.7
106.04249	1.3
107.04965	51.9
109.06519	0.9
117.07025	0.8
121.06525	1.1
122.03658	1.5
123.04433	3.7
124.04391	0.6
124.05229	10.4
125.06019	3.9
137.05997	1.0
145.06500	2.6
149.06010	1.6
151.03888	1.2
152.04703	6.9
155.06023	1.2
167.07051	100.0
172.05200	1.0
173.06030	1.8
200.04684	6.8
201.05438	1.1
207.66597	0.6
228.04155	4.7
231.02892	0.8
231.06581	3.3
246.05205	3.5
261.07602	15.7
262.06363	1.1
302.14169	0.7
340.22281	0.7
397.12906	1.7
415.13925	33.0
416.14209	1.1
486.21161	2.6
503.23907	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	502.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26274	0.9
55.05513	2.3
59.05005	1.2
60.24643	0.9
65.48801	0.9
67.05511	1.4
69.03415	4.4
69.07066	1.9
70.89978	1.2
70.90308	2.1
71.04992	11.7
73.06545	2.0
73.13761	0.9
74.80671	0.9
79.01834	2.4
79.05480	3.9
81.03397	4.2
81.07057	11.9
85.02905	3.9
91.05473	1.8
93.07049	9.1
95.08599	1.2
97.02870	3.0
107.01291	1.8
107.08618	6.4
109.02876	3.8
109.10137	1.9
125.02356	2.1
127.03922	8.2
135.11696	14.1
143.03401	3.2
145.04958	1.3
153.01837	100.0
153.12750	70.6
171.02898	15.7
297.06055	4.4
315.07101	34.3
352.62466	1.0
445.24304	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42638	2.1
55.05517	11.0
57.03439	11.5
57.07085	24.7
59.04997	3.2
65.76073	2.0
67.05507	80.4
69.07057	6.6
71.08637	23.5
71.51546	3.8
75.99743	2.0
81.07058	19.2
83.08615	13.5
85.10188	13.7
93.07048	3.4
95.08608	15.3
106.93927	2.5
107.08572	2.3
109.10166	74.4
111.08094	2.5
118.75187	2.3
119.08614	3.7
137.09604	2.8
149.04430	3.0
155.10704	7.0
160.44229	2.6
167.05594	6.3
173.11749	21.1
204.03333	2.4
229.12108	4.9
229.14378	99.7
239.23685	3.1
250.65959	2.4
299.06061	4.9
313.27380	100.0
411.22720	2.7
467.37381	60.3
502.38214	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	501.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.05272	4.0
55.05515	53.4
57.03437	35.1
57.07079	60.5
59.64553	3.1
67.05505	62.9
69.07072	82.5
69.07417	2.8
71.04962	3.4
71.08635	42.4
75.04480	12.3
79.05492	24.6
81.07057	91.7
83.04967	4.4
83.08627	61.7
84.88023	2.7
85.10183	19.3
91.05455	6.8
91.81181	3.4
93.07047	32.1
95.08607	94.2
97.06522	18.1
97.10175	44.6
98.20812	9.6
105.07037	4.5
107.08595	25.9
109.10158	44.5
109.12063	3.2
111.08058	9.7
111.11715	11.9
113.05999	6.0
115.07555	5.1
121.10149	37.4
123.11707	22.8
125.09623	10.8
131.07106	3.8
135.11702	25.8
137.13252	8.8
139.11154	9.3
143.10703	5.4
149.13202	18.8
153.12778	6.6
157.12320	3.4
163.14822	12.0
167.14284	4.3
171.13823	4.3
177.16377	6.6
199.16835	3.7
223.20526	4.4
227.20177	3.3
230.61464	3.4
237.22116	3.8
289.28787	14.9
307.29971	21.2
317.28458	15.2
325.31091	3.6
335.29407	37.9
353.30527	4.1
371.31589	100.0
409.33054	61.4
427.34177	71.4
483.36844	27.3
501.37827	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01877	4.0
55.05514	66.9
57.03157	1.7
57.03443	36.8
57.07080	60.6
65.03961	1.8
66.01834	1.7
67.05508	79.2
69.03432	2.3
69.07071	90.8
71.04998	4.7
71.08638	39.2
73.06564	2.6
75.04478	9.0
79.05495	33.1
81.07061	97.5
83.04984	6.1
83.08627	73.8
85.06557	6.7
85.10185	20.3
91.05507	7.5
93.07046	42.4
95.05000	1.6
95.08611	100.0
95.63030	1.5
97.06547	18.8
97.10175	48.3
97.10787	2.9
98.20730	3.2
99.08109	4.0
99.11758	2.0
101.06050	2.4
105.07045	4.2
107.08606	30.5
109.10162	47.2
111.08076	12.7
111.11728	13.7
113.06007	2.7
115.07587	4.2
119.08618	2.2
121.10155	43.7
123.11710	18.5
125.09669	10.1
125.13270	4.2
129.09094	5.5
131.07083	5.7
131.08589	2.3
133.10149	2.4
135.11703	32.6
135.12711	1.9
137.13255	9.6
139.11195	9.8
143.10678	4.9
145.10112	2.4
147.11745	2.3
149.13271	20.4
151.14812	2.7
153.12737	9.4
157.12244	4.4
161.13295	1.7
163.14818	13.4
163.67062	1.4
167.14320	7.8
171.13876	3.5
175.14903	1.9
177.16418	7.2
181.15924	4.1
185.15401	3.4
191.18030	3.7
195.17511	4.5
199.16930	2.7
205.19608	5.3
209.19083	4.7
213.18471	2.9
223.20512	2.4
227.20044	1.8
233.22774	3.0
235.20692	2.9
237.22215	4.0
241.21648	1.7
251.23741	1.9
255.23317	2.9
265.25287	1.7
289.28909	11.5
299.27472	3.2
307.29993	22.3
317.28452	17.3
323.76047	1.9
335.29443	44.6
335.33411	2.3
353.30756	3.7
371.31595	88.8
372.32138	1.8
386.69019	1.8
409.33154	65.0
427.34225	79.7
483.36804	20.2
501.37912	66.0
502.38483	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	500.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	19.9
57.07047	16.2
60.04515	13.5
67.05476	22.9
67.72775	12.2
69.03425	17.4
69.07074	27.2
69.81340	74.1
70.06591	24.7
72.08177	13.7
79.05485	30.6
81.03421	23.4
81.07053	32.7
83.04958	23.7
83.08640	13.7
85.02914	23.8
87.36442	12.3
91.05479	36.1
93.07047	40.4
95.08600	48.4
98.20719	13.4
99.04469	20.3
105.07036	49.9
107.08581	40.3
109.10161	47.9
117.07036	18.2
118.42999	11.5
119.08585	55.8
121.06477	15.6
121.10142	51.2
123.11689	18.7
124.03963	15.9
124.60709	13.1
131.08560	34.0
133.10147	37.4
135.08032	26.3
135.11700	17.8
139.03893	12.9
139.11153	31.2
143.08589	22.4
145.10126	64.0
147.08055	30.3
147.11682	44.2
149.09639	23.8
153.01823	30.0
157.10225	15.9
159.11705	22.7
161.13264	15.1
163.11247	13.0
165.09119	17.8
167.07141	18.0
171.11685	29.0
173.09691	23.6
173.13269	39.4
175.11249	16.1
175.14836	18.2
185.13301	32.5
187.11220	23.5
187.14798	60.3
188.15620	32.6
197.13266	24.7
201.12575	14.9
205.15857	45.3
211.11226	13.3
228.90619	13.4
239.17941	26.8
285.18515	100.0
303.19516	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	17.9
67.05485	20.8
69.03411	15.4
69.07068	12.9
70.06574	15.8
71.50686	10.8
79.05473	33.2
81.07043	23.9
83.04963	12.2
83.08610	12.4
85.02895	15.1
90.01725	7.1
91.05486	30.9
93.07037	33.8
95.04968	13.2
95.08594	30.0
97.02863	14.5
98.06115	8.4
98.36758	8.9
105.07021	33.0
107.08586	24.7
109.06485	9.7
109.10151	31.5
111.08104	13.6
117.06995	14.5
119.08577	60.2
121.06445	10.0
121.10136	43.1
129.06999	12.4
130.07796	12.0
131.08548	35.1
133.10147	41.9
135.11658	16.9
139.03903	10.8
139.11172	20.0
143.08475	15.7
145.10107	96.5
147.08031	27.8
147.11691	39.5
149.09619	14.9
153.01837	19.1
157.10132	30.1
159.11725	26.4
161.09555	14.6
161.13210	10.3
163.11191	10.9
165.09039	13.0
171.11705	27.6
172.12340	7.8
173.09644	16.7
173.13269	30.6
175.11220	8.9
175.14812	17.4
183.11734	13.0
185.13303	24.6
187.11276	16.2
187.14830	76.3
188.15623	19.3
191.14375	7.8
197.13290	10.2
199.11195	9.6
205.15903	56.4
211.14671	11.2
227.14357	8.5
239.17862	17.9
243.13866	17.7
245.15279	14.8
257.19150	17.8
267.17374	10.9
285.18494	100.0
303.19571	55.9
342.25952	7.8
367.22177	9.8
500.20380	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.8
57.03434	2.7
57.07082	96.2
58.04211	9.6
58.07393	1.8
59.04750	2.4
59.05010	29.1
67.05506	5.1
69.07069	4.5
71.05005	2.8
71.08640	100.0
71.51505	3.2
72.05793	11.3
73.02908	4.9
73.06576	11.6
81.07053	8.0
82.07832	2.9
83.08608	5.6
85.10193	90.9
86.07343	2.4
87.04484	18.2
88.05214	4.7
89.06039	25.0
90.01407	3.6
90.01929	49.3
93.07046	2.2
95.08633	3.4
97.10154	5.2
99.11729	9.0
103.07568	10.6
116.08306	2.7
117.09119	5.6
121.16056	2.2
123.08057	2.2
133.08624	10.2
138.14058	3.5
141.16405	8.6
149.11737	2.4
150.99005	2.0
151.09740	2.0
169.15854	5.0
178.07111	7.6
198.19823	5.3
199.20572	8.7
208.15479	3.1
209.13754	2.5
222.09740	8.6
243.23227	2.6
284.13519	5.0
313.39417	2.4
348.31134	3.3
380.02710	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	499.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87420	2.2
53.03945	7.3
55.01864	5.6
55.05515	33.3
57.03439	32.7
57.07070	9.3
61.02926	56.8
65.03926	6.1
67.05505	90.8
67.89530	2.0
69.03432	33.6
69.07071	33.4
71.01350	4.3
71.04983	8.2
71.08629	5.2
73.02917	23.3
79.05493	34.6
81.03416	25.2
81.07059	100.0
83.04955	5.5
83.08631	20.9
85.02908	56.2
85.06559	4.1
87.04462	3.6
91.03963	35.5
91.05492	24.3
93.07051	38.3
95.04981	4.5
95.08610	67.7
97.02898	40.3
97.06523	9.5
97.10175	12.3
99.04456	12.5
101.02359	9.3
103.03947	9.9
105.07033	25.2
107.04944	2.9
107.08602	22.9
109.02885	8.1
109.10162	27.0
111.04455	4.6
111.08095	3.6
111.11725	2.4
115.03944	5.3
117.07005	7.1
119.08573	17.5
121.06513	4.8
121.10133	13.2
123.08039	4.0
123.11732	12.9
127.03924	19.8
129.05463	7.0
129.07057	2.7
131.08559	9.4
133.10089	12.0
135.11702	14.9
137.09624	3.0
137.13240	6.8
139.11174	2.9
143.08589	5.3
145.04958	8.7
145.10112	7.7
147.11696	10.6
149.13242	8.7
159.11705	4.5
161.13258	9.6
163.14842	5.6
166.09216	2.8
167.14355	2.5
171.08076	2.3
175.14864	5.7
183.06593	4.6
187.14758	4.3
189.16396	2.7
191.14185	2.9
199.14677	2.6
201.07494	5.0
220.62270	2.6
245.22620	10.3
261.22211	4.1
263.23712	23.0
305.24701	4.2
329.24731	3.0
334.89975	2.2
337.27374	72.6
365.26636	3.6
371.25806	7.6
463.30655	4.7
464.30783	5.3
481.31729	4.2
499.32922	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	499.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.9
55.01867	6.8
55.05513	28.8
57.03439	35.9
57.07068	10.0
60.08150	2.5
61.02931	66.6
65.03944	3.5
67.05508	85.6
69.03436	43.7
69.06732	2.8
69.07074	34.5
71.01348	2.5
71.04970	7.0
71.08627	6.2
73.02921	32.2
75.04482	2.7
79.05500	37.8
81.03419	25.9
81.07059	96.3
83.04985	6.4
83.08628	23.9
85.02905	74.0
85.10144	2.7
86.09704	8.8
87.04465	4.6
91.03958	49.9
91.05486	26.5
93.07040	35.7
95.04953	4.7
95.08609	78.2
97.02900	60.1
97.06526	6.6
97.10165	11.4
98.21545	5.7
99.04458	14.1
99.08095	4.1
101.02374	13.9
103.03944	11.1
104.10720	7.9
104.30507	2.4
105.07037	18.3
105.11070	5.5
107.08594	15.7
109.02885	13.5
109.10157	33.9
111.04479	4.5
111.08067	3.2
111.11695	3.4
115.03970	6.4
117.07014	3.8
119.08581	15.4
121.06499	2.7
121.10143	18.6
123.11705	14.3
125.00003	4.5
125.09618	5.2
127.03933	30.4
129.05484	5.3
129.07033	3.1
131.08575	7.1
133.10114	14.6
135.11690	11.3
137.13240	8.8
141.05467	2.7
145.04956	9.8
145.10109	6.8
147.11681	9.1
149.13266	6.7
151.14871	3.4
159.06575	3.5
159.11650	2.8
161.13284	10.7
163.14804	7.2
165.12791	3.3
169.10236	3.6
175.14821	10.2
176.85602	2.8
183.06538	7.5
183.09961	2.8
184.07365	8.7
185.07634	4.7
185.13155	3.6
187.14862	3.7
189.16313	3.4
195.98068	2.8
201.07605	5.1
224.65311	2.8
245.22647	10.9
261.22141	3.2
263.23730	25.3
265.51401	2.4
270.85562	2.6
275.16467	2.6
305.24902	2.7
330.10010	2.5
337.27380	100.0
347.25821	3.6
365.26636	3.0
371.25589	5.3
481.31940	5.0
499.32672	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	498.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	11.8
57.03424	4.5
57.07084	3.7
67.05509	51.3
67.79460	3.0
69.07071	18.7
70.23167	13.8
71.04967	4.4
79.05500	27.5
81.03423	6.1
81.07056	62.9
83.04967	8.9
83.08608	12.0
91.05477	27.1
93.07042	40.7
94.25234	3.1
94.85310	3.0
95.08611	24.2
96.58304	3.0
97.06521	7.8
105.07018	10.1
107.08602	22.9
109.10139	7.5
111.08076	4.1
111.43296	2.9
117.07008	11.3
119.08580	7.4
121.10146	15.5
123.11696	5.5
129.07022	6.0
130.08636	4.9
131.08565	15.1
133.10109	14.7
135.11691	7.2
143.08545	4.2
145.10086	4.1
149.13260	19.9
157.10115	4.7
159.11716	9.8
171.11867	3.6
195.13821	15.3
200.61626	3.2
220.23529	3.5
223.41483	3.2
269.17459	66.5
275.29691	3.6
337.27725	3.7
353.24738	6.6
445.29514	11.2
463.30542	100.0
464.31461	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	498.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	97.8
59.05005	19.3
69.07086	2.4
70.07387	4.4
71.08633	91.7
73.06542	1.7
74.73009	1.0
83.08627	2.5
85.10184	92.7
86.10488	1.4
87.04472	4.4
89.06033	100.0
95.15412	1.1
98.20879	1.7
99.11720	11.2
99.40839	1.2
103.07573	7.8
107.07072	1.6
107.08594	1.1
113.15137	1.1
130.08594	1.4
131.07040	2.3
133.08607	70.0
141.16391	9.7
143.08562	1.4
177.11230	32.4
195.12209	1.4
199.20581	10.8
218.20709	1.4
220.89923	1.5
221.13931	2.5
239.14894	1.8
243.23189	3.3
283.17538	27.8
323.20572	3.8
327.20242	3.7
341.21686	2.7
381.58279	1.3
481.37201	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	499.2331
Annotation	Garcidepsidone C
Peak:m/z	Relative Intensity
53.03949	1.9
54.38034	1.2
54.54813	1.2
55.01872	2.6
55.05509	6.4
57.03447	1.5
57.07072	1.5
59.05014	1.5
63.87939	1.1
65.03923	2.1
67.05521	7.4
68.55564	1.1
68.99786	1.9
69.03137	1.2
69.03439	12.5
69.07076	9.6
70.06602	2.0
71.04974	1.3
71.50814	2.0
73.71635	1.2
76.10187	1.1
79.05502	11.0
81.03411	4.0
81.07056	12.4
83.04971	2.3
83.08614	1.5
85.02899	4.7
85.06524	1.7
91.05483	11.0
93.07044	15.8
95.04984	5.7
95.08617	17.7
97.02837	2.8
97.06528	2.7
99.04482	2.5
105.06448	1.2
105.07049	10.0
107.04949	6.2
107.08590	18.1
109.02894	4.4
109.06506	4.0
109.10159	9.1
111.04461	2.2
111.08109	2.5
115.86427	1.4
117.03378	1.3
117.06969	1.4
119.04948	2.9
119.08597	14.2
121.06526	8.7
121.10150	13.5
123.04435	6.3
123.08028	2.3
123.11720	6.1
125.06010	1.3
125.09617	2.4
125.87910	1.0
127.03939	2.5
130.07780	1.2
131.04922	1.9
131.08560	2.6
133.02853	1.6
133.06444	1.9
133.10130	27.8
135.04433	11.4
135.08051	3.8
135.11688	13.3
137.05954	4.4
137.09615	3.1
137.13283	3.8
139.03909	100.0
139.11157	4.1
140.04225	1.4
141.05463	2.2
145.02850	2.5
145.10126	4.5
147.04420	4.1
147.08026	2.2
147.11691	3.2
149.05957	5.2
149.09625	2.5
149.13234	6.0
151.03917	10.3
151.07494	2.3
151.11116	1.8
153.01817	3.9
153.05464	8.3
157.10184	1.8
159.04449	4.1
159.11659	2.9
161.05946	2.2
161.09677	1.3
163.03912	28.8
163.07587	2.4
163.11143	1.6
165.05484	97.7
167.07045	4.8
169.04994	2.6
171.11710	1.6
173.09538	1.7
173.13252	4.6
175.07565	4.0
175.14833	15.7
177.05487	20.7
179.03320	1.3
179.07031	7.1
181.04968	15.1
189.05489	8.6
189.09061	1.2
191.07077	9.0
191.10670	1.3
193.08601	32.3
193.15831	1.7
195.06555	8.8
197.41045	1.3
203.07094	2.9
205.04985	2.9
205.08478	1.3
217.08684	1.5
219.10080	2.2
221.08420	1.7
223.06041	3.3
229.05061	1.5
231.10077	1.6
233.11588	1.6
247.05991	3.0
257.11713	3.6
285.02594	1.3
295.16907	3.4
313.18018	24.7
315.08737	6.4
319.08148	7.6
319.22641	1.9
323.18640	1.9
331.19086	19.5
333.09714	64.0
342.11740	1.4
345.09659	2.2
357.09677	3.6
358.86316	1.6
359.11093	4.0
455.13010	3.9
467.20145	1.5
481.22345	7.3
499.12198	21.7
499.23260	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	498.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
56.96566	2.9
59.98646	0.3
65.03929	1.4
69.03407	0.5
70.06587	1.6
71.50200	0.6
79.01873	1.5
79.05503	0.6
81.03413	0.7
81.07037	0.6
84.08138	0.4
84.96021	0.4
85.02904	0.8
91.05484	18.0
92.05788	0.4
93.07053	1.6
95.04951	0.5
97.02882	0.5
98.97607	1.5
103.05466	1.1
107.01331	0.4
109.02909	0.5
109.06541	1.1
110.07181	0.6
116.07072	0.5
116.98602	0.7
119.04949	10.1
119.05794	0.6
121.06507	25.5
122.06069	0.4
122.06883	0.6
123.04436	1.0
125.02335	0.5
127.03938	2.2
137.05983	100.0
138.06337	1.3
138.09145	7.1
139.03876	2.4
143.00203	0.7
143.03424	1.5
147.04449	0.5
153.01839	22.3
153.02892	1.1
154.02176	2.6
154.08635	32.8
155.02142	0.5
155.09056	0.3
156.36685	0.4
157.97740	0.4
158.99649	0.5
161.01222	0.5
163.03961	0.5
167.07059	1.0
171.02911	0.5
177.00786	0.6
179.03416	0.7
182.99687	0.4
185.01306	0.3
197.01157	0.4
199.09683	0.7
204.07748	0.3
208.97580	0.6
212.84784	0.3
213.00755	0.4
215.07768	0.3
215.98241	0.4
216.03770	0.3
219.01680	0.4
226.98674	1.4
229.05028	0.5
233.99329	1.4
234.99007	0.4
237.02939	0.5
244.99747	1.6
253.00237	0.7
257.04504	1.4
258.04849	0.4
263.00754	1.2
271.01425	0.5
286.07343	0.3
287.05542	0.7
298.05994	0.3
305.10904	0.5
306.02487	0.5
306.05673	0.6
306.11032	0.4
318.11234	0.3
324.03790	0.6
342.04916	0.7
401.04251	0.3
407.07733	0.5
425.08688	0.4
431.53729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.2
57.07078	100.0
59.05004	36.2
63.91083	1.9
67.05511	2.4
67.13771	2.1
69.07080	4.2
71.08635	95.0
71.51777	3.2
73.02922	45.1
75.90327	1.9
83.08624	5.5
83.30457	2.1
85.10188	95.8
87.04475	4.5
87.08125	2.2
89.06044	17.0
96.41316	2.2
97.10185	3.5
98.24970	2.0
99.11738	12.4
101.09654	2.6
103.07597	4.0
106.40838	1.9
110.66556	2.3
117.09121	9.0
133.08580	6.6
141.16393	9.0
146.05278	1.9
160.50261	2.0
195.12257	6.9
199.20572	18.8
205.10733	7.1
253.16533	2.3
257.24738	7.0
273.55515	2.6
283.17389	4.1
501.12695	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	496.421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67735	1.4
52.20825	1.3
55.05502	2.9
57.03429	2.6
57.07078	100.0
59.05003	60.3
63.50680	1.1
67.05499	1.6
69.07058	4.1
71.08634	95.5
71.51634	1.6
71.51994	2.0
72.36302	1.2
75.48997	1.3
78.78725	1.1
83.08623	4.2
85.10186	96.5
89.06025	19.6
95.67391	1.2
97.10193	2.6
99.11729	11.7
101.06024	1.8
101.09672	4.8
103.07568	3.0
104.04997	1.2
107.07073	1.9
117.09140	19.1
117.31620	1.1
130.50566	1.1
133.08638	2.7
141.16365	9.6
147.10175	6.9
199.20592	21.8
205.14359	3.3
223.15427	2.4
240.23253	1.6
257.24789	27.2
283.17648	1.9
315.29175	2.1
410.47516	1.3
479.39255	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
55.01873	0.6
67.05511	0.8
70.67230	1.4
71.63686	0.4
76.38084	0.4
79.01868	6.4
82.98132	0.5
83.04967	0.9
95.04980	2.0
97.02913	1.0
106.94954	0.5
107.01308	2.0
109.02895	0.7
111.04461	1.1
125.02356	3.2
127.03930	1.2
129.05533	0.8
139.03967	0.6
143.03412	5.6
143.12802	0.5
153.01839	100.0
153.02908	6.1
154.02155	1.0
171.02924	1.6
208.09755	1.6
309.06036	10.1
327.07162	5.7
355.64191	0.5
417.16461	0.7
471.72479	0.5
479.08209	2.0
479.16586	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.2
55.05510	27.0
57.03439	33.4
60.84461	7.2
61.02924	58.5
67.05508	82.8
69.03428	34.3
69.07059	17.7
71.01747	6.7
71.05007	11.6
71.51427	8.7
73.02924	17.9
74.67705	7.3
75.47815	6.5
79.05490	72.7
81.03411	21.0
81.07059	100.0
85.02918	66.9
87.04480	8.8
91.03975	20.8
91.05495	59.7
93.07053	83.4
95.04980	14.5
95.08620	68.1
97.02925	42.6
99.04453	10.0
101.02359	8.5
105.07030	41.6
107.05019	7.3
107.08614	38.4
109.02897	18.2
109.10165	30.8
117.07004	23.0
119.08604	31.7
121.06496	9.0
121.10154	25.4
123.11713	16.4
127.03944	13.7
128.06357	11.2
129.05507	10.7
129.06944	11.5
131.08600	33.3
133.10123	26.4
135.11664	16.6
143.08528	15.2
145.06503	8.0
145.10152	25.2
147.11676	23.6
149.13257	9.1
153.01817	13.9
159.11729	12.2
161.13275	18.3
171.11633	10.0
173.13326	12.3
175.14833	8.1
177.27943	7.3
187.14792	11.8
187.59604	7.5
193.10435	11.0
196.13029	10.2
220.08217	7.9
220.83723	8.4
243.21118	10.0
251.04698	8.0
261.22198	31.5
266.61594	7.6
335.25848	28.7
361.05490	8.5
369.24506	9.1
377.26660	9.5
413.26559	7.9
431.28061	11.1
443.28152	37.7
461.28677	14.3
479.29788	13.3
492.45560	8.5
497.31134	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.57348	0.5
55.05505	0.6
56.05029	0.9
57.03450	0.9
57.07083	3.8
58.06598	1.5
60.08171	16.1
69.07059	0.7
70.11809	2.2
71.07378	7.6
71.08627	1.5
81.07070	0.9
83.08615	0.6
85.10191	0.8
86.09711	50.4
95.08576	0.9
98.98454	2.9
104.10749	100.0
105.11135	0.6
107.81476	0.5
109.10181	0.5
117.65641	0.5
123.05114	0.4
125.00011	25.0
142.58713	0.5
163.01593	0.9
166.06310	0.5
184.07353	98.4
191.12822	0.5
225.48373	0.5
258.11160	0.7
310.43207	0.5
313.27411	1.6
419.25705	0.5
478.32941	8.2
496.34009	27.6
497.34375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85005	0.2
53.68645	0.2
56.05037	0.4
57.03413	0.3
57.07077	0.8
58.06615	0.5
58.59857	0.2
60.08165	6.3
67.05507	0.6
69.07072	0.3
69.44155	0.4
69.44550	1.4
71.07381	3.3
71.08630	0.4
72.47179	0.2
77.16293	0.2
78.19553	0.2
79.05499	0.2
81.07065	0.7
83.08631	0.3
86.09710	28.3
91.05469	0.3
93.07032	0.5
95.08619	0.6
97.10178	0.3
98.20780	0.5
98.98466	2.8
103.84800	0.2
104.10741	3.5
125.00009	20.6
131.08611	0.3
155.50847	0.2
160.45663	0.2
184.07347	100.0
185.07674	0.7
258.10965	0.3
313.27313	0.4
424.21939	0.2
478.32797	1.2
496.34091	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	496.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82587	0.3
60.18374	0.4
65.03941	0.9
70.99274	0.9
84.08150	1.1
91.05492	18.0
94.02461	0.3
94.29583	0.3
98.97606	0.6
109.06516	1.0
119.04961	11.1
121.06493	0.6
130.08630	0.6
133.89978	0.3
137.05992	100.0
138.06296	1.1
153.01826	0.5
154.08644	38.8
201.00824	0.6
214.07509	0.8
232.04936	0.6
261.03110	0.5
287.05731	0.5
424.67581	0.5
496.14182	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.05511	4.0
57.03433	2.7
57.07054	1.2
58.85738	1.3
61.57973	1.1
62.08201	1.2
67.05511	13.0
69.03433	2.0
69.07072	7.3
70.09759	5.1
71.05005	2.6
72.53335	1.1
73.02904	1.1
76.73629	1.2
79.05482	6.5
81.03426	1.8
81.06587	2.3
81.07061	37.9
83.04996	3.2
83.08640	1.9
85.02905	2.9
85.06549	2.4
86.09678	1.6
91.05486	15.4
93.07054	7.1
93.22924	1.0
93.64278	1.3
95.04984	3.2
95.08604	7.1
96.08953	1.4
97.02908	1.7
97.06542	3.8
105.07050	14.0
107.08617	5.6
109.06525	4.1
109.10152	2.0
114.22495	1.1
115.03988	1.2
119.08579	12.2
121.06523	2.9
121.10164	10.1
123.04447	1.4
123.11695	10.7
127.07591	1.5
131.08556	3.0
133.10135	7.5
137.09581	1.4
137.13263	2.0
147.11702	44.7
148.12044	1.3
152.94374	1.2
157.10121	4.1
165.12773	22.3
166.05917	1.3
175.11258	4.7
177.34187	1.4
190.37370	1.3
193.12270	10.0
197.15431	5.7
225.14833	3.3
239.13274	1.2
243.15924	5.0
267.15961	7.4
285.16870	1.4
299.18558	100.0
328.11691	1.3
346.75412	1.2
354.44785	1.3
496.21301	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.6
55.01886	11.1
55.05514	30.0
57.03444	28.3
57.07069	4.5
61.02929	26.5
61.05969	2.3
65.03942	3.0
67.05508	59.4
69.03144	2.2
69.03437	26.2
69.06784	2.8
69.07074	26.6
69.24879	24.1
70.55067	2.4
71.01357	7.7
71.04990	9.3
73.02916	24.1
77.03919	3.3
79.05072	4.4
79.05499	54.2
81.03426	25.4
81.07068	61.7
83.04990	11.9
83.08611	11.2
85.02911	30.7
85.06548	5.4
91.03964	12.9
91.05488	69.5
93.06482	4.2
93.07052	67.6
95.04982	13.8
95.08617	35.0
97.02900	20.3
97.06530	9.1
97.10164	5.8
99.04449	6.8
101.02370	4.5
103.03956	5.2
103.05489	3.4
105.07037	75.7
107.04949	11.6
107.08603	34.5
109.02841	3.1
109.06503	8.2
109.10179	13.3
111.04450	8.0
111.08085	6.5
115.05451	6.6
117.07033	35.3
119.04913	4.0
119.08576	49.5
121.06522	10.8
121.10144	24.2
123.08111	5.3
123.11716	4.4
125.05931	2.4
127.03938	4.4
128.06256	6.2
129.05525	3.9
129.07008	30.4
130.07805	5.7
131.04941	4.0
131.08575	51.1
133.06499	9.9
133.10143	35.6
135.08125	5.9
135.11699	17.6
137.05969	3.4
137.09615	2.8
141.06996	11.9
142.07751	5.5
143.08580	32.4
144.09352	2.5
145.04973	2.2
145.06491	11.4
145.10124	42.9
147.08061	9.5
147.11691	24.0
149.09622	12.2
149.13287	14.2
153.07059	3.9
154.07797	3.7
155.07436	2.6
155.08540	16.6
157.06526	5.4
157.10150	29.7
159.08087	11.1
159.11719	31.3
161.09650	10.7
161.13301	8.8
163.11194	8.4
167.08591	5.5
168.09427	3.6
169.06573	4.8
169.10143	19.9
171.08083	9.0
171.11710	26.5
172.67310	2.4
173.09637	11.3
173.13232	17.5
175.11240	8.4
175.14859	5.0
179.08499	3.8
181.06432	4.0
181.10149	9.6
183.08124	5.9
183.11703	17.1
185.09657	8.9
185.13261	13.8
187.11206	9.8
187.14851	7.3
189.12791	5.3
195.08153	3.4
195.11749	8.2
197.09698	6.5
197.13295	11.6
199.11189	4.5
199.14842	7.3
201.12842	7.6
203.14429	3.7
209.09814	2.8
209.13388	5.4
211.11266	6.7
211.14799	5.7
213.12794	9.0
215.10730	2.8
215.14290	3.5
223.11244	5.7
223.14905	3.3
225.12712	5.3
237.12901	2.7
241.19539	5.2
253.16130	2.6
257.19034	6.2
259.20685	12.1
269.19080	5.1
271.20654	8.7
273.22073	4.0
275.20148	4.2
277.21759	4.3
283.20691	5.1
285.22235	4.7
289.21872	2.9
295.20547	3.6
297.22253	4.5
301.21704	9.0
307.20731	4.3
313.21689	10.6
317.21188	3.2
325.21707	14.1
333.24286	15.1
337.21616	3.2
339.23260	6.8
343.22675	6.9
345.24237	2.9
349.21017	11.1
355.22565	2.6
361.23849	10.9
363.25333	5.7
367.22696	20.9
373.23859	5.2
375.25327	13.9
385.23822	16.3
387.25278	8.5
403.24799	9.2
405.26715	3.0
417.26331	17.5
421.25699	3.8
429.26419	16.8
441.26459	42.0
459.27481	33.0
477.28540	38.9
495.13654	2.9
495.29568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
55.01870	11.1
55.05519	25.2
56.72520	3.5
57.03440	21.7
57.07064	3.6
61.02936	24.5
65.03915	5.2
67.05508	60.5
69.03436	22.6
69.07069	18.8
71.04992	6.5
73.02923	23.4
79.05499	51.2
81.03429	26.2
81.07062	59.1
83.04964	10.0
83.08619	12.0
85.02918	27.3
85.06576	4.1
87.04411	4.8
91.03944	15.1
91.05484	63.9
92.71844	3.4
93.07046	51.6
95.04964	14.8
95.08622	43.7
97.02893	20.3
97.06491	5.1
97.10174	6.3
98.20786	6.9
99.04422	3.8
103.03911	5.5
105.07035	69.1
107.04963	13.5
107.08606	34.2
109.06503	5.4
109.10161	16.5
111.04408	6.4
115.05426	9.7
117.07011	39.4
119.08595	47.0
121.06491	11.7
121.10129	18.2
123.08046	8.9
123.11776	5.6
127.03952	7.6
127.89700	3.6
128.06218	10.6
129.05423	5.6
129.07019	32.7
131.08589	54.9
133.06512	10.1
133.09442	3.2
133.10159	38.9
135.08022	11.9
135.11688	14.3
137.09633	5.9
139.16339	3.5
141.06996	12.7
143.08562	31.5
145.06444	9.4
145.10147	45.0
147.08044	14.7
147.11708	24.9
149.05948	4.4
149.09583	4.4
149.13196	9.6
153.07054	4.4
155.08543	25.9
157.10133	34.5
159.08035	13.0
159.11734	38.0
161.09650	6.7
161.13232	13.3
163.11243	7.2
167.08542	8.5
168.09319	3.9
169.10152	17.1
171.08022	10.8
171.11702	21.0
173.09615	11.3
173.13281	21.3
175.11143	6.0
181.10130	6.8
183.08130	3.6
183.11694	19.6
185.09630	6.4
185.13272	19.1
187.11211	7.2
187.14769	7.6
189.12730	6.6
193.10146	6.6
193.12151	4.5
195.11722	10.7
197.09718	6.0
197.13255	9.8
199.11209	9.7
199.14775	9.8
201.12682	8.9
201.76106	3.8
203.14275	5.9
207.11714	4.8
209.13287	7.4
211.11163	5.8
213.09000	4.5
213.12883	3.8
215.14325	5.7
221.13312	5.1
227.14424	4.9
257.19159	4.8
259.20587	8.3
269.19009	5.0
273.22101	6.0
275.20200	4.5
283.20517	8.9
285.22058	4.6
287.20187	3.9
297.22131	4.0
301.21695	9.4
313.21530	8.6
325.21667	11.4
331.22607	4.8
333.24210	14.0
337.21542	4.4
339.23276	7.6
345.24130	6.2
349.21695	13.0
357.24411	5.8
361.23636	14.5
363.25134	7.9
367.22668	26.6
373.23810	5.1
375.25275	13.4
385.23703	12.9
387.25232	8.2
403.24677	15.8
409.89874	3.6
417.26279	13.3
429.26270	16.9
435.27350	4.7
441.26349	40.7
459.27368	29.4
477.28525	42.2
495.29626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	12.4
55.01869	11.8
55.05513	35.8
57.03440	37.7
57.07071	5.9
61.02930	58.1
65.03936	4.9
67.05508	73.9
67.98978	2.4
69.03432	46.7
69.07068	29.9
71.01347	10.5
71.04990	9.0
71.08613	2.6
73.02915	35.6
73.06556	2.9
73.79917	2.4
75.04475	2.7
77.03935	3.4
79.05498	88.2
81.03415	31.9
81.07054	71.1
83.04969	16.1
83.08624	13.6
85.02908	64.3
85.06536	6.8
87.04483	3.7
91.03963	29.4
91.04494	3.5
91.05483	100.0
93.07048	98.3
93.07642	5.3
95.04977	14.8
95.08614	59.9
97.02892	49.0
97.06551	7.0
97.10170	6.0
98.20621	4.5
99.04459	8.8
101.02366	9.1
101.06024	3.0
103.03927	8.7
103.05499	6.7
105.07034	97.0
105.71609	2.5
107.04972	11.9
107.08601	58.5
109.02874	8.0
109.06519	10.6
109.10147	20.8
109.35838	2.3
111.04434	11.9
111.08089	5.0
113.05991	3.7
113.09589	2.8
115.03915	5.3
115.05455	9.2
116.06297	2.6
117.05658	2.8
117.07021	54.3
119.04968	4.2
119.08583	69.6
121.06527	16.0
121.10147	37.3
123.04407	4.6
123.08079	7.7
123.11698	3.8
125.09647	5.6
127.03944	18.1
128.06241	10.3
129.05486	10.0
129.07007	30.4
130.07809	3.8
131.04939	5.3
131.08569	64.3
133.06528	10.9
133.10133	47.7
135.08069	12.1
135.11722	23.4
137.05951	4.7
137.09669	4.1
139.07603	2.9
141.07004	11.0
142.07796	8.1
143.08565	38.1
145.04988	6.4
145.06508	11.5
145.10129	52.7
147.08076	11.7
147.11693	41.7
149.09630	7.4
149.13248	16.2
151.11206	3.1
154.07819	5.0
155.08554	19.5
156.09373	3.0
157.06573	5.5
157.10123	28.8
159.08044	16.2
159.11700	45.3
161.09650	10.6
161.13245	20.9
163.11165	7.3
165.06972	4.9
165.09120	3.5
166.07805	3.8
167.08594	10.7
169.10150	15.2
171.06688	3.6
171.08081	7.8
171.11703	32.7
173.09604	9.3
173.13266	23.5
175.11224	8.0
175.14842	9.6
177.12691	3.8
179.08542	4.9
181.10164	9.1
183.08035	5.1
183.11658	15.0
184.08897	2.8
185.08102	2.9
185.09712	6.2
185.13213	19.9
186.10316	2.5
187.11253	7.2
187.14809	10.0
189.12807	6.5
189.16409	4.2
191.10696	2.5
193.10095	4.0
195.11665	13.8
197.09653	5.1
197.11737	2.6
197.13242	14.9
199.11192	5.7
199.14839	8.4
201.12799	5.8
201.16544	3.3
203.14383	6.0
207.11713	3.3
209.09645	3.3
209.13297	7.1
211.11110	5.7
211.14883	7.6
213.12785	6.2
213.16386	5.7
215.14391	4.4
217.15926	4.4
221.13417	4.2
223.11261	4.1
225.12822	8.0
227.14430	3.9
229.19539	3.0
235.14999	2.8
237.12738	4.1
239.14388	3.8
239.17982	4.5
241.19514	13.3
251.14302	3.1
253.19565	4.3
257.19000	6.5
259.20596	22.1
261.22284	2.9
271.17633	2.2
271.20612	13.9
273.22162	5.4
275.20154	5.1
277.21796	7.9
283.20575	6.1
285.22089	4.4
287.20087	5.6
289.21710	7.4
293.18594	2.8
295.20563	4.2
297.18796	2.5
297.22116	5.9
301.21729	14.0
303.23370	2.7
307.20526	2.8
313.21545	12.7
315.23224	5.9
321.22165	5.5
325.21606	12.4
329.06650	5.0
331.22775	6.8
333.24246	46.6
337.21420	4.7
339.23224	8.7
343.22870	7.6
345.24353	6.6
349.21045	16.1
351.25497	2.7
355.22946	3.7
357.24286	7.5
361.23764	9.8
363.25372	8.1
367.22787	19.9
373.23715	3.3
375.25296	17.7
385.23840	15.4
387.25308	11.1
399.25464	4.8
403.24832	9.8
405.26544	6.5
411.25073	3.1
417.26407	11.6
423.25186	3.5
429.26440	11.0
441.26419	38.3
459.27374	34.7
477.28461	39.5
495.29599	89.5
495.36572	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	495.184
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
55.05514	1.0
67.05505	0.9
69.03422	1.7
69.49228	4.0
70.06570	1.0
79.05493	1.3
81.03404	1.1
81.07057	1.0
84.74403	0.5
85.02915	1.8
90.32187	0.5
91.01009	0.5
91.05492	1.4
93.07037	1.7
95.04960	0.9
95.08603	0.9
97.02885	1.4
97.06515	0.8
98.21528	1.1
105.07050	1.5
106.02901	0.7
107.08625	1.6
109.02862	0.8
109.06550	0.8
113.05766	1.0
119.08591	0.9
121.10165	0.8
124.03944	3.3
125.04319	1.1
127.03985	1.1
133.10176	1.2
135.08096	0.7
137.05946	0.8
137.09569	0.8
138.99184	0.5
139.03906	1.5
149.02405	0.8
149.13312	0.7
151.07584	0.8
153.01836	4.2
154.02170	1.1
167.07062	0.6
189.01656	0.6
192.14528	0.5
194.16391	0.6
203.05302	0.8
234.72853	0.7
243.06180	0.5
261.07364	5.4
268.08194	1.3
269.08493	0.9
275.10983	5.1
286.09253	0.5
315.12076	3.7
333.05798	3.3
333.12625	3.4
423.12753	1.0
495.18420	100.0
496.18790	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	495.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.5
53.03941	0.7
55.05518	0.9
56.75704	0.4
65.03939	0.5
67.05499	1.9
69.03429	1.2
69.07078	1.0
69.63226	0.4
70.06590	1.7
71.51321	0.7
72.86491	0.5
79.05498	1.8
81.03403	0.6
81.07069	2.5
83.04987	0.5
85.02914	1.1
85.06538	1.1
86.80945	0.4
88.13213	0.4
91.05491	1.9
93.07059	2.3
95.04990	0.5
95.08617	2.3
97.02878	0.6
97.06568	0.5
105.07024	1.2
107.04940	0.8
107.08610	1.3
109.02865	0.5
109.06532	0.9
109.10162	1.8
119.08589	1.4
121.02893	0.7
121.06483	0.6
121.10162	0.9
123.04418	0.6
123.11701	0.9
124.03973	0.7
127.03874	0.6
131.04961	0.5
131.08583	0.8
133.10158	1.1
135.04446	0.5
135.08102	0.7
135.11711	0.8
137.05992	1.6
137.09613	0.8
139.03918	12.8
145.10147	0.7
147.04425	0.9
147.11723	0.8
149.06000	1.0
151.03894	1.8
151.07547	0.8
153.01866	3.2
153.05492	1.4
159.11676	0.8
161.05945	0.4
163.03966	1.9
163.07547	0.4
163.11163	0.5
165.09113	5.0
166.02682	0.5
167.06978	0.6
175.04005	0.9
175.07573	0.4
177.05504	0.5
179.03400	0.9
181.04977	3.0
187.04030	0.5
191.03432	1.4
203.03470	2.2
205.05020	1.4
207.06631	1.0
217.05107	0.6
257.04529	0.8
261.07449	3.0
270.05090	0.8
271.05780	0.6
272.05777	0.6
275.11011	7.2
287.05276	0.5
295.06012	0.6
299.05432	0.8
301.03644	1.1
302.04041	0.5
305.04547	0.6
309.57843	0.5
311.05533	0.8
315.04996	1.8
315.08694	1.0
316.05515	1.6
317.02469	0.6
317.05841	3.0
318.03693	5.3
323.05484	1.4
327.08743	0.9
331.08020	2.8
332.08588	3.3
333.05682	12.9
333.09045	2.8
333.13144	0.9
341.06650	4.3
357.09766	1.3
369.09738	0.9
423.12900	1.2
451.18988	0.5
453.11990	1.5
470.79980	0.4
495.18466	100.0
496.18845	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	495.1289
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
53.03930	0.3
53.26891	0.2
55.05489	0.3
67.01858	0.3
67.05492	0.6
68.99785	0.4
69.07047	0.5
70.25838	0.9
72.72535	0.2
77.03909	0.2
78.04703	0.4
79.05451	0.7
81.03379	0.8
81.07039	0.9
89.03870	0.3
91.05481	2.1
93.07015	1.1
93.48569	0.2
95.04935	0.6
95.08593	0.3
102.04681	0.4
103.05470	3.7
104.06224	0.4
105.03406	0.4
105.04498	0.3
105.06992	1.0
106.04192	0.3
107.04919	0.8
107.08540	0.3
109.06501	0.3
111.25659	0.2
115.05442	0.5
117.03358	0.6
117.07001	0.4
118.04165	1.9
119.04922	0.7
119.08528	0.7
121.06516	2.3
122.06863	0.4
123.04392	0.8
125.02366	0.3
126.31297	0.2
129.07002	0.3
130.04126	1.0
131.04036	0.4
131.04941	4.9
131.08534	0.3
132.05721	1.8
133.02821	0.6
133.06467	0.4
134.03632	0.3
135.02052	0.2
135.04384	0.8
137.05972	0.3
139.03877	0.7
140.04706	2.2
145.02740	0.3
145.10088	0.3
146.03632	2.5
147.04362	1.0
147.11674	0.4
148.05156	0.8
149.05971	1.1
151.03947	0.4
153.01840	6.0
153.05473	0.7
154.06143	0.4
155.07074	0.3
158.44008	0.3
159.04446	0.5
160.05165	0.7
161.02315	0.4
161.05988	1.1
162.03105	1.2
163.03905	0.8
163.07523	0.3
165.05511	0.4
166.06206	0.3
167.07100	1.8
173.05956	0.6
176.04681	2.4
177.05493	3.2
178.06259	3.8
184.09523	0.2
191.07019	4.2
192.07767	1.9
193.04976	0.4
197.05981	0.4
203.03383	6.0
213.05482	0.8
229.02881	0.4
229.04970	6.0
241.04898	1.4
242.05748	11.1
253.04863	1.8
257.04456	55.3
258.05240	19.9
259.05835	0.7
267.15848	0.3
269.04526	1.7
270.05222	2.2
271.05957	2.3
283.06030	0.6
285.03918	7.7
286.04727	32.2
287.05499	19.5
287.08951	0.4
295.05975	0.5
297.03952	4.9
299.05478	2.5
300.06253	0.8
301.07083	0.5
310.46094	0.3
311.05420	0.3
313.07080	0.4
327.04971	2.4
341.06534	2.7
359.09277	0.3
360.10257	0.3
363.08548	0.5
371.08832	0.3
373.07452	0.3
381.51151	0.3
388.09314	0.5
389.06421	0.4
402.07120	0.3
403.08322	0.5
410.24509	0.3
416.08685	0.5
419.07681	1.0
444.08487	0.3
445.09412	0.4
447.07080	1.6
461.08719	0.6
462.09473	0.7
465.12009	3.5
477.11832	15.1
478.12390	0.4
495.12888	100.0
496.13187	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1136
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
55.01858	0.8
57.03423	0.7
61.02925	1.8
68.99787	0.9
69.03419	3.5
69.88921	1.6
69.89310	1.8
79.81458	0.7
81.03394	1.9
85.02913	7.7
97.02916	3.6
98.21403	1.3
109.02875	1.2
118.79347	0.9
125.03694	0.7
127.03894	1.3
139.03918	3.1
145.04994	1.6
153.01817	7.4
165.01816	2.0
166.02521	0.8
167.03377	1.6
193.04846	0.9
217.05011	2.5
219.02928	3.3
233.04498	1.2
234.05212	1.1
240.66560	0.8
244.03679	1.0
245.04459	4.4
259.06006	1.1
273.03949	3.0
277.07104	1.3
287.05545	1.4
289.03442	2.1
290.04221	1.2
301.03448	5.5
318.03717	11.4
333.06073	100.0
334.06329	1.5
376.30893	0.9
505.40814	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
58.24512	0.8
65.03931	2.4
67.05489	2.5
69.24225	7.9
70.06576	1.3
79.01851	2.5
81.03426	1.0
86.09696	1.7
95.04967	2.9
97.02848	1.1
107.01363	0.9
108.02077	3.0
109.02876	1.5
111.04442	1.2
137.05949	1.1
139.03885	2.1
140.07043	1.3
141.05460	2.4
143.03410	3.4
146.06021	2.0
147.04332	1.1
151.03920	100.0
151.05038	10.5
153.01837	40.1
153.02924	2.6
174.05579	1.2
204.06593	1.2
212.07037	1.5
216.06454	1.0
228.06577	1.3
240.06625	1.2
258.07602	1.1
268.06442	1.3
300.08563	1.9
307.08121	3.1
309.05957	5.1
319.04425	3.5
325.09210	4.1
327.06985	2.1
333.05991	2.5
336.10791	4.4
395.95242	0.9
477.09894	1.8
495.19769	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
55.05487	2.0
57.03444	0.7
57.07051	0.6
62.54268	0.4
67.05515	2.9
69.03432	0.9
69.07034	1.5
70.06583	0.7
71.51804	0.7
74.11214	0.5
79.05489	2.9
81.03397	1.5
81.07068	4.5
83.04974	0.8
83.08629	1.2
91.05489	3.0
93.07053	3.0
95.04981	1.4
95.08586	1.8
97.06512	0.7
97.10174	1.0
103.05470	0.9
105.07018	2.0
105.26208	0.5
107.04955	1.4
107.08575	2.0
109.10139	0.9
118.17635	0.5
119.08553	1.6
121.06487	1.5
121.10159	1.6
123.04419	1.1
123.08067	1.0
123.11665	0.7
125.05924	0.7
125.09635	0.9
129.07005	0.6
131.04930	1.0
131.08583	1.0
133.10136	0.9
135.04405	0.9
135.08049	0.7
135.11681	1.2
140.04710	0.6
147.04398	1.1
147.11658	1.0
149.05971	0.7
149.13298	0.7
151.07538	1.1
153.01820	3.0
153.05461	1.7
159.11649	0.8
161.05922	1.0
163.03879	0.6
165.09076	0.7
167.07057	0.8
168.07825	1.7
181.05191	0.5
193.12204	0.8
203.03404	7.1
229.04959	6.2
241.04951	1.0
242.05690	2.0
257.04477	91.4
258.05191	4.4
270.05060	0.6
271.06042	0.8
285.04025	4.0
286.04721	6.8
287.05511	10.3
297.04047	6.2
299.05493	1.0
314.32553	0.6
341.06339	0.6
403.08173	0.7
406.07208	0.5
421.25281	0.6
465.11792	4.0
477.11853	1.0
477.28192	0.6
480.10663	0.7
495.12915	100.0
496.13123	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	495.0773
Annotation	Myricetin 3-glucuronide
Peak:m/z	Relative Intensity
52.74807	0.2
55.01866	0.5
57.03428	1.1
67.01875	0.4
67.34538	0.2
68.99783	1.1
69.03434	0.7
69.48174	0.5
69.48586	1.6
70.06599	3.6
71.01360	2.2
73.02928	3.6
75.04477	0.3
79.22865	0.3
81.03410	0.3
85.02911	10.2
86.09744	0.3
91.05489	0.3
95.01337	0.9
97.02897	0.8
99.00812	0.6
100.76322	0.3
101.02375	0.5
103.03976	0.6
109.02887	1.0
109.16560	0.2
111.00812	2.4
111.04474	0.2
113.02374	4.3
120.08102	0.4
121.06513	0.8
123.04467	0.3
127.03895	0.9
131.03429	1.7
133.10083	0.3
135.04388	0.3
136.07562	0.5
137.02368	1.9
139.03899	0.8
140.07056	0.3
141.01851	1.7
146.05997	0.5
151.03914	0.5
153.01839	11.1
153.05493	0.3
159.02917	2.1
161.05980	0.3
165.01849	3.9
166.02594	0.6
174.05653	0.3
175.11983	0.3
177.05421	0.8
179.03413	1.8
183.02905	1.1
189.05530	1.2
193.01306	0.3
195.02951	0.7
195.07744	0.3
199.03893	0.7
201.09875	0.8
203.03432	0.7
207.02864	0.7
212.07005	0.4
217.04962	4.1
219.02849	0.4
221.04416	0.4
222.11021	0.3
227.03421	0.7
229.05013	0.5
231.02798	0.3
235.02367	0.4
235.05980	0.5
240.06523	0.4
245.04451	4.9
255.02869	0.7
263.05469	0.9
268.05911	0.3
273.03961	5.3
290.04340	1.2
291.05185	0.3
301.03384	1.3
319.04498	100.0
320.04816	1.6
329.02911	0.3
336.10883	1.0
411.15475	0.4
477.06247	0.3
477.68875	0.7
495.17020	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.05517	24.2
57.03430	4.0
57.06836	2.4
57.07079	35.1
57.55504	2.0
59.04989	3.0
59.20135	2.0
65.03926	3.2
67.05509	88.1
69.06798	2.0
69.07074	23.3
69.64284	2.0
71.04988	4.1
71.08639	21.6
75.32101	2.1
77.11383	2.4
79.05495	33.2
81.03447	4.6
81.07056	47.5
83.04965	8.6
83.08609	19.0
85.06541	5.2
85.10188	15.2
91.05485	19.2
93.07044	42.2
95.04960	6.0
95.08616	37.9
97.06518	7.9
97.10184	14.2
99.08074	3.6
105.07022	3.7
107.04978	2.3
107.08602	26.2
109.10159	46.9
111.08085	2.6
111.11726	2.9
117.07028	3.5
118.66784	2.3
119.08546	9.6
121.10136	7.1
123.11702	7.5
125.05991	3.4
128.30556	2.2
133.10086	5.1
134.22820	2.0
135.11696	41.9
145.10146	8.4
149.13237	2.4
151.14865	2.0
161.13123	2.8
162.04089	2.2
163.11160	4.2
173.11772	7.8
173.13191	2.2
181.12267	8.1
239.23767	7.6
265.25296	2.8
493.30103	12.8
493.38837	100.0
494.38843	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.05516	24.3
57.03430	4.6
57.07082	42.7
62.97185	2.3
65.03930	2.4
67.05510	81.3
69.07071	26.2
71.04990	4.1
71.08636	23.2
71.52084	3.1
79.05503	31.0
81.03429	5.7
81.07060	39.2
83.04980	8.6
83.08622	21.0
85.06543	3.2
85.10168	10.3
91.05483	18.7
93.07052	36.4
95.04985	5.0
95.08618	35.1
95.19588	2.2
97.06531	8.0
97.10171	14.2
103.01092	2.3
103.20296	2.2
105.07033	6.8
107.08607	22.9
109.10161	41.8
111.08101	3.1
117.07037	3.1
119.08566	6.9
121.10175	11.6
123.11742	5.2
133.10130	4.3
135.11690	40.0
137.09599	2.3
145.10112	9.6
147.11716	2.8
163.11191	6.6
173.11787	6.8
177.45227	2.3
181.12245	7.5
223.60097	2.5
239.23779	5.0
265.25262	3.6
367.28122	2.8
379.28195	2.5
493.30191	11.0
493.38901	100.0
494.39227	2.9
498.57251	2.4
512.02692	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	494.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.0
53.03947	4.2
55.01868	2.3
55.05507	1.9
57.03430	0.7
60.99094	0.8
65.03941	0.7
67.05515	3.7
68.99839	0.7
69.03417	2.4
69.07095	1.7
69.81498	3.9
70.06577	1.2
77.03953	0.9
79.05502	2.6
80.54974	0.8
81.03416	2.8
81.07045	3.2
83.04967	1.5
83.08613	1.5
84.04527	0.9
85.02904	1.2
86.09692	0.8
91.05492	15.8
92.05821	1.2
93.06479	1.5
93.07050	21.1
94.07376	1.7
95.04968	4.4
95.08602	1.9
95.43694	0.9
96.08953	1.1
97.02895	1.1
98.09695	2.5
98.20734	0.8
103.05466	13.8
105.04529	2.2
105.07043	4.2
107.04964	3.4
107.08614	1.8
109.06548	1.2
109.10201	1.3
111.04446	1.5
117.07008	1.7
119.08582	2.4
121.06513	100.0
122.06852	1.2
123.04443	6.3
126.05553	1.3
127.03893	0.7
128.06244	1.2
129.07027	1.6
131.04974	2.7
131.08591	1.1
133.06456	1.2
133.10165	1.9
135.06812	2.8
135.08058	0.9
136.07605	2.6
137.06000	1.3
138.05478	0.9
138.09145	1.6
139.03912	20.6
141.07022	1.0
142.07837	0.9
143.08569	1.5
145.06482	2.1
145.10161	2.9
147.11685	5.4
150.05515	4.4
151.03902	6.7
153.01906	0.9
153.05530	1.2
155.08549	1.1
157.10095	1.1
160.07684	0.8
161.05980	2.6
161.09665	1.2
163.03937	4.6
163.11240	0.9
164.07033	3.7
165.05457	1.3
165.09158	0.7
169.10023	0.8
173.09601	0.9
175.11229	1.0
176.07158	1.0
177.09096	0.9
178.12253	1.0
181.04959	1.1
185.09596	1.5
188.07076	1.6
188.10655	0.8
189.09132	9.0
190.08609	0.9
190.12253	7.5
191.10704	1.6
192.10211	1.0
194.11749	1.5
201.09125	1.3
202.12257	1.5
203.10759	1.0
206.11853	1.5
218.11813	3.7
236.12848	2.7
257.04538	4.4
270.11276	4.6
276.20477	0.8
284.12805	8.2
287.05365	0.8
296.12836	2.0
302.10370	1.6
310.18045	3.1
312.15942	5.0
314.17542	2.4
326.10388	1.3
326.17554	5.2
328.15546	2.4
328.19064	0.8
338.17508	10.3
341.14047	1.2
356.14777	1.1
356.18594	12.3
422.15964	14.2
448.21228	3.2
476.20740	34.6
477.21097	1.0
494.21854	20.8
494.28522	2.7
495.12814	5.3
495.22009	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.05516	25.8
57.03429	6.6
57.07080	44.8
65.03961	3.1
67.05507	64.2
69.03436	2.7
69.07068	23.8
71.01379	3.1
71.04974	3.2
71.08631	30.1
71.51650	2.2
79.05496	39.1
81.03430	11.2
81.07066	44.5
83.04996	9.4
83.08615	21.0
85.06544	2.6
85.10191	19.0
87.84403	1.8
91.05472	18.6
93.07047	45.2
93.07991	1.8
95.04981	7.7
95.08614	38.9
96.08929	2.1
97.06554	9.1
97.10181	14.8
99.08127	2.1
105.07047	6.0
107.08616	28.7
109.10165	24.6
112.26974	1.6
117.07030	4.4
119.08554	8.7
121.06548	2.5
121.10172	7.0
123.11735	5.6
125.09646	4.0
125.13226	1.9
131.08629	2.5
131.88225	1.8
133.10182	5.2
134.91492	1.7
135.11700	53.9
137.09641	2.2
137.27650	2.0
145.10130	11.4
147.11703	2.4
163.11238	7.5
173.11690	1.9
181.12189	10.9
239.23647	10.5
246.06502	1.7
288.37250	1.9
493.30276	12.9
493.38934	100.0
494.39319	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	493.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28126	0.8
53.03941	1.3
55.01872	1.0
55.05515	8.8
56.15949	0.9
57.03429	1.4
57.07081	1.2
65.03936	0.9
67.05506	11.7
69.03439	2.9
69.07072	20.9
71.05001	1.5
71.37283	1.6
79.05490	9.0
79.50101	0.7
81.03420	5.4
81.07061	19.8
83.01342	1.1
83.04994	2.7
83.08625	5.3
85.02926	1.2
85.06559	2.2
91.05475	8.8
93.07040	9.4
95.01335	0.9
95.04990	4.6
95.08613	8.5
97.06548	2.4
97.10181	3.8
99.00832	5.9
99.04478	2.4
105.04526	1.0
105.07040	6.9
107.04976	2.5
107.08604	7.7
109.02888	2.0
109.06552	2.1
109.10162	9.8
111.04443	1.2
111.08116	1.9
111.11721	2.6
113.02379	1.5
117.01865	1.2
117.07034	2.5
119.08595	5.1
121.06534	3.2
121.10171	4.2
123.04456	1.5
123.08106	1.4
123.11741	3.0
125.06017	1.5
125.09696	2.8
127.11185	1.0
129.07036	2.3
131.08591	3.5
133.06541	1.3
133.10149	5.9
135.08127	1.5
135.11749	3.0
137.06033	3.3
137.09656	2.1
139.07570	1.8
139.11221	1.5
145.10138	2.8
147.08090	1.5
147.11716	3.3
149.02379	1.3
149.09653	1.4
151.07590	2.9
153.01880	2.8
153.05528	2.2
153.09192	1.0
155.07082	1.7
155.08516	1.0
155.64490	0.8
157.10178	1.2
159.11690	1.8
161.05986	1.8
161.09691	1.2
163.03949	2.4
163.07674	0.9
163.11252	2.5
165.09172	4.6
165.12781	0.8
169.04945	1.0
171.08073	1.1
171.11739	1.0
173.13432	1.0
175.07642	3.0
175.11108	1.7
177.05560	2.5
177.09129	1.4
179.10660	1.4
181.04965	10.4
183.06494	4.1
189.09126	3.8
191.07065	1.2
191.10736	2.0
193.04979	1.0
193.12335	2.5
195.06552	22.1
195.08234	1.6
203.10777	1.6
205.08623	1.4
205.12459	1.1
207.06482	1.4
209.08115	10.3
209.11676	1.2
211.13266	1.1
215.10677	1.2
217.08719	2.0
217.12311	1.0
221.08232	3.3
223.09631	12.4
223.11623	0.9
227.12869	2.2
231.13885	1.2
235.09752	3.2
237.11232	8.2
245.15619	0.9
249.11272	5.2
251.12717	1.9
263.12897	1.7
267.16171	0.9
267.51865	0.8
277.08990	1.1
291.16220	2.0
303.16168	1.5
305.17545	7.0
307.19086	2.3
311.16409	1.3
315.16107	2.2
319.19098	6.0
330.62347	0.8
331.08005	0.9
333.17191	2.3
346.00812	0.8
347.18619	1.1
360.97021	0.8
377.23218	0.8
382.89600	0.8
383.22369	1.7
401.23718	1.6
413.30859	1.1
419.24213	1.0
427.13766	0.9
457.29355	0.8
475.30859	16.1
493.31787	100.0
494.31967	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86126	0.9
53.03929	1.3
54.99762	1.0
55.05268	1.7
55.05517	20.7
57.03448	10.4
57.07085	7.2
64.11590	1.1
67.05186	1.3
67.05513	21.0
69.03398	0.9
69.06728	1.8
69.07074	22.9
71.05001	1.4
71.08634	5.0
71.51379	1.7
77.74323	1.0
79.05498	9.7
81.03409	1.3
81.06591	1.5
81.07059	21.7
83.04968	1.5
83.08628	17.8
85.06523	1.8
85.10161	2.1
91.05482	3.3
93.07058	8.7
95.08614	20.8
97.06557	2.8
97.10184	10.6
98.98475	53.8
99.08154	1.1
105.07034	2.5
105.36974	1.0
107.08596	6.6
109.10167	11.5
111.08073	3.0
111.11708	3.0
113.09644	1.0
117.07012	1.5
119.08605	2.1
121.10160	10.7
123.11716	2.5
125.09609	1.7
128.31313	1.1
131.08562	0.9
133.10081	1.5
135.11693	8.3
137.00021	4.8
137.13272	1.5
149.13307	5.1
155.01053	49.7
160.26596	1.0
171.11667	1.2
177.16412	1.1
183.11649	1.2
193.02631	1.5
211.03795	2.3
223.81436	1.2
229.04811	2.4
247.24260	2.9
252.03119	1.3
265.25296	7.7
292.43723	1.1
320.19531	1.1
339.28970	100.0
340.29178	1.9
384.37457	1.1
400.28323	1.1
473.78519	1.2
475.28174	14.5
493.38336	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	493.2815
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03939	0.8
55.05510	4.1
57.05814	0.8
58.73409	0.3
65.03967	0.3
65.99376	0.3
67.05486	0.8
69.07076	0.7
69.17966	1.3
69.18389	1.8
70.06580	0.3
72.08159	46.9
79.05511	0.7
81.03426	0.7
81.07069	1.3
83.04967	0.5
83.08628	0.4
91.05488	1.1
93.07046	1.7
95.08624	0.4
100.07606	0.5
103.05460	2.3
103.18320	0.4
105.07037	1.0
107.08575	0.6
109.10139	0.4
117.07012	0.4
120.08110	100.0
121.08420	0.6
131.08611	0.4
157.10100	0.4
163.16061	0.4
171.14938	6.3
174.12799	2.8
195.40340	0.3
199.12689	0.5
199.14439	6.6
219.14937	17.3
222.12738	0.7
247.14436	21.0
267.14920	8.4
273.19598	1.1
273.65338	0.4
275.13504	0.4
295.11105	0.7
295.14420	11.9
301.19058	3.3
321.19513	0.8
346.21252	6.2
349.19104	2.1
377.07333	0.3
394.21240	4.3
408.75220	0.3
422.20480	0.4
437.35083	0.3
437.42441	0.4
448.26053	0.5
465.28799	0.9
493.27707	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42891	6.1
53.03943	12.9
55.01887	12.3
55.05512	51.8
57.03434	28.2
57.07063	5.3
63.23102	5.4
66.81244	5.2
67.05506	85.7
69.03420	43.9
69.07079	35.8
71.04996	9.5
71.50947	7.9
73.02937	8.3
79.05499	70.3
81.03414	57.6
81.07068	97.3
83.05004	14.8
83.08624	15.3
85.02912	28.8
85.06511	6.0
91.05486	90.3
93.07045	60.6
95.04980	21.8
95.08611	53.3
97.02913	29.2
97.06544	14.7
97.10175	10.6
99.04455	8.8
99.08125	5.4
103.03954	6.2
103.05479	5.8
105.06392	7.9
105.07039	71.2
107.04947	19.4
107.08605	43.0
109.02880	22.5
109.06519	16.8
109.10166	24.0
111.08098	6.1
115.05489	6.9
117.07025	39.9
119.07853	6.5
119.08590	44.3
121.06506	11.7
121.10166	28.2
123.04453	7.5
123.08071	9.8
123.11764	8.9
125.09608	7.1
127.03943	16.6
129.05486	6.7
129.07036	33.1
130.07854	6.8
131.04976	7.8
131.08577	42.5
133.06467	10.5
133.10152	46.6
135.08124	9.7
135.11711	14.3
137.09639	8.2
141.06990	10.3
143.08569	23.5
145.06470	11.1
145.10147	48.3
147.08067	15.0
147.11681	21.4
149.09561	14.1
149.13219	9.9
155.08559	21.0
157.06465	7.8
157.10138	26.1
159.08022	10.5
159.11731	30.0
161.06161	5.1
161.09689	9.4
161.13284	7.7
163.11147	8.7
165.06978	5.9
167.08569	7.6
169.10059	9.3
171.08125	8.0
171.11693	21.3
173.09676	10.8
173.13293	16.9
177.12761	7.0
179.08633	5.8
181.10106	10.1
183.11731	10.8
185.09653	7.3
187.11302	8.7
195.11694	5.8
197.13290	13.1
199.11121	9.3
239.18086	14.6
257.19000	19.6
275.20093	34.3
299.20239	7.0
323.20407	6.3
329.21201	6.6
331.22659	11.4
349.23682	9.4
352.25769	9.5
373.23663	8.7
401.22913	12.5
439.24908	7.0
457.25635	10.3
475.27054	23.6
493.27875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00267	0.2
55.22778	0.3
67.05466	0.3
69.03410	0.5
71.15189	0.6
76.83024	0.2
79.05456	0.5
81.03370	0.3
81.07011	0.4
84.08135	0.3
85.02847	0.5
89.77641	0.2
91.05420	0.6
93.07028	0.4
95.04951	0.3
95.08564	0.5
99.04446	0.3
103.05418	0.5
105.06960	0.4
107.08536	0.4
109.10062	0.3
121.06496	0.4
121.10154	0.5
122.03629	0.4
130.55251	0.3
131.04868	0.5
131.08527	0.5
133.10086	0.3
135.07991	0.2
135.11610	0.3
137.05994	5.9
139.03825	0.3
149.05946	0.5
151.03894	0.5
151.07536	1.9
153.01814	1.3
161.05974	0.3
163.07501	0.9
175.07489	0.4
178.02596	0.3
181.09909	0.3
189.09048	0.5
191.10533	0.3
195.08018	0.3
214.06436	0.3
227.10616	0.5
242.05829	2.6
255.10091	0.5
258.05176	1.7
270.05243	10.7
271.05734	0.5
273.03967	1.1
273.94360	0.3
286.04742	1.2
287.05515	5.3
287.12772	0.9
298.04712	0.8
299.05505	0.8
301.03403	2.0
302.04199	2.8
313.03439	1.4
315.04999	42.1
316.01944	0.5
316.05762	13.2
331.08136	100.0
332.08560	1.9
398.64771	0.2
493.20020	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.01872	1.5
55.05508	2.5
56.05013	1.4
57.03432	1.2
65.03945	1.7
67.05510	5.3
67.22075	1.0
69.03424	3.7
70.06593	3.0
70.53026	1.0
71.04970	1.1
71.51450	1.2
71.51812	1.4
74.06055	1.4
79.01850	6.3
79.05501	9.4
81.03419	1.4
81.07047	3.4
83.04977	2.0
85.06525	1.4
86.09686	3.4
86.43834	1.2
91.05472	10.5
93.07047	41.1
94.06573	1.4
95.04974	8.3
95.08636	5.6
97.02892	2.5
103.05446	1.9
105.04489	1.3
105.07031	7.3
107.08598	5.7
109.02862	1.9
109.06537	1.1
109.10181	1.6
111.04452	2.4
117.06995	1.4
119.08636	2.6
120.08080	2.2
121.02903	1.7
121.06480	6.5
121.10146	53.4
123.04419	2.0
123.08057	2.4
124.04741	1.2
125.02347	5.1
127.03900	3.6
131.08609	2.0
133.10181	1.6
135.08006	1.3
135.58435	1.3
137.05978	1.6
137.09593	2.4
139.03915	7.2
143.03377	6.1
143.08469	1.4
146.11760	1.6
149.02341	2.3
149.09621	10.3
151.03914	3.5
152.07071	2.3
153.01839	100.0
153.02937	6.2
154.02176	1.3
159.04436	1.6
161.09631	2.2
163.07533	4.9
164.07068	1.3
165.09111	2.2
167.10677	2.2
171.02881	3.4
177.05527	2.8
179.03407	22.6
183.02872	2.2
191.07062	1.3
205.04976	2.3
213.68346	1.1
245.08038	1.3
247.16455	1.8
255.10091	2.3
273.11154	2.8
276.23096	1.5
277.23465	1.7
283.09671	4.9
301.10736	15.3
305.13809	1.6
309.05994	4.7
312.25018	1.2
327.07068	11.3
331.09061	2.6
353.11255	1.4
398.21707	1.1
475.16141	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	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92315	1.9
53.03938	2.5
55.05508	5.5
57.03436	2.7
60.04519	2.8
65.28080	1.7
67.05505	4.0
67.42294	2.3
69.03452	3.1
69.07080	4.0
70.06596	5.4
70.28706	6.9
74.48196	1.8
79.05499	10.5
81.03428	3.6
81.07059	17.7
83.04993	2.5
83.08651	2.0
85.02912	5.1
91.05500	7.3
93.07054	11.4
95.04980	5.9
95.08603	7.1
97.02888	4.0
97.06545	5.3
102.11676	2.0
105.01855	3.1
105.07040	10.4
107.08601	29.7
109.02885	3.7
109.06511	3.6
109.10211	2.4
111.08102	2.2
115.18058	2.0
119.08592	6.0
120.08169	3.1
121.06516	6.8
121.10157	24.2
123.08062	4.3
124.03975	7.4
127.03944	5.5
127.45959	2.3
130.06540	1.9
131.08620	3.8
133.06450	3.7
133.10133	7.7
135.08098	4.5
137.05986	6.5
137.09695	2.0
138.09126	4.9
147.04407	3.7
147.08028	4.1
147.11725	3.9
149.09596	7.0
151.03897	5.0
151.07571	4.7
152.04224	2.3
153.01872	5.5
153.05482	2.7
161.13240	9.7
163.07564	3.4
163.11227	2.7
163.14818	3.0
165.05528	4.2
166.06334	2.6
166.08652	12.9
168.07837	6.1
173.13321	4.2
177.09222	2.6
178.09970	12.5
179.07094	4.5
179.14326	62.6
179.15848	4.1
181.08617	11.9
185.63547	2.0
191.14352	6.7
194.09363	11.0
207.13834	2.6
209.11752	100.0
209.15329	8.9
268.08005	2.3
270.05261	4.3
281.13815	3.9
287.05374	2.7
315.04926	22.7
315.08060	2.2
316.05823	2.7
330.10455	2.6
330.26273	2.7
331.08163	67.4
350.86893	2.0
365.16052	3.1
474.16980	2.1
485.69531	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1346
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
67.05473	0.1
69.03392	0.2
70.64056	0.4
95.04946	0.4
131.15376	0.1
136.01558	0.2
137.05949	0.3
150.03047	0.2
153.01854	0.8
154.02586	0.3
171.84296	0.2
178.02591	0.5
197.65607	0.1
241.04878	0.2
242.05740	1.9
258.05234	1.8
269.04578	0.3
270.05240	8.6
273.03842	1.0
285.03989	0.1
286.04663	1.4
287.05505	3.8
297.63416	0.1
299.05365	0.7
301.03455	1.8
302.04150	2.2
313.03470	0.8
315.04987	32.9
316.05743	4.5
331.08118	100.0
332.08499	1.4
335.10727	0.2
353.11172	0.2
486.90604	0.2
493.13126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92315	1.9
53.03938	2.5
55.05508	5.5
57.03436	2.7
60.04519	2.8
65.28080	1.7
67.05505	4.0
67.42294	2.3
69.03452	3.1
69.07080	4.0
70.06596	5.4
70.28706	6.9
74.48196	1.8
79.05499	10.5
81.03428	3.6
81.07059	17.7
83.04993	2.5
83.08651	2.0
85.02912	5.1
91.05500	7.3
93.07054	11.4
95.04980	5.9
95.08603	7.1
97.02888	4.0
97.06545	5.3
102.11676	2.0
105.01855	3.1
105.07040	10.4
107.08601	29.7
109.02885	3.7
109.06511	3.6
109.10211	2.4
111.08102	2.2
115.18058	2.0
119.08592	6.0
120.08169	3.1
121.06516	6.8
121.10157	24.2
123.08062	4.3
124.03975	7.4
127.03944	5.5
127.45959	2.3
130.06540	1.9
131.08620	3.8
133.06450	3.7
133.10133	7.7
135.08098	4.5
137.05986	6.5
137.09695	2.0
138.09126	4.9
147.04407	3.7
147.08028	4.1
147.11725	3.9
149.09596	7.0
151.03897	5.0
151.07571	4.7
152.04224	2.3
153.01872	5.5
153.05482	2.7
161.13240	9.7
163.07564	3.4
163.11227	2.7
163.14818	3.0
165.05528	4.2
166.06334	2.6
166.08652	12.9
168.07837	6.1
173.13321	4.2
177.09222	2.6
178.09970	12.5
179.07094	4.5
179.14326	62.6
179.15848	4.1
181.08617	11.9
185.63547	2.0
191.14352	6.7
194.09363	11.0
207.13834	2.6
209.11752	100.0
209.15329	8.9
268.08005	2.3
270.05261	4.3
281.13815	3.9
287.05374	2.7
315.04926	22.7
315.08060	2.2
316.05823	2.7
330.10455	2.6
330.26273	2.7
331.08163	67.4
350.86893	2.0
365.16052	3.1
474.16980	2.1
485.69531	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92315	1.9
53.03938	2.5
55.05508	5.5
57.03436	2.7
60.04519	2.8
65.28080	1.7
67.05505	4.0
67.42294	2.3
69.03452	3.1
69.07080	4.0
70.06596	5.4
70.28706	6.9
74.48196	1.8
79.05499	10.5
81.03428	3.6
81.07059	17.7
83.04993	2.5
83.08651	2.0
85.02912	5.1
91.05500	7.3
93.07054	11.4
95.04980	5.9
95.08603	7.1
97.02888	4.0
97.06545	5.3
102.11676	2.0
105.01855	3.1
105.07040	10.4
107.08601	29.7
109.02885	3.7
109.06511	3.6
109.10211	2.4
111.08102	2.2
115.18058	2.0
119.08592	6.0
120.08169	3.1
121.06516	6.8
121.10157	24.2
123.08062	4.3
124.03975	7.4
127.03944	5.5
127.45959	2.3
130.06540	1.9
131.08620	3.8
133.06450	3.7
133.10133	7.7
135.08098	4.5
137.05986	6.5
137.09695	2.0
138.09126	4.9
147.04407	3.7
147.08028	4.1
147.11725	3.9
149.09596	7.0
151.03897	5.0
151.07571	4.7
152.04224	2.3
153.01872	5.5
153.05482	2.7
161.13240	9.7
163.07564	3.4
163.11227	2.7
163.14818	3.0
165.05528	4.2
166.06334	2.6
166.08652	12.9
168.07837	6.1
173.13321	4.2
177.09222	2.6
178.09970	12.5
179.07094	4.5
179.14326	62.6
179.15848	4.1
181.08617	11.9
185.63547	2.0
191.14352	6.7
194.09363	11.0
207.13834	2.6
209.11752	100.0
209.15329	8.9
268.08005	2.3
270.05261	4.3
281.13815	3.9
287.05374	2.7
315.04926	22.7
315.08060	2.2
316.05823	2.7
330.10455	2.6
330.26273	2.7
331.08163	67.4
350.86893	2.0
365.16052	3.1
474.16980	2.1
485.69531	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92315	1.9
53.03938	2.5
55.05508	5.5
57.03436	2.7
60.04519	2.8
65.28080	1.7
67.05505	4.0
67.42294	2.3
69.03452	3.1
69.07080	4.0
70.06596	5.4
70.28706	6.9
74.48196	1.8
79.05499	10.5
81.03428	3.6
81.07059	17.7
83.04993	2.5
83.08651	2.0
85.02912	5.1
91.05500	7.3
93.07054	11.4
95.04980	5.9
95.08603	7.1
97.02888	4.0
97.06545	5.3
102.11676	2.0
105.01855	3.1
105.07040	10.4
107.08601	29.7
109.02885	3.7
109.06511	3.6
109.10211	2.4
111.08102	2.2
115.18058	2.0
119.08592	6.0
120.08169	3.1
121.06516	6.8
121.10157	24.2
123.08062	4.3
124.03975	7.4
127.03944	5.5
127.45959	2.3
130.06540	1.9
131.08620	3.8
133.06450	3.7
133.10133	7.7
135.08098	4.5
137.05986	6.5
137.09695	2.0
138.09126	4.9
147.04407	3.7
147.08028	4.1
147.11725	3.9
149.09596	7.0
151.03897	5.0
151.07571	4.7
152.04224	2.3
153.01872	5.5
153.05482	2.7
161.13240	9.7
163.07564	3.4
163.11227	2.7
163.14818	3.0
165.05528	4.2
166.06334	2.6
166.08652	12.9
168.07837	6.1
173.13321	4.2
177.09222	2.6
178.09970	12.5
179.07094	4.5
179.14326	62.6
179.15848	4.1
181.08617	11.9
185.63547	2.0
191.14352	6.7
194.09363	11.0
207.13834	2.6
209.11752	100.0
209.15329	8.9
268.08005	2.3
270.05261	4.3
281.13815	3.9
287.05374	2.7
315.04926	22.7
315.08060	2.2
316.05823	2.7
330.10455	2.6
330.26273	2.7
331.08163	67.4
350.86893	2.0
365.16052	3.1
474.16980	2.1
485.69531	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.05489	1.8
57.07075	1.4
58.99582	1.5
61.02907	1.4
67.05487	2.1
69.03436	36.9
69.07067	2.9
69.46179	4.5
71.04983	1.0
76.02232	4.6
79.05489	2.1
81.03432	0.9
81.07058	4.1
83.04970	2.8
83.08591	1.3
85.02908	8.7
85.06545	1.6
86.99060	0.8
87.04471	0.7
91.05470	2.4
93.07066	4.5
95.08605	8.8
97.02888	3.0
97.06517	2.8
98.20795	1.2
100.02245	0.8
105.00076	1.5
105.07043	3.3
107.08608	10.9
109.02899	1.2
109.06531	4.9
109.10146	2.0
109.51321	0.6
111.08096	3.0
119.08594	3.7
121.06520	3.1
121.10152	11.2
122.02740	22.3
123.08053	2.3
123.11723	6.1
125.09641	17.9
127.03900	1.1
131.08586	5.5
133.10121	4.4
135.08044	8.3
135.11694	4.8
137.09607	0.8
137.13193	0.6
139.03905	1.1
143.08636	1.0
145.04979	1.7
145.10170	3.3
147.11687	2.2
149.09619	8.7
149.13257	2.6
151.11143	1.5
153.01894	0.9
153.09105	7.6
158.10945	2.9
158.80978	0.7
163.11176	2.0
163.14828	4.9
164.03789	0.9
165.12772	2.6
167.05290	1.4
167.10692	1.9
173.13264	19.7
173.14706	1.1
176.12038	0.8
191.14317	67.1
192.14746	1.1
197.09972	1.0
209.15379	100.0
210.15610	0.6
223.11508	3.3
241.12555	5.7
248.05957	0.8
330.17334	8.9
375.23810	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.6
55.01873	5.3
55.05521	4.1
67.05503	7.5
69.03429	14.5
69.07088	6.7
70.06595	7.9
71.50587	3.9
72.08160	10.3
79.05495	8.2
81.03438	6.5
81.07064	15.4
85.02911	25.2
87.00835	9.0
87.04465	9.2
91.05509	10.8
93.07055	24.3
95.04974	6.9
95.08628	4.8
97.02898	9.5
97.06590	3.3
99.04445	4.3
101.56648	3.1
105.01881	6.7
105.07021	10.3
107.05038	2.8
107.08602	11.9
109.02891	6.5
109.06529	9.2
109.10130	3.4
114.78629	3.2
119.04961	4.0
119.08567	13.3
121.06521	37.0
121.10157	44.3
122.02754	3.9
123.04459	4.8
123.08073	5.0
123.11724	63.1
127.03933	13.9
131.08589	6.7
133.10184	13.7
137.05980	4.4
137.09581	3.0
138.05521	5.4
139.03929	4.1
139.11160	6.8
145.02885	4.4
145.04950	6.2
145.10127	4.2
147.04482	7.2
147.11673	14.4
149.09637	21.9
149.13306	4.4
151.11194	31.3
153.01878	12.4
153.09100	4.8
156.06628	3.7
161.09624	4.0
165.12807	5.4
167.10687	65.3
173.13274	10.3
176.10759	12.4
177.05513	15.5
184.06151	6.2
191.14346	13.4
205.04964	3.6
207.06656	4.5
209.08028	3.4
209.13708	3.2
209.15327	16.0
227.16441	100.0
241.12715	4.1
364.59476	2.8
492.20401	7.8
492.29568	10.6
492.37198	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	492.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
53.52236	0.9
55.05506	2.2
57.03445	1.8
61.02939	1.4
61.08403	1.1
67.05517	5.6
69.03435	14.2
69.07069	4.2
71.04990	1.8
71.50569	0.9
71.50963	1.2
71.71163	1.0
78.03462	4.8
79.05501	5.3
80.05000	1.3
81.03419	7.7
81.07063	8.9
83.04965	1.5
85.02904	6.0
85.06528	0.9
86.32823	1.0
87.00822	1.9
91.05482	4.3
93.07050	7.0
93.07553	0.9
95.04952	4.7
95.08610	4.6
96.04488	11.9
97.02876	5.7
97.06538	1.4
99.04480	3.0
101.83773	1.0
105.01839	1.4
105.07040	10.9
106.02921	16.8
107.08594	13.3
109.02885	4.1
109.06541	3.7
109.10160	2.6
111.08086	1.2
117.07042	1.3
119.08593	6.6
121.06522	3.5
121.10148	7.8
122.07339	1.1
123.04425	3.7
123.08078	2.4
124.03960	100.0
125.09646	1.1
127.03938	6.6
131.08578	1.6
133.06488	1.8
133.10136	10.7
135.08049	2.0
135.11728	1.9
137.05981	3.1
137.09641	7.1
139.11185	3.1
145.04927	1.1
147.08051	1.1
147.11732	5.4
149.09639	1.1
149.13377	1.2
151.07565	1.3
153.01840	1.7
159.11728	1.4
161.13249	4.5
163.11177	2.6
163.14790	1.5
166.05072	1.2
171.11681	1.5
179.14293	9.6
189.12695	5.4
191.14310	4.6
207.13782	10.3
209.15337	4.7
225.14865	1.6
231.05016	1.1
232.05928	2.4
250.07156	16.9
268.08179	38.6
270.05273	1.4
286.09222	21.3
299.16580	1.1
315.04929	6.6
316.05423	1.6
331.04617	0.9
331.08112	19.9
492.22397	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	492.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.5
57.03421	1.7
58.13911	1.7
62.66578	1.6
65.03912	1.7
67.05502	3.8
67.79884	1.5
68.00204	1.8
68.99776	6.3
69.03435	10.7
70.05561	7.5
70.06595	4.8
79.01870	3.3
81.07052	2.3
83.04995	4.1
85.02917	4.1
91.05486	6.6
93.03386	2.5
93.07057	3.2
95.04964	3.0
97.02902	1.9
98.97543	2.0
101.00889	2.1
103.05463	4.2
107.04987	3.4
108.88789	1.7
109.02892	2.3
111.04442	7.7
115.05499	1.9
116.07130	2.4
119.04959	3.9
121.06509	48.5
122.06900	1.8
123.04435	25.7
127.03939	2.8
128.06268	1.9
129.07014	2.1
131.04959	4.9
137.05968	16.3
138.05496	1.9
138.09138	14.1
139.03911	100.0
141.06970	5.5
143.03372	1.8
145.06371	2.1
147.04411	5.8
149.06006	4.8
151.03929	23.7
153.01837	28.8
153.02982	3.0
153.05479	6.9
153.06982	4.7
154.02213	2.8
154.08635	5.0
157.06483	3.6
159.08098	1.8
161.05977	6.8
163.03911	49.3
164.04268	1.9
164.07089	2.8
165.05495	17.4
165.06926	3.3
167.08539	2.4
169.05092	3.7
169.06537	7.6
171.08238	2.2
173.05975	8.4
175.03961	6.2
175.07590	6.3
176.06993	1.7
177.05495	10.7
179.03410	4.1
181.04955	8.6
181.06526	6.6
185.05989	10.1
186.66174	1.8
187.07559	6.5
189.05545	14.0
191.07057	4.8
191.14262	2.1
193.04845	2.0
195.08109	4.4
197.06012	12.5
199.07544	6.4
201.05507	4.8
202.08658	2.1
203.07062	7.7
209.06075	2.3
209.15382	1.7
211.07573	5.8
213.05460	17.6
214.08583	2.6
215.07082	8.9
217.04901	2.7
219.06456	2.1
223.03983	3.5
223.07588	3.2
225.05527	4.6
227.07027	9.2
229.05032	5.4
229.08597	2.6
230.08134	6.7
231.06505	12.0
235.07535	1.7
237.05475	3.7
239.07019	4.8
241.04945	14.0
241.08705	2.2
242.08102	5.6
243.06496	11.6
245.04538	3.6
245.08224	2.7
251.07039	3.1
253.05006	6.3
254.08139	2.4
255.06473	3.9
256.09799	3.3
257.08060	4.7
258.07700	3.8
259.06064	13.0
260.09235	2.2
262.10699	2.0
265.08749	2.2
268.09515	2.0
269.08081	7.7
270.07635	5.3
271.05984	17.4
276.08682	38.1
277.09079	1.7
283.06216	3.4
288.08676	27.7
292.61588	1.8
300.08609	2.4
353.10431	2.3
377.10223	4.2
393.10629	2.3
395.11243	39.3
396.10989	2.1
403.07962	2.0
412.13882	15.1
413.12305	6.5
416.29175	1.8
421.08981	3.3
430.14972	9.5
438.11765	11.0
439.10410	3.6
456.13010	18.1
474.13837	27.3
492.15039	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	491.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
55.05516	4.1
63.50951	1.6
65.03954	2.7
67.05504	5.3
67.82157	1.6
69.03433	7.5
69.07063	5.6
70.16446	6.2
71.04993	1.8
74.02275	1.3
79.05500	5.5
80.60967	1.5
81.03415	6.2
81.07072	10.4
83.04966	2.4
85.02910	4.1
85.06525	1.6
91.05474	6.4
92.18383	1.5
92.41519	1.5
92.97354	1.5
93.07043	8.4
95.04978	6.1
95.08616	3.9
97.02902	3.5
97.06534	1.6
99.04444	1.9
105.07023	8.5
107.04939	3.1
107.08584	14.2
109.02879	2.9
109.06516	4.7
109.10157	8.4
111.02014	1.7
117.07011	3.1
119.08589	6.6
121.02873	100.0
121.06487	4.6
121.10152	12.5
122.07285	4.2
123.08033	1.8
123.11777	2.1
125.09604	3.6
127.03883	1.7
131.08571	3.6
133.10139	81.2
135.08044	7.2
135.11734	2.3
137.06036	1.9
137.09624	38.6
137.10608	2.9
139.03914	14.8
145.10081	3.1
147.11655	3.8
149.09573	1.7
149.13301	9.2
151.07530	3.2
151.11150	1.5
153.01799	1.9
161.09592	3.2
165.09077	2.4
173.13223	3.6
191.14301	27.8
195.06522	1.9
209.15376	4.3
212.15726	1.7
254.74966	1.6
265.07013	7.3
283.08087	11.4
320.81778	1.8
491.20459	1.7
491.27530	3.5
497.79272	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	15.4
55.01852	11.6
55.05502	19.0
57.07079	5.9
66.22056	5.3
67.05506	47.8
69.03432	77.6
69.07069	29.9
70.06575	9.1
71.05003	10.9
71.50547	8.8
71.50937	6.8
79.05486	44.3
81.03412	23.0
81.07050	62.3
83.04964	17.5
83.08643	13.9
85.02896	17.0
85.06544	10.4
91.05479	26.9
93.07048	38.0
95.04957	22.9
95.08615	42.3
97.02878	16.8
97.06537	13.6
97.10159	9.8
105.02734	8.2
105.03401	96.7
105.07043	43.7
107.04935	18.6
107.08597	28.7
109.02856	9.5
109.06522	21.2
109.10153	31.0
111.04426	6.7
111.08076	12.0
117.06976	6.6
119.08583	32.7
121.02843	12.6
121.06499	22.7
121.10178	36.2
123.04462	30.1
123.08073	16.3
123.11699	9.3
124.08182	6.0
125.09610	17.2
127.03931	8.0
129.06995	8.6
131.08553	11.7
133.06459	10.5
133.10135	58.3
135.08070	11.8
135.11702	7.2
137.05971	16.0
137.09621	37.0
139.03909	11.2
139.11211	34.2
143.08563	6.7
145.10136	10.6
147.04413	6.6
147.08055	13.5
147.11670	22.4
149.06001	8.2
149.09642	11.4
149.13284	7.2
151.03902	10.0
151.07549	36.8
153.01822	16.1
153.05499	6.5
153.73891	5.7
155.08597	7.4
156.09338	6.0
159.11688	11.3
161.09596	8.6
161.13284	13.6
163.07506	5.8
163.11191	12.1
165.05321	7.5
165.09137	34.0
171.11659	16.5
174.10391	9.7
185.09630	6.6
189.12758	44.2
191.10693	11.2
191.14302	6.6
198.69087	5.8
207.13818	100.0
225.14874	24.5
229.71001	5.9
233.13336	7.3
247.13219	6.6
249.07611	16.2
267.08646	8.0
459.27368	16.5
491.29846	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	490.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09200	2.9
50.37252	2.5
53.03945	6.3
55.05508	14.5
57.07061	5.0
61.38419	2.2
65.03938	5.2
67.05512	28.3
68.05026	18.8
69.03411	3.9
69.07067	13.3
69.08028	2.4
70.06597	63.4
75.01335	2.4
75.58604	2.6
77.03949	2.5
77.81831	2.6
79.05498	34.2
80.05002	10.6
81.07068	47.0
82.06589	11.9
83.08602	4.7
84.08118	3.9
85.06533	4.8
91.05483	51.5
93.06494	3.0
93.07051	49.4
94.06593	4.2
95.04980	36.7
95.08604	24.5
96.08141	14.7
98.06031	3.1
100.07623	52.1
103.05461	6.8
105.04527	3.8
105.07036	97.5
106.06548	5.5
107.08598	35.7
108.08108	12.3
108.42868	2.9
109.10163	19.9
111.08000	2.8
114.05545	25.9
115.05457	6.4
116.07085	16.8
117.07034	22.1
118.51926	2.3
119.06013	2.7
119.08592	80.1
120.08167	13.9
121.06519	5.0
121.10148	45.1
122.09650	6.4
123.11710	5.9
126.09153	2.9
128.06189	12.2
128.07076	71.3
129.06996	21.6
130.07787	10.5
131.08582	43.6
132.08122	3.0
133.09029	3.8
133.10136	30.8
134.09642	5.9
135.08067	4.6
135.11703	16.5
136.11275	5.7
137.09587	2.8
139.07538	2.7
140.06995	3.8
141.06995	13.5
142.07745	17.7
142.08694	4.2
143.08572	49.3
144.08141	3.2
144.09314	9.2
145.10127	77.2
146.09618	6.1
146.72591	2.7
147.11693	20.8
148.11215	29.2
149.13242	2.7
153.06998	4.4
154.08696	33.9
155.08537	13.8
156.09352	17.2
157.10139	46.5
158.09702	4.4
158.10941	8.9
159.11708	22.4
160.11255	8.1
161.13272	7.8
162.12730	5.3
163.11195	3.1
164.07063	4.5
165.07001	5.9
167.08540	7.1
168.10385	14.3
169.10117	32.6
170.10939	7.5
171.11676	26.0
172.11211	7.4
173.13263	14.7
174.12784	8.2
175.14787	8.1
178.08617	10.7
179.08533	8.6
181.08676	2.8
181.09964	12.8
182.10840	4.4
183.11703	30.1
185.13257	7.8
186.12788	5.2
187.14868	4.1
192.10194	4.7
193.10120	4.6
194.11914	33.6
195.11748	16.2
196.12442	5.8
197.13304	13.8
199.14842	6.3
200.14316	4.6
201.16470	4.2
206.11717	8.1
207.11736	5.9
208.12552	3.6
209.13348	24.9
210.12737	3.4
211.14842	16.2
212.14276	4.0
214.15977	4.2
216.10176	3.8
218.11748	11.2
220.13240	8.5
221.13293	5.9
223.14926	5.4
226.15901	8.0
230.11700	5.3
231.11772	3.9
232.13310	5.0
233.13329	5.1
235.14838	6.2
237.16368	7.6
239.17874	3.2
244.13336	6.0
256.13376	4.6
258.14914	8.0
259.15671	5.0
260.16397	17.1
261.16254	2.8
265.19498	4.1
270.14957	3.4
271.15677	7.1
274.18216	3.2
275.18063	4.7
283.20328	3.0
284.16486	8.2
291.21207	3.8
314.20935	3.0
357.25784	5.3
380.25870	61.3
398.26917	92.0
399.27307	3.5
411.27542	3.1
426.48090	3.0
439.73660	2.7
472.32373	68.4
490.33633	100.0
519.57715	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	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56214	1.8
55.05514	12.2
64.70510	1.6
67.05499	2.5
67.83670	2.0
69.29005	14.8
70.06606	2.1
71.11992	1.6
73.06565	6.5
81.03410	2.6
81.07057	1.9
85.02908	3.6
89.31760	1.5
91.05478	1.8
93.07034	2.3
95.08631	2.1
119.08595	2.4
120.25446	1.5
121.02891	2.9
123.08083	4.9
131.08594	2.2
149.02354	100.0
153.01845	1.8
161.06010	3.4
175.07553	11.7
189.12720	2.5
203.07014	15.3
207.13947	2.1
212.39584	1.7
221.08125	6.3
225.14882	2.4
275.12830	6.3
293.13876	39.8
434.36380	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.05517	12.1
67.05505	3.9
69.03424	3.7
70.04092	13.9
70.04436	2.4
70.06596	38.2
71.50830	2.8
73.06543	8.6
79.05489	5.0
81.03435	2.8
81.07053	4.5
83.04993	3.4
84.83127	1.9
85.02890	6.5
89.46928	2.2
91.05478	6.5
93.07014	6.5
95.04959	6.9
95.08604	3.6
97.06532	3.2
98.06040	3.1
105.07044	4.0
107.08564	4.3
109.02898	3.0
116.07098	65.4
117.16560	2.1
121.02887	2.3
121.06500	4.8
121.10175	2.6
127.03931	3.7
127.51556	2.0
133.10158	2.5
137.06013	5.2
139.03931	2.8
140.07031	2.1
145.02866	5.7
147.11713	4.1
149.02356	100.0
151.03856	3.0
153.01820	13.7
154.02170	6.3
155.25912	2.2
165.12729	2.7
175.07542	7.0
177.05507	11.3
203.07059	9.9
209.15395	2.6
221.08047	12.9
249.36604	2.3
266.17535	2.3
279.01730	2.1
293.13824	29.9
313.88821	2.3
425.63586	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2852
Annotation	Dihydrowithanolide E
Peak:m/z	Relative Intensity
55.01872	1.8
55.05503	6.2
57.03421	1.6
59.52993	1.7
67.05515	12.0
69.03430	10.7
69.07060	5.3
70.06577	1.7
70.59203	3.0
71.76187	1.5
79.05491	8.8
81.03394	1.7
81.07068	16.2
83.08627	2.5
87.04465	3.5
91.05479	6.3
93.07062	11.7
95.04991	3.8
95.08617	16.7
99.00819	7.1
99.04462	2.5
105.07011	8.6
107.08587	7.6
109.06513	2.1
109.10156	10.0
113.02389	1.7
115.03952	2.6
117.07022	2.6
119.08589	8.5
121.10139	5.4
123.04420	1.6
123.08060	1.8
123.11728	5.1
125.09626	4.0
126.84808	1.5
131.08591	3.3
133.10146	3.5
135.11700	5.3
137.05946	2.3
139.07538	11.8
143.08591	2.3
145.10126	4.4
147.11693	3.1
147.82983	1.3
149.05959	1.5
151.07535	2.2
153.05524	2.5
155.01108	2.0
157.10172	2.5
159.11797	1.8
161.13239	3.6
163.03954	2.1
163.07558	2.0
163.11215	5.0
165.09158	1.8
171.07944	1.8
171.11656	1.7
175.07553	1.8
177.05461	5.8
181.04955	8.1
181.12192	2.9
183.06677	3.6
189.09137	10.9
193.12254	2.5
195.06551	19.8
209.08076	11.2
215.03883	1.7
221.08165	1.9
223.09673	19.3
227.12668	7.3
235.09537	2.6
237.11198	14.2
249.11255	10.9
251.12671	2.0
263.12912	3.3
291.16086	2.9
333.20590	1.7
347.54538	1.5
359.22351	4.0
435.25253	2.2
453.26398	4.1
471.27448	27.6
489.28497	100.0
490.28867	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3575
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03942	2.4
55.01860	2.6
55.05521	18.7
57.03430	3.5
57.07064	2.1
59.04990	2.7
67.05510	87.4
69.07074	11.9
71.04992	4.0
75.85137	1.1
79.05495	29.3
79.28976	1.5
81.07059	39.2
83.04975	1.3
83.08624	7.7
85.06544	2.4
91.05495	22.3
93.07054	35.6
95.04989	2.9
95.08616	28.6
97.06537	2.3
97.10158	3.7
105.07028	22.6
107.08601	20.6
109.06599	2.3
109.10165	51.1
111.08101	3.0
117.06995	8.0
119.08574	24.4
121.10149	15.4
123.08095	1.8
123.11694	3.7
125.09653	1.5
129.07013	5.1
130.07765	1.6
131.08560	16.2
133.10129	14.9
135.08081	1.6
135.11684	9.5
137.09622	3.2
139.11206	1.8
143.08578	5.9
145.10112	14.0
147.11713	9.4
149.13275	4.1
155.08644	1.5
155.10686	3.9
157.10150	4.8
159.11696	7.7
161.13304	4.0
163.14804	2.1
169.10088	2.4
171.11691	5.2
173.11766	11.7
173.13303	9.1
175.14900	3.3
183.11783	1.8
185.13260	3.6
185.92062	1.5
187.14870	5.6
189.16472	1.5
196.65572	1.3
197.13187	2.6
199.14859	2.9
201.16536	1.8
211.14879	3.0
219.17493	1.6
225.16309	1.5
243.21240	1.9
257.19354	1.6
261.22040	6.4
271.20590	2.4
285.22028	2.0
299.23804	1.8
311.23666	1.4
317.24786	1.8
377.26807	1.6
379.30054	8.3
391.28336	1.7
397.31015	12.5
415.31958	4.0
471.34689	11.8
489.35818	100.0
490.36203	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.7
55.01871	0.9
57.03439	6.3
59.05005	100.0
60.05319	0.5
61.02942	1.1
67.05508	1.2
68.05032	2.9
69.03435	2.0
69.07086	1.2
70.06599	3.2
70.90575	0.6
71.05016	0.7
71.05791	1.3
72.08176	1.9
79.05512	1.6
81.03419	1.1
81.07071	1.7
83.04980	1.3
84.04507	0.7
84.08157	1.7
85.02913	5.7
85.06593	0.7
86.06097	0.8
86.09726	2.0
87.04478	0.6
88.04010	0.6
89.06046	2.3
91.05509	1.6
93.07047	1.6
94.06563	0.7
95.05001	1.4
95.08640	1.1
97.02926	2.0
99.08106	1.6
100.07608	0.6
101.09727	1.3
105.07073	1.9
107.05013	0.5
107.08603	1.1
109.02902	1.0
109.06564	1.2
109.10178	0.7
114.05530	3.8
115.07607	1.3
116.07155	1.1
117.09138	36.1
119.08608	0.7
121.06535	1.3
123.08137	0.7
124.07607	0.6
127.04007	0.9
130.06526	0.8
133.08656	1.4
133.10173	0.8
135.08089	1.4
137.05939	0.6
139.03899	0.7
145.10135	0.7
146.06042	1.0
149.09642	1.2
153.01881	1.7
161.09753	0.7
175.13312	13.5
175.14740	1.0
176.03479	0.6
177.36043	0.5
183.04146	0.5
193.14398	3.4
233.17555	2.7
236.56644	0.6
238.81154	0.6
251.18620	1.3
309.22733	34.8
310.23123	1.1
312.62085	0.5
488.21533	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	488.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24057	1.2
53.03938	2.2
55.01868	1.9
55.05502	2.3
57.03431	1.7
57.07064	1.8
67.05502	6.8
69.03424	3.9
69.07051	6.1
70.06571	2.5
70.11222	3.6
70.11627	3.5
79.05497	13.3
81.03400	3.1
81.07057	14.8
84.80163	1.3
85.02909	8.4
86.09709	100.0
88.03933	1.6
89.81760	1.4
91.05482	12.2
93.07043	27.0
94.07308	1.3
95.04963	3.3
95.08616	7.8
97.02864	2.4
97.06496	2.2
105.07019	7.2
107.04947	2.7
107.08598	12.9
109.06503	3.5
115.12411	1.3
117.07029	5.5
119.08585	3.9
121.06521	3.2
121.10181	3.5
124.01566	1.4
127.03876	2.8
128.10706	2.2
129.06963	3.2
131.08565	4.9
132.10211	71.6
133.10152	7.1
135.08057	3.8
135.11714	14.7
141.06999	1.6
143.08618	1.9
145.04926	1.6
145.10126	2.8
147.11665	5.4
147.77818	1.4
149.02370	12.8
149.13257	11.8
151.11211	2.4
153.01889	2.5
155.08524	2.6
157.10022	2.2
159.11728	7.6
161.13165	1.6
167.08574	2.0
171.11641	2.7
173.13217	2.5
175.11192	2.2
177.12717	10.2
183.11729	2.4
192.13878	3.1
205.12067	1.5
221.13329	1.9
223.09721	3.7
225.12714	3.9
238.14400	3.0
243.13850	3.0
254.17444	4.7
257.15506	1.8
262.21646	9.1
267.13873	2.2
285.14792	3.7
308.22214	51.6
308.25735	3.3
310.23886	2.0
320.22058	3.2
326.23273	13.2
335.33102	1.5
336.21387	2.1
337.14420	2.0
398.23376	1.8
470.27106	3.2
488.28409	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2857
Annotation	Broussonetine X
Peak:m/z	Relative Intensity
53.03948	1.8
53.26254	1.0
55.01861	1.0
55.05518	1.5
55.16306	1.1
55.51364	1.3
57.03426	1.1
57.69809	1.2
61.01603	1.0
61.02916	2.1
67.05521	5.6
69.03426	3.9
69.07066	9.6
69.32304	9.0
70.16953	1.2
71.04990	1.9
79.05496	11.6
81.03408	2.2
81.07068	13.1
83.05000	1.5
85.02914	9.0
86.09708	100.0
91.05480	8.9
93.07046	20.6
95.04973	1.5
95.08614	7.3
97.02895	2.8
103.05398	1.2
105.07020	4.6
107.04962	1.5
107.08604	10.9
107.43874	1.2
109.06511	2.0
109.10150	1.3
110.06442	1.2
111.29555	1.3
117.07017	3.4
119.08580	4.8
121.06504	2.6
121.10136	3.1
123.08105	1.3
128.10776	1.1
129.06976	1.1
131.08577	3.8
132.10211	46.1
133.06468	1.1
133.10126	6.4
135.08119	2.5
135.11696	9.1
141.06993	2.2
143.08630	1.7
145.05032	1.1
145.10112	2.8
147.11723	2.9
149.13283	12.4
151.11182	1.4
151.14850	1.2
155.08585	2.1
157.10153	1.6
159.11719	4.1
169.10100	1.7
171.11662	1.6
175.11316	1.3
177.12735	7.7
183.11662	1.8
185.39307	1.0
189.12805	1.8
192.13776	1.8
201.12743	1.8
213.12793	1.5
217.12273	1.2
225.12694	2.5
238.14430	2.4
239.14378	1.4
243.13800	1.3
254.17505	4.6
262.21649	10.1
280.22784	2.1
290.21078	2.0
308.22205	38.6
310.23630	1.4
320.22119	1.9
326.23315	11.9
338.23270	1.9
374.23560	1.4
398.23355	2.0
424.26599	1.6
452.26724	1.5
470.27133	2.2
488.28470	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
53.03950	1.7
60.46965	0.7
62.42184	0.7
65.63651	0.8
70.06567	1.2
72.01066	0.7
72.08134	1.3
75.53302	0.8
86.09711	1.9
91.05453	6.1
93.07041	7.0
95.05007	0.8
95.38116	0.9
101.58838	0.8
103.05456	3.7
105.04513	0.9
107.04978	1.5
112.80727	0.8
117.03409	1.0
119.29555	0.8
121.06509	95.0
122.06796	1.0
123.00785	2.6
127.03884	1.0
131.04929	1.1
133.02869	1.7
136.07541	0.8
138.09171	5.1
139.03879	1.2
143.11847	0.8
145.02855	1.5
147.04413	1.6
151.00290	1.1
151.03908	0.9
152.01044	4.6
153.01831	12.6
153.02982	1.3
161.02333	3.5
162.03065	0.9
163.03938	6.8
165.01869	1.3
173.02420	1.4
177.01903	1.1
179.03308	1.6
189.01846	11.0
190.02611	2.3
191.03413	22.5
193.01376	1.6
195.02971	1.1
201.01790	2.2
207.02895	2.7
215.03401	1.1
217.01328	20.2
218.02112	5.2
219.02931	8.0
221.04453	7.5
229.01274	1.6
233.04410	1.5
234.01483	1.0
235.02373	4.3
245.00827	17.4
246.01474	1.0
247.02364	9.5
249.03964	24.7
261.04050	2.5
261.10648	0.9
263.01797	2.7
271.24564	0.7
273.00311	20.6
273.07513	1.8
274.01035	4.7
275.01880	6.0
277.03476	4.8
289.03409	2.8
290.10361	5.0
291.01315	3.1
300.99783	13.9
302.00577	1.2
305.02997	4.2
307.04568	0.9
319.00769	1.3
333.02399	8.8
347.05197	0.9
351.03476	100.0
352.03720	1.9
412.10300	2.4
421.05545	1.9
438.08102	3.0
439.06503	2.2
456.09146	7.2
470.10626	2.8
471.09583	1.1
488.11740	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55058	3.3
53.03938	10.7
55.01868	9.3
55.05522	30.1
57.03422	6.5
57.07085	16.3
61.02925	4.6
66.77354	3.2
67.05507	22.9
69.03437	36.5
69.06730	6.0
69.07076	73.6
70.06623	3.3
70.85223	8.2
70.85574	3.7
71.04990	15.5
73.02908	4.3
73.06557	5.3
73.20811	3.5
74.60858	3.8
76.02222	3.9
76.82468	3.1
79.05501	21.6
81.03423	40.9
81.07067	48.1
83.08627	25.4
85.02915	63.4
85.06554	4.8
86.09710	4.6
87.00838	29.9
87.04438	3.4
91.05483	15.3
93.07054	39.1
95.04989	7.1
95.08612	46.3
96.22733	3.5
96.25327	3.4
97.02913	27.6
97.06548	20.5
97.10191	4.2
99.04465	13.7
99.08116	5.0
105.01862	13.2
105.07062	23.5
107.08608	57.3
109.02884	30.0
109.06510	9.3
109.10164	37.4
111.04465	3.3
111.08051	3.9
111.11756	4.8
115.03967	5.9
117.01888	4.8
119.08598	19.1
121.10153	28.6
123.08087	27.1
123.11692	23.7
125.13283	28.1
127.03928	46.9
131.08546	6.2
133.10152	15.1
135.11696	57.0
137.09618	10.8
137.13266	7.8
139.03894	11.4
141.90038	3.5
145.04955	13.6
145.10124	4.3
147.11670	14.1
149.13261	25.5
151.07460	3.5
151.14845	4.2
152.40721	3.8
153.01799	4.2
153.12743	34.1
159.02931	16.7
159.11769	6.0
161.13257	11.4
163.14838	4.6
165.09181	5.5
173.13333	5.5
175.07552	5.7
175.14648	4.0
179.04901	6.3
199.14835	3.9
203.17979	24.0
205.19554	10.8
219.05081	3.9
221.19037	100.0
224.94016	3.8
227.06560	3.6
231.05067	6.2
239.20139	4.7
315.04535	3.9
329.20874	4.7
343.94144	3.2
369.64249	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18783	1.4
53.67492	1.1
55.01867	3.5
55.05511	13.4
56.96568	2.9
61.07753	1.1
68.50988	1.2
69.03428	2.0
70.06593	8.5
71.49827	1.9
72.08160	66.3
77.26387	1.2
81.03390	1.2
84.04491	1.3
84.08133	1.3
84.96048	1.2
85.02917	3.6
89.10795	15.7
91.05484	11.9
95.01305	1.7
97.02944	1.9
98.05423	2.7
98.06065	46.8
98.97576	4.6
103.05437	1.6
107.04993	2.0
110.06052	1.6
111.04446	1.5
115.08694	45.0
116.98629	1.7
119.04944	25.2
121.06522	7.6
122.06853	1.7
122.87634	1.1
123.04411	2.0
131.04970	2.2
137.05952	2.5
138.09145	2.7
139.03906	4.4
140.07053	6.2
147.04422	25.6
151.03899	1.5
152.07121	1.8
153.01820	9.8
154.08653	2.5
154.96040	1.2
155.07054	1.7
157.03970	2.3
157.09737	27.8
161.05989	2.5
163.03932	1.7
167.07050	5.3
169.06427	1.2
173.06009	1.6
175.03912	50.4
176.04451	1.5
179.07153	1.6
181.04965	4.6
182.08113	4.0
187.07581	2.4
189.05530	1.8
191.07085	1.6
201.05482	1.8
205.08646	1.5
207.06534	100.0
209.07932	1.6
219.06456	2.2
226.98817	1.4
233.08008	1.5
236.12866	5.5
237.02782	1.6
245.04500	1.8
253.15591	8.6
261.07654	1.7
273.07513	1.5
275.09134	4.2
276.08585	2.2
278.13834	5.5
293.05420	3.4
293.10147	3.8
295.16544	56.6
301.07141	2.3
311.06702	2.3
318.13354	1.3
319.08267	2.6
319.16330	1.4
347.15942	2.8
365.17413	2.6
371.16006	4.7
372.14294	2.2
373.13928	2.0
389.17059	7.1
390.15631	1.6
407.18207	9.0
408.16635	5.4
409.16153	3.2
425.19196	15.3
433.15878	3.2
434.00308	1.5
443.20184	5.5
451.02335	1.4
451.17490	1.7
469.18213	10.4
487.19354	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	486.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.8
56.82980	1.0
57.06837	1.3
57.07086	16.3
67.05501	4.4
67.97054	1.0
69.06732	1.2
69.07076	7.3
71.08642	12.0
71.43359	1.6
74.58063	1.0
79.05479	2.4
81.07061	8.9
83.08615	4.0
85.10196	5.2
85.23872	1.0
87.04480	10.5
89.06802	1.0
91.05473	3.1
93.07048	2.3
95.08627	8.2
96.35645	1.0
97.10177	3.2
105.07023	2.1
107.08593	5.1
109.06488	1.8
109.10172	6.2
117.07040	1.1
119.08590	3.4
121.06515	3.6
121.10137	3.7
122.07294	1.2
123.11729	1.3
131.08601	2.8
133.10187	1.5
135.08054	4.8
135.11713	1.7
137.05907	1.1
137.09636	8.8
138.09128	1.8
139.07538	2.7
145.10159	2.6
149.09644	10.3
151.07570	3.1
155.14317	1.0
159.08112	1.3
159.11714	3.3
163.11201	17.3
164.07112	1.5
164.08328	2.2
165.09132	100.0
171.11740	1.2
173.09720	1.5
173.13278	1.9
175.11205	5.9
176.08342	1.3
176.33920	1.2
177.09160	10.8
177.12672	1.3
179.10727	1.3
180.10201	4.5
187.11160	2.7
187.56248	1.1
189.12627	1.6
190.09840	1.1
191.10727	10.1
201.12743	3.3
203.10657	2.3
205.12256	10.8
215.14362	1.9
219.13902	5.3
219.70341	1.1
233.15526	2.5
247.17130	1.5
260.63242	1.2
275.20047	1.6
289.21634	1.4
303.23184	1.3
350.82312	1.1
401.34305	1.9
411.36298	1.7
429.37341	58.2
430.37872	5.5
444.38342	2.0
447.48334	1.3
486.39551	2.7
486.47687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01864	3.4
55.05516	10.7
56.05027	1.8
57.03424	2.6
57.07073	2.5
58.99589	17.1
67.05508	39.5
69.03419	3.9
69.07069	11.7
70.06583	6.3
71.04980	2.7
71.51260	1.9
72.08144	2.6
76.02232	67.8
76.03999	2.5
79.05495	11.8
81.03411	1.7
81.07059	34.6
83.04982	2.8
83.06101	2.5
83.08625	5.2
84.04509	25.3
85.02922	3.3
85.06539	1.3
86.09753	1.4
86.99047	3.7
87.04455	1.3
88.02191	1.8
89.06025	2.4
91.05493	8.2
93.07057	11.7
95.04951	3.2
95.08614	47.7
96.08933	1.6
97.02927	1.3
97.06540	1.8
100.02154	1.3
105.07053	11.2
107.08598	11.0
109.02872	1.5
109.06522	3.6
109.10160	31.7
111.08067	1.4
113.04237	2.7
114.03782	2.4
116.01686	22.9
117.07002	2.2
119.08582	14.2
121.06503	2.7
121.10149	4.9
123.08076	4.2
123.11688	2.4
126.09151	1.8
127.03889	1.3
129.06628	2.1
130.05035	5.2
130.06854	3.2
131.08636	1.8
132.48579	1.1
133.06461	1.1
133.10132	5.4
134.09647	3.5
135.08070	2.1
135.11668	3.7
137.02460	1.5
137.09634	4.3
139.03932	2.8
139.05746	1.8
141.07281	1.5
142.03242	7.4
143.03416	1.2
144.01149	15.1
145.06122	1.8
145.10132	2.5
147.11681	1.5
148.12061	1.4
151.09633	2.1
151.14827	20.5
152.57358	1.3
153.01860	2.2
153.12770	1.3
154.02209	1.9
161.09589	1.5
161.13286	12.5
162.02209	43.4
170.02640	1.4
170.15472	1.9
175.07518	1.4
179.04861	100.0
179.14319	33.7
182.15358	1.5
187.05391	3.2
203.14365	2.6
215.04979	2.6
219.12006	1.3
233.05917	16.8
233.09576	1.8
236.14644	5.3
237.13112	4.5
245.05888	3.9
291.06485	1.8
307.24747	3.0
308.09158	14.4
339.17404	12.2
365.18802	1.2
372.94946	1.5
393.18372	2.8
411.19479	15.2
468.21628	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	486.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01874	1.9
55.05511	10.2
56.05042	2.4
56.85057	1.0
56.96569	1.3
57.03428	2.4
57.07072	2.4
57.98798	1.8
58.99588	18.0
59.04995	1.7
67.05508	39.5
69.03423	3.4
69.07069	10.0
69.24544	8.9
70.06590	1.2
71.04974	1.5
72.08141	2.1
76.02230	67.0
76.03994	2.6
79.05494	10.4
81.03426	1.5
81.07063	31.6
83.04988	2.1
83.06084	4.6
83.08620	3.6
84.04504	24.6
84.08154	1.6
85.01127	2.7
85.02914	1.5
86.09696	1.5
86.99055	3.3
88.02206	2.2
89.06013	1.4
91.05489	8.0
93.07050	13.4
95.04960	5.0
95.08610	50.4
97.06525	1.9
98.97585	2.4
105.07043	10.0
107.04948	1.6
107.08606	9.2
109.06516	3.1
109.10156	30.8
113.04206	2.3
116.01680	24.5
117.07024	2.1
119.04932	1.1
119.08585	12.4
121.06516	1.5
121.10146	4.1
123.08064	4.8
123.11694	1.1
127.03931	1.4
129.06648	3.8
130.05051	7.0
130.06895	2.7
130.08624	2.2
131.08524	1.7
131.58496	1.1
133.10135	5.3
134.09663	2.3
135.11678	3.6
137.09634	4.1
139.03908	2.9
139.05762	2.1
140.04208	1.6
141.04811	1.3
142.03239	6.3
144.01176	13.7
145.06157	1.5
145.10123	1.9
151.11145	1.4
151.14827	21.2
153.01817	2.7
156.08398	1.0
159.11626	1.5
161.13258	13.4
162.02208	45.4
163.03859	1.3
165.05469	3.0
166.05779	1.3
170.02728	3.7
170.56712	1.2
179.04858	100.0
179.14317	36.6
187.05383	4.9
203.14372	1.4
215.04784	1.4
216.06956	2.3
233.05937	16.2
233.09570	1.5
236.14519	2.5
237.13115	2.3
245.05832	1.6
254.15744	1.3
272.06854	1.2
291.06375	2.5
308.09100	15.8
317.82120	1.1
332.91498	1.1
339.17444	13.1
347.12546	1.2
361.73254	1.4
411.19550	18.0
468.21957	5.3
486.22632	4.1
503.87430	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.9
57.03424	1.4
57.07076	0.8
61.02930	1.9
61.35221	0.7
67.05527	0.9
69.03435	6.0
69.07068	1.7
70.04080	100.0
70.06599	3.0
71.04999	0.8
71.51037	1.0
72.08154	1.0
73.06581	0.7
81.03436	2.8
81.07064	2.2
83.04983	0.7
84.08152	1.4
85.02909	12.5
85.06583	0.6
87.30521	0.7
89.06010	1.5
93.07033	1.3
95.08622	2.3
97.02924	4.0
97.03439	0.7
99.04463	1.5
101.93312	0.6
103.05479	0.7
105.07037	1.2
107.08638	1.3
109.02885	1.6
109.06559	1.1
109.10194	1.0
119.08620	1.3
125.01552	14.6
127.03902	1.7
129.10258	1.3
139.03125	2.1
143.08585	0.8
144.09325	0.9
145.04999	1.3
151.03098	8.6
162.07652	0.9
163.03041	1.0
165.04718	2.2
177.04639	1.3
179.06198	4.2
181.04266	1.0
207.09467	1.1
219.09319	0.8
276.12714	2.4
306.13672	11.0
322.83804	0.8
324.14737	64.9
325.15085	1.7
486.19730	3.9
513.70813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.05518	3.5
55.60694	1.5
57.29008	1.1
65.03949	1.6
67.05490	3.2
69.03430	1.7
69.07066	3.8
70.06592	19.8
71.51483	2.1
72.08151	3.1
73.02916	1.8
79.05489	3.1
81.05797	1.5
81.07045	4.1
84.04515	1.8
84.08146	1.7
84.51294	1.4
85.02925	2.5
86.09710	22.4
91.05481	6.1
92.04969	1.5
93.07032	8.7
94.06562	2.8
95.04955	2.7
96.04473	1.6
96.08128	6.1
97.02902	2.0
100.11273	2.6
105.07030	1.8
106.06560	2.5
107.04974	2.7
108.08132	2.5
109.06531	1.8
109.10173	1.8
111.04430	3.0
111.08051	5.0
114.09175	13.1
120.04472	6.0
121.06485	3.9
121.41484	1.4
122.06061	7.9
123.03170	2.5
123.04444	2.2
124.03943	13.6
124.07603	22.6
127.03900	1.8
132.10190	1.5
133.10106	3.4
134.09642	3.5
135.08055	4.1
136.07562	6.3
137.06004	2.4
138.05508	1.5
138.09138	3.4
139.03915	29.4
140.03403	2.6
140.07045	5.1
147.11719	1.7
148.03964	5.2
148.07561	2.7
150.05501	2.3
151.03918	2.6
152.10674	2.5
153.01842	5.8
154.04977	3.4
154.08591	3.4
158.10210	1.4
162.09164	28.5
163.07561	2.2
164.07059	3.5
166.08632	4.9
174.09177	1.6
176.03522	1.8
180.10213	21.3
181.04955	13.5
182.15451	3.1
190.08705	7.4
192.06555	2.5
199.18037	4.5
202.08649	1.8
204.10252	2.2
205.04999	1.7
208.09686	56.6
210.14920	4.1
215.11905	1.4
219.11247	2.8
225.10194	1.5
228.15875	1.8
229.15527	3.6
243.11349	4.7
247.10838	22.9
255.11389	1.7
257.13077	1.9
267.11343	7.7
271.10834	8.0
273.12180	1.7
279.13425	1.7
283.10828	2.7
285.12219	5.0
286.10669	2.2
287.13907	2.4
293.09201	4.6
294.09961	2.0
295.10889	9.4
299.10254	4.8
303.13504	4.2
306.20502	2.0
311.10095	3.1
312.11044	6.0
313.11801	5.5
315.13330	4.0
327.13367	1.8
329.11313	3.8
331.12833	6.4
361.13776	1.6
390.18079	3.1
418.17642	5.6
428.18304	1.7
436.18741	19.8
437.17548	1.7
454.19781	100.0
455.20126	4.2
468.38062	1.7
486.21890	3.3
486.31769	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	485.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.3
57.03428	5.6
57.07079	30.2
57.96784	1.1
67.05495	5.4
69.07053	5.0
69.64819	4.3
69.65229	2.1
71.08638	16.8
81.07053	8.9
81.90336	1.1
83.08631	6.9
85.10165	8.4
91.05470	1.7
93.07091	1.5
95.08602	9.1
97.10159	2.6
98.98470	25.1
105.07030	2.7
109.10141	5.8
123.11667	1.5
123.51822	1.1
131.08559	1.4
133.10118	1.6
147.69730	1.3
155.01042	15.1
157.10063	1.1
173.02008	1.9
178.50327	1.1
179.78212	1.4
222.02773	1.1
239.23712	2.5
281.62976	1.1
313.27383	100.0
314.27625	2.3
393.23599	1.6
449.26660	5.8
484.19321	1.4
485.30896	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
54.03473	0.6
55.05517	1.4
55.81533	0.5
56.96568	1.0
65.03947	0.8
67.05509	1.8
69.03428	0.9
69.07087	0.7
70.06586	1.3
70.13554	2.1
71.04979	1.4
71.43775	0.5
72.08148	0.5
78.61858	0.5
79.01867	1.3
79.05486	2.1
80.05010	3.1
81.07058	1.4
82.01580	0.6
83.04971	0.8
85.02895	1.6
87.08988	0.5
88.11253	0.7
91.05487	2.2
93.07051	5.4
94.06593	3.0
94.21978	0.6
95.04978	2.2
95.08582	1.4
96.08103	1.1
97.02892	0.9
97.06535	1.2
98.06052	0.6
98.97584	0.8
99.04462	2.1
100.04014	0.8
103.05476	0.6
105.06992	2.6
107.04949	0.6
107.08603	1.5
109.02880	0.9
109.06491	0.6
112.07607	0.8
114.26904	0.6
119.08539	2.6
121.06516	5.1
121.10153	2.0
122.06033	16.2
122.06898	1.2
123.04452	1.3
126.05519	59.9
131.08617	0.7
134.06010	0.5
135.11726	0.6
137.05980	1.9
139.03911	10.4
140.07068	100.0
141.07422	1.5
144.09482	0.7
145.06526	0.7
145.10197	0.7
149.05977	3.9
151.03880	1.1
152.07104	1.8
153.01828	8.5
153.03000	1.0
153.07422	1.1
159.11703	5.4
161.13242	0.8
163.03958	0.9
167.07077	4.3
168.06546	1.1
170.08083	1.2
175.55328	0.6
177.05475	0.9
177.12801	0.9
179.03435	0.9
181.04967	0.9
185.09235	4.9
186.07619	1.5
190.22272	0.5
199.10774	9.1
202.22093	0.5
205.12225	3.2
211.07195	0.5
219.01857	0.7
227.10313	2.1
237.02855	0.6
245.11339	83.3
246.11711	1.2
257.04477	0.6
269.05258	0.6
305.06058	0.6
318.20554	1.1
362.19510	1.0
399.75159	0.5
423.25110	1.9
449.22440	0.6
467.23743	5.5
485.12552	1.1
485.24750	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.202
Annotation	Globulusin A
Peak:m/z	Relative Intensity
51.02378	0.7
53.03952	0.9
54.59642	0.5
55.01874	0.9
55.05505	1.3
57.03448	0.7
57.07090	3.3
59.04996	1.7
65.19891	0.5
67.05509	4.3
69.03448	4.1
69.07063	3.4
70.06600	8.5
71.04997	0.8
71.06925	1.5
71.20463	0.7
72.08144	1.0
79.01862	3.4
79.05502	1.3
81.03424	7.0
81.07086	3.0
83.04974	1.8
83.08608	1.0
85.02923	2.8
85.06552	1.3
86.09704	1.2
91.05492	1.0
93.07038	2.7
95.04980	1.5
95.08618	16.1
97.02898	4.4
97.06520	1.5
97.10179	0.6
97.10883	0.6
99.04448	1.2
99.08096	3.2
105.07043	1.3
107.01324	1.1
107.08594	2.6
109.02895	3.6
109.06535	3.3
109.10167	3.0
111.08067	1.6
113.09658	14.1
119.08597	0.6
121.06557	1.0
121.10159	1.0
123.04396	0.9
123.11748	0.7
125.02360	2.5
125.09680	0.6
127.03940	3.9
127.11209	1.5
131.08620	0.9
135.11700	3.2
137.05980	1.6
137.09651	0.7
137.13232	1.3
139.03954	1.5
143.03406	4.4
145.05005	0.6
149.06026	0.8
151.11243	0.7
153.01845	100.0
153.02882	5.1
153.12759	16.4
154.02184	1.1
155.14325	3.2
163.03833	1.1
165.05484	0.7
171.02917	6.5
171.13853	2.6
172.52498	0.5
174.97395	0.6
177.05467	2.3
177.12730	0.7
178.05807	0.8
179.07042	0.8
279.15787	0.8
297.06027	4.4
315.07138	5.1
403.12436	0.6
485.19376	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	484.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89975	1.1
55.05498	1.4
57.07079	52.2
59.04755	1.2
59.05008	16.7
65.67736	0.8
67.05495	1.1
69.07073	2.5
71.08635	100.0
73.06565	1.4
85.10190	55.7
87.04455	4.6
88.07642	1.5
89.06037	73.2
93.07043	1.0
95.08604	1.5
97.10210	1.4
98.20743	2.9
102.09205	1.1
103.07580	5.4
107.07100	1.6
117.09129	1.7
120.40752	0.9
127.14813	7.1
131.07056	1.5
133.08612	50.1
175.09708	1.5
177.11234	28.0
185.19038	9.1
221.13795	1.9
228.23279	1.3
229.21634	3.5
229.64781	1.3
235.15327	1.1
239.14915	2.2
265.16470	1.4
283.14655	0.7
283.17517	20.6
283.26151	2.0
311.29318	1.6
323.20721	2.4
327.19995	3.7
467.35629	3.5
468.56128	1.0
484.47269	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	485.1294
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
63.79479	1.3
69.03453	1.5
70.06591	3.3
70.56786	1.2
71.50733	2.3
72.08154	1.6
79.01852	5.2
79.08599	1.4
80.05008	8.1
81.03413	4.4
84.08124	2.6
85.02921	6.7
91.05488	2.1
93.07037	2.0
95.04951	1.7
97.02876	3.0
103.03949	3.9
103.05457	1.6
105.33400	1.2
107.01345	1.5
109.02878	3.6
111.04433	1.6
121.06539	7.2
124.07478	1.4
125.02387	3.1
126.05514	8.2
127.03909	4.3
131.04904	1.7
136.07547	2.5
137.06064	1.5
139.03949	4.1
140.07101	7.3
143.03381	5.6
145.06476	2.1
146.39140	1.3
149.05940	1.5
153.01839	100.0
153.02907	5.9
153.05496	4.9
154.02182	2.2
154.08580	1.9
159.04472	1.6
163.03879	1.6
165.05479	2.3
167.03439	2.0
167.07039	4.9
171.02884	5.5
173.05989	2.6
176.75940	1.6
177.05412	7.3
179.03352	1.4
181.04964	6.0
182.40482	1.3
189.05469	1.8
191.06998	2.6
195.02864	2.0
195.06558	7.8
197.05902	1.4
207.06488	2.2
213.03928	2.7
217.08510	2.5
219.06531	5.4
233.08081	3.5
237.04137	2.0
237.07507	2.6
243.06580	1.6
245.11359	13.2
255.04997	6.8
261.07639	16.5
266.49197	1.3
279.08609	8.8
297.06082	1.6
315.07050	2.8
373.99738	1.6
407.25943	1.4
485.17624	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
52.89453	1.1
53.03947	2.7
65.03945	2.6
67.05505	2.3
69.03437	2.8
73.06724	1.2
79.01852	2.6
79.05505	10.6
80.05020	1.9
81.03427	5.8
81.05806	3.9
83.04978	1.4
85.02943	2.4
92.05032	7.6
94.06573	1.9
96.08148	8.3
97.02910	2.5
98.21528	2.4
105.04525	1.3
105.07030	4.1
106.06564	60.8
108.08124	35.2
108.14970	1.2
109.02895	4.4
109.05309	2.0
122.06039	4.1
122.09672	2.1
123.06829	8.7
124.07612	43.0
125.02386	2.7
126.05534	5.0
127.03959	2.6
127.05908	1.2
133.92635	1.3
134.06032	33.9
134.07004	2.2
136.07600	5.1
137.08385	2.3
139.03906	3.3
140.07074	6.6
141.07472	2.4
143.03438	4.2
146.05988	1.6
152.07076	100.0
153.01845	98.4
153.02914	6.4
153.07434	1.8
154.02155	2.6
170.08141	73.8
171.02892	4.0
188.07117	1.5
189.07564	1.2
212.07185	1.7
230.08054	1.3
245.11349	3.1
246.11676	3.6
258.07596	7.1
259.08444	15.4
260.09241	3.1
273.06445	1.4
274.07199	6.2
286.07092	5.6
297.06198	3.7
304.08221	7.5
314.12411	3.4
315.07111	2.9
332.13266	1.8
356.62805	1.3
452.12134	1.3
466.13480	49.4
467.14246	1.5
484.14569	81.9
485.15259	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	484.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.1
55.92628	1.0
57.07078	26.4
67.05499	1.2
69.07063	1.9
69.47305	8.3
71.05508	1.0
71.08633	31.4
73.06564	5.1
81.07062	1.2
82.64644	1.0
83.08615	3.5
85.10187	28.2
87.04474	3.7
88.07676	1.3
89.06032	100.0
90.06359	1.1
91.05456	1.5
98.21492	2.1
99.11739	2.2
107.07066	1.4
117.09097	2.4
130.08621	1.5
131.07050	1.5
133.08607	52.8
141.16470	4.9
169.10020	1.1
177.11234	17.3
185.19023	6.3
200.19994	1.8
221.13824	2.1
229.21674	8.7
239.14743	2.1
273.24261	4.7
283.17542	3.3
283.26431	2.0
311.29309	1.5
327.20001	10.3
467.35913	9.9
484.47202	4.7
502.11053	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.3
57.03441	3.6
57.07078	100.0
58.04224	3.2
58.07397	1.2
59.04710	2.4
59.05002	41.8
67.05507	2.5
69.07066	4.4
71.08635	88.6
71.52176	2.3
73.02937	1.9
79.05466	1.5
81.07053	5.0
83.08637	6.7
85.10187	74.8
86.07311	2.0
86.10524	1.3
87.04465	3.9
87.08096	2.0
89.06041	8.7
90.01924	13.6
93.07074	2.0
95.08601	3.3
97.10171	7.3
98.73837	1.3
99.11732	10.3
99.92999	1.4
101.09646	2.9
103.07568	2.0
107.08612	1.7
109.10140	1.9
110.44437	1.5
111.11739	1.3
113.13311	1.2
117.09140	14.0
119.18076	1.5
125.09637	3.7
133.08617	5.5
135.02695	1.3
141.16376	4.8
155.17931	1.8
177.11334	1.5
178.06978	1.2
185.92770	1.3
189.11256	3.1
199.20537	5.9
213.22061	2.2
215.84439	1.3
227.12976	1.6
257.24719	6.4
283.17511	2.7
284.17874	2.6
483.36874	4.7
484.47260	5.4
507.78323	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83186	5.1
53.03946	11.9
55.05524	25.8
55.05725	4.3
57.03423	22.3
61.02932	61.2
65.03941	7.3
67.05514	80.6
67.23364	5.1
69.03429	43.0
69.07094	26.1
71.01331	6.4
71.04982	7.6
71.25649	5.5
71.25970	6.3
73.02927	33.8
79.05505	71.0
81.03413	20.1
81.07068	100.0
83.04963	9.1
83.08607	9.6
85.02908	58.0
85.06531	5.7
85.58545	4.8
87.04488	6.5
91.03984	31.9
91.05491	51.4
93.06499	5.4
93.07048	69.4
95.04980	10.3
95.08619	70.1
97.02901	56.7
97.06515	7.3
97.10139	5.5
99.04459	12.7
101.02373	13.1
105.07037	44.9
107.04919	5.9
107.08595	51.8
109.02888	13.5
109.10137	34.7
117.07014	16.3
119.08598	26.2
121.06472	7.1
121.10154	34.6
123.11708	12.6
127.03909	27.2
129.05496	6.1
129.07037	10.3
131.08588	24.5
133.10118	16.8
135.11705	21.1
139.03903	6.6
143.08563	7.8
145.05003	8.9
145.10146	21.8
147.11673	17.6
149.13269	9.3
151.07663	4.9
153.01814	6.0
159.11697	21.4
161.09598	6.2
161.13405	5.3
171.11653	7.4
173.13284	14.7
184.07393	4.6
207.13698	5.3
221.80144	5.1
229.19563	8.5
247.20566	19.1
306.33871	4.9
321.24304	64.6
412.14203	5.6
447.27322	7.5
483.29602	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	23.0
55.05746	5.6
57.03435	7.9
57.07061	13.5
67.05512	8.8
69.07075	27.0
71.08635	16.0
79.05486	5.4
81.07045	14.5
83.08630	23.2
86.10513	4.3
89.06049	5.2
91.05474	6.9
93.07052	4.2
95.08602	10.5
97.10180	13.1
98.98472	11.8
109.10182	4.9
111.11782	4.6
114.37778	3.5
121.10149	4.7
129.06999	6.3
131.08585	5.2
140.25485	3.9
145.10089	8.0
150.19243	4.2
155.01125	5.7
156.77937	4.1
157.63803	4.0
169.10109	7.6
171.11761	3.9
173.13293	6.3
174.59094	3.4
183.11649	4.6
192.89044	4.0
311.25848	100.0
483.35034	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.4
55.01871	6.9
55.05513	27.7
57.03436	36.2
58.62843	4.3
61.02933	81.7
65.03974	5.8
67.05504	82.5
69.03432	50.4
69.07067	16.8
71.01346	6.5
71.04992	4.7
71.51378	6.6
73.02914	45.8
76.96174	4.3
79.05489	69.4
81.03417	29.2
81.07061	100.0
83.04948	5.5
83.08634	5.7
85.02908	90.4
91.03956	50.2
91.05475	46.7
93.07043	69.9
95.04992	11.5
95.08604	92.3
97.02889	75.2
97.06505	8.3
98.40417	4.8
99.04462	16.3
101.02391	21.9
103.03981	11.0
105.07040	38.6
107.08592	45.1
109.02880	14.8
109.10159	30.2
110.05667	5.2
115.03993	7.1
117.07035	10.7
118.31796	4.9
119.08605	22.4
121.10121	38.7
123.08091	5.1
123.11739	11.7
127.03906	30.3
129.05466	10.7
131.08569	22.6
133.10150	22.6
135.08037	4.8
135.11679	22.3
145.04993	10.2
145.10103	22.2
147.11708	19.5
149.13271	12.9
159.11684	17.6
161.13300	4.9
163.11185	5.3
171.11734	5.1
173.13298	12.5
183.06508	8.7
185.13312	5.4
214.63345	5.3
229.19522	6.6
247.18187	4.8
247.20470	26.2
321.24255	91.6
349.23920	5.3
355.22739	4.9
483.29678	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	483.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
54.43964	0.4
55.05523	1.4
61.96663	0.4
67.05501	2.3
69.03419	1.2
69.65566	2.4
71.05006	0.4
79.05485	1.3
80.05029	5.2
81.03414	0.9
81.07050	3.3
83.05009	0.6
85.02885	0.5
87.10326	0.4
91.05491	1.7
93.07048	1.9
94.06570	2.8
95.01333	1.2
95.04973	3.5
96.08131	0.6
98.06063	1.6
98.20686	0.5
100.03998	0.8
105.07006	1.0
108.04411	0.7
109.06508	4.0
119.04951	0.7
121.06514	1.0
122.06037	17.9
123.04395	0.7
124.04004	0.5
126.05524	75.2
133.10162	1.0
137.05960	3.4
137.09570	0.4
139.07573	1.2
140.07072	100.0
141.07475	0.5
147.04414	0.7
151.03938	0.6
153.01869	2.3
161.09668	0.6
165.05467	5.0
168.06535	1.6
175.11243	0.7
185.09236	8.0
186.07648	1.0
195.49188	0.4
199.10785	7.4
203.10710	0.8
209.09206	0.7
221.11745	1.0
227.10294	0.8
228.47714	0.4
245.11346	64.1
246.11702	0.4
307.32050	0.4
316.18985	1.2
360.18051	1.8
378.19110	1.9
421.23401	4.3
428.00592	0.5
465.22406	6.7
483.23422	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	483.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85396	0.4
53.03943	0.8
56.05029	0.4
60.04550	0.5
66.86932	0.4
67.05494	1.5
69.03429	1.6
69.60660	1.1
69.61089	1.8
70.21020	0.4
79.05518	0.4
80.05019	5.5
81.03421	0.6
81.07071	2.6
82.06577	0.5
85.02922	0.6
91.05482	1.3
93.07025	1.2
93.24284	0.4
93.49934	0.5
94.06578	0.9
95.01315	0.8
95.04985	3.6
96.08141	4.4
97.06515	0.4
98.06074	2.0
98.21586	0.7
105.07053	0.8
107.01926	0.5
108.04495	1.0
109.06537	2.4
121.06465	0.6
122.06037	6.6
123.04457	0.5
126.05524	100.0
126.23394	0.4
127.05906	0.5
133.10150	0.6
137.05988	3.3
139.07565	0.8
140.07074	24.5
147.04456	0.5
153.01862	2.7
165.05487	3.1
175.11221	0.5
185.09233	12.7
199.10847	1.3
203.10522	1.0
209.09225	0.6
221.11813	1.7
227.10300	2.6
245.11349	35.8
281.13724	0.5
316.19067	0.5
321.14331	0.5
378.19183	0.7
418.49451	0.6
421.23465	0.8
465.22427	3.0
483.23410	8.9
491.68701	0.4
491.80902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
54.68338	0.6
55.05505	1.9
57.03419	0.7
67.05490	2.4
68.45350	0.6
69.03435	1.6
69.07061	2.5
69.79738	1.4
69.80147	2.7
70.06588	0.6
70.51558	0.6
79.05483	1.9
81.03399	1.6
81.07061	4.5
83.01099	0.7
83.04999	1.0
84.08142	0.8
85.02917	1.0
91.05475	2.3
93.07037	4.7
95.04967	0.9
95.08597	2.5
97.02861	0.8
97.06535	1.0
97.10173	2.3
98.20834	1.1
105.07048	2.8
107.08561	3.0
109.02870	0.8
109.06499	1.0
109.10157	2.9
114.17758	0.6
119.08564	2.3
121.06492	0.7
121.10126	2.1
123.04424	0.8
123.11736	1.6
124.07570	0.9
125.09685	0.7
127.00040	5.6
127.03959	0.9
131.08546	0.8
133.10132	2.0
135.04417	0.8
135.08080	1.0
137.05978	1.8
139.03879	1.0
143.69534	0.7
145.10114	1.1
147.08078	1.1
147.11644	0.8
151.03925	1.1
151.07526	1.0
153.01855	2.8
159.11658	1.2
163.03864	0.8
163.11203	0.7
165.05536	1.0
177.63519	0.7
181.06517	0.7
187.07550	0.7
198.16907	0.7
231.13551	4.2
249.14609	0.7
275.12576	8.1
291.15695	7.3
293.13586	2.9
319.04581	0.8
335.14645	34.3
353.15668	1.9
379.13580	20.8
395.16788	4.8
397.14648	5.2
439.15833	22.3
483.14767	100.0
484.14761	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72326	0.5
55.05508	1.7
57.07072	0.7
67.05495	2.4
68.99780	0.7
69.03425	1.5
69.07068	2.2
69.34840	4.7
71.04992	0.5
73.20113	0.6
73.80280	0.6
79.05482	1.6
81.03400	1.1
81.07045	3.9
83.04983	0.6
83.08624	0.8
91.05478	2.2
93.07032	2.0
95.08609	2.9
97.02914	1.0
97.10184	1.0
102.49540	0.5
105.07034	1.5
107.08588	1.8
109.10157	2.5
116.49715	0.5
119.08585	1.6
121.06532	1.0
121.10149	1.6
123.04444	0.9
123.11729	0.6
125.09615	0.7
127.03877	1.0
131.08595	0.8
133.06509	0.6
133.10158	1.3
135.08058	0.9
135.11661	1.1
137.05991	1.1
139.03897	1.3
145.10149	1.3
147.04419	0.6
147.11708	0.8
151.03943	0.5
151.07607	0.9
153.01834	2.8
163.11194	0.5
165.09230	0.7
173.09708	0.6
175.07527	0.9
187.07574	0.6
215.10735	0.6
226.92386	0.5
321.16568	1.5
321.20050	0.6
357.20190	0.5
483.22040	100.0
484.22305	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1138
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
51.02373	0.6
53.03938	1.5
55.01877	0.6
57.03437	0.9
61.02921	1.2
67.01867	2.5
67.05500	0.6
68.99786	0.6
69.03423	3.2
69.48954	3.7
71.04993	0.7
73.02900	0.9
79.01848	4.6
79.05508	0.5
81.03422	7.8
81.07031	0.9
83.24709	0.5
85.02905	6.5
90.13882	0.6
91.05466	0.5
95.05010	0.8
95.08611	0.7
97.02893	6.9
97.10172	0.5
98.21471	0.8
99.04457	0.9
99.85687	0.5
100.71529	0.5
107.01299	2.5
107.08619	0.5
109.02885	6.1
120.08125	0.6
121.06496	0.6
123.04436	2.0
125.02374	3.5
125.05983	0.7
127.03910	9.4
127.04822	0.7
137.05980	0.9
138.09119	0.7
139.03856	0.7
143.03412	5.6
145.04990	1.5
147.04437	0.6
149.05943	2.5
151.03912	7.4
153.01837	100.0
153.02899	5.7
153.05455	2.2
154.02127	1.2
159.11711	0.5
163.03989	0.9
164.07104	1.3
165.05545	0.6
167.62051	0.5
169.04974	26.2
171.02901	11.5
177.07800	1.4
189.67683	0.5
191.03490	0.7
193.04977	2.1
195.06577	1.4
211.05994	1.7
220.16423	0.5
235.06093	0.9
259.06091	0.9
297.06061	9.6
315.07196	3.3
319.04572	1.3
320.04874	1.2
320.18701	0.7
321.04984	2.7
348.70197	1.1
349.20117	0.7
429.72601	2.3
451.74106	2.1
452.24103	0.9
473.75253	0.8
494.84467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0006
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96390	0.8
56.96557	0.9
69.49426	2.3
69.49833	3.9
90.25014	0.8
98.96999	1.6
98.97591	11.5
116.98639	5.1
134.99623	1.7
156.96576	1.3
174.97652	7.4
181.25290	0.8
192.98692	3.3
198.97607	1.1
201.13266	0.9
214.95638	10.8
216.98708	5.1
219.02028	1.0
232.96724	20.0
234.99826	6.1
236.99756	0.8
238.95615	2.2
240.98923	2.1
250.97833	8.6
256.96725	40.4
257.96899	2.1
258.99908	7.2
261.00003	1.3
261.03024	0.9
274.97775	63.4
275.97824	1.6
276.98190	1.2
277.00974	5.0
280.96866	3.1
283.00027	12.7
284.00214	1.3
284.99759	2.2
289.96417	1.3
292.98859	7.7
298.97769	90.0
299.97861	3.8
301.01071	10.0
302.01111	1.2
303.00876	2.0
314.95969	1.4
316.98834	95.0
317.99002	4.3
318.98892	1.6
332.96756	1.0
334.99976	1.7
340.00223	2.2
340.98712	4.6
356.96835	2.4
358.99960	6.7
374.97781	5.0
380.96887	1.2
398.98010	4.5
399.98068	0.9
401.01172	1.1
416.98950	14.3
422.97659	5.8
425.01190	1.6
440.98953	100.0
441.99139	5.5
443.02692	1.9
447.01553	1.2
459.00009	87.8
460.00360	5.4
461.00888	1.1
482.01276	3.0
483.00400	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	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90553	1.6
55.01865	2.0
55.05505	5.5
55.88103	1.4
57.03438	4.8
57.07089	1.7
58.19915	1.5
59.86980	1.5
61.02915	3.9
67.05507	11.4
69.03426	2.6
69.07079	7.4
69.87431	8.0
71.04984	2.9
73.02904	2.6
74.01969	1.5
79.05475	7.4
79.64441	1.4
81.03403	1.6
81.07068	38.3
83.04972	3.2
83.08615	5.3
85.02895	5.6
85.06538	3.6
86.34496	1.8
91.05497	12.3
93.07034	7.2
95.04968	2.3
95.08621	9.6
97.02901	2.4
97.06544	3.4
99.04455	1.7
99.08087	2.7
105.07034	19.7
107.08607	8.1
109.02871	1.9
109.06520	3.6
110.55677	1.5
119.08591	15.5
121.06490	1.9
121.10167	10.5
123.08040	3.1
123.11716	17.0
131.08533	2.2
133.10155	2.1
137.05963	6.5
137.10492	1.7
139.03877	2.1
143.03435	1.7
147.11699	42.1
148.12032	1.8
149.30812	1.7
151.07512	1.8
153.01833	13.7
153.02895	2.4
157.10149	2.2
163.14818	1.8
165.12767	19.0
174.20891	1.6
175.11160	2.8
183.13792	2.5
184.71448	1.6
229.14366	5.5
263.14499	1.6
267.15952	48.3
285.16983	100.0
288.38681	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70022	1.9
55.01871	3.1
55.05497	7.0
57.01844	2.1
57.03432	6.3
59.66331	1.8
61.02927	4.4
67.05515	15.4
69.03431	7.0
69.07066	11.5
69.40050	11.3
69.40472	4.9
70.06592	4.4
71.05008	2.6
79.05501	10.3
80.22718	1.8
81.03404	4.0
81.07055	40.5
83.04967	4.8
83.08615	5.8
85.02901	10.0
85.03609	2.0
85.06539	6.2
90.13164	2.0
91.03966	2.4
91.05482	18.9
93.07031	10.5
93.43431	2.1
95.04967	3.3
95.08612	16.9
97.02892	6.4
97.06512	3.6
99.08115	2.1
105.07031	19.8
106.07397	2.0
107.08584	8.5
108.19905	2.0
109.06537	4.3
109.10133	5.9
119.04937	3.9
119.08568	11.6
121.06504	3.7
121.10136	13.3
123.08079	4.3
123.11708	13.7
125.09604	3.8
128.07080	3.2
129.07016	3.2
131.08482	2.6
137.05972	21.1
137.09557	2.4
139.03906	8.0
145.10043	4.9
147.11691	40.4
151.03923	2.1
151.07553	21.6
152.07884	8.0
153.01785	9.6
163.03960	2.7
164.07101	2.8
165.12764	15.7
171.13763	2.2
177.07838	3.1
177.09213	2.7
183.94414	1.9
189.02388	1.9
189.12741	2.1
191.10649	4.0
192.11058	2.5
193.09740	3.3
193.12177	2.6
194.10030	3.3
210.62366	2.5
219.62830	2.6
229.14354	6.5
267.15933	31.1
285.16989	100.0
286.17108	2.5
289.16849	2.6
303.04135	2.3
319.03955	2.2
320.04514	4.3
320.07797	3.7
320.18591	6.1
352.69412	4.7
353.19226	3.2
394.22214	5.8
406.29691	2.2
482.12778	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	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27559	0.9
55.05504	2.1
57.03445	5.1
59.04999	2.7
61.02928	1.5
61.66460	1.1
67.05504	2.4
69.03433	19.6
69.07065	2.0
70.06611	2.2
71.05000	11.9
73.06551	2.9
75.04459	1.1
79.05491	4.5
79.08652	1.3
81.03409	2.8
81.07063	17.7
84.08147	1.1
85.02913	14.3
87.04472	15.1
91.03905	1.1
91.05476	3.6
93.07056	11.9
95.04994	1.4
95.08622	2.2
97.02902	18.1
97.06542	1.8
105.07040	2.4
107.08610	9.2
109.10171	1.9
115.03934	27.4
119.08575	1.5
121.06506	1.8
127.03908	3.4
133.04977	27.4
135.11710	19.4
137.05977	4.4
139.03876	1.2
145.04979	3.0
153.01862	1.8
153.12758	100.0
154.13142	1.2
161.06001	1.2
167.07149	1.6
177.07906	1.5
200.45497	1.0
210.75992	1.1
259.08124	2.0
273.39029	1.1
282.32196	1.2
285.16931	1.8
295.10428	1.3
318.06833	1.1
320.18607	2.2
390.30960	1.2
417.78445	1.1
429.22345	1.5
451.23599	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
64.18420	0.3
70.06571	0.7
70.70097	0.7
70.70417	0.3
77.03945	0.7
84.10200	0.4
91.05497	3.6
93.07046	6.5
95.04961	1.0
103.05476	3.3
105.04517	0.5
114.67536	0.4
119.04897	0.5
121.06510	100.0
122.06856	1.6
127.03881	0.4
137.06010	1.1
138.09145	24.8
139.03845	0.4
143.01796	0.4
143.03394	0.4
153.01822	9.7
153.03000	0.8
154.02142	0.6
154.08635	0.6
229.04419	0.4
233.04497	0.4
240.38731	0.4
310.04419	0.5
326.07227	0.5
364.05505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33359	0.5
53.03949	0.7
55.01867	1.5
55.05516	27.2
57.07071	1.3
58.99579	1.5
60.04525	0.6
61.01159	6.8
62.49931	0.6
69.03436	1.0
70.01006	1.8
70.06580	1.8
71.06105	0.6
72.04522	8.9
73.02924	1.6
74.00665	1.0
76.02240	4.4
78.03799	12.9
81.07045	0.6
82.06575	2.3
83.04987	67.7
85.02906	1.1
85.06548	1.1
86.06064	2.3
86.09731	0.6
87.02690	1.7
90.05561	0.7
91.05518	0.7
95.04928	0.8
97.02892	0.8
98.02397	1.2
98.06053	1.9
99.05547	0.9
102.03774	25.0
103.02193	1.5
104.01678	0.9
109.02914	0.9
112.07584	1.5
113.04242	0.7
113.06010	1.4
114.03761	5.1
115.08707	0.9
118.03291	0.9
120.04814	3.1
121.06498	1.5
122.02733	0.9
122.06142	0.6
124.07607	1.9
130.03215	0.9
131.06389	10.4
132.04799	12.8
137.06030	0.8
138.05531	1.0
141.06607	0.9
142.06879	5.7
142.08623	4.4
147.04468	0.8
147.05850	2.7
149.07449	49.7
150.07748	0.6
151.03915	1.4
153.01804	1.7
154.08624	8.8
156.06566	0.9
158.06387	1.4
159.05907	1.9
168.06593	1.0
175.05377	0.7
184.06070	1.4
184.09744	2.0
186.05865	2.0
202.10635	0.7
204.06908	3.9
207.06300	1.1
212.07437	0.7
230.04495	0.9
231.11607	4.2
240.31848	0.6
248.05637	0.7
253.67467	0.6
258.07993	2.5
261.12695	4.4
263.08878	1.6
269.12689	0.8
281.09985	1.0
281.39157	0.6
289.10400	5.4
307.87527	0.6
319.04547	1.2
320.04825	2.9
332.88028	0.6
335.10922	8.5
352.13608	100.0
353.13892	1.6
396.94031	0.6
400.06351	0.6
464.18890	26.4
465.18814	1.2
482.19315	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.098
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.03934	0.5
57.03428	0.6
61.02919	2.3
68.99788	2.3
69.03432	3.0
69.71921	2.2
69.72330	1.0
81.03412	1.7
85.02914	8.0
86.14799	0.6
91.03952	0.9
97.02919	3.2
98.21524	0.7
99.04449	0.6
109.02859	1.9
111.00816	2.0
127.03925	1.9
137.02353	2.2
145.04979	0.9
153.00568	0.8
153.01828	10.9
161.06026	0.7
165.01854	4.4
166.88014	0.5
179.03404	1.5
183.02887	0.8
189.05508	1.3
217.05005	4.2
219.02843	0.6
245.04475	5.3
255.02965	1.1
263.05560	0.7
273.03839	3.8
290.04123	1.0
301.03394	1.3
319.04507	100.0
320.04803	3.2
440.81064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.1
55.01867	0.3
57.03406	0.1
61.02928	0.2
65.03934	0.2
67.05495	0.2
68.24671	0.1
68.99786	1.6
69.03439	1.2
71.51228	0.2
71.51608	0.1
79.01867	0.2
81.03414	0.7
81.07044	0.2
85.02444	0.1
85.02909	2.0
91.05473	0.2
91.32520	0.1
93.03417	0.2
93.07021	0.2
95.08601	0.2
97.02897	0.8
99.04449	0.2
105.07018	0.2
109.02893	1.6
111.00808	2.9
111.04411	0.3
114.39191	0.1
121.02909	0.2
121.06496	0.4
123.04369	0.1
125.02341	0.3
126.03151	0.2
127.03907	0.9
133.02863	0.2
137.02351	2.3
137.05968	0.3
139.03899	0.5
143.03345	0.2
145.04965	0.4
147.04393	0.2
149.02298	0.2
150.89694	0.1
151.03935	0.2
153.01834	12.1
153.05464	0.4
161.05919	0.2
165.01843	3.8
166.02623	0.6
171.04457	0.2
177.05495	0.5
179.03423	1.3
183.02896	1.3
189.05470	1.0
191.03430	0.2
193.01328	0.4
194.02142	0.1
195.02885	0.7
199.03877	0.4
203.03380	0.8
207.02831	0.6
217.04962	4.4
219.02841	0.2
221.04434	0.5
227.03418	0.5
229.02855	0.1
229.05060	0.4
231.02928	0.5
234.04953	0.1
235.02388	0.3
235.06093	0.4
239.01892	0.2
244.03613	0.3
245.04453	6.1
255.02980	0.7
259.02426	0.2
263.05530	0.8
272.03137	0.3
273.03937	5.1
283.02448	0.1
290.04242	1.2
291.05054	0.3
301.03491	1.1
315.77963	0.1
319.04486	100.0
320.04803	1.7
481.09909	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.9
57.03439	2.0
57.07077	100.0
59.05002	33.8
63.51554	1.6
67.05502	2.9
69.07076	1.9
71.08634	75.6
71.51452	1.3
73.02921	32.6
73.98206	1.5
81.07024	3.3
82.61253	1.6
83.08638	2.2
85.10184	62.2
87.04478	1.8
89.06041	3.1
89.37106	1.5
91.05445	1.6
91.39837	1.3
95.08597	2.6
97.10176	3.5
99.11745	12.0
101.06020	1.8
101.09582	2.3
111.11732	1.8
113.13267	3.8
117.05441	1.9
117.09127	15.8
133.08739	1.8
155.17967	7.8
186.31091	1.6
190.99599	1.7
213.22145	8.4
271.26370	13.0
334.46423	1.8
347.49619	1.9
378.61984	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44888	1.9
52.42100	1.9
55.05503	1.6
57.03426	3.6
57.07079	100.0
59.04716	3.2
59.05007	60.7
60.23451	1.5
60.75151	1.8
69.07072	4.3
70.13155	7.8
71.08636	81.3
83.08607	2.8
85.10188	64.9
89.06052	1.9
97.10182	3.9
99.11736	14.8
101.09671	2.6
109.10201	1.6
113.13286	5.1
117.09139	22.9
128.67975	1.5
147.02037	1.6
155.17960	5.3
199.38501	1.7
213.22108	11.3
230.70685	1.6
271.26260	14.9
294.08026	1.7
321.68015	1.8
325.85400	2.0
463.39963	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
70.06595	2.0
71.49978	0.6
77.03902	0.5
81.03440	0.5
84.08138	1.0
91.05499	3.6
91.74553	0.3
93.07054	5.5
94.63004	0.4
95.04987	1.0
101.00879	0.8
103.05474	3.6
105.04518	0.5
113.00905	0.5
116.07109	0.5
119.01942	0.5
119.04956	0.5
121.06512	100.0
122.06855	1.1
130.08623	0.7
131.01920	0.6
137.05997	4.4
138.09149	31.2
143.01917	1.4
145.03491	0.5
153.01736	0.5
154.08653	1.3
155.01903	1.2
157.03476	0.5
161.02962	0.9
167.01880	0.8
169.03366	0.5
170.06670	0.8
173.02945	0.8
177.38226	0.4
185.03029	1.8
197.02901	0.6
198.06122	7.2
210.06161	0.6
215.03999	0.4
216.07195	3.3
222.25496	0.4
227.03992	0.5
228.07228	1.0
245.05104	5.3
258.08185	1.9
275.06204	0.8
286.07614	0.4
288.09299	0.4
293.10968	0.4
296.86664	0.4
305.07028	0.5
480.15060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3087
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
51.10242	0.5
55.05523	4.3
57.07064	1.5
64.12405	0.6
67.05493	1.7
69.07073	4.6
71.08651	0.7
71.51846	0.7
79.05461	1.1
79.19334	0.6
81.07040	1.7
82.33582	0.5
83.08614	2.1
89.06053	1.1
91.05469	0.5
93.07011	0.9
95.08577	1.0
96.08068	0.6
98.06062	7.4
112.07627	1.0
113.75995	0.5
121.10130	0.7
173.97571	0.5
291.11737	0.5
308.29492	100.0
309.29825	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3088
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
55.05515	13.4
57.03192	0.6
57.03439	7.1
57.06835	0.6
57.07079	6.3
62.06092	0.5
67.05184	0.7
67.05509	10.1
69.07072	18.4
71.08636	2.8
71.51259	0.9
79.05503	5.1
81.07057	11.3
83.04974	1.0
83.08154	0.8
83.08620	11.7
85.06564	1.0
85.10166	1.9
86.09695	0.9
90.31187	0.5
91.05512	0.7
93.07038	7.1
95.08609	11.1
97.06525	2.1
97.10168	6.2
99.08031	0.5
107.08591	3.7
109.10162	4.3
111.08084	0.7
111.11714	1.9
121.10162	6.0
123.11687	1.7
124.01591	0.6
135.11684	4.6
139.11153	0.8
149.13249	1.8
163.14804	0.6
177.16393	0.6
191.17853	0.6
227.20137	0.5
265.25354	0.9
282.61407	0.5
308.29495	4.9
312.03488	0.5
339.28952	100.0
340.29236	2.9
420.83603	0.6
428.19598	0.5
460.63843	0.6
480.34552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87360	4.3
51.65666	3.3
55.05518	29.5
57.07079	100.0
59.04991	3.7
67.05515	15.8
69.06738	3.9
69.07074	50.4
71.08637	84.1
71.35775	6.3
71.36105	4.1
79.05504	20.1
79.05890	4.3
81.07058	49.7
83.04992	18.5
83.08620	30.4
85.06527	4.7
85.10184	54.4
91.05477	6.2
92.02301	3.4
93.07062	34.5
95.08596	37.6
97.06539	7.7
97.10148	20.2
99.08107	5.3
99.11761	4.4
101.06017	34.5
102.00544	3.3
105.07019	4.8
105.42221	3.1
107.08609	30.8
109.06529	15.0
109.10161	18.1
111.08081	7.4
111.11711	12.4
115.07581	7.1
121.10160	22.2
123.11715	14.7
125.05976	8.3
125.09636	4.6
125.13265	8.2
127.07555	94.3
127.08485	5.6
129.05476	90.0
135.11720	21.4
137.13274	4.6
139.07570	7.8
139.11174	4.4
143.07059	6.2
149.09634	4.1
149.13264	25.6
153.12708	6.0
157.08699	5.3
163.14810	11.4
167.14307	5.9
177.16386	11.0
181.15851	4.9
191.17928	6.6
195.17383	4.9
205.19652	4.9
209.18991	6.0
219.21077	4.7
223.17015	4.4
226.84479	3.4
233.22829	6.6
237.22121	3.8
289.28818	11.2
307.29953	14.4
457.33200	3.6
479.37375	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	479.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.7
57.07084	67.5
67.05506	11.6
69.07067	16.9
71.05000	15.7
71.07085	7.8
71.07401	9.9
71.08637	69.0
73.06593	5.5
79.05520	9.4
81.07050	14.5
83.08635	8.4
85.10192	44.8
89.06035	40.8
93.07030	11.6
93.51630	6.1
95.08618	10.2
97.10209	6.2
105.07031	13.1
107.08620	16.1
109.06516	5.9
109.10138	9.8
113.13335	5.1
115.82436	5.2
118.26048	4.7
119.08556	8.2
125.06000	56.1
127.71510	5.7
135.08073	7.8
135.11761	6.5
145.10164	6.7
149.06023	6.3
149.09529	6.3
151.07550	33.9
153.05458	100.0
163.07573	12.3
165.09109	24.9
177.09163	16.5
179.10666	19.3
181.08757	6.1
191.10605	8.3
195.10162	6.8
259.00140	5.3
265.18161	7.6
275.19983	5.8
279.19598	9.8
307.22516	6.5
316.18991	5.9
419.35269	57.1
479.36899	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
65.03941	0.3
65.53313	0.3
67.05498	0.4
68.05031	0.3
69.29781	1.7
69.30208	1.0
70.06596	0.6
79.01851	1.9
79.12871	0.3
80.05012	1.2
81.03430	0.5
83.04950	0.4
85.39381	0.3
92.05007	0.3
95.01340	1.2
97.02928	0.4
106.49091	0.3
107.01357	0.4
108.04502	2.8
108.83893	0.3
110.06052	2.7
111.04431	0.4
120.08086	0.3
121.06519	0.7
124.29898	0.3
125.02351	1.2
126.05531	4.4
127.03955	0.4
136.03955	19.9
137.05905	0.6
138.05540	0.6
143.03394	2.1
153.01849	30.0
153.02943	2.2
154.05006	100.0
155.05370	0.7
171.02922	0.4
190.90331	0.3
192.06366	0.3
215.05737	0.4
241.98947	0.3
244.06189	0.5
245.06725	0.3
282.09784	0.3
304.75272	0.3
318.13718	0.4
319.04401	0.4
328.10300	15.9
379.28024	0.4
442.42441	0.3
480.11404	32.2
481.11996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01870	0.7
55.05508	4.9
57.03438	0.7
57.07064	1.3
64.02647	0.6
67.05184	0.8
67.05509	9.2
69.03423	1.1
69.07082	3.5
70.06573	1.1
71.51003	1.2
79.05492	4.7
81.03417	1.2
81.07068	11.6
81.79832	0.7
82.06586	0.7
82.07367	0.7
83.04961	2.0
83.08611	2.7
85.06517	1.7
85.90747	0.6
91.05479	4.6
91.20734	0.6
93.07053	5.0
95.04981	0.7
95.08620	6.7
96.90253	0.6
97.06531	1.3
97.10141	1.6
97.65125	0.6
99.04495	0.6
105.07019	3.8
107.04925	1.5
107.08591	3.0
109.02827	0.9
109.06541	1.5
109.10170	7.9
111.11686	1.1
112.81355	0.7
117.07001	1.5
119.08595	5.8
121.06493	1.9
121.10149	2.8
122.07295	0.8
123.11694	2.9
125.05986	1.1
125.09647	2.2
131.08557	2.1
132.87930	0.8
133.10150	2.9
135.08096	1.4
135.11736	1.3
137.06024	0.9
137.09610	11.5
137.13245	1.3
139.03915	1.0
145.10123	1.0
147.11697	1.5
149.09608	1.8
149.13278	3.1
151.07564	2.6
153.01857	3.1
153.12730	1.0
159.11838	0.8
165.09125	100.0
166.09436	1.8
167.07100	1.3
179.10681	1.0
187.07448	0.8
189.09163	1.1
205.12260	5.3
243.16103	0.8
289.21698	1.0
317.06451	1.1
369.23743	1.3
387.24341	1.9
405.25470	1.0
443.35236	1.7
456.55365	0.8
461.28156	1.7
479.29626	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14953	0.6
53.03945	1.3
53.64123	0.7
55.01861	0.8
55.05510	4.9
57.03416	1.1
57.07056	2.2
65.03933	0.8
67.05192	0.9
67.05511	10.4
69.03407	1.8
69.07069	4.6
70.06573	1.9
71.51643	1.2
78.32336	0.7
79.05496	4.6
81.03408	1.6
81.07057	11.6
83.04968	1.9
83.08601	1.8
85.02852	0.7
85.06548	21.0
91.05480	6.7
93.07045	5.4
95.04952	2.6
95.08611	7.7
97.06522	1.2
97.10172	1.1
99.08071	1.4
100.11253	1.0
103.05501	4.3
105.07039	5.1
107.04921	0.8
107.08583	4.5
109.06494	1.6
109.10174	7.7
111.04451	1.4
111.08108	0.9
115.05464	1.0
117.07028	1.7
118.04153	2.1
119.04935	1.0
119.08569	5.2
121.06553	3.5
121.10159	4.1
122.07246	0.9
123.04419	1.2
123.08044	1.2
123.11719	3.1
125.09627	2.4
127.03840	1.0
128.07066	0.8
129.06979	1.0
130.04161	1.3
131.04935	4.7
131.08586	2.1
133.02927	1.0
133.06444	1.1
133.10103	2.4
135.04437	1.2
135.08051	1.3
135.11662	1.6
137.02312	5.0
137.05966	5.4
137.09631	10.9
137.13292	0.9
137.15781	0.7
139.03903	1.6
140.04701	1.3
143.08563	1.0
145.10083	1.3
146.03624	2.1
147.04443	1.0
147.07973	0.7
147.11685	3.1
148.05182	1.0
149.05956	1.6
149.09641	1.4
149.13264	2.5
151.03935	1.5
151.07536	4.4
153.01862	4.4
153.05472	2.0
155.08505	1.0
157.10162	1.0
159.11722	0.7
160.05254	0.7
161.05945	2.0
161.09607	0.8
161.13232	1.5
163.03842	0.9
163.11261	0.9
163.14911	1.3
165.09120	100.0
166.09430	1.0
167.06999	1.8
171.08076	0.8
173.05905	1.1
175.07489	1.0
176.04662	3.8
177.05463	1.9
177.09100	1.3
178.06242	1.2
179.10667	0.6
181.08694	0.7
182.15408	2.0
187.03929	5.4
187.07442	0.7
189.09100	1.0
191.07086	5.3
191.10590	0.9
191.84254	0.8
192.07683	0.9
195.10188	1.7
205.12265	1.9
210.14906	2.0
213.05449	6.8
225.05569	0.9
226.06224	11.1
237.05469	2.2
241.04971	48.2
242.05701	14.4
243.06500	0.8
253.04942	2.6
254.05664	1.4
255.06540	2.4
256.62198	0.8
268.07178	0.7
269.04495	7.3
270.05243	26.2
271.03088	1.0
271.06036	21.0
281.04486	4.2
282.04736	0.7
283.06064	1.7
287.23590	1.3
291.26816	1.3
297.11053	0.7
311.05542	1.4
311.16647	1.0
313.07129	0.7
317.06555	2.4
325.07083	1.6
354.75586	0.7
387.24792	1.2
398.07846	0.8
400.09174	1.0
403.08170	0.8
431.07724	1.4
436.31619	1.9
443.35248	1.7
445.09000	0.9
449.12473	4.1
461.12262	16.3
461.29028	1.3
462.12964	0.9
479.13425	78.9
479.30341	1.8
480.13431	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	479.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
53.22103	1.0
55.01882	2.4
55.05514	12.0
57.03429	2.2
57.07077	1.3
64.33143	1.0
67.05511	17.1
69.03424	2.7
69.07075	14.7
69.25175	4.0
69.25599	5.6
69.62289	0.9
70.06614	1.2
70.92213	1.1
71.08624	1.0
79.05502	8.6
80.43097	1.1
81.03420	2.3
81.07063	34.8
81.07536	2.1
83.04996	1.8
83.08630	5.6
85.02941	1.7
85.06546	3.0
91.05492	7.5
93.07043	10.9
95.01346	1.6
95.04992	4.2
95.08621	17.7
97.06549	1.8
97.10180	3.4
99.00832	8.2
99.04474	2.2
105.07017	6.6
107.04934	1.9
107.08618	7.3
109.02891	1.2
109.06507	1.5
109.10165	8.6
113.00031	5.5
117.07027	3.2
119.08588	5.3
121.06523	2.1
121.10148	4.1
123.11747	5.6
125.05933	1.2
125.09653	1.6
126.69765	1.1
127.07525	1.1
128.83244	1.0
129.06989	1.9
131.08600	3.1
133.06439	1.5
133.10176	4.3
135.08084	2.5
135.11765	2.1
137.06070	1.9
137.13260	1.2
139.03972	1.1
140.66617	0.9
142.07838	1.1
143.08562	1.3
145.10187	3.1
147.11729	2.9
149.09671	1.3
149.13289	1.4
151.07533	3.0
153.01845	2.9
153.05458	3.0
155.08546	1.2
157.10091	1.8
159.08089	1.1
159.11723	2.1
163.03897	1.8
167.07068	1.1
169.02661	1.2
171.08102	1.4
171.11798	1.1
175.07603	2.8
175.11180	1.9
177.05511	4.1
177.09224	1.9
179.13130	1.1
181.04987	13.7
181.10167	1.4
183.06563	3.6
183.11827	1.4
185.07001	1.1
189.09123	11.5
191.07056	2.3
191.10701	1.4
193.12366	1.1
195.06555	21.5
195.13882	1.4
203.10730	2.7
205.08797	1.9
207.06544	1.6
209.08087	11.1
215.07986	1.0
221.08038	1.2
223.09666	13.3
235.09677	2.4
237.11244	15.8
240.95569	1.1
249.11214	8.5
251.12766	5.6
263.12805	3.4
265.14355	1.4
275.20111	1.3
291.15765	1.2
293.17523	1.3
305.17410	1.3
307.18973	3.5
317.06720	2.0
317.14929	2.7
319.19226	1.5
333.20712	1.4
349.23660	2.1
367.24762	2.1
369.24246	1.7
387.24652	1.3
443.31595	4.1
461.32739	100.0
462.33139	3.4
479.34140	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	479.3369
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
53.03939	1.3
54.88558	0.7
55.05271	0.8
55.05513	9.8
57.03440	1.0
57.07076	2.1
65.03924	1.2
67.05507	13.0
69.03420	1.5
69.07068	9.8
71.04961	1.8
71.08615	1.0
71.51475	1.2
73.93839	0.9
77.59349	0.7
79.05486	7.8
80.36628	0.8
81.03413	2.1
81.07059	26.9
83.04974	1.1
83.08622	4.5
85.02893	1.3
85.06532	3.0
91.05473	6.7
93.07039	6.0
95.04974	2.0
95.07998	1.2
95.08607	16.7
97.06516	1.3
97.10159	2.1
99.00827	5.4
99.04439	2.1
105.07044	4.7
107.04938	1.7
107.08573	3.6
109.06521	1.3
109.10166	6.1
111.08077	1.4
113.00018	1.3
113.02377	0.9
117.06997	1.8
119.08574	3.3
121.06483	1.8
121.10143	3.2
123.04411	1.4
123.08044	1.2
123.11705	3.0
125.05979	1.4
125.09638	1.2
129.07019	1.3
131.08539	2.1
133.10110	2.4
135.04379	1.1
135.08069	1.7
135.11684	1.6
137.05969	2.0
137.13229	1.5
139.03897	2.5
139.07614	0.9
143.08546	1.5
145.10092	2.3
147.08078	0.9
147.11641	2.7
149.05957	1.9
149.09567	1.4
149.13243	1.7
151.07562	1.8
153.01837	2.3
153.05484	2.8
157.10127	1.0
159.08012	1.0
159.11664	1.3
161.05904	1.4
161.09625	1.0
163.03894	1.8
163.07521	1.9
167.06998	1.1
171.08029	1.2
175.07542	2.7
177.05495	4.2
177.09125	1.1
181.04947	6.9
183.06506	3.1
187.07561	2.0
187.14833	1.1
189.09132	9.0
191.07088	1.2
193.12193	1.1
195.06546	19.6
203.10732	2.3
207.06523	2.1
209.08073	9.4
223.09676	10.6
235.09573	1.6
237.11243	11.1
249.11240	6.6
251.12770	3.3
263.12802	2.5
265.14264	1.9
275.20059	1.4
277.14523	1.4
279.15933	1.5
302.04153	1.0
307.19025	3.5
317.06607	1.0
319.19040	2.7
361.23685	1.4
369.24225	1.1
387.24963	1.6
405.25912	1.1
443.31467	3.7
461.32675	100.0
462.32922	4.9
479.33511	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
53.03959	18.3
55.01862	11.6
55.05521	32.1
57.03440	30.0
57.07084	4.3
67.05511	89.4
67.45553	3.1
69.03434	37.3
69.07066	32.2
71.01360	5.3
71.04976	6.5
73.02927	9.5
79.05502	69.8
81.03420	42.2
81.07061	100.0
83.04983	13.2
83.08615	12.9
85.02914	26.5
85.06554	7.6
87.04466	5.8
91.05491	70.7
93.07052	77.1
95.04963	21.0
95.08615	59.3
97.02892	20.9
97.06531	9.6
97.10193	6.5
99.04461	10.3
103.03916	12.6
105.04488	3.8
105.07029	50.3
107.04962	9.5
107.08595	43.4
109.02888	13.4
109.06534	8.4
109.10171	20.0
111.04439	5.1
111.08077	6.3
115.05471	5.5
117.07014	29.8
119.08592	52.4
121.06518	8.3
121.10154	33.9
123.04428	6.6
123.08035	9.5
123.11700	12.7
127.03901	22.9
127.62212	3.3
128.06238	9.1
129.05484	5.9
129.07021	20.7
129.55374	3.2
131.08569	34.0
133.06551	9.5
133.10130	34.3
135.08064	9.8
135.11710	16.5
137.09624	6.1
141.06966	6.1
142.07762	3.9
143.08611	19.7
145.04974	6.5
145.06479	9.3
145.10118	33.9
147.08025	7.2
147.11667	33.1
147.23723	3.7
149.05934	4.7
149.09607	5.1
149.13278	17.5
153.07045	4.3
155.08560	8.0
157.06467	3.5
157.10162	20.4
159.08057	8.4
159.11700	19.8
161.09587	7.1
161.13280	10.1
165.06937	3.1
165.12807	6.8
165.22842	3.1
167.08646	4.2
169.10100	7.8
171.08054	6.9
171.11674	7.1
173.09653	5.2
173.13228	16.9
175.11125	7.4
175.14841	6.9
183.06552	7.4
183.11748	6.9
185.09659	3.7
185.13263	11.2
187.11227	3.6
187.14851	8.3
189.12694	5.7
197.13327	4.8
199.11362	4.6
199.14743	4.5
201.12799	5.1
213.16548	4.1
257.18982	3.8
259.20605	5.8
261.22104	6.4
267.15979	6.7
271.20642	3.7
273.22165	8.0
285.22308	4.2
301.21442	5.1
303.23154	5.8
313.21628	4.4
315.23239	8.8
323.23920	3.9
327.23318	6.4
335.25894	6.5
341.24835	7.9
345.24161	6.6
351.23181	10.0
359.26050	4.4
369.24304	20.7
387.25308	17.7
425.26593	4.0
443.28006	19.7
449.29153	5.3
461.28903	39.7
474.34793	3.5
479.30051	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	14.1
55.01861	13.3
55.05516	36.5
57.03441	39.8
57.07069	8.1
65.03947	8.3
65.77071	3.6
67.05509	84.0
69.03439	51.9
69.07077	41.2
71.01357	8.1
71.04989	13.6
72.23384	3.6
73.02921	12.2
73.22199	3.8
79.05502	73.5
81.03431	58.5
81.07063	100.0
83.04971	15.0
83.08609	21.7
85.02911	29.7
85.06546	4.4
86.13008	3.3
87.04476	9.4
91.05494	61.5
92.05825	3.3
93.07052	76.0
94.27330	3.4
95.04988	20.9
95.08617	70.4
97.02898	25.9
97.06537	9.6
97.10191	9.6
98.06080	7.6
98.21529	7.8
99.04462	14.4
99.08064	3.9
101.02393	4.7
102.90990	4.7
103.03917	9.9
103.78976	3.6
105.07043	52.7
107.04945	10.2
107.08588	45.9
109.02869	21.2
109.06512	9.5
109.10165	30.8
110.47093	3.2
111.04436	8.6
111.08099	9.4
115.03941	7.6
115.05466	5.7
117.07023	31.4
119.08585	41.6
121.06514	6.3
121.10145	31.8
122.18579	3.5
123.04457	6.4
123.11727	4.1
123.68206	4.1
127.03938	25.1
128.06175	4.2
129.05513	5.5
129.07036	18.6
131.08591	43.8
133.06483	10.0
133.10141	31.2
135.08051	7.3
135.10822	3.2
135.11696	20.8
137.05936	3.4
137.09674	4.4
140.46156	4.2
141.07014	6.3
142.07805	7.8
143.08554	23.3
145.04942	5.7
145.06483	11.8
145.10121	32.2
147.08092	8.4
147.11710	26.2
149.09595	8.6
149.13252	12.2
155.08546	7.2
157.06479	5.4
157.10155	20.5
159.08110	5.4
159.11749	24.8
161.09641	7.0
161.13281	10.7
163.11255	6.4
163.14896	4.5
167.08670	3.8
169.10181	10.4
171.08023	6.3
171.11726	13.7
173.09602	8.1
173.13277	14.8
175.11162	7.0
175.14832	4.1
181.10181	4.0
183.06537	10.5
183.11729	5.9
185.13255	9.0
187.11235	5.0
187.14764	6.7
189.12805	5.7
189.16415	3.4
193.12163	3.4
197.13312	6.9
199.14816	6.3
201.07545	5.0
201.16489	4.8
203.10643	4.0
209.13310	4.7
213.12766	6.6
213.16440	5.4
214.88873	3.5
215.14450	6.5
219.13771	3.9
223.14868	4.6
259.20706	6.6
261.22171	11.4
267.15570	3.8
271.20602	4.1
273.22165	5.4
285.22269	4.9
301.21582	5.4
303.23059	4.5
306.27844	14.5
307.28256	81.8
315.23251	7.0
319.22891	3.8
327.23340	6.5
335.25876	4.6
338.27780	12.1
341.24622	5.1
343.22873	3.6
343.89438	3.6
351.23166	13.3
369.24359	24.1
373.48706	3.8
375.25208	4.4
387.25320	15.5
431.27835	4.5
443.28012	24.4
449.28888	6.0
461.29077	49.2
479.16812	5.4
479.29956	59.1
480.29987	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	479.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
54.91274	0.9
55.01857	2.1
55.05511	4.6
65.03938	2.8
65.71455	0.9
66.04700	1.1
67.05518	6.1
69.03425	2.1
69.07064	2.7
70.06585	4.1
70.16753	3.7
70.17091	1.1
71.04977	1.4
72.08134	1.1
79.05489	9.0
81.03410	2.2
81.07072	10.6
82.96450	0.9
83.04967	1.8
83.08611	2.0
84.08099	1.1
85.02908	2.7
85.06511	1.5
91.05492	24.3
93.07049	8.1
94.04167	4.2
95.04968	4.8
95.08617	7.4
97.06513	1.4
97.10130	1.4
103.05466	2.9
105.03308	1.1
105.07038	10.9
107.04959	5.1
107.08601	8.0
108.05726	1.4
109.06503	4.5
109.10170	5.2
115.05473	6.3
116.06244	1.2
117.07030	5.4
119.04946	9.5
119.08590	4.5
121.06503	10.9
121.10126	4.6
122.03642	8.6
123.04407	1.9
123.08074	8.0
123.11726	2.7
125.06035	1.2
125.09657	1.0
127.03944	1.5
128.06187	1.6
129.07043	5.7
131.04895	4.5
131.08562	4.4
133.06490	2.8
133.10126	3.3
135.08058	7.0
135.11687	1.0
136.05193	2.3
137.05986	100.0
137.09605	3.7
139.03891	3.3
143.04932	3.0
145.06479	3.6
145.10107	1.4
146.03625	1.4
146.07271	1.6
147.08069	2.0
147.11710	1.9
148.05219	1.3
149.05989	3.7
149.09645	5.4
149.13222	1.5
151.03897	4.0
151.07555	72.9
152.07954	1.3
153.01845	9.3
153.06844	1.3
157.06473	3.7
157.97610	0.9
159.07983	1.1
159.11685	1.2
160.05202	1.0
161.05986	23.2
161.09601	3.9
162.06601	1.2
163.03885	1.1
163.07547	7.3
163.11218	0.9
165.05614	1.1
165.06990	2.5
165.09120	21.0
167.07080	2.0
167.08577	2.4
169.06573	1.2
171.08093	1.3
174.06776	2.4
175.07573	7.2
177.05511	1.7
177.09097	10.1
178.07771	1.9
179.08551	1.7
181.05008	1.3
181.06517	2.9
185.05862	1.0
187.07547	4.3
189.05482	1.3
189.09117	12.1
191.08583	1.5
191.10626	2.0
191.14246	1.3
193.06470	1.1
193.08615	1.2
194.07350	2.5
195.08289	2.1
195.10181	35.8
202.07645	1.1
205.06512	4.4
205.08507	1.3
205.12283	1.3
207.08093	3.3
207.10165	8.3
209.05902	1.2
210.06787	1.9
211.07591	1.8
213.05382	1.9
213.09081	2.1
219.08109	3.1
221.06035	2.3
222.06686	2.2
223.07581	2.1
225.09056	3.7
233.06004	3.4
234.06731	2.8
235.07574	1.8
237.09132	8.9
238.06302	2.0
239.10583	1.2
240.07716	1.8
241.04994	16.7
241.08604	1.7
245.09811	1.4
247.07457	2.0
248.08250	1.0
249.09070	2.7
250.06248	1.8
251.06949	2.0
251.10838	1.9
253.08635	5.3
255.10190	2.3
261.09048	2.0
264.07739	1.3
265.08597	17.9
266.09369	1.4
267.10153	2.9
268.07303	1.4
269.08188	2.9
270.05200	1.4
271.05997	2.4
273.08905	1.9
273.11545	1.8
277.08676	2.4
277.12146	1.4
279.10214	1.8
282.08914	1.6
283.09750	7.5
284.10379	1.6
285.11267	10.8
297.11261	19.6
298.11801	1.5
299.12805	3.9
305.11789	3.6
311.12842	11.7
317.06479	2.4
317.13889	6.5
323.12781	4.0
337.14410	4.5
341.14096	1.4
355.15439	1.3
369.23660	1.4
393.18704	1.6
401.13712	1.5
422.29987	1.0
424.35553	1.1
435.18738	1.7
461.19443	1.2
461.28284	2.0
479.13196	14.0
479.19611	10.5
479.26901	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	479.1907
Annotation	Epimedoicarisoside A
Peak:m/z	Relative Intensity
55.01873	0.7
55.05514	2.9
56.05857	0.6
57.03436	0.8
65.03933	0.5
67.05508	2.9
69.03427	1.1
69.07063	1.2
70.06587	0.6
71.04984	0.4
71.50735	0.6
79.05505	3.1
80.05847	0.4
81.03392	0.5
81.07065	4.2
82.07402	0.5
83.04984	0.8
83.08621	1.2
85.02898	0.6
91.05478	2.2
93.07054	2.8
94.07416	0.4
95.04994	1.0
95.08594	2.4
95.18265	0.4
97.06551	0.6
97.10165	1.4
98.10504	0.4
100.50301	0.4
105.07023	2.0
106.07409	0.4
107.04945	1.2
107.08614	1.8
109.06526	1.3
109.10146	1.5
112.11093	0.4
117.07031	0.9
119.08582	1.1
120.93626	0.4
121.06521	1.3
121.10163	1.4
123.04424	0.5
123.08076	0.9
123.11765	0.6
125.09633	1.0
126.09962	0.5
129.07002	0.4
131.08598	1.1
133.10129	1.1
135.08102	0.5
135.11708	0.5
137.05965	0.5
137.09572	0.8
139.03920	0.8
139.07573	0.4
143.08611	0.5
147.08141	0.6
147.11649	0.9
149.02341	1.0
149.09705	0.6
149.13292	0.5
151.07608	0.4
153.01863	1.8
154.32080	0.4
155.05508	0.5
163.11232	0.5
165.09126	3.8
167.07152	0.6
169.07129	0.7
182.57237	0.4
189.11205	0.6
195.08583	0.5
197.10100	0.4
203.05263	0.6
213.09856	0.5
215.11324	0.4
221.10335	0.7
225.13319	0.6
233.10335	0.6
239.11359	0.8
243.14494	1.1
245.07895	1.4
251.11293	5.3
257.10034	0.6
261.07330	1.7
269.12402	5.6
275.10999	3.8
275.15591	0.5
287.13480	3.1
292.13962	0.5
299.12607	2.2
317.06656	0.7
317.13684	1.7
351.22366	0.7
368.22830	0.7
369.23386	1.4
385.23761	0.5
386.24005	0.8
387.24411	2.5
405.25003	0.7
423.12497	1.2
461.22910	1.0
461.29242	1.9
479.18921	100.0
479.24841	6.5
480.19177	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	479.134
Annotation	Phelligridin F
Peak:m/z	Relative Intensity
53.03933	1.1
55.01851	1.3
55.05516	4.1
57.03426	0.7
57.07060	2.3
67.05179	0.8
67.05504	9.2
68.53082	0.6
68.99766	0.7
69.03418	1.9
69.07072	3.3
70.06583	1.2
71.50788	0.7
71.51193	1.5
79.05492	5.3
81.03404	2.0
81.07055	10.1
83.04970	1.7
83.08615	1.6
85.02890	0.9
85.06550	18.1
91.05486	5.0
92.05754	0.7
93.07043	4.2
94.04164	0.7
95.04944	3.1
95.08611	5.8
97.06496	1.0
97.10151	2.4
99.05990	0.6
99.08093	1.0
102.04684	0.9
103.05476	4.3
105.03407	0.9
105.04529	0.8
105.07031	4.4
107.04951	2.3
107.08602	4.3
109.06487	1.4
109.10157	7.6
111.04394	0.7
117.07025	1.2
118.04146	1.9
119.04904	1.2
119.08588	4.7
121.06520	3.2
121.10135	2.9
122.07269	2.0
123.04475	0.9
123.08068	0.9
123.11688	3.9
125.05988	0.8
125.09618	2.0
129.07005	1.3
130.04138	1.4
131.04913	4.5
131.08531	1.2
132.05733	1.5
133.02820	1.1
133.06447	1.1
133.10104	1.4
135.04362	1.1
135.08026	1.0
135.11687	1.5
137.02348	5.8
137.05994	4.9
137.09618	10.5
137.13228	1.1
139.03891	1.8
140.04692	0.9
140.89450	0.6
145.06509	1.0
145.10147	1.8
146.03627	2.6
147.04337	1.1
147.08038	0.8
147.11678	2.2
148.05206	1.0
149.05969	0.9
149.09599	0.8
149.13203	2.0
151.03889	1.8
151.07520	4.9
153.01796	4.3
153.05444	1.4
154.06212	0.8
155.03337	0.7
155.08652	0.7
157.06448	1.1
159.11790	0.9
161.05959	1.7
161.13284	0.8
163.03893	1.3
165.09117	92.7
167.07056	1.7
173.05917	1.1
176.04700	2.5
177.05504	2.5
177.09050	1.1
178.06308	3.2
179.10657	1.0
182.21396	0.8
185.06062	0.8
187.03946	6.2
189.09082	1.0
191.07031	4.9
191.10678	0.9
192.07707	0.7
195.10219	1.6
197.05920	0.7
205.12247	2.0
213.05411	7.4
225.05496	1.2
226.06250	10.4
237.05470	2.0
241.04964	59.2
242.05721	19.3
246.15164	0.9
253.05061	1.5
254.05713	3.0
255.06494	3.0
269.04465	9.0
270.05243	31.0
271.06018	24.0
281.04385	5.2
281.11908	0.7
283.06061	2.6
284.06778	1.6
291.26901	1.0
311.05478	1.6
312.22284	0.6
317.06601	2.1
325.07086	1.9
403.08182	0.9
431.07733	2.0
443.35178	1.9
445.09143	0.7
446.10007	1.1
449.12289	6.0
461.12338	24.0
461.28448	1.3
461.36255	0.7
479.13412	100.0
480.13565	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1188
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
57.59262	0.5
67.05476	0.5
69.03423	1.8
70.06583	0.8
71.04971	0.9
72.08161	1.1
81.03412	1.5
84.08155	0.7
85.02912	4.4
86.09711	1.2
91.05481	0.9
93.07072	0.6
97.02878	1.4
97.06519	0.6
109.02897	0.8
110.03650	1.3
120.08148	0.8
127.03931	0.8
137.02368	2.4
139.03912	0.8
153.01804	6.0
161.06046	0.7
200.04675	0.9
204.04150	0.7
228.04164	3.3
229.04951	1.3
245.04475	2.0
257.00751	0.9
257.04404	1.5
273.03879	1.2
274.04712	4.5
285.00510	0.9
285.03860	1.2
301.03455	11.5
302.04218	51.0
303.04599	1.2
317.03326	3.9
317.06567	100.0
318.06992	1.6
359.07687	0.7
401.13727	0.8
447.14258	1.0
461.15286	0.8
468.65979	0.6
478.39276	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1187
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.21504	0.2
57.03435	0.5
59.30886	0.2
61.02925	0.5
61.04009	0.3
69.03426	1.3
69.67115	0.7
69.67522	0.6
71.04990	0.5
73.02911	0.3
81.03430	0.6
81.91325	0.2
83.83894	0.2
85.02909	3.4
89.15298	0.2
92.02633	0.5
93.03423	0.3
97.02910	1.3
98.21422	0.3
107.08575	0.2
122.03654	0.3
127.03930	0.6
133.02850	2.2
137.05991	1.0
139.03859	0.3
145.04993	0.6
150.03136	1.1
151.03940	0.4
151.07484	0.2
153.01834	12.5
162.31303	0.2
165.01819	0.4
165.05472	4.0
167.03378	0.3
179.03398	0.7
201.05547	0.2
202.19322	0.2
205.04930	0.6
217.04860	0.3
218.05719	0.4
228.04295	0.5
229.04996	0.8
232.03653	1.2
245.04393	0.6
246.05254	0.6
249.10397	0.2
257.04532	0.5
263.88336	0.2
264.12262	0.3
265.13409	0.3
266.13672	0.8
273.03961	0.6
274.04733	3.4
280.11548	0.4
285.03836	1.2
302.04236	24.9
303.04654	0.7
309.12308	0.2
310.12762	0.6
317.06573	100.0
318.06967	2.4
323.99121	0.2
327.04889	0.4
333.06091	0.7
337.11606	0.3
338.03629	0.2
338.12238	1.4
339.13086	0.5
457.79764	0.2
460.55771	0.3
479.12149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03931	0.8
57.03437	1.2
61.02921	1.4
64.67202	0.8
65.40211	0.7
69.03431	3.5
69.83676	4.1
71.04996	5.8
85.02434	1.2
85.02907	14.3
86.27280	0.8
93.03420	1.6
94.35763	0.8
97.02900	2.9
111.32673	0.8
121.02907	1.0
127.03938	1.3
129.05440	0.8
139.03893	1.4
145.04977	2.0
151.03964	1.4
153.01810	8.8
165.01849	1.3
175.03828	0.7
188.53239	0.8
192.77869	0.7
217.04918	1.7
228.04239	1.1
229.04948	3.4
245.04486	2.1
246.05139	1.0
257.04419	1.7
273.03961	2.2
274.04657	5.0
285.03998	4.2
301.03284	1.4
302.04214	18.1
317.06573	100.0
318.03589	1.5
333.06055	21.7
336.06964	0.9
373.38467	0.8
479.11801	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
51.66111	0.2
55.45647	0.2
58.04543	0.2
65.66163	0.2
69.03406	0.3
70.01991	0.9
71.26905	0.2
80.73507	0.2
85.02872	0.7
91.97742	0.2
93.07058	0.2
97.02875	0.3
100.12750	0.2
153.01828	0.8
203.03401	0.2
228.04118	0.4
273.03986	0.4
274.04730	22.1
275.05029	0.2
302.04227	42.1
303.04575	0.6
315.05246	0.3
317.06570	100.0
318.06976	1.6
470.63489	0.2
479.11890	26.0
479.28058	1.0
480.12228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.4
51.02378	1.0
51.11068	0.2
53.03950	0.4
55.01868	0.4
55.05518	0.5
59.54155	0.2
64.73571	0.2
65.03953	0.6
67.05514	1.2
67.64516	0.2
69.03434	0.5
71.34731	0.4
72.08167	0.3
79.01855	5.2
81.03416	0.5
83.04984	1.2
87.00838	0.3
91.05463	0.6
93.03390	0.3
95.04970	4.0
96.79329	0.2
97.02901	1.4
97.24113	0.2
107.01322	1.2
109.02888	1.1
111.04427	1.3
115.72865	0.2
119.04967	0.3
121.02832	0.2
123.00823	0.3
123.18165	0.2
125.02335	2.8
127.03935	1.6
132.95802	0.4
137.05974	0.4
138.06339	0.4
139.03911	0.7
143.03404	5.7
147.04405	0.3
151.03923	0.3
153.01837	100.0
153.02892	5.6
154.02185	0.9
162.09196	0.5
165.05545	0.2
171.02930	1.9
174.96898	0.4
177.05484	0.7
180.10243	0.4
208.09703	0.8
245.04544	0.6
265.15555	0.3
290.98026	0.4
309.06049	23.3
310.06427	0.3
327.07138	0.4
443.14511	0.4
461.15933	0.5
461.22702	0.3
479.08194	2.5
479.16449	1.0
479.22018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.2
51.02380	0.6
53.03934	0.2
55.01876	0.2
55.05510	0.4
60.41709	0.2
65.03938	0.5
67.05515	1.3
69.03413	0.4
69.40485	1.5
79.01855	4.6
81.03408	0.4
83.04992	1.6
91.05451	0.2
93.03420	0.2
95.04973	3.9
97.02887	1.0
103.36670	0.2
107.01324	1.4
109.02876	1.1
111.04440	1.4
121.06517	0.2
125.02362	2.5
127.03928	1.7
137.05989	0.2
139.03928	0.4
143.02310	0.4
143.03400	6.1
153.01836	100.0
153.02879	5.0
154.02162	1.1
171.02905	1.6
172.93167	0.2
191.43227	0.2
208.09673	0.4
209.48187	0.2
245.04442	0.6
309.06046	23.3
310.06445	0.5
325.89725	0.2
405.10464	0.2
479.08340	2.3
479.15500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.38520	1.4
54.44944	1.2
55.05520	11.7
55.32514	1.3
57.03430	4.8
57.07087	1.5
58.11580	1.3
60.58372	1.5
62.05797	2.0
62.06098	31.0
67.05508	28.8
69.07074	18.4
69.74827	6.4
79.05491	5.8
81.07066	35.1
83.08618	5.8
89.10582	1.6
91.05487	5.5
93.07048	8.9
95.08607	21.0
97.06483	1.6
97.10155	1.6
98.06049	6.9
98.98474	9.8
105.07041	4.2
107.08611	4.9
107.28133	1.4
109.10181	9.2
119.08600	3.2
121.10166	3.6
123.11721	4.0
124.01631	1.8
133.10153	3.9
135.11754	2.4
137.13281	2.1
149.13316	2.7
155.01073	6.5
161.13354	1.4
173.02220	2.0
216.06392	2.3
239.41264	1.3
245.22551	2.1
263.23706	6.2
289.00452	1.5
306.27951	56.7
319.26343	2.1
337.27386	100.0
338.27902	1.7
460.28751	1.9
478.29144	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	5.6
55.86639	0.5
57.07068	0.8
62.06076	1.7
67.05509	6.9
69.07078	5.4
69.86681	2.9
73.17536	0.5
74.74531	0.5
79.05488	2.3
81.07059	5.8
83.08619	2.0
84.59925	0.5
85.05312	1.1
91.05487	0.9
93.07043	1.6
95.08614	3.0
97.10159	0.7
98.06064	11.2
98.98475	2.0
105.07064	0.7
107.08641	0.7
109.10158	0.9
112.07594	0.9
119.08582	0.7
121.10155	0.8
131.08545	0.7
135.11708	0.6
137.17793	0.5
140.10773	0.5
149.02362	1.4
154.12294	0.6
173.02017	0.5
193.05002	1.5
196.16992	0.6
208.16946	1.1
264.84836	0.6
306.27939	100.0
307.28336	1.9
312.32626	0.8
324.28790	0.8
337.27286	1.0
478.35394	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2929
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
53.03944	0.9
55.05275	0.7
55.05513	11.0
57.03442	6.5
57.07063	1.7
65.03940	0.9
67.05508	25.5
69.07073	14.5
70.90727	0.5
70.91060	1.0
71.08637	0.9
71.19131	0.6
79.05495	6.8
81.07060	24.8
83.04979	0.5
83.08620	7.1
83.17559	0.4
85.06535	0.7
91.05467	4.3
93.07053	6.5
95.05023	0.6
95.08611	18.4
97.06525	1.4
97.10172	3.6
98.06055	0.9
105.07049	3.5
107.08569	4.1
109.10165	6.0
111.11768	0.6
119.08572	2.2
119.60817	0.4
121.10166	2.3
123.11672	1.4
124.01614	0.6
133.10130	2.2
135.11690	1.6
137.13271	0.8
143.21422	0.5
147.11691	2.0
149.13268	1.4
161.13216	0.7
163.14836	0.5
168.67783	0.5
175.14867	0.8
198.05275	0.6
229.07175	0.5
263.23779	1.1
272.79993	0.6
306.27887	8.9
330.74692	0.6
337.27374	100.0
338.27731	2.9
451.21973	0.5
485.29156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14778	2.0
55.05517	5.3
56.90435	2.2
66.14220	2.1
67.05505	3.8
69.07064	2.3
71.04984	6.3
71.05390	3.9
77.03914	2.5
77.18287	2.0
79.05492	14.9
81.07059	21.1
83.05001	3.3
84.97821	2.0
85.06533	4.6
91.05479	9.9
93.07049	41.5
95.04967	4.3
95.08606	5.5
97.06523	5.8
99.04454	9.4
105.07018	15.7
107.04980	8.5
107.08604	19.3
109.06536	19.9
109.10145	3.4
111.08038	2.6
117.07006	2.8
119.08604	14.7
121.06503	23.1
121.10136	3.8
127.07526	8.0
131.08566	4.8
133.06442	2.2
133.10146	10.1
135.04405	5.8
135.08051	11.4
135.11684	3.4
137.05968	4.0
137.09610	3.6
142.07817	2.6
143.08609	7.7
145.10124	6.6
147.08119	4.1
147.11713	22.6
149.09555	2.3
151.07549	3.6
157.10141	11.9
161.13240	5.9
165.09099	6.2
171.11673	14.6
173.09744	5.0
173.13263	3.0
175.11131	11.5
177.75952	2.0
189.12738	16.3
199.11166	17.8
207.13812	22.1
217.12245	42.5
235.13292	100.0
253.14363	32.8
321.13608	2.8
339.14310	7.6
370.82571	2.2
479.19141	3.4
502.98270	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	477.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31010	0.6
52.64010	0.6
53.79151	0.6
55.01884	2.0
55.05516	12.8
56.75196	0.6
57.03434	1.6
57.07084	1.4
59.04999	1.4
65.03947	0.8
66.12825	0.5
67.05512	11.7
69.03445	2.2
69.07073	26.8
69.89878	1.2
69.90279	3.0
71.05002	1.1
74.71234	0.6
79.05505	10.9
81.03418	3.4
81.07057	14.7
83.01366	1.4
83.05006	2.2
83.08625	5.3
85.02931	1.0
85.06564	1.8
87.70647	0.6
91.05482	9.4
91.77393	0.5
93.07059	10.3
95.01351	1.0
95.04974	4.3
95.08626	9.8
97.02927	1.0
97.06565	2.5
97.10167	4.1
99.00826	5.3
99.04500	1.6
105.07032	7.4
107.04981	3.7
107.08606	6.7
109.06535	2.0
109.10159	6.9
109.10715	0.6
111.08111	1.7
111.11762	1.5
113.00015	1.1
113.02362	1.3
115.05497	0.8
117.01852	0.7
117.07048	4.3
117.07777	0.6
119.08601	4.9
121.06496	3.7
121.10142	3.9
123.08144	1.2
123.11741	2.0
125.06029	1.3
125.09647	4.1
128.06235	0.9
129.07027	3.3
131.04924	1.0
131.08569	5.0
133.06528	1.6
133.10199	3.7
135.04486	1.1
135.08098	1.9
135.11755	2.3
137.06024	2.3
137.09674	1.1
137.13280	0.8
139.07603	1.2
139.11209	1.1
141.07025	1.1
143.08598	2.4
145.06546	2.4
145.10155	3.5
147.08084	1.4
147.11752	2.8
149.09644	1.8
149.13339	1.3
151.07628	2.5
153.05528	2.0
153.09167	1.0
155.07117	1.3
155.08505	1.4
157.06493	1.0
157.10226	2.6
159.08136	0.8
159.11775	1.2
161.09698	1.6
163.03899	1.0
163.07611	1.0
163.11221	1.3
165.09195	2.4
167.07188	1.0
167.08560	1.4
169.10217	1.7
171.08069	1.3
171.11714	1.3
173.13347	0.9
175.07616	2.0
175.11253	1.7
177.05640	0.8
177.09137	1.3
179.10796	1.6
181.04955	8.5
181.06252	0.6
181.10139	0.9
183.06638	1.1
183.08089	0.6
183.11801	1.0
185.13477	0.8
187.14876	0.9
189.09235	2.5
189.11328	1.9
189.12918	0.7
191.07097	1.2
191.10686	1.0
193.12363	2.0
195.06546	17.6
195.11855	0.7
197.09676	0.8
197.13420	1.1
199.11165	1.1
199.14687	0.8
203.10580	0.8
205.12196	1.0
209.08072	7.6
213.12907	1.3
215.14430	1.5
219.13837	0.8
223.09627	10.9
227.12869	1.9
231.13889	1.1
233.15578	2.1
235.09669	1.2
237.11172	7.6
247.13312	0.7
249.11372	2.8
249.14954	1.5
251.12788	3.8
255.13913	0.8
263.12845	0.9
265.14581	1.5
267.16049	1.0
272.03906	0.6
273.15082	0.9
273.18457	0.9
280.16687	0.6
287.67291	0.7
291.19675	1.4
293.17740	2.3
305.17819	1.3
319.19000	0.7
321.20996	1.5
349.21826	2.3
354.79678	0.7
357.24512	1.4
367.22751	4.2
385.23700	6.8
392.04877	0.7
400.57111	0.7
403.25009	2.5
415.32205	0.8
429.26459	1.0
441.26767	2.6
459.27179	3.5
459.32629	5.6
464.12177	0.7
477.32416	100.0
478.32712	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	477.2848
Annotation	Lucidenic acid G
Peak:m/z	Relative Intensity
50.91825	2.6
51.23302	3.3
53.03943	8.2
55.01863	13.2
55.05516	38.7
57.03443	21.6
60.04507	7.4
67.05505	52.4
69.03447	13.9
69.07079	21.7
70.16724	12.4
71.01369	4.8
71.04992	6.1
73.02914	4.2
79.05495	48.4
81.03416	22.5
81.07058	47.5
83.04982	10.6
83.08616	14.3
85.02893	11.9
85.06541	4.4
87.94089	2.9
91.05476	49.0
93.07042	43.6
95.04942	14.7
95.08620	27.2
97.02890	10.2
97.06551	7.6
97.10152	9.0
98.97583	3.9
99.04438	4.1
103.04008	3.4
103.05467	3.8
105.07038	44.3
107.04954	13.8
107.08630	24.8
109.06514	5.3
109.10159	14.3
111.04471	6.0
111.08089	4.0
112.99995	4.4
115.05467	4.5
117.07028	31.8
119.08585	27.3
121.06499	12.0
121.10110	10.4
123.04428	4.1
123.08061	3.4
123.11700	4.8
125.09612	5.9
128.06238	10.1
129.05487	5.2
129.06999	38.8
130.07764	3.6
131.08580	45.8
133.06473	13.5
133.10126	20.1
135.08031	4.8
135.11691	6.7
141.07010	21.4
142.07768	12.4
143.08574	35.9
144.05724	3.7
144.09392	3.6
145.06451	16.8
145.10126	33.8
146.75401	3.1
147.08034	8.3
147.11685	10.8
149.09599	3.7
149.13264	4.2
152.06216	4.1
153.07028	8.5
153.12718	3.2
154.07765	8.1
155.08580	36.3
156.09399	4.1
157.06500	13.7
157.10149	28.5
158.99632	3.3
159.08070	12.5
159.11719	21.9
161.09555	3.9
161.13303	6.7
163.11133	3.9
165.06982	6.7
167.08601	17.8
168.09309	3.8
169.06451	6.7
169.10138	29.3
171.08058	15.3
171.11699	26.4
173.09607	10.0
173.13237	9.6
175.11244	5.1
175.14754	3.5
179.08586	8.1
180.09464	3.2
181.10133	13.6
183.08040	7.4
183.11684	23.9
184.08850	4.2
185.09599	16.0
185.13290	19.9
187.07492	4.2
187.11182	9.8
187.14885	4.0
189.11157	4.2
191.10564	3.2
193.10149	8.8
193.12106	3.5
195.08063	7.0
195.11761	14.6
197.09694	7.6
197.13297	14.8
199.11235	9.9
201.08884	3.5
201.12691	4.3
207.11739	5.5
209.09665	11.4
209.13264	9.7
210.10448	3.3
211.11174	8.4
211.14856	6.0
213.12773	7.0
215.14389	4.5
219.11784	4.5
221.13293	6.1
223.11098	4.8
223.14880	5.9
225.12750	7.2
229.19505	3.4
233.15358	5.3
235.15060	3.7
237.12701	4.2
239.14293	4.0
251.14371	3.9
259.20343	3.7
277.21606	4.8
283.20642	4.0
285.18539	3.9
291.19666	5.1
293.22903	3.3
295.20627	9.4
297.21985	5.3
313.21509	10.1
316.28687	6.3
321.22296	6.0
325.21573	9.4
337.21478	5.1
339.23227	12.0
341.21036	5.0
343.22711	5.3
349.21518	26.8
354.14273	3.0
357.24231	6.7
361.23846	4.5
365.23285	4.7
367.22614	45.8
367.26767	3.8
373.23853	8.0
375.25116	3.4
385.23810	34.2
387.25208	11.0
399.25259	8.7
403.24731	15.6
413.27036	5.3
417.26361	15.6
423.25208	11.1
429.26361	15.4
441.26361	72.3
442.26840	4.6
459.27405	70.0
477.28421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2852
Annotation	Lucidenic acid H
Peak:m/z	Relative Intensity
53.03942	6.6
55.01865	9.0
55.05520	25.8
57.03440	14.7
57.07084	4.1
65.03966	2.3
67.05186	3.2
67.05513	48.1
69.03441	13.6
69.06789	2.1
69.07076	25.2
71.01346	3.4
71.04972	6.0
73.02901	4.2
79.05504	38.0
81.02987	3.0
81.03424	33.6
81.07061	51.4
83.04980	9.2
83.08641	11.4
85.02905	4.5
85.06544	3.4
91.05492	49.9
93.07057	38.3
95.04987	15.9
95.08605	31.0
97.02888	5.5
97.06521	6.1
97.10155	7.9
99.04469	8.4
103.03943	2.9
105.07040	49.5
107.04952	9.4
107.08615	20.8
109.06519	9.3
109.10170	11.7
111.04451	3.7
115.05462	7.7
116.06223	3.3
117.07020	33.7
119.04945	3.8
119.08591	37.5
121.06510	9.6
121.10138	17.9
123.04420	4.4
123.08057	6.6
123.11749	4.2
125.09641	4.8
127.03933	2.5
128.06250	13.9
129.05534	4.1
129.07018	32.4
130.07805	5.6
131.04956	4.5
131.08585	42.8
133.06500	9.4
133.10152	18.7
135.08083	7.3
135.11699	9.8
137.05989	6.2
137.09627	5.1
141.06992	19.5
142.07788	8.4
142.49907	1.9
143.08566	35.8
145.06519	12.0
145.10138	35.1
146.07301	2.5
147.08041	11.0
147.11705	17.1
149.05956	2.4
149.09567	5.6
149.13242	3.0
151.07516	3.6
153.06996	7.5
154.07805	6.2
155.08562	23.5
156.09285	4.3
157.06532	8.5
157.10114	29.1
158.07220	3.7
159.08069	13.2
159.11722	14.2
161.05969	2.2
161.09650	6.5
161.13295	3.9
161.83025	2.2
165.06996	5.9
165.09171	3.3
166.07799	3.4
167.03406	2.2
167.07335	3.0
167.08559	15.5
168.09349	6.4
169.06487	3.8
169.10126	28.1
170.10864	3.2
171.08084	11.2
171.11729	20.4
172.81523	2.3
173.09587	10.7
173.13298	11.1
175.11211	5.0
178.07713	2.4
179.08553	7.3
181.06625	2.7
181.10097	19.4
182.07343	4.3
183.08081	8.8
183.11729	23.5
185.09622	13.3
185.13278	15.3
187.07588	3.5
187.11243	8.0
187.14868	6.7
189.12755	3.9
192.09399	2.8
193.10156	9.0
193.12225	7.1
195.06477	2.4
195.08044	5.1
195.11725	8.2
196.08719	2.6
197.09648	10.0
197.13239	11.3
199.11185	7.9
199.14836	4.9
201.12781	4.7
205.10260	5.0
207.11804	7.0
209.09653	9.3
209.13361	8.0
210.10368	2.4
211.11194	7.4
211.14828	5.4
213.12805	8.0
213.16426	2.5
215.10796	2.6
215.14284	4.6
219.11801	4.5
221.13205	6.1
223.11203	5.3
223.14838	5.3
225.12810	5.7
227.12779	6.3
233.15343	4.2
235.15030	2.8
237.13031	4.0
237.16469	3.7
239.14363	5.2
239.18089	3.3
241.19514	3.2
251.14389	4.4
253.19482	2.9
255.17381	3.1
261.14621	2.8
267.15991	6.2
283.17523	2.8
283.20636	6.2
295.20578	4.3
297.22040	4.1
299.20175	4.2
301.21823	3.4
307.20609	6.2
311.20135	4.8
313.21735	5.8
321.22244	4.4
323.20090	3.2
325.21539	11.1
337.21555	4.9
339.22925	11.8
343.22641	5.5
349.21634	20.0
357.24277	5.5
367.22699	34.5
373.23865	7.1
375.25214	4.1
385.23749	26.3
387.25461	12.8
389.27130	3.0
399.25299	4.6
403.24588	10.4
413.26840	5.5
417.26431	14.4
423.25366	8.3
429.26422	13.0
431.27774	2.7
441.26352	59.7
459.27133	59.0
460.27557	2.4
477.28506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.2
55.01871	16.3
55.05515	70.7
57.03444	17.2
65.03948	3.9
67.05509	61.9
69.03426	8.7
69.07076	15.6
70.55989	3.1
70.56350	8.2
71.05002	4.4
79.05497	68.3
81.03427	13.5
81.07066	53.1
83.04989	10.9
83.08630	28.7
85.06580	11.3
91.05484	38.9
93.07053	33.1
94.98902	2.6
95.04974	26.4
95.08607	21.9
97.06532	11.8
97.10174	47.8
103.05450	5.3
105.07039	29.7
107.04964	41.5
107.05640	3.6
107.08608	34.0
109.06538	18.5
109.10159	15.9
111.04480	3.9
111.08067	3.3
112.99982	2.3
113.06040	12.1
115.05437	4.6
117.07036	20.1
119.08585	21.1
121.06509	28.5
121.10174	7.6
123.04471	2.8
123.08084	13.5
123.11762	2.7
125.09644	43.8
128.06233	4.4
129.07050	15.6
131.04953	5.9
131.08574	16.1
133.06468	12.4
133.10155	7.5
135.08061	17.8
135.11729	5.1
137.09631	8.2
141.07016	4.5
142.07704	2.1
143.08542	12.1
145.06523	21.6
145.10133	14.4
147.04456	6.8
147.08073	10.2
147.11685	8.8
149.09645	6.9
151.07520	5.4
153.09103	9.1
153.12756	5.8
155.08568	7.0
157.06491	4.9
157.10153	8.2
159.08058	7.1
159.11711	5.0
161.05971	4.1
161.09636	7.3
163.11186	4.5
165.09129	40.4
167.08519	2.7
169.10118	6.4
171.08051	5.0
171.10249	5.1
171.11662	5.7
173.09680	5.5
175.11241	7.1
177.12694	4.3
185.09625	4.4
187.11172	5.7
187.14917	5.2
189.09492	4.3
189.11249	23.3
189.12840	5.4
193.10733	2.9
193.12238	16.3
195.11711	5.3
197.09729	3.0
197.13277	3.4
199.11221	6.4
205.12335	4.5
211.11259	3.0
211.13208	4.4
213.12758	3.9
215.14357	6.6
217.12250	5.3
223.13287	4.8
227.12714	4.9
233.15372	17.5
235.13321	3.7
237.12730	6.4
238.57581	2.4
241.14290	5.9
245.15533	4.1
253.15950	3.5
255.13766	7.4
255.16768	2.1
271.17154	2.9
273.14865	21.0
273.17889	3.4
283.16702	3.1
289.18314	2.6
291.16025	7.2
291.19562	9.3
299.16513	3.1
339.23364	9.5
349.21561	20.9
357.24265	9.4
365.23315	5.5
367.22733	54.8
371.02332	2.7
385.18753	5.3
385.23752	100.0
386.24203	5.2
403.24744	23.5
441.26297	6.5
449.26996	2.5
459.27393	57.2
477.28491	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2851
Annotation	Lucidenic acid G
Peak:m/z	Relative Intensity
53.03945	9.9
55.01872	9.1
55.05509	26.5
55.98056	2.9
57.03431	12.2
57.07077	4.4
61.02919	4.2
61.68271	2.7
64.71397	2.4
65.03941	3.5
67.05508	51.2
69.03421	11.3
69.07076	23.7
71.04994	4.3
71.24340	6.9
73.02911	4.3
73.62443	2.8
79.05499	47.8
81.03419	21.4
81.07058	51.8
83.04995	10.3
83.08627	11.5
85.02905	4.5
85.06526	5.0
86.65656	3.8
86.66171	2.7
91.05478	49.9
93.07050	41.9
95.04990	13.8
95.08614	29.3
97.02891	10.7
97.06542	8.6
97.10189	7.7
99.04438	3.7
103.05501	3.1
105.07048	35.1
107.04958	16.8
107.08601	26.0
109.06525	4.9
109.10162	13.4
111.04456	5.3
111.08057	3.1
113.00018	6.7
115.05484	8.5
117.07026	33.4
119.08594	25.9
121.06542	9.3
121.10180	13.4
122.06840	3.5
123.04461	3.5
123.08078	3.0
123.11650	3.4
125.09645	4.0
128.06250	13.3
129.07025	31.3
131.04933	4.3
131.08591	37.8
133.06525	3.9
133.10146	15.5
135.08083	6.9
135.11705	15.2
141.07024	17.2
142.07813	11.2
143.08586	33.2
145.06497	11.9
145.10132	27.1
147.08110	6.8
147.11731	10.2
149.09633	7.5
153.07053	4.6
154.07721	6.6
155.08577	28.5
156.09360	4.4
157.06538	10.7
157.10126	25.5
158.07227	3.2
159.08047	13.1
159.11728	15.8
161.09648	5.3
161.13304	3.6
163.11232	13.5
165.07066	7.9
166.07826	4.5
167.08597	13.8
168.09311	6.9
169.06506	6.0
169.10149	29.5
171.08096	11.0
171.11671	22.0
173.09639	6.6
173.13292	7.4
175.11221	6.5
179.08600	6.7
181.06570	3.5
181.10150	18.6
181.12326	2.8
182.10956	6.0
183.08099	6.7
183.11700	16.6
185.09660	9.7
185.13211	15.4
187.11168	4.9
188.11356	2.8
189.12801	3.1
191.10623	3.4
193.10182	7.2
193.12299	3.4
194.10834	4.0
195.08177	6.4
195.11768	10.3
196.08809	4.2
197.09630	7.2
197.13309	16.1
199.11150	7.8
199.14819	3.9
201.09105	3.1
201.12822	6.4
205.10272	3.7
207.11775	5.7
207.13896	2.7
209.09676	5.2
209.13382	7.8
211.11230	7.4
211.14944	3.7
213.12738	7.8
215.14307	4.3
219.11740	4.6
221.13403	2.9
223.11247	7.4
223.14842	4.4
225.12807	6.5
227.12691	17.4
229.12221	4.2
237.12737	5.2
239.14659	3.7
241.12201	4.7
255.14056	3.8
283.20239	3.9
285.22086	3.8
291.19449	4.4
295.20584	7.1
297.22144	5.4
307.20657	5.9
313.21503	3.4
321.22244	7.0
325.21649	10.3
331.20599	5.5
336.26212	3.7
337.22009	6.2
339.23212	11.3
349.21521	19.1
357.24316	5.9
361.23840	3.9
365.23486	3.5
367.22693	40.4
373.23904	6.8
385.23764	28.7
387.25296	6.9
399.25400	6.4
403.24918	9.2
413.27026	3.9
417.26297	15.2
423.25604	8.4
429.26443	18.6
441.26382	51.2
459.27432	53.6
477.28528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	11.6
55.05516	53.0
57.03426	8.9
59.04996	7.4
62.06073	11.0
65.03930	7.0
67.05508	84.2
69.03413	13.8
69.07070	49.8
69.23070	41.4
71.04984	9.2
79.05503	73.9
81.03422	25.1
81.06602	5.3
81.07066	100.0
82.07365	4.9
83.04969	18.0
83.08630	29.6
85.06545	6.0
91.05485	64.6
93.07043	63.1
94.07366	5.8
95.04974	25.5
95.08613	37.5
95.75554	4.3
97.02866	19.6
97.06510	9.8
97.09660	4.4
97.10191	31.3
104.82017	4.2
105.07039	46.8
107.04931	26.3
107.08612	50.8
109.06504	13.0
109.10157	24.8
111.04429	6.2
111.08069	9.4
113.00032	54.1
115.05434	10.8
117.07027	21.6
119.08590	31.6
121.06504	23.7
121.10129	19.2
123.08053	11.2
123.11734	9.1
125.09671	28.0
129.07062	24.5
131.08539	29.8
133.06476	10.6
133.10103	24.0
135.04466	5.1
135.08025	10.6
135.11682	12.5
137.09621	8.0
143.08554	16.2
145.06505	14.1
145.10081	21.4
147.08047	12.3
147.11693	19.8
149.09613	11.1
149.13252	6.2
151.11212	8.0
155.08591	9.2
157.10057	11.4
159.11699	9.3
163.11145	8.7
165.09125	6.0
167.07082	4.5
167.08553	4.7
169.02533	5.3
169.10101	6.8
171.11700	7.2
173.09602	4.8
175.11142	13.5
175.14862	5.1
177.12775	6.1
189.11165	14.4
191.10533	5.9
193.12195	5.3
209.11664	6.3
223.13200	26.8
227.12796	12.8
231.13940	5.6
233.15340	12.5
262.22610	6.9
267.15863	8.2
273.14984	6.2
273.18460	17.9
291.16550	7.8
291.19565	95.3
316.28403	6.7
336.26346	24.7
339.23300	5.7
349.21646	6.9
357.24167	9.4
365.23260	61.7
367.22736	24.7
385.23535	44.4
403.24841	21.0
441.20337	6.4
441.26477	12.7
459.21637	6.2
459.27353	34.4
477.28439	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1033
Annotation	5,7,2'-Trihydroxy-4',5'-methylenedioxyisoflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
55.01899	0.5
55.05519	1.5
57.03453	0.7
59.05018	0.4
67.05513	1.7
68.99800	3.1
69.03426	1.6
69.07078	0.8
70.06598	0.6
71.05002	0.5
72.08192	0.7
74.06084	0.6
76.23739	0.3
79.05508	1.1
81.03435	0.6
81.07056	2.3
83.04999	0.6
83.08620	0.5
84.08156	0.4
85.02934	1.2
85.06561	0.7
86.09696	0.4
87.08114	0.6
91.05485	1.6
93.07068	1.8
95.04998	0.9
95.08604	1.7
96.47479	0.3
97.02908	1.1
97.06551	0.6
97.10165	0.6
99.08099	0.5
105.07049	1.2
107.04993	0.6
107.08605	1.6
109.02905	0.8
109.06541	0.6
109.10187	1.3
111.00819	3.5
111.08093	0.5
117.07005	0.4
119.04955	0.4
119.08567	0.9
120.08159	0.5
121.06511	2.7
122.06883	1.1
123.08060	0.9
123.11778	0.4
125.02378	0.7
125.09712	0.5
127.03957	0.6
131.04950	0.8
131.08578	0.5
133.10126	0.9
135.04462	0.4
135.08009	0.8
137.05988	0.7
137.09650	0.5
138.34151	0.3
139.03874	0.9
141.07036	0.4
143.08781	0.3
145.06447	0.4
145.10159	0.7
147.04420	4.9
147.08089	0.4
147.11702	0.6
149.02396	0.4
149.06009	1.0
149.09607	0.5
149.13321	0.4
151.03912	0.9
151.07571	3.1
153.01866	3.2
154.02226	0.4
157.10165	0.5
159.04417	1.0
161.02342	0.5
161.09610	0.3
162.03053	0.3
162.05605	0.3
163.03809	0.4
163.07576	0.4
163.11250	0.4
165.05600	0.4
165.09108	2.9
165.10101	0.3
171.11707	0.4
173.09624	0.3
173.13347	0.5
175.03918	10.5
177.05482	1.7
183.04456	0.5
185.06001	0.7
189.01857	0.4
189.05460	1.0
189.09119	0.3
191.10709	1.1
191.14270	0.5
199.03967	0.4
201.05513	0.4
203.03410	42.5
204.03694	0.6
205.12335	0.3
213.05460	1.0
217.04910	0.6
231.06470	1.0
241.05063	0.8
245.04445	1.1
251.03496	0.4
259.06052	2.9
269.04410	0.8
271.05975	1.1
287.05472	2.7
300.06216	1.9
315.05026	100.0
315.08499	6.9
316.05292	2.8
383.18793	0.3
385.23682	0.4
398.88217	0.3
426.32419	0.4
427.32300	0.4
448.30109	0.4
448.37552	0.4
458.35236	0.4
459.28009	0.4
477.10104	19.1
478.10596	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.4
69.03429	0.4
70.06586	0.4
71.00150	0.7
72.08152	0.5
73.02924	0.3
73.98278	0.2
74.06081	0.3
79.01848	0.5
84.04511	0.3
84.08126	0.5
85.02892	0.4
86.09710	0.4
91.05475	2.5
95.04970	0.4
97.02869	0.4
107.01260	0.3
109.02868	0.3
111.04429	0.4
116.07073	0.3
117.05759	1.0
118.06548	8.1
119.04978	0.4
121.06534	0.3
122.91021	0.2
125.02340	0.5
126.01747	0.2
127.03942	0.7
130.50070	0.3
133.07645	1.1
139.03928	1.0
143.03410	0.7
145.07617	100.0
146.07982	1.1
147.04442	0.7
151.03926	6.3
151.05045	0.6
153.01845	9.1
153.02946	0.6
154.02168	0.4
161.05998	0.5
162.06519	0.3
163.03833	0.3
163.08678	12.1
189.82547	0.2
191.03329	0.3
195.02884	0.3
207.03018	0.4
208.09621	0.3
219.02917	0.4
237.03932	0.7
261.04129	0.4
263.07257	0.3
307.08209	0.7
309.05966	1.2
328.19205	0.3
339.08069	0.3
383.13336	0.4
429.20624	0.5
477.15106	25.3
478.15454	0.8
490.45813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43155	1.5
55.05515	9.0
60.91453	1.7
62.06099	18.8
65.80518	1.5
67.05511	26.3
69.07083	8.8
79.05501	17.4
79.36365	1.6
81.07059	20.4
83.08631	3.1
85.05322	1.5
85.57693	1.6
91.05479	6.7
93.07044	14.6
95.08607	19.1
98.06071	15.0
98.21162	9.4
98.98488	7.8
105.07042	6.7
107.08609	6.4
109.10163	4.9
119.08584	3.2
121.10162	5.0
131.08578	2.1
133.10143	2.4
133.47502	1.8
135.11687	3.8
147.11682	1.7
150.16354	1.9
172.90582	1.8
222.18642	2.1
261.22192	2.0
304.26364	100.0
335.25821	38.2
362.31528	1.7
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	2.7
55.05515	7.2
56.69084	0.8
57.03445	7.0
57.07078	1.1
59.22218	0.7
61.00922	0.7
65.03934	1.4
67.05510	31.9
69.06785	0.8
69.07076	7.1
71.06480	1.6
77.80209	0.7
79.05075	1.0
79.05499	15.0
81.07059	30.2
83.04976	0.8
83.08581	1.7
85.06553	1.2
91.05479	7.7
93.07049	15.1
95.04950	1.2
95.08618	19.8
97.06514	1.2
97.10150	1.1
98.06046	1.7
98.14429	0.7
98.21201	0.9
98.98446	0.9
103.23756	0.6
105.07054	4.5
107.08611	7.4
109.10157	7.6
111.08115	0.8
117.07024	1.2
119.08585	2.6
121.10165	7.2
123.11691	1.6
124.01563	0.9
125.09653	0.8
131.08600	2.0
133.10144	2.0
135.11708	3.7
137.13226	0.8
145.10194	1.4
147.11711	1.5
147.65134	0.7
149.13197	1.0
159.88193	0.7
173.13225	0.7
196.16841	0.8
196.57272	0.7
212.51927	0.7
261.22067	0.8
304.26331	10.8
335.25818	100.0
336.26202	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	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.3
55.53994	2.0
69.03445	11.7
71.04993	51.4
81.03401	9.9
81.07043	2.9
85.02905	30.0
87.00827	12.6
88.23083	2.3
93.07044	4.9
97.02888	8.8
98.20798	5.2
99.04475	5.3
103.75105	2.6
105.01873	12.2
105.07030	2.9
107.08586	5.7
109.02211	2.1
109.02844	10.8
116.83543	2.0
121.06505	4.0
121.10143	29.3
123.07957	2.6
123.11701	33.3
127.03914	15.3
133.10117	2.1
145.04915	6.6
151.11159	4.0
159.02899	4.4
165.12714	6.5
175.14821	5.9
193.15889	100.0
211.16936	34.7
231.05046	5.1
396.44247	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	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.05511	3.0
59.04993	1.6
64.97829	1.5
66.86708	1.5
67.05508	2.0
69.03432	3.7
69.07061	7.0
71.51078	1.6
71.51450	2.2
73.02929	2.1
79.05531	1.9
81.03426	4.6
81.07074	4.7
85.02906	9.8
86.78865	1.5
87.00830	2.4
91.05474	4.6
93.07051	4.6
95.08620	6.6
97.02896	6.8
105.01871	3.3
105.07011	8.6
107.08585	5.3
109.02906	2.6
109.10165	3.6
117.07017	2.7
119.08583	29.3
121.06505	20.2
121.10187	4.6
125.02342	2.8
127.03913	9.2
131.08699	1.7
133.10136	28.7
133.58015	1.7
135.11714	3.6
145.04976	2.5
145.10152	2.6
147.11691	4.9
153.01836	10.7
159.02873	2.7
173.13303	1.8
175.14833	100.0
176.15152	3.1
193.15964	3.5
231.05098	1.8
232.58672	1.4
241.22195	1.5
292.25085	1.5
309.16861	1.5
335.90674	1.5
339.03427	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	476.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01868	2.8
55.05508	6.9
57.03420	1.6
57.07070	1.9
65.03960	3.2
67.05508	11.8
69.03426	8.7
69.07079	9.0
69.72656	7.7
70.04075	4.2
70.06586	2.1
71.04990	1.5
73.02932	1.6
78.03441	6.8
79.05492	11.8
80.05003	2.8
81.03417	12.6
81.07055	13.7
83.04967	2.0
83.08633	2.4
85.02913	7.2
89.24938	1.3
91.05481	19.1
93.07050	13.3
95.04955	5.3
95.08599	11.6
96.04488	7.9
97.02888	7.4
97.06522	1.7
97.10139	1.6
99.04489	2.8
103.05484	2.8
105.07028	19.2
106.02914	27.1
107.04964	3.3
107.08594	24.8
109.02879	5.2
109.06516	3.9
109.10148	12.2
110.10383	1.3
111.08121	1.9
113.02397	1.6
115.05442	2.7
116.50859	1.5
117.07010	6.2
119.04936	1.9
119.07737	1.0
119.08575	27.5
121.06512	33.8
121.10142	19.9
122.07326	11.3
123.08105	2.7
123.11670	3.2
124.03954	99.1
125.02348	3.4
125.09634	5.0
127.03944	4.5
128.07146	1.3
129.07008	2.3
131.08589	10.8
133.10136	100.0
134.10428	1.8
135.08054	18.9
135.11697	5.0
137.06096	1.5
137.09619	74.4
139.03923	9.0
140.04243	2.7
143.08600	7.3
145.10152	8.0
147.04404	4.2
147.11700	5.8
149.13290	13.4
151.07549	3.4
151.11105	2.5
153.01804	14.0
153.02856	2.0
158.10901	10.7
163.14749	1.4
165.09122	13.9
166.09476	7.6
167.07129	2.2
169.12334	1.5
173.13266	40.7
175.11119	1.4
175.14833	24.5
191.14323	14.6
205.12253	1.7
250.07056	12.5
268.08154	35.1
275.02219	1.7
286.09225	40.2
302.11136	1.3
306.25757	1.5
307.75015	1.4
321.02536	1.8
339.03394	5.5
366.80966	1.4
407.30154	1.4
424.15222	1.5
476.11874	2.1
476.22635	18.8
476.28925	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	476.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12729	1.1
55.01870	2.1
55.14574	0.9
56.05022	1.2
64.67358	1.2
67.01832	1.2
69.03418	3.6
70.06584	7.2
71.25692	1.4
71.26031	2.0
73.26624	1.3
74.06067	1.6
79.05493	5.7
84.08115	1.7
85.02895	3.5
86.09706	1.7
91.05493	5.7
93.07029	1.5
95.01286	1.1
95.04948	1.1
97.02878	2.9
103.03918	1.5
103.05480	9.5
105.07037	59.1
115.03902	1.6
115.05476	11.3
115.10766	1.0
116.07088	11.7
118.04144	3.7
120.08094	1.2
121.01086	1.3
121.06517	25.2
123.04447	1.3
125.02384	1.7
127.03863	1.6
131.04863	1.6
133.06499	54.9
139.03911	8.8
139.72079	1.1
141.01820	1.5
143.06049	5.0
145.07613	2.6
147.04420	4.0
149.00580	5.3
151.03947	5.1
153.01852	13.2
158.29648	1.1
161.05991	100.0
162.05333	1.4
162.11296	1.0
163.03793	1.4
163.06102	1.1
163.74043	1.1
164.07246	1.0
165.00107	1.4
167.01620	4.0
167.07024	1.8
167.84969	1.1
182.04959	8.9
192.99544	3.0
193.08615	77.6
194.00374	3.1
209.02655	12.0
225.02162	1.9
240.23589	1.2
314.06857	2.5
339.03555	2.5
340.85938	1.0
382.12659	1.9
401.41531	1.2
432.16464	1.4
469.37939	1.2
476.15720	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	475.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50640	1.7
53.03938	5.2
55.01860	2.3
55.05518	13.0
57.03192	1.9
57.03448	21.5
57.07082	50.3
61.02933	60.8
61.03399	2.4
67.05193	1.6
67.05515	20.3
69.03442	23.1
69.07076	12.7
69.29797	15.3
69.74436	1.7
70.57293	1.5
71.01344	4.4
71.04954	2.5
71.08638	37.5
73.02925	28.7
75.04491	2.1
79.05492	8.8
81.03429	20.0
81.07060	29.9
82.53416	1.5
83.04968	3.5
83.08620	16.0
85.02913	53.1
85.06577	2.6
85.10189	18.8
87.04479	2.4
91.03419	3.1
91.03964	35.5
91.05487	4.6
93.07044	9.3
94.08315	1.8
95.04976	3.3
95.08620	33.8
97.02898	47.8
97.10182	7.9
98.21143	8.4
99.04459	11.9
101.02393	9.5
103.03944	6.1
103.07568	1.6
105.07040	4.8
107.08599	3.4
109.02903	10.7
109.10175	17.0
111.11705	3.4
115.03943	4.1
117.05462	3.5
117.07038	2.5
119.08559	3.4
120.29727	1.5
123.11718	6.6
124.28461	1.7
127.03938	23.3
129.05527	3.9
131.08542	4.0
133.10077	1.8
135.11731	1.6
137.13272	3.9
143.08546	2.1
145.05006	8.3
147.11700	2.6
151.14746	1.9
159.06526	2.2
171.11768	1.7
183.06511	4.7
201.07608	4.1
221.22562	2.3
239.23740	27.3
257.24707	5.0
313.27396	100.0
314.27963	1.9
341.27066	3.5
355.28183	3.7
368.22556	1.6
457.31100	3.4
475.32574	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.3
53.03943	12.0
53.76452	1.0
55.01868	4.5
55.05509	26.0
57.03446	7.4
57.07068	2.1
58.49807	1.1
65.03929	5.0
67.05505	95.1
69.03427	2.3
69.07068	27.5
69.21444	7.8
69.21864	3.0
71.01354	1.0
71.04984	4.1
76.81779	1.1
77.03917	2.4
79.05490	95.6
81.03426	5.8
81.07053	100.0
83.04978	14.8
83.08618	14.8
85.06544	4.3
91.05480	67.1
92.05764	1.4
93.07041	91.1
95.04971	20.8
95.08605	35.1
97.06543	12.5
97.10168	4.1
99.08077	3.3
105.04501	4.2
105.07029	44.5
107.04945	4.2
107.08594	33.0
109.06526	4.5
109.10143	5.7
111.08070	6.1
113.09632	1.7
117.07034	15.6
119.08590	19.3
121.06516	3.7
121.10156	18.4
123.08056	4.7
123.11709	1.7
125.09644	2.1
127.07562	1.1
128.06248	3.5
129.07005	13.3
131.08577	11.9
133.06558	1.2
133.10124	15.3
135.08031	2.4
135.11707	9.0
137.09561	1.4
139.07478	1.3
139.11209	1.5
143.08559	9.4
145.10139	8.0
147.08078	2.6
147.11685	31.3
149.13266	25.5
156.09401	1.5
157.10083	1.4
159.11691	11.3
161.09683	3.3
161.13251	9.4
163.11224	1.6
167.14401	1.5
169.10078	1.7
171.11681	21.4
177.12781	4.8
189.12711	10.0
192.68712	1.1
195.13789	8.2
202.49184	1.0
207.13808	29.6
213.14771	1.5
225.14888	5.1
269.17557	1.8
281.17535	1.4
383.25919	1.9
457.29810	1.7
475.30560	70.3
476.30597	2.7
483.79965	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.9
51.60950	1.2
53.03944	11.3
53.89080	1.5
55.01872	7.4
55.05515	29.1
57.03429	6.7
57.07075	2.8
65.03939	5.8
67.05509	95.0
69.03444	2.7
69.07070	29.0
70.09766	7.4
71.04987	5.5
73.06543	1.8
79.05499	90.7
81.03426	8.7
81.07060	100.0
82.07359	1.7
83.04984	15.8
83.08619	17.2
85.06538	5.7
91.05485	68.2
92.05902	1.4
93.07046	98.0
95.04980	21.2
95.08613	38.2
95.09179	3.3
97.06538	12.1
97.10181	6.0
99.08100	2.7
101.50866	1.5
105.04517	3.4
105.07045	43.8
107.04968	4.9
107.08602	39.8
109.06520	8.8
109.10152	7.4
111.08082	6.0
112.72263	1.9
115.05472	1.6
117.07036	16.1
119.08590	22.3
121.06503	5.7
121.10156	18.1
123.08079	6.3
123.11723	3.2
125.09632	3.1
127.07537	2.0
128.06255	3.7
129.06993	18.1
131.08591	13.1
133.10164	12.2
135.08107	3.7
135.11685	7.0
139.11292	1.9
143.08551	9.5
145.10104	10.3
147.08075	3.1
147.11694	29.2
149.09717	1.8
149.12187	2.8
149.13275	26.6
155.08597	2.5
159.11720	14.8
161.09619	3.8
161.13268	12.2
163.11180	3.1
171.11697	23.9
177.12769	6.2
183.11668	1.6
189.12758	10.8
195.13812	11.8
195.67648	1.5
207.13818	31.6
213.14830	1.8
225.12816	1.5
225.14928	4.0
269.17789	1.7
383.25864	2.8
401.26913	2.1
457.29391	6.0
475.30594	68.6
476.30841	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31889	1.4
53.03946	11.5
53.49945	1.1
55.01863	4.7
55.05272	1.7
55.05514	24.4
57.03422	5.1
57.07062	2.6
60.17820	1.1
65.03941	5.6
67.05505	89.1
69.06732	1.6
69.07073	23.9
69.70703	3.6
69.71114	3.5
71.04991	5.4
73.02917	1.3
77.03905	3.3
79.05494	86.3
81.03415	6.8
81.07058	100.0
82.07391	1.4
83.04981	15.0
83.08620	15.2
83.65943	1.1
85.06544	4.6
91.05484	66.7
93.07045	89.7
95.04977	20.1
95.08609	36.5
97.06541	10.6
97.10156	4.7
99.08084	3.8
103.05457	1.3
105.04513	4.9
105.07033	37.6
107.04964	4.1
107.08595	35.3
109.06522	7.7
109.10175	6.4
111.08107	6.5
111.08746	1.4
115.05468	1.7
117.07021	13.1
119.08591	19.1
121.06500	3.7
121.10137	17.5
123.08092	5.3
123.11686	2.2
128.06248	1.5
129.07014	13.4
131.08580	11.0
133.10126	13.3
135.08018	3.6
135.11693	8.4
141.07037	1.2
143.08574	7.3
145.10123	8.8
147.08034	1.9
147.11693	29.9
149.13266	26.5
159.11671	13.2
161.09639	3.1
161.13264	10.1
167.14345	1.4
169.10185	1.2
171.11696	21.1
177.12758	6.0
181.10118	1.4
189.12746	9.0
195.13797	11.9
207.13812	30.0
213.14810	1.8
225.14809	5.3
246.77304	1.1
269.17407	1.7
281.17532	2.4
409.30777	1.4
457.29767	2.3
472.86121	1.1
475.30521	67.8
476.31317	1.3
477.74481	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.6
53.03953	10.0
55.01862	4.5
55.05268	2.1
55.05516	26.9
57.03436	7.2
60.55825	1.3
65.03941	7.2
67.05510	88.9
67.26883	1.2
69.03417	2.3
69.07073	26.5
69.15173	10.8
69.15583	3.2
70.60075	1.3
71.04986	5.1
73.06544	1.6
77.03941	2.8
79.05499	95.9
80.47296	1.2
81.03421	9.0
81.07064	100.0
83.04988	14.6
83.08621	16.9
85.06529	4.6
91.04905	2.2
91.05488	62.6
93.07050	91.0
95.04974	18.5
95.08616	37.7
97.06539	10.8
97.10174	3.0
99.08083	3.1
103.05415	1.9
105.04509	6.2
105.07041	40.6
107.04949	5.6
107.08602	34.1
109.06520	7.4
109.10195	6.1
111.08089	7.2
115.05494	2.0
117.07024	13.5
119.08591	21.4
121.06516	6.8
121.10157	14.9
123.08084	5.5
123.32591	1.2
127.07528	1.7
128.06212	3.6
129.07010	15.7
131.08589	15.4
133.06436	1.5
133.10121	15.1
135.08014	2.0
135.11684	8.7
141.07109	1.5
141.09262	1.2
143.08562	7.9
145.10138	10.6
147.08066	3.3
147.11696	28.2
149.13274	26.6
155.08569	2.1
157.10121	2.5
159.08194	1.5
159.11693	13.7
161.09602	3.6
161.13237	9.6
171.11681	20.1
177.12799	7.7
189.12717	7.4
195.13843	8.8
207.13823	24.2
225.14894	4.2
226.46675	1.2
269.17447	1.9
281.17480	2.5
311.65756	1.3
325.02356	1.3
365.24881	3.2
383.25821	5.3
401.27002	4.2
423.05960	1.3
441.26282	1.5
447.60565	1.2
457.29544	5.2
475.30618	67.1
476.30725	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.0
55.01881	4.0
55.05505	8.6
57.03431	5.9
57.07074	3.2
63.75516	1.9
63.91715	2.0
67.05505	17.4
69.03127	2.5
69.03442	25.4
69.07064	9.0
70.06596	4.8
70.56799	6.4
71.05000	21.6
71.98656	2.2
72.08157	7.7
73.02914	2.4
79.01862	3.7
79.05498	26.3
81.03428	15.7
81.07075	18.5
83.04978	11.9
83.08611	5.6
84.08156	4.7
85.02913	26.0
85.06545	6.7
86.09722	4.1
87.00832	9.2
87.01922	1.9
91.05466	19.1
93.06480	3.7
93.07052	57.0
95.02332	1.9
95.04948	15.6
95.08612	19.6
96.19368	1.9
97.02905	9.5
97.06551	4.1
97.10164	5.1
99.03844	4.4
99.04457	59.9
100.93833	2.3
102.09180	2.7
103.05484	3.5
105.01883	6.0
105.07037	11.3
107.04983	3.8
107.08604	38.3
109.02889	9.7
109.06516	6.9
109.10138	20.1
111.04478	4.5
111.08108	6.3
115.07530	2.2
117.01788	2.6
117.07027	2.6
119.08590	8.0
121.06512	30.8
121.10154	39.0
121.11016	2.1
123.08110	11.2
123.11708	11.3
125.02380	4.8
125.09606	13.9
127.03943	14.3
130.12300	3.4
131.08574	9.5
133.10139	16.5
135.08072	7.4
135.11667	3.1
137.09634	5.0
139.03917	8.7
139.11211	3.2
143.03444	6.8
143.08574	3.0
143.10565	2.2
145.10152	4.3
147.07993	2.4
147.11696	5.0
149.09665	12.2
149.13278	8.7
151.03932	3.9
151.07544	3.6
151.11163	8.3
153.01840	89.9
153.02843	4.5
153.09050	3.0
159.02940	3.1
161.09624	3.7
163.07565	4.5
163.14824	6.2
164.11208	2.0
165.09137	3.7
165.12741	3.0
167.10706	3.0
169.12239	10.1
171.03020	2.2
173.13261	11.0
179.03325	3.9
179.10756	2.7
181.04953	2.6
183.13837	14.3
191.14310	23.9
195.05560	2.7
205.05054	3.2
209.15387	27.6
210.85921	2.1
227.16429	100.0
242.17526	5.0
250.07700	2.0
283.09790	4.8
285.08801	3.2
295.06985	2.9
299.13828	3.7
300.14816	2.9
301.10715	19.3
305.13892	12.7
309.06030	21.7
313.08051	2.5
314.23483	2.9
342.10837	5.8
370.10254	2.2
399.31888	3.4
439.34882	3.6
440.33652	7.0
457.13599	2.9
457.36237	14.1
458.34653	5.4
475.16373	11.2
475.31821	23.1
475.37631	11.7
493.48306	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.8
57.07074	14.2
62.43307	1.4
67.05495	2.9
81.07050	2.2
82.19448	1.3
91.05510	2.3
94.86584	1.4
98.21541	3.0
98.45201	1.2
105.07008	1.4
119.08521	1.3
121.02886	1.8
131.08615	1.5
149.02350	100.0
161.06015	1.7
165.09152	1.7
175.07573	5.2
193.95665	1.4
203.07126	5.6
205.08661	5.3
211.92714	1.7
221.08009	1.6
231.72928	1.6
277.14337	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	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61455	1.9
54.05577	1.5
55.05494	3.8
57.07079	19.5
60.57943	1.5
67.05489	4.1
69.03450	2.0
70.05495	7.0
81.03381	1.9
81.07049	3.6
85.02901	2.8
91.05478	2.8
93.07029	2.8
95.04972	1.7
95.08615	3.4
97.02907	2.2
107.08611	2.0
109.10108	2.1
121.02789	2.0
121.06487	4.6
132.78163	1.8
139.03911	2.4
149.02353	100.0
149.41733	1.6
150.02701	2.2
165.09120	4.6
166.09537	1.8
187.04614	1.8
205.08615	9.6
221.08092	2.4
277.14417	12.3
279.23358	1.8
317.31540	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72877	1.0
53.03934	3.4
55.01876	1.6
55.05299	1.0
55.05514	9.7
57.03442	6.6
57.07073	1.1
62.06058	1.3
64.24438	0.9
65.03944	1.4
67.05505	20.0
69.07072	8.7
71.51977	1.6
72.08138	1.0
79.05494	25.5
81.03417	3.5
81.07059	18.7
83.04988	2.2
83.08634	2.7
85.06525	1.4
91.05481	23.0
93.07047	27.7
95.04958	4.3
95.08611	15.8
95.85982	0.9
97.06519	1.1
97.10183	1.0
98.06056	2.2
98.98488	1.9
99.08063	1.1
105.07036	24.1
107.04898	1.1
107.08586	11.5
109.06525	1.5
109.10153	5.2
117.07043	5.8
119.08587	15.7
121.06503	2.6
121.10164	8.3
123.11722	2.0
123.29865	0.9
128.06152	1.1
129.05360	1.1
129.07005	2.7
131.08554	6.6
133.10139	10.4
135.08072	1.2
135.11684	5.1
143.08580	2.7
145.10130	4.5
147.11678	7.4
149.09566	1.0
149.13257	2.1
157.10141	2.2
159.11691	3.3
161.09596	1.0
161.13281	4.1
163.11139	1.4
171.11665	2.6
173.13240	1.9
175.07591	5.4
175.14819	1.9
176.07907	1.3
185.13350	1.8
201.35123	0.9
216.06345	1.3
217.19618	1.2
241.19551	3.3
259.20581	3.7
302.24814	18.4
305.93576	1.0
315.22980	1.5
333.24234	100.0
334.24625	2.9
364.41647	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89001	0.5
54.44329	0.6
57.03428	1.4
61.02913	1.1
65.35014	0.6
69.03419	1.9
69.07056	1.6
70.04079	100.0
71.05974	0.8
71.28229	0.7
81.03467	0.9
81.07064	0.6
85.02904	5.8
97.02910	1.6
97.06538	4.0
109.02879	0.7
115.07571	8.8
126.47636	0.7
127.03909	1.8
145.05011	2.5
170.15511	0.6
244.01799	0.7
294.45642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03436	1.8
61.02941	0.8
67.05540	0.4
69.03437	0.9
69.07070	1.1
69.66661	2.3
70.04086	100.0
77.71532	0.4
81.03423	0.8
85.02914	5.5
87.08169	0.6
91.03973	0.4
97.02921	1.4
97.06549	4.2
98.20763	0.8
107.08591	0.4
109.02922	0.5
109.06542	0.4
115.07584	7.2
116.07175	0.6
118.68993	0.5
127.03954	1.4
135.08113	0.4
141.57355	0.5
145.05009	2.6
163.06068	0.7
184.10858	0.8
212.17258	0.4
232.09315	0.5
428.69980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1734
Annotation	Raloxifene
Peak:m/z	Relative Intensity
50.39857	0.4
56.90356	0.4
69.86386	1.0
69.86800	1.1
81.11634	0.3
83.06108	0.9
95.06096	0.7
96.97931	0.4
104.05024	0.8
105.03431	0.6
105.05795	0.9
106.06552	0.4
111.05585	2.9
120.04472	3.9
123.05550	0.8
125.05869	0.9
126.06660	1.7
132.04462	25.4
133.05289	0.4
134.06015	5.2
137.04718	1.5
139.03978	0.5
140.08089	0.4
144.44246	0.4
151.06163	10.7
152.04550	0.5
177.04050	0.7
194.06767	4.5
195.07582	1.0
202.09790	1.7
206.06909	0.5
216.11285	0.8
230.09142	1.8
232.10799	0.5
242.09268	4.8
257.10306	5.5
258.08652	1.1
259.11899	10.4
284.11423	8.6
293.80597	0.4
302.12497	13.7
302.16010	0.7
327.11972	4.4
345.13077	100.0
346.13367	2.1
397.88910	0.5
456.16605	0.7
474.17416	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	474.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56581	0.6
53.03941	1.4
55.05505	1.7
57.03444	0.9
57.07061	1.3
59.04746	0.8
59.05003	8.8
61.02910	1.1
65.03938	1.4
67.05512	4.8
69.03437	2.7
69.07073	3.5
70.06590	1.8
71.50553	0.5
72.08144	0.9
73.02893	0.9
79.05491	5.7
81.03413	1.6
81.07069	5.1
83.04992	1.3
83.08595	0.8
84.08151	0.8
85.02914	3.0
86.09706	1.3
87.00829	1.4
87.04451	0.6
89.06029	5.9
91.05484	15.4
93.07051	6.9
95.04980	0.9
95.08612	4.9
97.02883	2.9
99.04443	1.2
100.07551	0.8
103.05472	0.9
105.01866	0.8
105.07037	16.6
107.04913	0.6
107.08596	12.7
109.02903	1.0
109.06522	1.4
109.10155	4.1
115.05437	1.6
116.06246	1.6
117.07017	6.8
117.09152	2.0
118.06485	0.7
119.08586	21.2
121.06480	2.0
121.10150	15.8
123.08078	2.9
123.11697	0.9
127.03941	2.5
128.06210	1.9
129.07024	5.0
130.07773	2.6
131.08582	22.0
132.09369	0.8
133.08621	4.0
133.10144	9.3
135.08046	4.7
135.11694	2.6
137.05994	1.0
137.09569	1.2
138.09189	0.6
142.07820	0.9
143.08572	11.9
144.09369	5.7
145.04984	0.8
145.10127	18.2
147.04433	0.6
147.11700	10.0
149.09619	2.0
149.13283	8.9
151.11099	0.6
153.01845	2.9
154.02180	0.9
157.10117	1.0
158.10901	12.7
159.11604	0.6
161.09705	0.8
167.07021	0.7
171.11580	0.7
173.13275	21.3
175.13333	1.1
175.14813	10.7
177.11154	1.2
189.12753	0.6
191.14317	100.0
192.14647	2.5
200.53891	0.6
200.63055	0.6
201.05487	0.7
203.10765	0.6
209.15363	0.9
283.17584	2.4
367.11725	0.6
457.96152	0.6
475.16068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01869	4.0
55.05515	53.7
55.05791	2.6
57.03443	32.3
57.07080	40.2
65.03928	2.0
65.83871	1.9
67.05512	64.1
69.07072	72.8
69.81808	9.9
71.04993	5.0
71.08635	29.6
73.06567	2.5
75.04478	10.6
79.05499	25.4
81.03384	1.8
81.07059	79.3
83.04980	6.1
83.08151	3.8
83.08625	57.7
85.06554	6.2
85.10195	14.6
91.05477	8.8
93.07056	34.3
95.04935	2.7
95.08614	88.8
97.06531	16.8
97.10172	39.4
97.10783	3.0
98.20796	3.5
99.08090	2.6
99.11750	2.8
101.06031	2.9
105.07065	6.5
107.04942	1.9
107.08595	29.8
109.06542	1.7
109.10163	44.3
111.08099	10.9
111.11726	13.0
113.06022	4.3
115.07588	4.1
117.07032	2.1
119.08600	3.7
121.10146	36.5
123.11729	14.5
125.09650	11.3
125.13261	2.7
129.09134	4.2
131.07031	7.2
131.08614	2.8
133.10150	3.3
135.11691	25.9
137.13263	7.5
139.11180	8.8
143.10686	4.0
145.10100	3.0
147.11720	2.4
149.13271	15.1
151.14861	3.0
153.12737	10.7
157.12178	2.3
159.11708	2.5
161.13171	1.9
163.14827	9.5
165.16351	2.0
167.14374	7.4
175.14874	3.0
177.16428	6.1
181.15939	4.1
185.15387	2.1
189.16396	2.2
191.17935	4.3
195.17459	5.3
201.21037	1.8
205.19511	3.1
209.19083	2.8
228.32687	1.9
261.25781	14.2
271.24506	1.6
279.26794	22.5
282.32025	2.0
283.71054	2.0
289.25305	10.4
301.60898	1.8
307.26352	26.2
325.27359	5.8
343.28452	100.0
344.28760	4.1
381.30075	43.8
399.31097	56.5
399.36362	2.9
455.33636	19.6
473.28394	2.5
473.34750	37.5
486.74124	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.05502	0.6
55.35675	0.4
55.47715	0.4
61.11135	0.4
65.03928	1.0
67.05489	0.7
69.03426	0.8
70.06593	1.2
71.50616	0.6
72.08162	32.9
79.05492	2.0
81.01865	0.4
81.03411	1.2
81.07059	1.9
84.08153	0.6
85.02902	0.9
86.09700	1.3
89.10799	15.7
91.05480	3.1
93.03414	0.5
93.07033	1.0
94.04184	4.2
95.04940	0.5
98.06078	0.5
103.05478	0.4
105.07061	0.5
107.04958	2.0
107.08629	0.4
109.06520	8.7
115.05464	0.6
117.07036	0.9
119.04931	0.9
120.12511	0.4
121.06484	1.1
121.10206	0.5
122.03660	9.3
127.03918	0.5
131.04912	0.6
135.54286	0.4
136.07585	1.7
137.05984	100.0
138.06282	1.1
139.03960	2.2
140.06993	0.5
145.06497	1.5
147.04413	1.8
149.06012	0.5
151.03970	0.8
152.01106	0.4
153.01845	2.0
153.05513	0.6
162.05446	0.7
163.03899	0.7
163.11201	0.4
167.07071	2.7
173.06015	1.0
175.07616	0.8
177.05571	0.5
181.05000	0.6
191.06961	0.7
200.04659	1.7
205.12074	0.4
210.10204	0.4
217.08551	0.7
219.08218	0.6
228.04253	1.3
231.06459	2.2
233.08061	0.7
246.05197	0.6
247.07576	0.8
261.07611	2.6
264.07928	0.4
277.08496	0.7
292.07397	0.6
293.08148	0.6
306.09006	0.5
307.09586	0.7
309.06882	0.4
311.13803	1.4
311.16995	1.4
319.16391	0.6
325.10971	0.5
347.03888	0.5
367.11835	0.9
385.12860	26.3
386.13251	0.8
456.20175	3.4
473.23132	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	473.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
53.13801	1.2
55.05520	2.3
58.06570	1.3
59.04995	1.8
67.05498	1.9
68.22785	1.5
69.03419	3.5
69.07074	1.8
70.06589	5.8
70.13904	6.3
72.08160	16.1
79.05486	5.4
81.03415	4.9
81.07052	4.5
84.04529	1.5
84.08141	4.3
85.02907	6.2
86.09713	10.4
91.05470	4.0
93.07045	2.7
95.04961	3.8
95.08608	1.6
96.73691	1.1
97.02901	2.0
97.06542	1.3
98.06026	2.3
99.04444	2.3
102.09169	1.8
105.07022	3.8
105.98853	1.4
107.04962	4.8
107.08604	2.8
109.02919	2.0
109.06524	1.5
109.10137	1.5
115.08719	1.8
117.06969	1.5
121.06509	2.9
123.04443	3.2
123.08042	3.1
124.05209	1.9
127.03950	3.9
130.12282	4.6
131.04955	3.1
131.08582	2.0
133.06522	1.4
139.03902	1.8
140.04698	3.0
145.05020	1.7
145.06488	2.9
147.11664	1.8
149.09546	1.5
151.03874	2.0
151.07547	6.6
151.11201	1.3
153.01817	4.4
153.05495	2.2
155.07051	3.7
158.03624	3.1
161.09683	1.7
162.07658	1.6
163.11195	2.5
167.07053	40.7
173.05991	5.1
181.05031	2.0
186.03081	1.7
189.07069	1.8
189.12741	1.9
191.07010	3.4
191.08595	1.7
192.07829	2.1
201.05466	70.7
202.07721	1.5
205.06474	1.7
207.08134	1.8
207.13837	5.2
211.31963	1.3
213.05486	29.9
218.07309	3.4
219.08118	2.5
220.05267	1.8
221.06009	4.0
225.14899	6.4
231.06485	15.4
233.05995	1.9
234.06715	1.9
235.07582	5.7
236.08339	3.0
246.06926	2.9
247.07559	6.5
248.08376	2.2
249.05460	8.8
250.06178	2.2
257.06042	3.5
260.04761	2.6
261.14575	2.2
263.07053	5.8
264.07852	5.7
265.08575	2.7
274.06339	6.2
275.07074	9.3
276.07693	2.4
277.04987	7.5
278.06006	1.4
288.04172	3.5
289.04935	2.3
289.08444	1.9
291.06586	2.8
292.07300	9.0
295.09714	2.4
302.05643	3.1
303.06555	18.2
304.07224	2.5
305.04413	9.4
307.06580	1.3
307.09653	7.1
309.07492	1.8
317.08005	2.3
320.06802	21.9
321.07761	2.7
323.09171	2.5
335.09134	49.4
337.10590	2.1
339.12271	2.2
352.09512	3.1
355.11816	16.4
367.11768	100.0
385.12918	16.1
402.29837	1.8
419.32565	2.4
437.33893	3.1
438.32184	5.3
443.21713	2.8
455.34857	9.5
456.20096	2.9
456.33380	1.5
473.22501	8.9
473.36105	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	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19511	1.7
53.03955	1.6
55.05505	2.1
57.03433	3.5
59.04972	2.1
67.05515	12.8
69.03436	36.5
69.07072	5.0
70.05449	7.6
70.06571	2.7
71.04996	1.9
72.08154	4.2
79.05512	9.0
81.03423	6.9
81.07077	8.1
83.04969	4.2
85.02936	8.4
86.09715	3.2
87.00823	2.9
91.05479	6.5
93.07055	7.3
95.04980	10.3
95.08602	7.1
97.02889	7.7
97.06526	5.4
97.07191	1.6
98.06029	2.3
99.04474	2.3
103.05441	2.6
105.01875	3.4
105.07046	13.6
107.04932	2.8
107.08597	4.3
109.02907	3.7
109.06530	6.2
109.10132	3.8
111.08067	5.4
115.08702	3.9
119.08623	9.1
121.06496	4.3
121.10174	8.7
123.04437	18.7
123.08071	6.9
127.03921	5.5
133.06503	5.8
133.10126	19.8
135.11690	3.0
135.88506	1.9
137.05965	7.6
137.09618	12.5
139.03882	10.6
139.11203	12.5
145.04970	2.6
145.10167	2.4
147.08052	3.0
147.11710	9.7
149.09622	2.3
151.07547	6.1
153.01860	11.1
153.05482	5.4
153.09178	1.9
154.02144	2.8
156.09369	2.1
159.11719	2.4
161.13257	6.9
163.11198	5.8
165.12677	2.0
167.03387	3.5
167.06998	2.0
171.11676	4.8
174.10443	4.3
177.07811	3.3
177.12686	2.4
181.42194	1.8
189.12738	15.9
201.05574	2.6
207.06734	1.9
207.13817	100.0
225.14874	23.5
226.44711	1.8
239.21703	2.1
302.17654	2.0
321.04916	1.9
329.62363	1.8
367.11771	4.5
429.22400	2.7
451.23843	6.0
467.55118	1.8
473.23459	2.7
473.36136	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	473.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
53.13801	1.2
55.05520	2.3
58.06570	1.3
59.04995	1.8
67.05498	1.9
68.22785	1.5
69.03419	3.5
69.07074	1.8
70.06589	5.8
70.13904	6.3
72.08160	16.1
79.05486	5.4
81.03415	4.9
81.07052	4.5
84.04529	1.5
84.08141	4.3
85.02907	6.2
86.09713	10.4
91.05470	4.0
93.07045	2.7
95.04961	3.8
95.08608	1.6
96.73691	1.1
97.02901	2.0
97.06542	1.3
98.06026	2.3
99.04444	2.3
102.09169	1.8
105.07022	3.8
105.98853	1.4
107.04962	4.8
107.08604	2.8
109.02919	2.0
109.06524	1.5
109.10137	1.5
115.08719	1.8
117.06969	1.5
121.06509	2.9
123.04443	3.2
123.08042	3.1
124.05209	1.9
127.03950	3.9
130.12282	4.6
131.04955	3.1
131.08582	2.0
133.06522	1.4
139.03902	1.8
140.04698	3.0
145.05020	1.7
145.06488	2.9
147.11664	1.8
149.09546	1.5
151.03874	2.0
151.07547	6.6
151.11201	1.3
153.01817	4.4
153.05495	2.2
155.07051	3.7
158.03624	3.1
161.09683	1.7
162.07658	1.6
163.11195	2.5
167.07053	40.7
173.05991	5.1
181.05031	2.0
186.03081	1.7
189.07069	1.8
189.12741	1.9
191.07010	3.4
191.08595	1.7
192.07829	2.1
201.05466	70.7
202.07721	1.5
205.06474	1.7
207.08134	1.8
207.13837	5.2
211.31963	1.3
213.05486	29.9
218.07309	3.4
219.08118	2.5
220.05267	1.8
221.06009	4.0
225.14899	6.4
231.06485	15.4
233.05995	1.9
234.06715	1.9
235.07582	5.7
236.08339	3.0
246.06926	2.9
247.07559	6.5
248.08376	2.2
249.05460	8.8
250.06178	2.2
257.06042	3.5
260.04761	2.6
261.14575	2.2
263.07053	5.8
264.07852	5.7
265.08575	2.7
274.06339	6.2
275.07074	9.3
276.07693	2.4
277.04987	7.5
278.06006	1.4
288.04172	3.5
289.04935	2.3
289.08444	1.9
291.06586	2.8
292.07300	9.0
295.09714	2.4
302.05643	3.1
303.06555	18.2
304.07224	2.5
305.04413	9.4
307.06580	1.3
307.09653	7.1
309.07492	1.8
317.08005	2.3
320.06802	21.9
321.07761	2.7
323.09171	2.5
335.09134	49.4
337.10590	2.1
339.12271	2.2
352.09512	3.1
355.11816	16.4
367.11768	100.0
385.12918	16.1
402.29837	1.8
419.32565	2.4
437.33893	3.1
438.32184	5.3
443.21713	2.8
455.34857	9.5
456.20096	2.9
456.33380	1.5
473.22501	8.9
473.36105	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	472.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32388	1.3
56.95154	1.2
63.24236	1.5
69.33654	7.2
69.34065	3.4
70.06582	2.7
81.52528	1.3
82.06556	2.2
84.07642	3.3
84.08144	63.8
90.86820	1.6
98.20665	2.1
111.84278	1.4
116.07037	1.8
130.08646	100.0
131.09003	1.5
137.05946	2.0
146.08145	2.1
154.08682	1.8
218.87729	1.5
277.07538	1.7
278.07959	3.9
295.08841	2.0
296.08945	4.4
325.56982	1.6
341.40219	1.9
472.11911	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	472.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31836	1.7
55.01892	2.0
57.15411	1.6
57.34779	2.0
59.83012	1.7
60.88552	1.8
62.16083	1.8
65.03910	2.2
67.05508	2.3
68.99802	2.2
69.03423	2.7
70.06598	11.0
71.04942	1.8
71.49889	2.9
72.08143	2.4
77.61771	1.8
79.01853	5.3
81.03435	2.1
82.06556	1.8
83.04989	2.1
84.04489	7.4
84.08125	2.9
85.02888	2.6
86.09713	3.3
91.05493	2.6
97.02928	2.5
101.07142	2.1
111.04427	4.2
122.06033	3.7
123.04459	5.7
125.02357	2.6
129.06972	2.2
136.07608	2.6
139.03912	74.1
140.07080	4.4
143.03427	6.3
151.03885	9.5
153.01848	65.2
153.02956	3.8
154.02116	2.2
156.08205	2.1
158.08127	4.6
158.09268	4.0
162.05492	2.1
163.03963	4.2
172.07593	5.8
179.03421	3.4
184.07556	6.5
185.05905	2.5
188.07027	2.2
193.06519	2.8
196.07622	3.0
198.05553	2.1
200.07106	17.1
202.08626	2.8
206.11702	2.5
211.07581	2.5
212.07047	19.6
213.05487	2.3
214.05070	4.1
215.05746	2.2
216.06584	6.3
217.07362	3.3
221.06033	11.6
224.07054	12.6
226.05237	2.6
228.06558	16.7
229.07263	17.9
230.08150	100.0
238.08789	2.1
239.07143	13.9
240.06602	25.9
241.05014	2.9
242.08200	3.5
244.09570	1.9
245.06737	3.1
246.07570	3.3
249.05490	7.0
250.08871	2.4
252.06534	5.6
256.06049	24.5
257.07077	2.2
258.04901	3.4
258.07639	68.4
260.06821	7.1
266.08139	4.0
267.06537	16.8
270.07642	10.0
274.07056	2.8
280.09525	3.2
282.07648	2.2
284.05588	5.8
284.08981	3.1
285.07559	10.1
291.08978	2.0
292.06104	2.4
292.09708	8.5
294.07715	5.2
303.08698	4.3
310.07001	3.4
316.05914	2.9
320.11420	18.9
332.09262	4.1
334.09406	13.3
335.08026	4.9
336.08667	6.2
350.10129	4.3
360.08679	9.2
376.08197	4.5
378.09732	40.0
386.06689	2.1
396.10822	44.8
404.07712	13.2
410.12338	2.7
422.08676	10.7
440.09836	28.6
454.11307	6.9
458.76166	1.9
472.12393	86.7
472.17532	3.2
473.12714	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	471.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.4
51.02382	1.0
55.01878	0.5
63.03185	0.2
67.31374	0.2
68.99791	0.8
69.03438	0.4
69.74451	0.3
69.74864	0.8
70.06597	0.3
72.08170	0.2
76.72838	0.2
79.01859	7.7
81.03446	0.2
81.07046	0.2
83.84415	0.2
84.08171	0.2
86.09722	0.3
87.00854	0.3
91.05482	0.3
91.07768	0.2
97.02901	1.5
105.07021	0.2
107.01318	1.6
109.02871	0.6
111.00835	1.2
119.04927	0.2
121.06493	0.3
123.00775	0.2
125.02354	3.8
127.03912	0.2
137.02351	1.0
139.03931	0.3
143.03407	6.7
145.10129	0.2
147.04463	0.4
147.52356	0.2
153.01842	100.0
153.02907	7.1
154.02144	0.8
165.01852	1.5
177.05461	0.2
179.03421	0.6
183.02924	0.6
189.05499	0.4
195.02916	0.4
199.04025	0.3
203.03442	0.5
205.12312	0.2
207.03056	0.2
207.06511	0.2
217.04999	2.1
221.04501	0.2
227.03358	0.2
235.02217	0.2
235.06024	0.3
237.54488	0.2
245.04483	2.4
263.05380	0.4
273.03986	2.8
283.02441	0.2
290.04248	0.5
301.03326	0.9
319.04504	42.5
320.04858	0.8
401.42474	0.2
471.05603	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58024	0.9
60.76517	0.8
66.39320	0.8
69.03450	1.5
70.06596	1.1
71.49652	1.1
78.81504	0.8
81.03417	3.5
82.99881	1.2
84.08148	3.4
99.04420	1.0
100.00123	1.5
101.00890	14.9
104.94817	0.9
109.02885	3.9
113.00867	1.4
115.02446	1.4
116.07150	0.9
119.01939	20.9
121.06522	1.9
127.02443	1.2
130.08632	2.9
131.01924	3.5
133.03490	4.4
137.02965	2.0
139.02443	2.6
141.00317	1.3
143.01917	10.8
145.03481	5.8
153.01822	1.8
157.03488	21.6
159.01410	4.1
159.05063	2.0
160.02203	1.1
161.02979	18.9
167.01929	1.9
169.03496	2.7
171.05061	1.9
173.02950	1.1
175.04550	12.4
183.05090	3.3
185.02969	11.8
187.04561	3.4
189.06065	1.1
199.04515	5.5
201.06094	4.0
202.99707	0.9
203.04060	6.7
209.02901	1.0
217.05588	3.2
227.04085	2.1
245.05125	4.2
259.06750	6.5
277.07718	84.1
278.07907	3.3
295.08780	100.0
296.08987	4.2
318.10342	3.2
348.13486	1.0
411.13461	1.4
429.14682	1.8
471.15326	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.6
51.02379	0.9
52.68713	0.2
53.00306	0.3
55.01868	0.3
55.05515	0.2
58.35778	0.2
68.99800	0.6
69.03435	0.4
70.42059	0.4
70.42393	0.3
72.08165	0.3
79.01855	7.8
91.05510	0.2
97.02892	1.4
107.01314	1.9
109.02892	0.5
111.00803	0.9
119.08596	0.2
121.06544	0.5
123.00816	0.3
125.02353	3.4
137.02351	0.8
143.03404	7.7
147.04401	0.4
153.01839	100.0
153.02907	6.9
154.02197	0.7
165.01865	1.4
179.03383	0.4
181.04893	0.3
183.02917	0.4
189.05524	0.3
195.02950	0.3
217.04996	1.6
245.04463	2.3
255.02992	0.3
263.05505	0.3
273.03955	2.2
290.04312	0.4
301.03580	0.4
319.04498	35.4
320.04868	0.4
471.05609	6.0
471.34985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77875	0.9
55.05508	2.4
64.62705	0.9
65.03928	1.8
67.05497	3.1
69.03415	1.3
69.07067	7.3
69.32799	1.0
70.06570	1.5
71.51474	1.5
79.05503	3.0
80.05027	1.0
81.03440	1.1
81.05802	1.0
81.07061	2.1
83.04975	1.5
85.02894	1.9
91.05479	2.0
94.06570	9.6
95.04937	2.3
96.08112	3.5
97.06552	1.9
104.04991	1.4
105.05783	1.7
107.08588	1.6
112.07571	2.0
118.06506	1.5
120.04447	1.6
120.08056	1.3
121.06496	3.4
122.06030	30.1
123.04455	1.1
124.07599	23.5
128.07068	1.1
135.04384	1.3
137.06026	1.3
138.05463	3.1
138.06419	1.0
139.03902	2.0
140.07076	49.2
142.08698	2.3
144.04504	2.0
146.06017	51.2
152.07060	1.3
153.01816	4.9
160.09753	1.1
162.05482	1.2
163.29181	1.0
167.03404	1.6
171.39798	1.0
172.03928	8.2
173.04736	18.7
173.06071	1.9
174.05524	44.8
181.04977	19.2
190.05000	1.8
191.05785	9.5
192.06534	2.5
204.06590	11.0
206.08138	7.2
212.09448	2.7
224.10808	1.3
226.08629	1.8
226.10796	1.1
227.08241	1.5
227.11679	1.6
229.13373	1.3
239.11816	2.9
240.08885	7.0
241.09685	2.8
241.13371	6.1
253.13319	1.8
255.11322	26.2
256.12198	2.3
257.12866	5.6
267.11084	1.4
269.12860	22.3
280.11920	1.4
285.12335	6.9
297.12347	71.4
298.13040	3.5
302.72919	1.1
313.11838	23.6
315.13425	1.1
326.72919	0.9
329.11472	1.4
329.14978	5.4
331.12930	3.3
396.19229	18.0
410.20834	1.4
420.19299	2.1
438.20282	100.0
439.20560	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	470.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.05490	0.9
61.16497	0.6
65.03953	3.2
65.49789	0.5
67.05489	2.4
69.03429	0.9
69.07075	6.5
70.06580	0.5
70.66899	1.7
79.05484	1.5
80.05019	0.9
81.05778	1.8
81.07056	1.8
82.04193	1.0
85.02888	2.3
91.05472	0.6
92.02598	0.7
93.03381	1.5
93.07032	1.0
94.06575	7.4
95.04951	2.3
96.08128	6.6
97.02899	0.8
97.06512	1.4
100.11238	0.8
104.04951	0.9
106.06559	0.9
107.08551	0.6
110.03672	1.5
110.06023	0.8
111.04485	0.7
112.07594	2.1
118.06529	1.4
121.06510	7.4
122.06029	26.0
123.04420	1.3
124.07600	24.9
125.06020	0.8
136.07564	0.9
138.03146	0.8
139.03845	0.8
140.07069	50.6
142.02614	2.0
144.04460	1.4
146.06012	21.7
148.07594	0.8
153.01849	4.5
153.05420	1.9
154.02176	0.8
154.08672	1.1
162.05510	1.0
165.02168	0.7
171.06564	2.4
172.03937	10.8
173.04726	9.4
174.05511	38.1
178.08531	0.9
181.04961	100.0
182.05348	1.5
190.04877	0.8
191.05795	3.7
192.06598	2.4
204.06555	13.8
205.07091	0.7
206.08133	10.5
210.14906	1.2
226.14505	0.9
240.08916	1.5
241.09741	0.7
252.08932	1.0
253.13310	0.8
255.11237	2.1
256.06140	0.7
267.11493	0.9
269.12897	4.0
285.12396	6.5
293.58157	0.7
297.12366	10.3
298.13040	1.3
299.13937	0.7
303.37152	0.7
313.11823	35.4
314.12109	0.8
319.04581	4.5
329.14975	3.4
331.12918	2.6
333.06052	6.7
337.21109	0.8
345.14413	1.5
396.19247	1.9
438.20270	59.3
439.20810	1.3
452.31265	1.0
456.21298	1.2
470.14841	1.0
470.22800	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	470.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06212	1.7
51.24239	1.5
55.01871	11.8
56.07572	1.5
56.96556	3.9
57.03238	1.4
57.03441	15.3
57.07058	1.7
69.03442	3.2
70.02952	1.8
70.06583	5.1
71.01347	3.0
71.50089	3.0
72.04522	16.2
72.08131	2.2
73.02924	15.6
83.04956	2.9
84.08141	2.4
85.02915	14.4
85.06537	5.5
86.06078	2.6
86.09692	2.8
90.05552	3.5
95.01308	3.5
95.04979	5.0
97.02885	2.4
98.02390	8.3
98.06049	4.2
98.97599	2.7
99.00804	2.6
100.03974	4.1
103.03961	3.0
112.07598	2.4
113.02374	4.6
113.06029	3.1
115.08714	2.6
116.03462	12.9
117.05502	56.9
121.06512	14.9
124.07604	10.5
129.05489	100.0
131.03410	3.7
136.07588	12.5
137.05983	3.8
138.05490	7.6
138.09128	2.8
139.03899	10.4
140.04213	1.6
141.01843	11.2
142.08609	8.2
143.03462	1.7
146.08192	9.6
147.04399	1.7
148.09596	1.8
151.03886	3.1
153.01848	22.3
154.02176	3.2
156.06546	15.1
156.07661	2.5
159.02855	1.9
160.09721	2.6
164.09196	16.1
166.08626	2.8
171.06430	2.1
174.11261	3.9
179.03368	1.7
184.09734	10.4
202.10756	28.6
226.22186	1.9
237.00688	1.7
254.05508	3.5
276.14447	50.7
281.05008	1.9
294.15491	47.2
305.08652	14.7
321.05579	4.7
434.15576	2.2
452.17090	8.7
467.97308	1.9
470.17688	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	470.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01846	0.3
55.05504	0.4
65.03661	0.2
65.03947	2.5
67.05508	1.4
68.05042	0.2
69.03431	1.1
69.06775	0.2
69.07071	1.9
70.06580	0.3
71.04974	0.2
71.51266	0.4
74.06087	0.5
77.03944	0.3
79.05484	1.0
80.04996	0.2
81.03383	0.2
81.07050	0.9
82.04225	0.9
82.06540	0.2
83.04981	0.3
84.08110	0.3
85.02915	1.8
91.05484	0.8
93.03408	0.9
93.07043	0.6
94.06579	2.4
95.04964	0.6
95.08613	0.2
96.04491	0.2
96.08134	1.6
97.02891	0.4
97.06547	0.9
98.09676	0.4
99.08153	0.3
100.11240	0.5
101.05994	0.2
103.05453	0.4
104.04977	0.5
105.04566	0.2
105.05743	0.3
105.07022	0.2
106.06530	0.3
108.02081	0.3
108.08141	0.2
110.03682	1.2
110.05997	0.3
111.04444	0.7
112.07608	0.7
116.10744	0.2
118.06552	0.2
121.06519	6.1
122.06031	8.3
123.04418	0.6
124.07593	9.0
125.06002	0.8
125.22936	0.2
127.00185	0.2
128.07069	0.2
130.06499	0.3
138.03122	0.7
138.15883	0.2
139.03883	0.3
140.07072	18.7
142.02629	1.8
144.04472	0.8
145.05212	0.3
146.04857	0.4
146.06015	7.5
153.01852	1.7
153.05466	1.6
156.02812	0.2
162.05513	0.4
163.06311	0.2
164.07091	0.2
166.02708	0.2
171.06543	2.2
172.03944	3.3
173.04730	2.7
174.05521	12.6
181.04964	100.0
182.05261	1.1
182.15395	0.4
190.05008	0.4
191.05730	1.8
192.06537	0.5
198.14870	0.5
204.06577	5.5
206.08138	3.6
210.14880	0.5
224.10768	0.3
226.14445	0.5
229.97107	0.2
240.08896	0.4
241.09608	0.2
254.11841	0.3
255.11322	0.4
257.12732	0.2
267.11349	0.3
269.12811	1.7
285.12341	2.3
297.12323	3.6
298.13281	0.2
299.13928	0.3
313.11838	12.0
315.13370	0.3
319.04556	1.2
325.03406	0.9
325.25012	0.2
329.14941	0.9
331.12823	1.0
333.06046	7.2
334.06277	0.3
337.21381	0.4
345.14499	0.9
355.22391	0.3
383.37247	0.2
396.19257	0.5
420.19498	0.3
438.20291	22.5
439.20731	0.4
452.31223	0.3
456.21225	0.7
470.14444	0.6
470.22702	1.5
470.32300	0.5
471.08920	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.3
55.32595	1.2
57.03424	2.1
57.07076	100.0
58.04213	2.6
59.05001	32.0
67.05501	3.8
69.07047	3.4
71.08630	90.9
72.05758	4.0
73.02924	2.6
81.07051	1.5
83.08609	5.7
85.10181	77.0
87.04462	5.9
89.06006	8.9
90.01925	18.1
95.08611	2.2
97.10139	2.9
98.07256	1.4
98.20811	4.1
99.11723	7.9
103.07581	2.6
103.45081	1.3
107.73103	1.4
110.64774	1.4
117.09113	5.8
133.08577	3.4
141.16383	4.8
144.71788	1.4
154.61180	1.6
155.17937	2.2
178.07037	2.0
198.19856	2.0
199.20602	10.0
222.09695	2.4
240.10825	3.4
257.24725	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	469.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	13.4
53.90200	4.1
55.01877	14.4
55.05521	23.9
57.03429	9.3
57.07074	12.5
59.05006	9.2
61.02912	5.0
67.05516	42.2
68.99789	14.4
69.03442	54.7
69.07069	32.1
70.71113	13.7
71.05003	30.7
72.08144	4.7
73.02934	7.5
79.05503	35.2
81.03430	41.8
81.07060	100.0
83.04988	11.4
83.08621	15.2
85.02910	59.8
87.00835	27.7
87.04480	6.0
91.05487	37.6
93.07050	64.3
95.04999	26.6
95.08608	94.9
97.02899	31.9
97.06523	13.2
97.10159	18.7
99.04459	13.2
99.08081	6.7
101.67887	4.5
103.03928	9.7
105.01894	8.8
105.07047	66.6
107.04944	7.5
107.08595	68.8
109.02891	19.1
109.06548	13.2
109.10167	64.3
111.04475	13.1
115.03935	17.7
115.93311	5.4
117.07021	13.4
119.08596	75.0
121.06510	22.4
121.10131	57.0
123.04393	11.9
123.08064	17.8
123.11723	39.5
125.09657	7.2
126.05544	7.7
127.03922	22.8
127.11198	21.1
129.01855	11.5
129.05508	7.6
129.07022	12.5
131.08574	25.5
133.06523	6.3
133.10149	49.7
135.08047	9.3
135.11696	35.0
137.05988	14.5
137.09633	11.7
137.13263	14.5
139.03835	7.9
141.07074	5.2
142.07771	11.4
143.08585	17.7
145.10139	46.0
147.02956	6.6
147.08032	11.0
147.11693	39.3
149.09642	7.8
149.13280	20.2
151.11226	8.9
152.63426	5.0
153.01852	36.6
153.12750	9.1
154.02193	10.2
155.02316	7.8
155.08548	8.4
157.10136	29.7
159.02934	7.6
159.11697	55.8
161.09673	10.4
161.13278	22.7
163.07542	5.2
163.11189	9.8
163.14809	5.0
165.06996	5.0
165.12903	7.9
167.08591	9.1
169.10129	10.3
171.11681	23.2
173.09711	8.3
173.13275	16.2
175.07536	4.5
175.11255	14.0
175.14851	15.1
175.45061	5.4
177.12781	9.9
179.10635	5.1
181.10139	7.4
183.11745	14.0
185.09634	11.8
185.13338	6.3
187.14844	12.5
189.04022	7.6
189.12761	7.5
189.16397	14.0
191.14267	10.0
191.18048	6.1
193.19571	6.2
195.11742	14.8
197.13268	9.8
201.03932	8.8
201.12767	8.5
201.16394	19.3
203.17990	27.5
207.11807	7.6
209.13353	7.5
215.17867	5.2
219.17488	19.6
221.19035	16.0
225.12781	13.4
227.14339	5.0
227.18097	7.4
231.05035	5.3
231.17514	8.7
233.19020	8.6
243.13824	6.2
243.17583	6.4
245.18982	18.1
257.18890	8.4
263.20108	8.2
269.19095	7.0
293.19067	9.8
311.20026	26.5
329.21109	24.6
347.22299	5.7
415.21524	6.5
433.22174	11.2
451.23080	24.7
469.24200	28.1
481.70236	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	469.1346
Annotation	Catechin-4-ol 3-O-beta-D-glycopyranoside
Peak:m/z	Relative Intensity
53.00301	0.7
53.03945	0.7
55.01866	1.2
55.04447	0.2
57.03432	0.7
57.20621	0.3
61.02914	1.1
63.32458	0.3
65.03933	0.8
67.05495	0.4
68.99776	1.3
69.03432	3.2
71.04995	0.4
71.23532	0.5
72.08157	0.4
73.02896	0.5
79.05492	0.5
81.03436	1.7
83.01388	0.3
83.04977	0.6
85.02908	10.0
89.03313	0.3
91.03967	0.4
93.03424	0.6
95.04967	0.8
97.02899	3.3
99.04446	0.7
107.04955	1.3
109.02879	1.2
111.00823	0.5
111.04443	1.2
121.02865	1.1
123.04426	2.9
127.03921	2.4
131.04895	0.4
133.02846	4.0
135.04408	2.1
138.05550	0.5
139.03905	100.0
140.04253	0.8
143.03389	0.5
145.02863	0.6
145.04958	1.1
147.18907	0.3
149.06041	0.7
151.03911	9.1
153.01825	7.1
153.02979	0.6
153.05470	1.3
154.02170	1.1
155.02380	0.7
156.06628	0.6
159.04425	0.8
163.03906	8.2
169.04973	7.8
177.05492	1.3
179.03426	0.3
179.06982	0.5
181.04958	5.7
195.06416	0.5
201.05293	0.3
205.04951	2.9
229.05104	0.7
247.06058	0.8
289.07089	5.0
307.08057	2.3
331.10464	1.4
337.96591	0.3
460.76898	0.3
469.18982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.7
55.01878	13.7
55.05505	23.9
57.03435	12.3
59.04991	11.9
61.02937	12.3
62.54329	3.8
67.05509	32.4
68.99778	8.2
69.03435	52.0
69.07069	24.5
69.22740	3.6
69.52354	3.5
70.06593	4.8
71.05005	22.1
71.51975	4.8
73.02923	6.3
77.03922	4.3
79.01846	4.8
79.05507	27.5
81.03422	45.0
81.07058	73.1
83.04978	13.1
83.08588	5.2
84.04495	4.4
85.02909	52.7
85.06534	8.7
87.00852	18.8
91.05487	36.1
91.20725	3.6
93.07048	60.2
95.04969	30.4
95.08609	67.4
97.02888	35.9
97.06532	4.9
97.10175	12.7
99.04461	9.2
99.08081	8.2
103.03974	4.6
103.05441	4.7
105.01879	8.6
105.07041	52.5
107.04937	7.0
107.08604	54.8
109.02882	18.4
109.06548	10.8
109.10148	46.3
111.04442	7.6
111.08083	7.1
115.03926	9.8
117.07026	13.9
119.04899	4.9
119.08583	53.2
121.06493	25.2
121.10143	46.0
123.04465	21.9
123.08074	12.2
123.11735	27.0
125.06015	6.0
125.09637	17.0
127.03928	20.1
127.11230	19.1
128.06255	5.1
129.01842	4.9
129.06999	12.9
131.08583	28.5
133.10167	38.2
135.08017	9.0
135.11703	35.9
137.05959	12.0
137.09592	8.2
137.13254	9.4
139.03922	100.0
139.07535	6.7
139.11174	4.8
142.07762	4.8
143.03397	5.5
143.08566	17.8
144.09319	4.6
145.05032	9.4
145.06389	4.8
145.10127	39.4
147.02940	5.9
147.04343	5.8
147.08072	5.9
147.11691	32.3
149.06108	4.6
149.09644	9.1
149.13263	10.2
151.03923	12.8
151.11131	6.8
153.01845	78.4
153.02951	7.6
154.02174	26.9
155.02269	20.2
155.08591	12.3
157.10146	18.8
159.08066	8.1
159.11707	41.2
161.09668	11.9
161.13287	15.7
163.03978	4.9
163.11197	10.7
165.09175	10.3
169.10121	8.7
171.11713	8.2
173.09674	6.8
173.13283	14.8
175.11226	6.8
175.14804	9.4
177.12840	4.9
181.04941	5.4
181.10121	6.0
183.11734	7.5
185.09647	7.3
185.13271	13.1
187.14854	13.2
189.03937	5.9
189.12787	4.9
189.16406	19.2
191.17859	4.2
195.11633	6.1
197.13322	10.3
201.12872	7.7
201.16437	15.7
203.17975	11.5
207.11835	5.2
213.16408	7.0
215.17984	5.1
219.17494	6.8
225.12851	7.5
227.17909	7.4
241.15994	5.9
243.17377	7.0
245.18979	6.3
276.41583	4.1
289.07034	7.8
293.19174	3.9
307.26349	5.5
311.20065	16.6
329.21066	11.0
356.37665	5.8
425.21692	12.1
433.22153	6.7
451.23352	17.5
452.66797	4.7
469.24655	27.9
469.30692	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	468.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15234	1.1
55.05510	1.9
57.03455	1.5
57.07080	96.4
59.04712	2.1
59.05006	38.0
64.67117	1.4
67.05489	1.3
69.07092	1.6
69.27816	7.2
69.28239	4.4
71.08638	100.0
71.20132	1.2
71.43593	1.3
72.08981	1.4
81.07072	1.5
82.79771	1.1
83.08617	3.6
85.10188	85.3
89.06036	47.1
97.10181	1.7
99.11739	12.7
103.07607	1.6
112.17380	1.4
115.99113	1.3
117.09145	6.3
133.08611	22.0
141.16359	10.4
147.10194	3.7
155.01132	2.1
177.11224	16.6
195.12291	15.1
199.20593	22.7
235.15398	3.1
253.16415	6.4
257.24722	9.8
283.17596	5.5
290.08743	1.8
293.19678	2.3
314.27933	3.2
363.68472	1.4
451.36368	4.0
479.87033	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1342
Annotation	Catechin-4-ol 3-O-beta-D-glycopyranoside
Peak:m/z	Relative Intensity
53.00306	0.7
55.01875	0.8
55.05506	1.1
55.33333	0.4
56.05019	0.6
56.96560	0.7
57.03442	0.7
60.49194	0.4
61.02908	0.4
69.03418	1.7
71.04992	0.5
71.08646	1.1
71.33577	0.4
71.50597	0.5
72.08150	1.4
74.06082	5.2
79.01879	0.5
79.05510	0.5
81.03412	1.6
85.02911	5.3
88.11284	4.0
91.05516	0.7
93.03437	0.7
95.04961	0.7
97.02895	2.1
98.06075	3.4
98.95637	0.5
98.97551	0.9
99.04465	0.5
107.05003	0.9
109.02850	1.3
111.04446	1.3
115.08682	2.0
116.07091	3.1
120.06554	1.0
121.02840	1.3
121.06450	0.9
123.04440	1.4
126.05598	0.8
127.03936	2.3
133.02859	1.2
134.06006	0.4
135.04414	1.6
136.07643	0.6
137.06041	0.5
138.05501	0.4
139.03912	100.0
140.04211	1.0
143.53789	0.5
144.06584	4.1
147.04398	0.5
149.05957	1.0
151.03928	5.8
153.01840	4.8
153.05411	0.9
154.02190	0.8
159.04422	0.7
160.07497	0.5
162.05537	1.9
162.07646	1.0
163.03926	7.7
169.05013	1.9
175.03918	0.9
177.05510	1.5
179.06880	0.6
181.05000	4.7
182.08104	0.7
195.06578	0.8
204.06566	2.7
205.04971	1.5
207.06549	1.0
221.09235	0.5
229.34337	0.6
247.06052	0.9
270.03882	0.5
270.09738	0.7
288.10803	1.9
289.07028	5.4
289.12128	0.7
295.16559	0.6
306.11789	1.4
307.08218	3.3
307.12939	0.5
451.16983	0.7
469.18109	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	468.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02811	0.3
53.03935	1.0
54.23027	0.3
55.01858	0.4
56.96563	0.6
65.03914	0.4
69.03435	0.5
70.06592	0.9
71.51051	0.5
79.01846	0.7
81.03426	0.7
84.08125	0.6
85.02890	0.9
91.05482	4.1
93.07050	6.6
95.04958	1.1
97.02875	0.6
98.20885	0.3
98.97596	0.7
103.05481	4.1
105.04515	0.6
107.04933	0.4
116.98636	0.4
119.04935	0.8
121.06510	100.0
122.06818	1.1
123.04449	0.5
127.03880	0.8
131.96092	0.5
137.05981	3.7
138.09148	24.2
139.03896	1.0
140.04344	0.3
143.03426	0.7
144.02084	0.4
146.08118	0.7
149.02373	0.3
153.00577	0.6
153.01833	11.3
153.02917	0.7
154.02162	1.6
154.08646	1.4
159.64603	0.4
161.02950	0.5
171.02924	0.6
189.05579	0.3
194.99724	0.4
201.05408	0.4
208.06519	0.4
211.04002	0.5
229.04910	1.0
263.33289	0.3
276.10153	0.5
293.10696	0.5
294.11179	0.6
300.05902	0.4
315.91357	0.4
321.55487	0.3
450.14914	0.6
468.14868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51793	1.1
53.03927	1.7
55.01881	2.2
56.05033	1.7
57.03442	14.8
59.04983	1.5
61.02926	7.7
62.61358	1.3
64.96838	1.2
69.03082	2.3
69.03432	31.8
69.64283	1.2
70.06549	1.3
70.16176	4.9
71.01363	2.6
73.02922	47.1
80.84439	1.3
81.03432	2.2
84.04508	51.4
85.02916	11.0
87.04492	1.4
96.04496	7.5
97.02294	2.6
97.02899	43.4
98.06055	4.7
99.04459	4.0
101.92921	1.2
109.02843	2.1
115.03932	30.7
115.61046	1.2
126.05521	73.4
127.03932	2.1
133.04958	10.0
138.05510	64.4
143.03423	2.8
144.06589	11.9
153.01808	1.5
157.04976	1.3
168.06569	19.8
186.07626	16.2
190.97234	1.4
204.08684	100.0
211.05989	15.0
228.95900	1.2
229.07095	2.4
250.71153	1.1
300.10736	1.8
336.12863	19.3
468.17252	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	468.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
57.03437	15.4
60.04536	1.3
61.02932	8.3
67.05502	1.3
69.03428	32.9
69.31699	9.5
71.01342	3.5
71.12323	1.2
73.02918	60.9
81.03410	3.3
83.04993	1.6
84.04507	57.6
85.02901	14.1
87.04437	1.9
89.46590	1.1
96.04499	7.6
97.02895	47.6
97.03525	2.4
98.06046	4.6
98.21485	1.8
99.04434	4.1
103.03938	1.8
109.02868	2.5
115.03934	33.8
123.89398	1.2
126.05518	83.5
127.03926	3.9
133.04996	9.9
138.05505	62.3
143.03354	2.0
144.06572	12.5
149.02383	1.2
153.01779	2.5
154.02110	1.9
165.05484	1.7
168.06563	22.6
175.38847	1.2
186.07626	18.5
204.08675	100.0
205.08958	1.6
211.06049	16.6
229.07076	3.4
247.08105	1.9
336.12875	16.9
348.43781	1.3
370.57724	1.1
377.84998	1.2
445.55338	1.2
468.17194	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	468.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.1
57.03439	15.8
61.02924	7.6
68.66822	1.2
69.03436	33.8
69.03818	1.7
69.31652	11.1
71.01351	2.7
73.02505	2.6
73.02919	54.3
81.03418	3.4
84.04506	59.3
85.02918	11.7
87.04443	2.0
96.04486	10.2
97.02895	50.9
98.06047	5.9
99.04451	4.6
103.03944	2.4
104.16499	1.1
109.02873	3.2
115.03936	33.0
126.05524	74.6
127.03912	2.2
133.05003	8.9
138.05508	62.5
143.03387	3.6
144.06580	12.4
145.34761	1.0
149.04475	1.5
153.01842	1.3
157.05037	2.1
168.06581	21.9
184.75345	1.1
186.07652	14.4
204.08684	100.0
211.06033	19.5
229.07068	3.9
245.53120	1.0
336.12842	20.2
443.34903	1.2
468.17001	10.3
480.85770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.05515	11.3
55.84505	0.7
57.03440	0.9
57.07080	36.6
58.49686	0.7
59.05006	4.2
60.82391	1.0
65.03931	2.4
67.05510	100.0
69.07071	11.9
71.04993	3.2
71.08636	24.6
73.62445	0.8
79.05487	3.4
81.07064	29.6
83.08632	17.2
85.06566	2.6
85.10189	12.5
89.06049	1.8
91.05490	6.8
93.07047	4.9
95.08612	27.3
97.10170	5.1
98.21523	3.0
99.11745	1.6
107.08586	2.6
109.10164	70.2
110.10533	1.5
111.04449	2.2
111.08080	3.1
111.11709	1.6
119.08588	6.0
121.10183	1.0
123.11719	6.1
125.13309	1.4
137.09607	3.7
137.13292	2.8
155.10640	5.8
165.05473	2.0
173.11749	23.2
183.06502	2.1
239.23692	8.3
283.17776	1.0
423.97015	0.9
431.35519	1.2
467.37396	84.0
468.37949	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	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.05511	12.9
57.03424	1.4
57.07079	35.6
59.04985	3.5
59.56106	0.8
65.03929	2.2
67.05508	100.0
67.46404	0.9
69.07082	10.3
69.92635	3.3
69.93047	1.4
71.04993	2.9
71.08634	23.1
76.99091	0.8
78.62080	1.0
79.05499	2.4
81.06593	1.8
81.07060	29.4
82.86851	0.8
83.08624	16.2
84.32156	1.0
85.06549	2.7
85.10189	12.9
89.06046	1.1
91.05487	5.7
93.07034	3.9
95.04981	1.7
95.08613	27.3
97.10182	6.2
99.04460	1.1
99.11716	1.0
99.34722	0.9
105.07017	1.3
107.08583	1.9
109.10162	74.8
111.08072	3.6
111.11723	1.8
119.08600	4.8
123.11681	4.9
125.13224	1.5
137.09644	2.8
137.13278	2.6
155.10672	5.4
173.11760	23.9
221.22635	1.2
239.23743	9.2
251.57310	0.8
438.95929	1.1
467.37329	74.9
468.37549	2.6
472.34332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	13.1
57.03448	1.8
57.07080	38.6
59.05017	6.8
59.05245	1.2
62.78278	1.1
65.03938	2.7
67.05508	100.0
69.07077	10.6
71.04984	3.2
71.08636	31.9
71.24826	1.6
72.08942	1.4
79.05493	4.2
81.07060	30.1
83.08619	15.8
85.06538	3.3
85.10183	17.2
86.10513	1.2
91.05490	7.7
93.07043	3.6
95.08609	27.1
97.10206	5.3
99.11717	2.5
107.08611	2.5
109.10162	81.3
110.10476	1.6
111.08105	2.9
111.11745	1.7
113.65660	1.2
119.08572	5.6
121.99016	1.0
123.11709	4.3
137.09598	4.3
137.13272	2.7
151.14906	1.1
155.10661	6.1
161.09048	1.0
173.11745	22.7
239.23650	8.6
251.22186	1.2
280.62665	1.2
467.37369	85.4
468.37433	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	467.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50784	0.8
53.03952	0.9
53.18454	0.7
55.05518	14.1
56.16348	0.7
57.03440	2.0
57.07080	36.4
58.99408	0.6
59.05013	3.7
60.92601	0.7
65.03945	2.4
67.05510	100.0
67.97497	0.8
68.05840	0.7
69.07071	9.5
71.04994	2.7
71.08640	23.6
71.52139	0.9
74.23203	0.6
79.05500	3.8
81.07065	28.4
83.08626	15.2
85.06551	2.9
85.10187	12.7
89.06036	1.0
91.05492	6.6
93.07054	2.8
95.08614	26.9
97.10173	5.0
99.11785	0.8
107.08602	1.6
109.10165	76.8
111.08099	2.8
111.11763	1.2
119.08595	3.6
123.11690	3.6
125.13301	1.6
137.09627	2.5
137.13295	1.9
151.14845	0.7
153.01862	1.5
155.10687	5.5
161.05336	0.7
173.11748	20.2
182.21785	0.8
193.06140	0.8
221.22699	1.6
228.20525	0.8
230.24564	0.6
239.23688	8.5
467.37363	71.3
468.37613	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00335	0.7
55.05512	12.2
55.76506	0.7
57.03442	1.4
57.07080	39.2
59.05015	4.8
65.03947	1.9
67.05509	100.0
69.07073	9.9
71.04996	3.2
71.08239	1.3
71.08634	26.2
71.51804	1.1
79.05510	2.6
81.07065	30.8
83.08622	17.6
84.92843	0.7
85.06554	2.8
85.10187	12.5
89.06020	1.6
91.05489	6.5
93.07061	3.2
95.05013	0.8
95.08614	27.9
97.10188	5.2
105.07049	1.0
107.08620	2.7
109.10162	77.3
111.08102	3.4
111.11749	1.4
119.08593	5.7
123.11752	3.8
125.13282	1.5
133.08635	1.4
133.10193	1.0
137.09619	3.7
137.13284	1.8
147.14183	0.8
151.14783	0.9
155.10709	4.7
173.11748	26.7
239.23689	9.0
467.37430	80.1
468.37610	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.6
57.03442	9.2
57.07080	42.2
59.05003	1.1
67.05508	26.2
69.07071	8.6
69.64998	1.7
69.65395	4.5
71.04984	1.0
71.08636	29.0
78.19120	0.7
79.05480	1.3
81.07062	17.9
83.08627	10.6
85.06543	1.0
85.10186	15.3
86.62858	0.9
89.06022	1.8
91.05466	1.0
93.07043	1.4
95.08611	19.7
97.10188	4.7
98.21552	1.1
98.98472	48.6
103.07639	1.4
107.08640	0.9
109.10160	18.5
119.08603	1.0
123.11703	2.9
125.13282	1.1
136.55565	0.9
136.99992	4.3
137.13266	2.4
153.01804	2.4
155.01050	52.4
155.10660	1.5
167.11841	0.9
173.11765	3.6
188.33119	0.9
193.02580	0.9
194.76579	0.9
211.03696	1.9
229.04720	1.8
239.23689	6.6
239.99680	0.8
246.46419	0.9
257.24594	1.1
313.27377	100.0
393.24130	2.7
449.26620	15.9
467.37411	15.9
473.37637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.3
51.02379	1.0
53.03943	0.3
54.20270	0.2
55.01872	0.4
68.51921	0.2
69.03442	1.3
69.42368	1.0
69.42793	0.6
70.06609	0.2
71.05019	0.2
79.01857	6.9
81.03413	1.4
83.51254	0.2
96.58844	0.2
97.02898	2.4
98.21613	0.2
107.01325	1.9
109.02888	1.2
122.06040	0.3
123.00774	0.4
125.02357	3.6
127.03926	1.7
139.03955	0.3
143.03410	6.6
148.43553	0.2
153.01843	100.0
153.02910	6.6
154.02191	1.2
171.02879	1.3
233.04449	0.3
237.03983	0.2
297.06180	1.8
467.08862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.4
51.02377	0.5
53.03941	0.4
53.29362	0.2
55.01866	0.2
57.03448	0.2
68.99796	0.2
69.03441	1.8
69.41732	0.6
69.42155	0.7
70.06601	0.3
71.05007	0.2
72.08160	0.4
79.01866	6.4
80.05033	0.2
81.03427	1.4
84.08116	0.3
85.02901	0.7
87.00872	0.2
91.05482	0.3
95.04992	0.3
97.02904	2.2
98.06066	0.2
105.03407	0.2
107.01323	1.6
107.04932	0.2
109.02885	1.1
120.08128	0.2
121.02899	0.2
123.00787	0.3
123.04439	0.7
124.19794	0.2
125.02363	3.0
126.05545	0.4
127.03931	2.6
130.50291	0.2
135.04440	0.2
137.05957	0.3
139.03899	0.9
140.07077	0.6
143.03409	6.1
144.08003	0.2
147.04420	0.4
149.02393	1.1
150.07085	0.2
151.03928	0.2
153.01848	100.0
153.02921	6.6
154.02168	1.1
159.04343	0.2
163.03888	0.6
165.05521	0.2
167.07043	0.2
171.02890	1.4
173.06053	0.4
177.05434	0.5
179.03412	0.3
181.04974	1.1
183.04564	0.3
184.04761	0.4
188.03810	0.4
189.05550	0.2
191.03395	0.2
191.07167	0.2
195.02869	0.4
201.05472	0.4
202.05771	0.2
205.05022	0.3
207.06668	0.2
210.34145	0.2
213.05650	0.3
217.05037	0.3
218.90906	0.2
219.06566	0.4
229.05013	0.6
230.05319	0.8
231.06531	0.6
237.07710	0.2
245.11339	0.4
255.05040	0.2
259.06030	0.8
261.07465	1.0
271.06439	0.2
279.05246	0.2
279.08630	0.4
283.97330	0.2
287.05630	0.3
293.08505	0.6
297.05984	1.7
305.06458	0.8
305.15723	6.3
346.69110	0.2
467.21060	52.4
468.21121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.4
51.02381	0.8
53.03943	0.5
55.01874	0.3
60.67873	0.2
69.03430	1.6
69.91129	1.1
71.04974	0.3
73.24384	0.2
79.01855	6.7
81.03430	1.2
85.02910	0.3
95.08598	0.2
97.02895	2.1
98.21432	0.3
99.04510	0.3
107.01346	1.4
109.02912	1.0
123.00768	0.3
125.02350	3.1
127.03947	1.6
136.06079	0.2
143.03404	6.3
153.01839	100.0
153.02911	6.8
154.02161	0.9
171.02873	1.2
183.46710	0.2
191.03569	0.3
205.05125	0.2
229.83199	0.2
233.04454	0.3
235.89188	0.3
237.03917	0.3
297.06100	1.9
438.70215	0.2
467.08621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.7
52.62043	0.2
53.03942	0.5
55.01881	0.4
55.05516	0.3
60.88733	0.2
69.03434	2.2
69.21707	0.8
69.22132	1.5
70.06600	0.3
79.01860	5.8
79.05484	0.4
81.03430	1.4
81.07045	0.3
84.08170	0.3
85.02883	0.5
89.23104	0.2
93.07053	0.3
95.04983	0.3
95.08617	0.3
97.02894	1.5
99.04464	0.3
102.35899	0.2
105.07092	0.2
107.01337	1.4
107.08625	0.5
109.02885	1.0
109.10216	0.3
123.00847	0.3
125.02361	2.8
127.03925	2.8
131.10307	0.2
143.03415	6.9
153.01843	100.0
153.02905	6.0
153.92818	0.2
154.02196	1.2
154.03366	0.2
163.03899	0.2
171.02914	0.9
191.03354	0.3
261.03830	0.3
279.05029	0.3
297.06000	1.5
303.04962	0.9
304.05499	0.4
305.02490	0.3
305.05377	1.2
449.07330	0.3
467.08490	0.4
467.23776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.3
51.02381	0.8
53.00296	0.3
53.03954	0.3
55.01878	0.3
69.03430	1.4
69.07076	0.2
69.70635	0.8
79.01859	6.7
81.03407	1.5
81.07052	0.6
95.08618	0.5
97.02904	2.5
98.21563	0.2
99.04485	0.4
107.01333	2.0
107.04966	0.4
109.02869	1.1
123.00792	0.4
125.02367	3.4
127.03918	2.0
143.03412	6.2
151.03847	0.3
151.07513	0.3
152.07947	0.2
153.01843	100.0
153.02913	6.4
154.02196	0.9
171.02930	1.4
174.26590	0.2
179.03432	0.2
191.03590	0.2
237.03947	0.3
297.06052	1.4
467.08130	0.4
467.20703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	10.0
57.03445	3.7
57.07079	100.0
58.36911	2.4
59.05006	48.1
67.05511	29.4
69.07045	6.3
71.04967	2.9
71.08636	78.2
71.52060	3.7
81.07059	9.4
82.29001	2.7
83.08610	9.3
85.10185	61.4
87.04469	3.8
89.06048	4.9
91.05441	3.3
94.84878	2.3
95.08613	10.1
96.22113	2.5
97.10176	4.3
99.11714	11.3
101.09669	3.7
101.43446	2.5
103.07582	5.0
109.10171	23.5
111.11705	2.5
113.13264	4.8
117.09137	19.2
120.91714	3.4
137.09544	3.0
155.17943	7.5
161.11617	2.5
173.11766	7.3
213.22118	10.0
271.26297	13.9
309.07230	2.4
342.32654	2.5
353.22186	2.5
449.38226	5.8
466.36230	5.8
467.37222	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	466.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20887	1.8
55.05508	4.9
57.03420	3.3
57.07075	95.9
59.05001	78.1
67.05497	13.0
69.07050	5.1
71.08633	100.0
71.43213	3.0
81.07053	2.5
83.08617	7.1
85.10184	88.2
89.06022	5.3
91.05480	1.8
95.08618	3.4
97.10172	2.7
99.08083	2.0
99.11733	12.6
101.06060	2.1
101.09651	3.8
103.07567	3.7
109.10153	10.6
117.09134	24.9
128.83504	1.6
130.08521	1.5
140.80209	1.7
141.16388	8.1
173.11703	3.2
175.13306	5.1
199.20586	13.4
206.88127	1.6
237.27788	1.7
241.28275	1.6
257.24750	16.5
352.07175	1.7
392.60062	1.9
404.43256	1.7
408.55746	1.5
449.38110	4.4
466.35742	3.9
467.37259	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	467.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.6
51.02385	0.9
51.89371	0.2
53.03947	0.3
55.01862	0.3
68.99786	0.3
69.03445	1.3
69.69919	0.4
69.70329	0.6
71.04986	0.3
79.01859	7.1
79.05504	0.3
81.02975	0.2
81.03419	1.8
81.07075	0.3
85.02914	0.3
87.00815	0.2
93.07069	0.4
95.05010	0.2
95.08591	0.3
97.02895	2.1
98.59065	0.2
99.04424	0.2
105.07047	0.2
107.01328	2.0
109.02882	1.0
121.06490	0.2
123.00832	0.4
125.02370	2.8
127.03914	1.6
135.11722	0.2
139.03914	0.3
143.03412	7.0
153.01842	100.0
153.02902	6.2
154.02208	0.7
171.02933	1.2
191.03387	0.4
237.03975	0.3
261.04150	0.2
264.72427	0.2
297.06082	1.6
368.71558	0.2
467.08301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26664	1.2
55.05504	3.2
57.03420	2.1
57.07077	100.0
59.04712	1.7
59.05003	31.4
67.05491	5.1
69.07063	3.3
71.08632	75.0
71.51662	2.0
73.02920	31.4
81.07049	2.5
83.08601	4.1
85.10184	67.7
87.04482	1.7
89.06032	4.4
95.08559	1.9
97.10165	3.3
99.11735	12.9
101.06001	2.2
101.09616	1.2
109.10179	3.9
113.13289	3.9
117.09121	8.4
127.48714	1.2
133.08609	1.6
151.09688	1.8
155.17931	8.2
159.32668	1.1
161.08141	1.6
207.63373	1.6
213.22131	11.0
219.12375	1.4
237.13258	1.3
271.26428	5.7
277.16577	1.6
336.26492	1.2
466.36688	1.4
467.37149	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	466.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97420	1.0
53.03955	1.1
55.05515	2.0
57.49086	1.1
65.03936	2.0
67.05506	3.3
68.29430	0.9
69.03445	2.3
70.06596	1.1
71.51006	1.6
79.01862	4.2
81.03422	1.9
83.04984	8.8
85.02917	3.0
86.06058	1.3
86.09727	1.0
91.05435	1.0
93.03415	1.1
94.07623	1.2
95.04993	3.1
97.02912	4.8
103.05479	1.0
103.96541	0.9
107.01297	1.1
109.02900	1.1
110.07111	1.4
111.04453	4.5
115.05464	1.8
117.07032	1.1
118.06425	1.2
121.02912	1.2
121.06533	2.3
125.02390	2.8
127.03957	2.3
129.06990	1.9
130.06570	1.2
134.06021	1.1
139.03897	2.9
139.05466	1.4
140.03453	4.0
143.03346	5.9
145.06505	2.4
153.01843	79.9
153.02911	4.9
155.04929	15.1
155.06075	1.4
157.06477	12.2
163.06383	1.7
165.05534	1.3
171.02951	1.8
171.04457	1.3
172.07561	1.5
173.06004	9.1
175.03886	1.1
179.68077	1.0
183.04428	43.8
185.05972	8.0
189.05461	10.0
190.05313	1.1
198.03116	1.6
199.03915	4.4
200.07094	2.0
201.05487	34.2
202.06215	3.6
211.03923	45.6
217.05002	11.0
218.08163	2.1
228.06665	3.0
229.04976	100.0
230.05734	8.5
231.06572	8.6
245.04483	11.2
246.07643	3.2
247.06035	7.4
252.70619	1.2
256.06000	2.1
257.04489	11.6
259.05966	1.4
274.07111	7.3
275.05511	23.2
292.08170	65.0
293.08176	1.3
297.06030	1.6
303.04733	1.5
304.05322	2.6
304.12943	2.9
403.10303	2.5
431.09830	5.3
448.12405	17.0
449.11023	6.6
466.13583	18.7
466.24255	1.4
467.21097	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	465.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10888	1.9
53.03951	3.8
53.62720	1.9
55.01860	4.2
55.05513	10.6
57.03427	5.7
61.02921	3.5
63.62614	2.0
67.05503	14.9
69.03422	5.7
69.07079	10.0
71.04992	5.4
71.50534	2.9
71.50945	2.7
73.59698	2.0
79.05500	10.8
81.03435	2.7
81.07061	52.9
83.04974	4.5
83.08617	5.1
85.02882	10.5
85.06526	7.1
86.09685	2.7
91.05486	14.8
93.07029	9.0
95.04950	4.5
95.08601	16.9
96.84458	2.0
97.02865	4.7
97.06491	6.4
97.10176	2.3
99.08082	3.0
103.05486	2.2
105.07031	23.2
107.08588	10.3
109.06511	4.9
109.10143	4.1
111.08118	2.6
117.06971	2.3
117.18167	2.5
119.08589	19.7
121.10167	12.5
123.04420	2.9
123.08096	3.3
123.11694	20.0
126.16483	2.3
127.07536	3.3
129.07092	2.3
133.10130	5.4
135.08002	2.2
137.05997	3.7
137.13229	2.2
139.03911	64.9
145.02855	2.4
147.04382	3.9
147.11690	45.2
151.03899	9.1
153.01843	7.6
157.10081	2.9
159.11765	2.2
163.03903	6.6
165.12764	20.3
177.01765	2.1
177.05466	6.6
177.31792	2.4
179.03410	2.2
183.13815	4.4
191.07094	2.3
203.03423	12.4
205.04926	3.6
217.08292	3.2
229.05046	3.8
229.14406	4.5
233.97478	2.0
257.04501	12.0
258.05225	8.4
267.15909	36.4
285.04044	3.1
285.16965	100.0
286.04712	8.4
287.05569	4.5
303.04913	24.0
303.07773	4.7
315.04898	4.0
319.04352	7.2
341.06595	8.9
344.40823	2.2
409.26926	2.3
421.14517	7.7
423.10382	4.2
447.10370	3.7
447.22321	3.4
465.11990	38.7
465.20929	3.9
465.28091	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	465.1183
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
52.38714	0.5
54.99545	0.5
55.01855	0.5
55.05500	1.6
57.03403	0.6
57.20244	0.5
67.01869	0.8
67.05495	2.5
67.74644	0.5
68.92220	0.5
69.07053	1.2
69.46709	1.8
69.47139	2.2
71.04980	0.7
77.86317	0.5
79.05481	1.7
81.07058	2.7
83.08611	0.9
85.02909	0.9
91.05480	3.5
91.93264	0.6
93.07046	2.4
95.04935	0.7
95.08633	1.1
98.20747	0.8
102.04693	2.0
105.07021	1.5
107.08583	1.3
109.10179	0.9
110.03653	0.9
114.17526	0.5
118.04261	0.6
118.11411	0.6
119.04910	1.7
119.08564	1.4
121.10147	0.8
122.16287	0.6
123.11742	0.6
125.05937	0.6
125.09673	0.6
130.04121	1.6
131.08536	0.6
131.11124	0.5
133.10126	0.6
135.04382	1.5
136.05203	1.3
137.05962	2.1
145.02904	0.6
146.03671	3.1
147.04431	3.3
148.05232	3.8
153.01826	7.0
153.05498	0.9
161.05984	2.7
162.06726	1.0
163.03915	1.3
163.11044	0.6
167.07108	0.8
178.69408	0.6
203.03391	5.2
229.04961	7.7
241.05009	1.8
242.05762	12.3
253.04915	3.8
257.04459	52.0
258.05234	20.2
258.07373	0.4
259.05930	0.9
269.04483	1.9
270.05194	2.2
271.06030	1.1
285.03958	8.8
286.04736	32.6
287.05524	17.8
295.05997	0.8
297.03915	6.2
299.05618	1.8
300.06049	0.6
303.05069	3.9
319.04626	1.0
327.05029	2.4
327.99310	0.7
341.06509	1.1
359.09317	0.7
373.07352	0.9
387.08685	1.1
403.08102	1.8
432.08615	2.7
435.10654	4.2
447.10837	14.5
448.10785	0.9
465.11853	100.0
466.12302	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	465.1031
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.68998	0.5
55.01876	0.8
57.03443	1.0
60.03851	0.5
61.02919	1.8
69.03434	3.6
69.96826	2.1
69.97214	1.1
70.36145	0.5
71.04987	0.6
81.03426	1.9
82.52683	0.6
85.02914	9.8
91.44556	0.5
97.02926	2.7
98.20846	0.8
109.02888	1.1
111.00796	0.7
121.02908	1.5
127.03925	1.4
135.04414	0.5
137.02347	5.2
145.04971	1.7
153.01845	5.2
165.01839	1.8
183.02887	1.4
183.04446	0.9
201.05394	2.7
219.06435	0.6
229.04964	5.4
247.06003	0.9
257.04407	3.5
274.04733	0.8
285.03970	0.9
303.05014	100.0
304.05429	2.3
319.04593	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1034
Annotation	Delphinidin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.47616	0.2
57.03423	0.2
67.01843	0.4
68.99770	0.3
69.03410	0.5
70.63840	0.5
70.64198	0.2
75.11605	0.2
76.73222	0.2
81.03378	0.2
84.66170	0.2
85.02901	0.4
88.45616	0.2
94.43992	0.2
97.02884	0.3
105.03375	0.3
109.02857	0.3
125.31391	0.2
127.03912	0.3
133.02823	0.2
148.85248	0.2
151.03893	1.4
153.01839	5.0
171.02823	0.2
177.01826	0.5
195.02855	0.3
203.03381	0.8
215.03302	0.2
229.04973	0.5
257.04376	1.8
285.03952	0.7
290.30417	0.2
302.04190	0.5
303.05011	100.0
304.05386	2.0
319.04559	0.3
333.06198	0.3
465.10330	19.4
466.10825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
60.36461	0.1
62.17056	0.1
64.12899	0.1
67.01875	0.6
68.99770	0.4
69.62335	0.6
69.62738	0.3
81.07038	0.2
85.02897	0.3
86.95605	0.1
95.04943	0.2
127.03866	0.3
133.02850	0.3
151.03926	1.8
153.01840	5.0
171.02911	0.2
177.01840	0.4
180.50148	0.1
201.05493	0.2
203.03363	0.9
215.03264	0.1
219.02858	0.2
221.48480	0.1
229.05020	0.6
257.04437	1.8
285.03845	0.8
303.04999	100.0
304.05334	1.8
325.52036	0.1
465.10397	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	464.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91703	0.4
56.96569	0.6
61.13235	0.5
65.64452	0.5
69.25150	4.5
70.06575	0.5
71.08636	19.8
79.19936	0.4
81.03400	0.7
85.02895	0.9
86.09704	0.6
87.64339	0.5
88.11272	100.0
89.11596	0.8
91.05485	0.7
93.07066	0.6
95.04961	0.5
97.02939	0.5
103.05502	0.7
116.07059	0.5
120.08113	2.7
121.03008	0.5
121.06525	3.2
123.04485	0.6
130.08568	0.6
135.28549	0.5
137.06000	2.3
138.05545	1.3
138.09164	1.1
139.03929	2.6
150.07687	0.6
153.01839	1.6
154.08647	0.6
163.03995	0.7
166.08696	1.0
179.07178	0.8
181.04906	0.5
181.26892	0.5
190.80838	0.5
194.51245	0.5
223.93132	0.5
255.63391	0.5
296.11429	1.3
303.05045	0.7
319.08261	0.8
336.85303	0.5
464.15503	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	Myricetin-3-Rhamnoside
Peak:m/z	Relative Intensity
52.80419	1.5
53.03113	1.7
57.03426	3.7
59.61555	1.3
70.48461	3.7
70.48844	2.5
71.05000	27.1
76.69022	1.8
85.02910	27.1
85.33955	1.7
111.00790	2.8
127.03996	1.7
127.31525	2.1
129.05473	5.2
153.01857	7.8
165.01874	3.5
179.03239	1.9
189.05341	2.2
199.85338	1.5
217.05022	3.1
245.04370	3.3
273.03979	4.1
283.82440	1.8
303.05014	16.9
319.04510	100.0
320.04752	2.1
331.04382	1.9
343.04544	1.8
361.05658	3.5
364.82599	1.6
429.07886	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.8
57.07074	3.4
67.05494	4.2
69.03420	6.0
69.07064	2.9
70.06577	1.5
70.45328	5.5
79.05487	3.4
81.03417	4.4
81.07072	9.2
83.04980	2.6
85.02931	3.7
85.06542	2.9
86.80152	1.5
87.00816	2.8
87.96648	1.5
90.00752	1.4
91.05470	3.8
93.07038	7.2
94.02931	3.9
95.05000	3.3
95.08611	9.1
95.09111	1.5
97.02863	2.6
97.06516	2.1
99.04460	2.6
105.01813	2.2
105.07041	3.9
107.08574	8.0
109.02920	2.7
109.06533	2.5
109.10170	5.0
111.04451	31.1
112.04023	1.6
119.08592	3.1
121.06510	5.4
121.10141	3.8
125.06009	12.7
127.03920	4.3
133.10146	4.2
135.08051	7.1
135.11694	10.2
137.05991	2.9
137.09543	2.7
145.10077	8.7
151.07574	10.6
152.07927	2.7
153.01845	3.6
153.12735	2.7
163.11183	7.2
181.12244	100.0
191.10695	3.2
199.13292	13.1
206.12682	1.9
231.05257	1.6
301.35965	1.7
302.07349	2.9
303.05096	3.8
312.12888	1.8
464.17908	3.9
464.27036	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.2
55.44561	1.1
57.03437	1.2
57.07066	5.4
58.10400	1.3
59.90872	1.2
62.81480	1.4
64.68382	1.2
65.03944	1.2
67.05496	5.8
69.03430	3.5
69.07055	4.5
69.53487	7.6
70.06592	2.8
71.04981	1.4
72.08142	1.2
78.94140	1.2
79.05503	2.7
81.03412	4.0
81.07057	6.2
83.04971	4.6
85.02894	5.8
85.06551	2.2
87.00816	2.7
91.05484	3.6
93.07053	8.4
95.04961	1.4
95.08601	7.5
97.02866	4.3
97.06535	2.1
97.10170	2.4
99.04488	1.2
105.01870	2.7
105.07014	2.0
107.08585	9.6
107.86575	1.2
109.02867	5.3
109.03526	1.3
109.06446	1.6
109.10164	3.2
111.04451	30.9
111.08074	2.1
112.45138	1.2
119.08569	3.2
120.08097	1.3
121.06499	4.4
121.10136	2.7
123.08049	2.0
125.05998	14.5
127.03934	6.0
127.07548	1.3
133.10135	2.8
135.08047	6.0
135.11688	8.2
137.06023	1.8
139.03911	2.0
139.07521	1.4
145.04964	2.5
145.10132	5.9
151.07538	3.1
153.01782	1.2
153.05515	1.5
153.12785	3.6
163.11186	7.1
163.14806	2.3
181.12239	100.0
181.15758	3.6
182.12543	1.8
185.63557	1.4
199.13287	8.3
202.65565	1.3
204.49309	1.3
222.87047	1.5
231.05048	2.4
291.59866	1.5
303.05145	2.7
355.74915	1.4
464.27466	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73488	5.6
55.05512	54.4
57.07077	56.7
61.68986	6.9
67.05492	23.5
69.07070	76.6
69.22086	7.7
69.22485	48.3
71.05001	36.0
71.08633	43.0
73.01131	4.9
79.05498	17.3
79.26086	5.2
81.07064	53.0
83.04940	6.2
83.08627	47.9
85.10181	26.7
91.05479	26.0
92.30488	5.8
93.07038	23.7
95.00149	4.7
95.05031	7.3
95.08621	43.6
97.09158	5.5
97.10168	42.7
99.04450	17.2
99.11707	7.6
105.07007	11.4
107.08592	21.8
109.06509	24.5
109.10151	25.9
111.08103	10.1
111.11714	22.8
119.08553	8.7
121.06567	9.9
121.10135	10.6
123.08109	7.0
123.11717	16.8
125.05997	100.0
125.13248	10.3
127.03922	44.5
131.08597	13.1
133.10120	7.6
135.08087	10.6
135.70753	5.3
137.05965	64.5
137.13306	7.8
139.07549	37.3
149.06042	7.1
149.09612	12.8
151.07581	28.2
161.09578	6.5
165.05475	11.9
165.09151	12.0
167.07037	43.5
175.11232	6.4
177.09131	90.0
179.07030	14.2
181.08644	10.4
193.08659	6.7
216.39178	5.8
217.12318	5.7
219.13797	6.8
286.83368	6.5
315.63556	5.7
399.36298	15.2
403.35745	43.4
417.37439	11.0
427.35690	11.6
431.37924	7.5
445.36984	31.5
463.37518	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3787
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
51.40615	0.9
52.89667	0.8
53.03961	0.8
55.01839	1.1
55.05516	11.5
56.32493	0.8
56.76368	0.9
57.07082	34.6
60.35181	0.9
64.23184	0.8
65.03935	1.0
65.32954	0.9
67.05511	6.5
69.07072	24.2
69.68694	0.9
71.08637	20.2
75.88419	1.1
79.05500	6.1
81.07061	18.5
83.08622	15.5
85.02922	1.2
85.10184	13.8
87.93549	1.1
91.05489	4.3
93.07049	6.5
95.04918	1.2
95.08620	13.9
95.09193	1.6
97.02895	1.1
97.06533	3.4
97.10189	9.6
98.20728	2.6
99.04459	3.7
99.08055	1.0
99.11768	0.9
105.07040	5.5
107.04976	1.6
107.08584	4.5
109.06528	11.1
109.10162	8.2
111.08091	2.4
111.11711	4.7
117.07060	1.1
119.08578	3.8
121.06525	2.5
121.10145	4.7
123.08086	10.1
123.11709	4.0
125.05988	13.0
125.09649	1.4
125.13262	1.3
127.07568	39.9
131.08559	1.5
133.10120	2.7
135.08080	2.7
135.11703	1.9
137.05981	3.7
137.09601	3.4
137.13284	1.3
139.07550	100.0
140.07852	1.0
145.10106	2.1
147.08128	1.2
147.11671	2.6
147.70039	0.8
149.05966	4.3
149.09654	1.9
149.13284	2.4
151.07561	6.9
151.11142	0.9
153.09155	1.8
159.11766	1.2
160.39684	0.8
161.09665	1.3
161.13289	2.2
163.07579	2.6
163.14919	1.2
165.09134	3.6
165.16383	0.9
167.07060	6.0
171.11679	1.1
175.14836	1.6
177.09129	13.4
177.12634	1.2
179.10706	1.6
187.11072	1.2
187.14908	1.2
189.12755	2.0
191.10677	1.1
193.12279	1.6
195.10110	1.0
203.14238	1.2
205.12292	1.0
207.13809	1.1
221.15295	1.2
233.15482	1.5
249.14850	2.5
301.28888	3.1
319.30026	10.4
347.33105	15.6
357.35529	0.9
373.30914	3.9
385.34421	0.9
389.37848	1.2
399.36267	2.3
403.35883	2.1
417.37265	17.1
427.35742	3.5
445.36813	36.0
463.37845	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	463.3784
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03920	2.3
55.05511	16.9
57.07080	34.1
63.20826	1.8
64.96837	1.4
65.03922	1.9
67.05507	8.0
69.06737	1.7
69.07075	26.6
71.08636	29.0
79.05482	6.0
81.07056	21.7
83.04984	1.9
83.08232	1.5
83.08625	16.7
85.10188	14.5
91.05479	5.4
93.07043	7.3
95.04939	2.0
95.08158	1.5
95.08618	17.3
97.06537	3.8
97.10184	11.4
98.21517	3.8
99.04438	6.1
105.07042	9.6
107.08616	9.0
109.06544	14.5
109.10172	9.5
111.08065	2.5
111.11691	6.3
119.08571	6.4
121.06522	2.4
121.10125	5.8
123.08074	11.7
123.11689	3.2
123.72036	1.5
125.05996	15.2
125.09640	2.1
125.13256	1.8
127.07559	43.6
131.08589	3.4
133.10132	3.2
135.08058	2.6
135.11693	2.5
137.05974	8.5
137.09619	3.8
139.07547	100.0
147.11655	2.7
149.05933	2.9
149.09622	3.5
149.13275	2.7
151.07547	11.0
151.11195	2.7
159.11711	2.2
161.13219	2.6
163.07541	2.8
163.14824	1.9
165.09106	3.2
167.07071	7.5
175.14760	3.2
177.09100	17.1
179.07076	1.9
179.10652	1.8
189.12732	2.7
190.13434	2.0
193.12273	2.4
195.10220	1.8
207.13882	2.5
219.13892	2.1
249.14955	2.6
301.28918	5.0
308.73129	1.5
319.29919	14.7
347.33072	12.2
373.31024	5.0
389.37796	2.3
399.36224	2.4
403.35641	3.9
417.37268	20.4
427.35645	5.0
445.36826	57.1
463.31757	2.7
463.37851	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	463.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34151	4.4
55.05513	55.3
57.07083	72.9
60.27357	4.2
60.51811	4.7
67.05511	29.4
69.06689	5.5
69.07068	100.0
71.04981	5.0
71.08632	54.3
71.43418	7.7
73.73986	4.2
79.05490	25.5
81.07057	69.5
81.32851	4.2
83.08157	4.8
83.08627	67.5
85.10185	28.1
86.64863	4.6
89.05984	5.7
91.05481	22.0
93.07041	46.3
95.04942	6.0
95.08614	62.9
97.06532	5.1
97.10173	42.7
105.07037	34.9
107.08604	67.2
109.06530	27.2
109.10152	36.8
111.08056	14.0
111.11726	31.7
119.08581	38.4
121.06483	11.2
121.10157	33.5
123.08057	22.0
123.11720	19.5
125.06006	11.9
125.13290	9.1
127.07585	5.3
131.08562	18.6
133.10138	37.0
135.08083	41.0
135.11687	12.8
137.06004	11.0
137.09663	12.4
137.13216	5.4
139.07481	9.0
143.08569	6.8
145.10124	12.9
147.08069	12.2
147.11676	26.5
149.09663	11.4
149.13261	18.6
151.07553	18.0
151.11203	8.4
157.10153	14.3
159.11708	13.8
161.09619	9.8
161.13269	33.4
163.11208	7.6
163.14851	5.9
165.09016	8.5
167.07050	11.6
173.09650	6.4
173.13319	7.8
175.07626	9.6
175.11206	13.0
175.14862	12.1
177.09123	16.2
177.12793	6.6
179.07028	10.8
179.10548	5.1
181.08640	27.9
185.13271	7.8
189.09090	7.1
189.12743	18.4
193.08658	8.4
199.15024	6.2
203.10721	6.8
203.14352	9.6
205.12227	6.1
217.15817	7.2
221.11667	7.9
229.15947	5.1
231.13776	9.0
235.13361	12.4
237.14853	11.0
245.15392	8.8
255.21078	5.1
291.19559	9.6
301.21591	4.9
305.21136	6.4
307.29813	6.8
319.22675	8.2
357.35178	43.5
375.28922	9.3
375.36243	18.1
385.34479	10.1
389.30258	7.7
399.36200	30.5
403.35608	8.7
417.37271	21.8
427.35580	38.1
445.36719	61.6
463.37756	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	463.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.05508	4.4
55.89924	0.8
57.03417	1.1
57.07078	1.0
59.04994	3.1
60.48081	0.8
65.59751	0.8
67.05246	0.7
67.05510	8.3
69.03416	2.9
69.07074	5.4
71.50643	1.8
79.05499	4.2
81.03417	2.3
81.07066	10.3
83.01357	1.5
83.04971	2.7
83.08611	1.5
85.02906	1.3
85.06543	2.2
91.05479	4.3
93.07057	6.0
95.04955	2.0
95.08611	13.7
97.06533	1.5
97.10165	1.9
105.07034	6.6
107.08590	4.6
108.76274	0.9
109.06514	0.9
109.10146	5.4
111.04472	4.6
111.08112	0.9
111.11668	1.1
115.27957	1.0
116.86189	0.9
117.07018	1.1
119.08590	4.7
119.09264	0.9
121.06510	3.5
121.10117	3.3
123.08081	12.1
123.11698	2.6
125.09643	1.6
127.03912	1.4
131.08563	4.4
133.06429	0.9
133.10143	1.8
135.08066	10.2
135.11723	2.1
137.06000	2.9
137.09642	1.1
139.03897	2.5
143.08604	0.8
145.10138	5.8
147.04361	1.5
147.07988	0.9
147.11700	2.5
149.09596	3.1
149.13263	1.7
151.07555	96.1
152.07895	1.7
153.01875	1.2
159.08061	3.8
159.11682	2.6
161.05959	1.3
161.09598	1.5
162.06737	1.1
163.07603	1.3
163.11156	6.6
165.09094	2.8
167.07098	1.5
173.09644	5.3
175.11214	2.7
176.08351	6.6
177.09119	26.1
177.12721	1.0
178.09343	1.2
187.11206	3.0
187.14854	0.9
189.12782	1.1
190.09901	2.9
191.10684	100.0
192.11058	1.2
199.11310	1.0
203.10690	1.1
205.12251	43.0
217.16002	0.9
219.13797	1.6
301.07010	1.9
322.72046	1.1
335.56888	0.9
342.85568	0.9
409.30899	2.4
427.32492	4.2
445.33511	6.0
463.26620	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	463.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56427	0.4
55.05512	2.3
57.07055	0.5
67.05505	5.2
69.03410	1.4
69.07072	8.9
70.56359	1.6
79.05492	1.6
81.03458	0.4
81.07060	5.5
83.04957	0.5
83.08614	0.6
85.06556	0.7
89.27424	0.5
91.05464	1.4
93.07051	3.3
95.04969	1.0
95.08610	10.3
97.10147	0.5
99.08099	0.8
105.07050	2.6
107.04968	0.6
107.08575	2.2
108.05734	0.5
109.06533	0.9
109.10165	3.5
111.04459	0.8
111.11744	2.5
119.08604	0.8
121.10163	1.5
123.07207	0.7
123.08080	11.7
123.11757	2.4
123.12489	0.5
127.11179	1.3
131.08585	0.7
133.10106	0.8
135.08080	2.4
135.11700	1.3
137.05995	0.6
139.11189	2.1
149.09633	1.0
149.13264	1.0
151.07552	100.0
152.07878	1.4
153.01826	0.6
153.12787	0.9
159.08023	0.6
159.11752	1.1
161.09621	1.5
161.13373	0.6
163.11154	0.6
163.53981	0.4
165.09126	0.7
173.09660	0.9
175.11150	3.0
176.08362	1.0
177.09122	6.6
187.11214	0.5
189.09122	1.0
189.12767	1.3
190.09892	0.5
191.10690	14.2
203.10721	1.5
205.12245	5.2
215.10690	0.6
217.12378	0.7
227.10841	0.5
259.17117	0.5
285.18466	1.5
295.26337	0.6
303.19592	1.4
307.26440	1.0
317.21155	1.0
409.31454	0.9
427.32169	3.2
445.33115	1.7
463.26440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.3
57.07061	1.2
67.05505	6.7
69.03416	1.8
69.07071	14.2
70.56221	1.7
76.31889	0.7
79.05485	2.8
81.07062	10.6
82.49293	0.8
91.05476	2.1
93.07073	4.4
95.04985	1.4
95.08622	9.8
97.06509	1.3
99.08095	1.5
105.07044	4.7
107.08609	3.0
108.05756	1.5
109.06554	1.5
109.10166	4.5
111.04422	2.0
111.11717	3.1
119.08588	2.1
121.06481	1.0
121.10184	2.4
123.08080	11.3
123.11716	3.8
124.07576	1.3
127.11198	1.9
131.08591	1.5
133.10158	1.6
135.08083	2.0
135.11691	1.4
137.06001	4.5
137.13336	0.9
139.11240	4.5
143.08521	1.3
145.10152	2.1
147.11627	1.0
149.09709	1.0
149.13318	1.2
151.07556	100.0
152.07866	2.2
153.12778	1.2
159.11786	1.3
161.09618	1.9
162.97255	1.0
163.11206	1.0
165.09134	2.1
173.09651	1.2
175.11234	2.9
176.08347	0.9
177.09157	5.4
187.11177	0.9
189.09106	1.3
189.12770	1.9
191.10684	14.3
194.36424	0.8
194.93077	0.8
201.12610	1.0
203.10645	2.4
205.12230	6.7
249.44032	0.8
259.16873	1.1
277.17950	1.9
285.18674	0.9
303.19513	1.8
307.26212	1.0
427.32120	2.2
445.33264	1.0
463.27304	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.5
55.01865	8.5
55.05517	31.2
57.03426	12.8
57.07066	2.7
61.71489	2.4
63.01516	2.6
65.03931	6.0
67.05507	100.0
69.07072	32.9
69.77485	17.1
69.77850	2.4
71.04990	5.9
71.08634	6.6
79.05500	75.9
81.03407	6.0
81.06592	6.0
81.07057	90.3
83.04971	7.2
83.08609	17.2
85.06523	4.6
91.05486	84.6
93.06487	5.0
93.07047	82.9
95.04965	11.1
95.08079	3.2
95.08620	52.7
97.06524	14.8
97.10155	7.6
98.21408	4.1
98.77145	2.5
99.08061	6.4
105.07035	72.2
107.04938	5.4
107.08601	46.3
109.06512	8.9
109.10181	17.2
111.08059	6.0
112.99987	3.7
115.05463	3.3
115.17699	2.4
117.07023	32.9
119.08582	38.5
121.06503	8.5
121.10152	31.1
123.08063	4.3
123.11702	3.8
123.80029	2.6
128.06198	3.4
129.07001	19.5
131.08578	58.5
133.06509	3.4
133.10135	31.2
134.35278	2.9
134.50201	2.8
135.08055	7.4
135.11716	16.5
137.09541	3.3
141.07001	8.0
142.07773	3.6
143.08577	24.0
145.06538	2.9
145.10127	26.9
147.08055	5.1
147.11671	8.3
149.09628	6.9
149.13248	24.6
151.11197	4.1
155.08516	11.7
157.10132	9.8
159.08076	3.9
159.11707	19.3
161.09581	4.5
161.13257	4.8
163.11203	8.6
167.08595	5.6
169.02554	3.6
169.10124	8.1
171.11681	10.8
173.13214	3.0
177.12804	3.6
179.14320	4.2
181.10172	3.6
183.11717	4.4
185.13300	9.0
187.14803	4.7
195.11797	5.2
195.13802	7.9
197.13242	6.5
199.14767	4.1
201.12759	3.2
201.16388	2.9
203.86438	2.6
209.13208	5.3
211.14804	6.1
225.16347	2.7
227.12761	5.6
247.16986	4.4
261.18570	4.4
273.18539	5.1
277.21585	6.0
285.98615	2.9
325.25262	7.3
335.23627	7.5
343.26404	13.8
351.25241	4.9
353.24756	34.0
371.21347	4.3
371.25815	49.0
389.26886	39.4
427.28336	3.8
445.29550	72.7
446.29776	4.5
463.30698	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.6
55.01882	5.4
55.05511	30.0
57.03433	10.4
57.07066	3.3
64.04828	2.3
65.03952	3.7
67.05509	100.0
67.83142	2.6
69.07069	24.6
69.83084	15.3
71.05000	6.8
79.05501	72.8
80.74861	3.1
81.03435	4.2
81.07062	95.1
83.04975	6.4
83.08620	13.7
85.06548	6.1
85.40002	2.5
91.05484	89.7
93.06485	4.8
93.07047	75.1
95.04977	14.7
95.08616	51.8
97.06535	10.8
97.10189	4.5
98.21532	3.2
99.08107	2.9
100.09512	2.7
103.05478	4.5
105.07036	83.7
107.04945	9.9
107.08601	38.8
109.06521	9.0
109.10165	17.8
111.08087	5.7
115.05460	5.9
117.07025	44.9
118.25264	2.5
119.08587	52.7
121.06503	6.8
121.10151	27.7
121.48921	2.7
123.08070	6.8
127.31390	2.9
128.06201	5.3
129.07016	30.0
130.07790	3.5
131.08583	65.4
133.06534	3.1
133.10133	33.0
135.08058	7.8
135.11699	12.6
137.09627	5.0
141.07004	8.9
142.07765	2.6
143.08563	28.6
145.06540	7.2
145.10144	34.0
147.08057	7.9
147.11708	12.1
149.09598	7.8
149.13249	8.9
151.11200	3.5
155.08563	10.0
156.09349	3.2
157.10150	15.6
159.08098	3.8
159.11703	23.0
161.13297	5.2
163.11296	3.4
163.12825	2.4
165.07016	2.9
167.08594	7.0
169.10124	11.8
171.11650	15.4
173.13252	10.3
177.12767	8.1
181.10129	8.4
183.11719	7.2
185.09724	3.6
185.13229	10.0
187.14812	5.5
189.12737	3.3
195.11787	3.3
195.13762	5.7
197.13309	10.0
199.11270	4.0
199.14821	4.4
209.13300	5.0
211.11047	2.9
211.14833	2.9
219.13832	3.0
221.13393	3.0
223.14931	6.1
225.16350	3.4
229.15881	4.1
233.15434	7.5
243.17412	2.9
247.16986	8.9
259.16937	4.6
261.18579	3.1
325.25189	10.1
335.23541	13.0
343.26282	24.3
351.25186	4.2
353.20535	3.6
353.24774	49.9
371.25812	60.4
389.26898	54.3
427.28568	4.1
445.29550	67.8
447.86075	3.0
463.30640	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.4
54.00235	3.0
55.01880	5.6
55.05318	2.3
55.05519	29.0
57.03432	9.2
57.07079	3.2
65.03944	6.8
67.05512	93.9
67.49498	2.7
69.07077	32.9
71.04980	4.4
79.05502	79.3
81.06590	5.2
81.07065	100.0
83.05003	5.5
83.08615	11.0
85.06527	5.2
91.05492	79.7
93.07056	72.3
95.04957	10.4
95.08624	51.9
97.06528	6.6
97.10181	6.9
103.05505	4.4
105.07040	72.1
107.04961	6.6
107.08611	37.8
109.06562	6.4
109.10184	14.0
111.08073	7.0
117.07028	38.2
119.08588	43.1
121.06523	8.7
121.10158	26.5
123.08041	4.0
125.09580	3.9
128.06265	6.1
129.07021	26.3
131.08594	58.3
133.10152	32.3
135.08076	6.5
135.11713	10.8
137.09612	3.7
141.07016	8.4
143.08566	20.7
145.06506	4.6
145.10153	32.1
146.79588	3.4
147.08054	7.5
147.11696	10.1
149.09654	6.4
149.13290	16.0
151.11153	3.5
155.08537	10.2
157.10138	19.6
159.08057	3.9
159.11746	18.9
161.09666	4.1
161.13248	3.1
167.08578	6.1
169.10139	12.3
171.11708	12.9
173.09563	2.9
173.13283	8.1
177.12750	6.2
181.10107	4.3
183.11693	8.6
185.13274	7.6
187.11188	3.0
187.14694	3.5
195.11801	4.7
195.13809	4.3
197.13292	6.1
199.14915	6.0
209.13307	4.5
211.14952	6.3
219.06491	3.3
225.16331	4.8
235.14870	3.9
247.16957	4.0
255.17435	3.3
259.16885	3.6
273.18512	3.4
325.25247	9.4
335.23734	9.1
343.26395	14.5
353.24814	37.8
371.25867	43.3
389.26950	53.0
427.28305	4.4
437.83176	3.3
445.29489	95.5
463.30573	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.0
53.03946	7.5
55.01871	5.6
55.05515	37.2
55.50534	2.0
57.03440	10.2
57.07077	4.8
58.44633	1.8
59.05006	2.5
63.25738	2.1
65.03938	5.4
67.05506	100.0
69.07069	35.6
69.07420	3.7
69.45785	3.8
69.46186	13.3
71.04989	5.1
71.70448	2.0
79.05497	72.4
81.03426	5.3
81.07063	93.2
83.04998	6.4
83.08630	19.7
85.06582	5.0
91.05484	97.5
93.07044	77.2
95.04953	10.8
95.08607	50.5
97.06016	2.1
97.06532	12.5
97.10169	7.7
99.00874	2.8
103.05453	4.4
105.04521	3.8
105.07032	82.7
106.07311	2.5
107.04960	5.7
107.08594	39.2
109.06535	9.9
109.10169	15.2
111.08095	3.3
115.05497	6.3
116.06239	4.6
117.07027	50.5
119.08582	55.1
121.06498	12.8
121.10145	26.2
123.08061	7.1
123.11662	4.2
125.09645	3.6
128.06221	8.1
129.07024	29.1
131.08577	76.4
133.06538	4.3
133.10130	32.6
135.08035	6.2
135.11705	9.4
137.06013	2.6
137.09636	3.8
141.06978	11.3
142.07811	2.4
143.08569	29.0
145.06519	4.8
145.10143	37.2
145.11179	4.0
147.08058	6.8
147.11693	10.0
149.09636	8.5
149.13284	12.5
155.08539	14.6
157.10144	18.5
159.08052	4.0
159.11700	22.8
161.09584	6.5
161.13239	6.5
163.11214	5.2
167.08601	5.6
169.10181	16.0
171.11667	13.3
173.13290	9.3
177.05487	3.8
177.12762	4.8
181.04933	4.8
181.10118	10.3
183.11679	9.7
185.09595	3.8
185.13272	7.6
187.11208	4.5
187.14848	7.0
195.06526	14.4
195.11671	5.2
195.13866	4.3
197.13292	12.4
199.10912	2.7
199.14838	5.1
201.12758	4.7
209.08063	6.4
209.13300	8.7
209.15199	2.4
211.14888	5.5
213.12732	4.1
213.16435	2.2
215.14349	2.9
217.15901	2.0
219.13716	3.6
219.17360	2.5
223.09714	7.5
223.14789	4.3
225.16371	3.0
227.14452	2.9
229.16020	2.9
233.15364	5.5
237.11278	6.7
244.48665	2.4
247.16985	6.9
251.12767	5.8
259.16931	4.7
261.18469	4.9
273.18365	4.7
307.24249	2.6
325.25299	8.7
335.23596	14.8
343.26312	19.1
353.24762	45.3
371.25815	61.2
389.26898	57.8
400.54144	2.5
409.27130	2.1
427.28278	5.1
445.29343	69.8
463.30441	38.9
463.34927	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	463.3058
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03941	4.5
55.01865	4.2
55.05514	20.0
57.03447	6.0
57.07071	2.7
57.65402	1.2
65.03941	2.7
67.05508	75.7
69.03420	1.7
69.07072	23.8
70.56749	3.7
71.04996	5.6
72.81068	1.2
76.99805	1.1
79.05018	1.3
79.05497	48.0
81.03425	5.3
81.07062	100.0
83.04983	7.6
83.08623	20.2
85.06556	4.2
91.05483	36.5
91.06022	2.5
93.07047	72.2
95.04982	8.4
95.08614	27.0
97.06534	10.9
97.10183	3.5
99.08091	3.7
105.04504	2.0
105.07036	14.7
107.04991	2.4
107.08598	38.7
109.06531	3.4
109.10167	4.6
111.08103	10.4
117.07043	12.1
119.08559	7.2
121.06545	3.1
121.10136	18.0
123.08064	1.7
123.11726	4.5
125.09683	1.7
129.07045	3.6
131.08569	12.3
133.10136	14.5
135.08084	3.3
135.11710	12.8
141.07069	1.3
145.10143	3.3
147.11708	2.1
149.09653	1.9
149.13266	40.7
151.11270	1.5
156.13052	1.2
157.10162	1.6
159.11697	19.0
169.10141	1.3
171.11734	1.7
177.12778	8.6
185.13321	1.6
195.13834	22.3
197.13220	1.3
213.14838	1.8
227.12804	1.6
353.24911	3.1
371.25769	4.1
389.26865	2.7
445.29297	6.8
463.30630	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.01878	3.6
55.05516	27.1
56.21791	1.8
57.03452	8.1
57.07076	2.2
58.98025	1.7
65.03942	3.7
67.05510	82.0
69.06728	2.8
69.07073	33.8
69.21543	1.4
71.01340	1.8
71.04991	6.8
79.05497	55.2
81.03426	3.3
81.07063	100.0
83.04985	6.2
83.08619	18.0
85.06548	5.3
89.70046	1.8
91.05489	49.5
93.07051	72.5
93.18388	1.6
95.04989	8.3
95.08614	37.7
97.06534	12.2
97.10169	4.9
99.08037	1.8
100.70011	1.7
105.04563	2.9
105.07034	42.7
107.04968	5.8
107.08599	43.5
109.06523	4.1
109.10124	8.8
111.08088	7.4
115.05475	2.6
117.07031	22.8
119.08577	20.2
121.06538	5.9
121.10149	25.1
123.08082	4.5
123.11700	2.5
125.09675	2.4
128.06235	3.7
129.06999	10.1
131.08580	41.8
133.06519	3.9
133.10158	19.5
135.08075	3.8
135.11699	10.9
139.11218	3.3
141.07021	4.8
143.08560	9.9
145.06476	2.3
145.10109	14.1
147.08058	4.0
147.11731	6.5
149.13286	26.0
155.08566	7.6
157.10135	10.6
159.11732	20.7
161.09651	2.0
161.13344	2.5
163.11179	2.5
166.19554	1.7
167.14224	1.8
169.10138	2.9
171.11745	6.0
172.54442	1.9
173.13274	3.9
177.12819	8.1
183.11717	3.2
185.13370	4.1
195.11966	3.1
195.13803	18.9
197.13277	5.1
199.14899	3.1
201.12752	2.4
213.12749	1.9
213.14763	2.7
215.14346	3.1
223.14883	4.3
223.38570	2.0
225.16432	2.1
237.16426	2.1
241.15862	2.0
325.25256	2.8
335.23886	4.4
343.26413	6.2
353.24750	21.0
371.25800	26.5
389.26968	21.5
393.72061	1.9
427.28232	2.6
445.29501	42.4
463.30582	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88824	2.7
53.03934	6.9
53.63464	2.0
53.77280	2.3
55.01875	6.0
55.05511	27.5
57.03421	9.1
57.07061	7.2
59.04987	5.1
65.03935	6.8
65.14714	2.2
67.05505	84.9
69.07066	27.8
69.70872	2.7
71.04983	7.1
71.08627	9.1
73.06544	3.6
79.05495	68.2
81.03417	3.4
81.07058	100.0
83.04980	6.2
83.08617	19.1
85.06541	6.4
85.10207	4.3
87.04454	5.1
89.06027	11.1
89.85938	2.5
91.05483	79.9
93.06483	4.4
93.07044	70.1
95.04950	8.5
95.08608	42.9
95.38528	2.4
97.06532	12.4
97.10143	4.2
103.05424	4.8
105.04499	3.9
105.07030	60.4
107.04962	4.5
107.08594	38.8
109.06542	3.5
109.10152	15.3
111.08085	9.2
115.05423	3.7
117.07020	35.1
118.16933	2.6
119.08582	37.9
121.06485	9.0
121.10155	27.5
123.08073	6.0
123.11672	4.5
125.09618	5.5
128.06200	4.2
129.06996	24.7
130.07719	2.6
131.08578	54.2
133.06453	4.3
133.08601	5.8
133.10152	26.1
135.08069	6.4
135.11668	9.4
137.05968	3.0
137.09575	2.7
141.06929	6.4
142.07784	3.1
143.08554	21.5
145.06487	2.8
145.10106	23.3
147.08052	7.1
147.11673	7.3
149.09599	3.7
149.13274	18.1
151.11180	3.7
155.08566	9.7
157.10138	13.1
159.08157	3.3
159.11693	25.0
161.09573	3.4
169.10133	8.1
171.11687	10.4
173.13205	4.9
175.14827	2.7
175.52263	2.5
177.11172	3.0
177.12752	4.7
179.14310	2.4
181.10133	5.8
183.11742	4.7
185.09624	5.3
185.13220	6.1
187.11249	5.0
187.14886	2.6
195.11671	5.5
195.13814	7.2
197.13336	5.8
199.14841	2.6
201.12808	3.8
201.16441	2.5
211.14781	4.6
213.16420	3.5
223.14861	2.8
229.44432	3.2
233.15370	5.5
245.15463	2.7
247.16891	4.1
259.16968	4.0
261.18564	4.7
273.18500	4.2
296.51483	2.6
305.21207	2.5
325.25018	5.1
335.23706	7.5
343.26324	17.1
353.24808	36.1
364.70911	2.8
371.25845	44.0
389.26819	42.4
390.27707	2.9
392.98627	3.1
445.29425	57.5
463.30527	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07282	2.8
53.03944	7.8
55.05513	32.8
57.03427	10.5
57.07069	11.3
59.04982	3.6
64.92229	2.6
65.03930	4.9
67.05509	91.9
69.07074	27.8
71.00514	6.1
71.04989	4.7
71.08627	9.5
77.03925	3.5
79.05499	66.9
81.03419	4.0
81.07064	100.0
83.04971	8.2
83.08626	16.9
83.73077	2.8
85.06532	7.2
85.10199	2.7
87.00442	2.6
87.04472	3.7
89.06038	13.8
91.05488	79.7
93.06493	3.6
93.07057	71.0
95.04974	9.9
95.08608	48.6
97.06525	10.8
97.10157	6.1
99.08089	4.8
103.05479	2.5
103.40498	2.3
105.07040	62.8
107.05003	6.3
107.08604	38.9
109.06522	9.7
109.10149	15.7
111.08086	6.1
115.05460	3.1
117.07034	36.6
119.08596	39.9
121.06490	10.3
121.10154	25.8
123.08098	4.4
123.11742	3.8
125.05968	2.6
128.06163	3.3
129.07024	22.4
131.08583	56.5
133.08601	8.0
133.10138	26.3
135.08041	6.4
135.11696	8.8
137.09631	3.0
141.06999	10.7
142.07828	3.1
143.08588	20.7
145.10133	30.5
147.08012	6.3
147.11687	8.1
149.09613	5.9
149.13249	16.4
155.08566	10.0
157.10136	14.4
159.11717	21.0
161.09616	4.3
167.08620	4.4
169.10083	9.4
171.11687	10.9
173.09624	3.3
173.13303	4.6
177.12772	7.9
179.14310	2.7
181.10115	5.0
183.11708	7.8
185.13342	6.1
187.14731	4.2
195.11748	5.2
195.13773	6.2
197.13272	8.7
199.14908	3.9
209.13229	3.6
211.14850	6.2
233.15335	4.8
237.16380	3.2
259.17050	4.3
261.18527	4.0
273.18466	4.2
281.81268	2.6
325.25314	7.6
335.23679	10.7
343.26428	18.5
353.24814	37.1
371.25784	39.5
379.28265	2.6
389.26874	40.7
427.28442	3.6
445.29529	63.3
446.29642	3.3
463.30609	58.7
464.31055	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	463.124
Annotation	6-Methoxyluteolin 7-rhamnoside
Peak:m/z	Relative Intensity
50.93548	1.4
55.01853	2.0
55.05501	2.7
57.03418	4.9
57.07062	4.6
67.05509	10.3
69.03446	3.7
69.07092	3.7
70.06591	2.3
71.04996	25.0
71.50937	2.6
72.82076	1.6
79.05487	4.9
81.03404	3.0
81.07056	11.2
83.04959	1.8
85.02436	2.3
85.02910	29.1
85.06547	34.1
86.09686	3.4
91.05457	2.7
93.03388	1.8
93.07001	2.9
95.04978	3.6
95.08626	12.3
99.08060	1.8
105.07016	5.5
107.04964	34.5
107.08580	4.5
108.05301	13.9
109.02868	2.8
109.05617	2.7
109.06523	2.5
109.10149	7.6
119.08551	1.7
121.10131	3.8
123.08057	4.4
129.05469	5.7
133.10115	3.5
135.08017	4.0
135.11699	1.7
137.05977	2.9
138.93996	1.7
139.03914	2.8
145.10091	2.4
147.04427	1.7
147.08072	1.7
147.11748	2.1
149.13261	3.5
151.03940	3.0
151.07550	56.9
153.01862	12.5
161.09627	1.7
176.08266	2.2
177.09134	6.8
187.07730	1.7
191.10654	22.1
193.04994	9.4
194.05298	6.1
195.05550	3.6
205.12157	9.0
229.04800	1.7
257.04343	2.4
258.05185	5.1
273.03986	1.9
274.04639	2.8
285.03970	3.9
286.04752	13.7
299.09143	14.6
300.09546	18.0
301.06961	25.4
301.09766	24.7
302.04214	11.4
303.19327	2.1
317.06573	100.0
331.08047	2.8
346.35129	1.7
427.31894	2.1
445.33270	2.9
463.12375	7.4
469.29416	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1236
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
59.04965	0.3
60.39705	0.3
67.05501	0.4
71.04993	0.3
85.06557	0.7
95.08631	0.4
107.08574	0.3
109.10237	0.4
129.60875	0.4
147.04407	0.5
151.07530	2.0
153.01848	2.0
177.01857	0.4
191.03477	0.4
191.10684	0.7
219.02869	0.9
229.04921	0.9
257.04568	0.4
258.05258	14.9
259.05533	0.5
273.94595	0.3
285.04080	0.7
286.04733	37.9
287.05121	0.7
289.03461	0.7
301.07077	100.0
302.04282	0.7
302.07361	3.0
313.03369	2.7
321.03928	0.8
329.02902	2.5
330.03668	1.0
331.04315	0.4
339.04822	0.4
341.02859	0.5
345.02539	0.4
359.03989	11.8
360.04590	0.4
367.04367	0.6
391.04477	0.4
401.04807	1.0
409.05560	5.1
410.05972	0.4
427.06610	1.6
427.15521	0.4
445.07712	0.5
463.07809	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1237
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
52.92252	0.1
56.11839	0.1
57.03436	0.1
61.83396	0.2
67.01860	0.2
67.05483	0.1
69.03417	0.3
69.07030	0.2
69.67066	0.9
70.99532	0.1
75.14822	0.1
76.08935	0.1
79.05435	0.2
81.03384	0.4
81.07011	0.5
85.02895	0.3
91.05453	0.3
93.07010	0.4
95.04932	0.2
95.08584	0.4
98.20757	0.3
99.04404	0.2
99.08125	0.1
105.06980	0.3
107.08555	0.4
109.02876	0.2
109.10143	0.2
119.08573	0.2
121.06489	0.2
121.10109	0.2
123.11641	0.2
124.01568	0.5
125.09570	0.1
127.03840	0.2
130.20218	0.1
131.08536	0.2
135.04436	0.7
135.11668	0.2
136.05200	0.2
137.02286	0.2
141.05373	0.2
151.07492	0.5
161.02287	0.4
165.09074	0.6
166.09515	0.2
167.03407	2.8
184.05165	0.2
185.04488	0.2
203.03282	0.4
212.04700	0.3
213.05423	0.5
224.40910	0.2
229.04895	0.3
230.05669	0.2
240.03966	0.1
241.04921	0.3
258.05252	9.9
286.04709	5.5
300.06186	0.2
301.07068	100.0
302.07394	2.6
331.08264	0.2
433.90891	0.2
463.12372	19.5
464.12823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
53.93392	1.3
69.03438	2.0
69.30110	10.7
69.30524	2.6
70.06599	1.9
72.08132	2.1
72.09414	1.4
83.82822	1.4
85.02918	6.2
86.06081	3.0
87.04464	3.2
89.06038	100.0
91.05455	1.7
93.07040	2.8
97.02863	1.9
99.04421	1.7
105.37604	1.5
107.07085	3.7
121.06503	22.1
129.41827	1.5
133.08612	44.6
138.05525	2.5
139.03874	2.9
151.62572	1.5
153.01840	5.5
177.05450	3.9
177.11252	19.7
192.13878	2.3
195.12350	4.6
205.31923	1.6
208.42514	1.7
221.13828	1.9
239.14960	5.0
242.58339	1.7
260.09259	2.2
278.10153	2.3
283.17535	94.6
290.10394	2.4
312.19586	4.0
330.20758	1.8
389.52390	1.7
454.24564	1.5
462.13791	1.8
462.20901	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	463.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29775	0.6
55.01865	0.7
55.05500	1.2
61.02933	1.3
67.01853	1.0
68.99784	2.0
69.03434	0.9
70.46956	1.4
70.47323	1.1
81.03420	1.2
87.04531	0.7
95.08581	1.0
102.68303	0.7
109.02887	2.6
111.00816	0.8
119.47915	0.6
121.06451	0.8
127.03947	0.7
137.02335	0.9
137.06013	0.9
143.04941	0.7
149.02301	1.0
151.03922	0.9
151.07547	2.1
153.01837	15.1
163.03978	1.2
165.01872	2.0
173.02194	0.8
177.01775	0.7
179.03339	1.3
187.03931	1.5
191.03400	3.3
199.03987	0.8
201.05537	1.7
203.03351	1.1
205.01360	1.7
207.02898	0.9
213.05511	0.9
215.03343	1.3
217.05034	1.3
219.02896	8.2
223.02385	1.2
227.03468	1.7
228.04037	1.1
229.05011	2.8
237.05394	0.8
241.05118	0.7
243.02837	0.8
245.04517	2.1
247.02304	1.1
253.05110	0.7
255.02838	2.1
255.06540	0.9
257.04459	2.5
259.02432	2.6
261.04089	0.7
265.04926	1.2
269.04535	1.5
271.02399	2.9
273.04022	1.1
274.04846	1.1
275.05566	2.1
283.02448	1.5
283.05670	1.2
284.03085	1.5
285.03891	5.1
287.05194	0.8
289.03421	4.2
293.04565	2.2
297.04010	1.4
299.01849	1.8
301.03510	1.8
301.06851	0.8
302.04279	4.7
303.04929	0.7
310.04581	0.9
311.05426	2.0
312.02689	3.7
313.03430	25.2
313.07065	1.2
314.03967	1.3
316.02213	0.8
317.02933	4.5
319.04584	1.2
321.04016	5.0
324.80228	0.7
325.03372	0.7
327.05032	0.9
329.02948	21.2
330.03702	9.0
331.04654	3.9
335.05771	0.8
337.03607	1.0
339.04944	2.7
341.02905	4.7
343.04419	1.5
345.02438	6.9
349.03397	2.1
355.04416	1.2
357.02219	0.9
357.06180	1.3
359.03979	100.0
360.04379	3.6
363.04907	2.1
366.03711	1.3
367.04504	5.6
369.02341	1.7
381.06192	0.9
383.03867	1.5
385.05481	5.1
387.19196	0.7
401.05179	7.0
409.05569	45.1
410.06076	1.9
418.40958	0.7
427.06607	15.5
445.07544	2.2
463.08664	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	462.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.05510	4.8
61.02947	0.9
65.03953	1.4
67.05508	9.2
68.05834	0.7
69.03422	3.4
69.07074	41.9
69.68479	0.9
70.06583	3.4
70.07388	0.9
71.04998	1.3
71.50369	0.9
74.06071	0.8
74.09709	1.0
79.05496	6.8
81.03421	2.2
81.07061	19.3
83.04998	2.1
83.08617	1.7
84.08152	1.4
85.02912	4.4
85.06541	2.7
86.09650	0.8
87.00835	1.2
91.05486	4.1
93.07051	10.7
93.97604	0.9
95.04978	3.0
95.08611	48.6
96.08907	1.2
97.02880	1.8
97.06547	0.9
97.10181	0.9
99.04453	1.1
105.01865	2.4
105.07041	9.7
107.08604	8.0
109.02863	1.6
109.06489	1.9
109.10162	8.1
110.10493	1.2
111.04424	1.2
111.48683	0.8
119.08589	20.8
120.08105	0.9
121.06477	1.0
121.10152	21.5
122.10489	1.0
123.08086	2.3
125.09657	5.0
127.03888	2.9
131.08559	0.8
133.10155	4.0
135.11679	2.7
137.05994	1.4
137.09608	2.0
137.13197	1.1
143.08662	0.8
143.43903	0.8
145.10127	1.7
147.04494	1.0
147.11667	1.0
149.09604	1.2
151.07556	7.3
151.14886	2.2
152.07889	3.1
153.01799	1.5
159.11684	1.1
161.13263	35.5
163.11235	1.2
165.09155	8.8
166.09496	3.4
177.09122	2.4
179.14320	100.0
180.14697	1.1
191.10632	3.9
192.10986	1.9
197.11739	1.6
205.12227	2.6
209.01822	0.9
231.05338	1.0
249.06119	1.1
287.16669	1.4
323.18683	1.9
427.19553	2.4
462.28534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55890	0.8
52.11951	0.8
53.03947	1.6
55.01861	1.0
55.05505	6.5
55.34238	0.9
65.03918	0.9
67.05502	8.7
69.03426	2.3
69.07071	41.8
71.05004	1.9
71.50304	1.0
71.50716	1.5
79.05489	5.3
81.03420	2.1
81.07058	17.6
83.04980	1.9
83.08631	0.9
85.02909	4.1
85.06541	1.6
87.00871	1.2
91.05487	3.7
93.07042	8.7
95.04975	3.7
95.08612	50.7
97.02893	1.4
97.06542	2.4
99.08073	1.1
105.01854	1.5
105.07046	11.0
107.08596	9.8
109.02861	1.5
109.06544	2.2
109.10155	7.5
117.07040	1.0
119.08588	17.8
121.06487	1.4
121.10147	18.5
123.08042	3.4
125.09633	3.4
127.03929	2.8
131.08539	1.5
133.10146	4.5
135.11722	3.3
137.06009	1.4
145.10143	1.9
149.13315	0.9
151.06508	1.2
151.07512	6.1
151.14842	1.7
152.07851	2.7
154.08595	0.9
155.08539	1.0
159.11684	1.3
161.13260	39.2
162.13713	1.2
163.11183	0.8
165.09129	1.7
173.09685	1.0
176.73276	0.8
177.09138	1.9
178.09508	1.0
179.14319	100.0
191.10655	2.5
192.11011	1.1
215.10652	2.3
281.51718	0.9
323.18561	1.4
409.18408	1.6
427.19717	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44997	5.9
55.05523	28.9
55.54681	5.9
57.07073	56.7
59.04999	9.0
67.05484	15.4
68.78498	5.3
69.07069	47.5
71.08636	33.8
71.51643	6.4
79.05490	9.6
81.07053	29.5
83.08617	28.1
85.10161	15.6
91.05470	23.4
93.07040	20.8
95.08603	29.2
97.10146	8.7
105.07021	10.6
107.08577	25.8
109.10144	23.4
119.08559	28.0
121.06493	12.3
121.10148	20.0
122.06794	6.2
123.08080	8.5
123.11681	8.0
131.08574	67.4
133.10124	25.0
135.08054	20.4
135.11652	8.3
137.05971	11.6
137.09622	54.0
145.10054	7.9
149.09619	54.8
149.13287	7.6
151.07538	12.5
153.05417	6.8
159.07950	8.2
159.11684	15.2
161.09578	11.4
163.07561	13.8
165.09186	38.1
173.13220	7.1
177.09116	100.0
179.10655	11.0
191.10625	14.1
191.14319	18.4
233.15326	9.3
248.36899	7.1
291.23111	7.4
303.23306	8.2
333.90756	6.2
373.30820	9.1
383.36255	9.9
387.36264	15.4
401.37784	7.0
411.35660	7.1
429.37317	63.8
461.40320	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	461.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09286	1.3
52.06889	1.0
53.03940	1.6
54.61865	0.9
55.01867	2.1
55.05511	9.6
55.83630	1.1
57.03419	1.7
57.07076	2.9
59.04997	3.2
67.05512	14.5
69.03431	8.9
69.07070	26.0
70.06586	3.0
71.04993	1.6
71.50986	1.5
71.51373	1.6
79.05501	8.7
81.03403	1.9
81.07064	25.2
83.01331	2.3
83.04969	4.2
83.08611	4.9
84.08142	1.3
85.02915	2.0
85.06561	9.7
89.06045	1.2
91.05473	11.1
93.07051	12.8
95.04966	6.1
95.08613	19.2
97.06509	2.9
97.10162	1.9
99.04444	1.8
99.07468	1.1
99.08086	5.3
100.11216	1.3
104.59962	1.1
105.07042	9.6
107.04971	2.6
107.08591	11.0
109.02903	1.2
109.06498	3.9
109.10161	15.4
111.04447	5.0
111.08107	2.2
111.11709	4.8
115.05490	1.3
116.06187	1.3
117.06992	2.1
119.04941	1.6
119.08561	4.8
121.06499	4.3
121.10139	11.8
123.04432	1.8
123.08064	10.1
123.11713	5.6
125.09637	11.7
127.03923	1.5
129.07053	1.4
131.08588	5.7
133.06612	1.0
133.10182	7.1
135.07172	1.4
135.08049	8.6
135.11676	4.9
137.05923	2.0
137.09601	4.9
139.03870	3.8
139.11186	4.8
143.08537	1.2
145.10129	5.6
147.11679	4.1
149.05983	1.4
149.09625	7.4
149.13235	3.2
151.07552	100.0
152.07912	2.4
153.01855	3.2
153.05373	1.0
153.09181	1.1
153.12746	2.0
155.08524	1.8
155.10651	5.5
157.10109	2.7
157.12311	1.6
159.08063	7.6
159.11664	3.9
161.09656	2.7
161.13284	2.1
162.06743	3.8
163.11191	6.5
163.14774	1.7
165.09129	19.6
165.12837	1.3
171.11656	1.7
173.09639	3.5
173.13185	1.2
175.07579	1.7
175.11174	2.9
176.08267	5.5
177.09117	77.8
177.16374	1.2
179.07043	5.1
185.09650	1.4
185.13196	1.5
187.11186	2.1
188.08325	3.4
189.09076	7.8
189.12834	2.6
190.09894	2.7
191.10680	53.5
193.08575	1.2
199.11188	6.2
201.09076	1.5
202.09814	1.3
203.10695	9.7
203.17908	1.3
205.12245	32.9
207.17473	2.1
215.10660	4.6
215.14128	1.3
217.12206	5.6
219.13814	1.5
221.11723	9.1
229.12213	2.9
231.13803	5.2
251.20027	1.7
255.13771	1.5
259.16898	1.6
269.15250	1.4
271.17151	5.3
283.16943	3.0
285.18481	2.2
293.24719	1.3
327.22845	1.2
407.29388	1.3
425.30820	6.1
443.32104	8.5
461.27594	9.3
463.12592	1.2
489.34558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21388	3.2
53.03952	7.3
55.01865	10.1
55.05514	36.2
57.03445	8.7
65.03967	4.3
67.05511	84.4
69.03432	4.8
69.07084	33.9
70.56667	10.6
71.04990	5.1
74.09728	3.9
78.81661	3.4
79.05497	63.4
79.63491	3.3
80.14747	3.4
81.03439	17.0
81.07059	69.3
83.04996	7.1
83.08635	21.8
91.05490	67.6
93.07056	66.2
95.04952	18.6
95.08612	46.0
97.06547	8.7
97.10184	15.0
103.05468	5.9
105.06388	6.0
105.07042	54.3
107.04959	16.3
107.08602	32.2
109.06544	9.0
109.10156	15.7
110.49765	3.8
114.87711	3.8
115.05504	6.8
117.07027	52.1
119.04951	7.1
119.08585	34.8
121.06513	14.3
121.10159	19.6
123.08057	7.9
123.11734	4.7
125.09623	9.5
128.06247	13.2
129.07043	47.9
131.04947	4.2
131.08589	55.4
132.62070	3.4
133.06488	6.9
133.10153	20.2
135.08076	8.1
135.11719	12.1
137.09627	5.3
139.04065	4.2
139.11154	6.1
141.06960	24.6
142.07744	5.0
143.08565	45.5
145.06523	15.3
145.10117	28.6
147.08075	12.7
147.11720	12.4
149.09630	10.1
149.13254	7.4
153.07065	4.4
154.07825	3.7
155.08595	28.4
157.10101	22.2
159.08057	8.3
159.11760	17.2
161.09641	8.8
163.11192	6.7
165.09135	7.3
167.08556	9.2
169.10115	19.0
171.08112	4.3
171.11646	17.3
173.09607	7.7
173.13286	6.3
175.11253	4.2
177.12796	7.1
179.08595	9.0
181.10155	14.0
183.11681	13.7
185.09587	4.4
185.13266	9.4
187.11145	5.1
187.14877	6.6
193.10013	4.9
193.12376	5.3
195.11694	14.5
197.09766	4.9
197.13306	11.0
199.14896	6.5
207.11821	4.1
209.13274	8.6
211.11166	4.9
211.14940	7.5
212.23047	4.4
215.14447	8.0
217.15912	8.7
221.13242	12.3
223.14906	5.8
225.12628	5.5
233.13235	3.9
239.14346	5.6
253.15839	4.9
257.15271	7.8
271.16815	6.7
281.26703	3.5
302.48990	4.8
323.23712	7.8
333.22086	13.7
341.24750	12.7
351.23251	35.2
369.24280	43.7
372.57071	4.3
387.25424	25.2
443.27972	62.2
461.28955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.8
53.03955	9.5
55.01871	4.5
55.05265	2.4
55.05516	31.6
56.63419	1.9
57.03444	12.1
57.07071	1.9
57.26197	1.9
59.98567	1.6
65.03929	5.9
67.05511	84.7
69.03433	3.1
69.07075	21.2
71.01361	4.1
71.05000	5.1
71.51048	1.9
71.76982	2.3
73.06583	1.9
77.03927	2.5
79.05500	100.0
81.03438	18.5
81.07066	70.6
83.04994	15.6
83.08645	10.8
85.02920	2.9
85.06561	4.8
87.85406	1.6
91.04910	2.4
91.05491	70.8
93.07054	87.9
95.04984	21.9
95.08610	34.0
97.06532	11.3
97.10179	12.2
102.48606	1.9
105.04506	3.6
105.07042	40.8
105.07700	1.6
107.04953	6.9
107.08610	41.0
109.06528	8.3
109.10166	15.2
111.08084	3.8
117.07019	16.0
119.08592	24.7
121.06504	7.9
121.10162	10.2
123.08080	5.6
125.09677	2.0
126.45330	1.8
127.07594	4.0
128.06181	3.5
129.07045	13.2
131.08588	7.2
133.06459	1.9
133.10143	12.2
135.08081	2.5
135.11707	38.7
137.09528	2.1
143.08611	9.0
145.06425	2.5
145.10147	20.1
147.08104	3.7
147.11708	26.6
149.13329	2.4
159.11694	4.1
161.09628	5.1
161.13280	9.4
163.11194	6.9
164.79433	1.7
171.11731	21.4
175.11292	1.9
181.12218	7.8
184.49651	1.7
189.12790	9.9
207.13829	25.9
225.14883	4.9
283.13879	2.1
313.50449	2.1
334.31076	2.6
351.23190	3.3
369.24350	5.2
443.27869	5.8
443.36133	2.1
461.28946	61.1
461.37140	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	461.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56244	1.9
53.03937	8.7
55.01865	9.8
55.05519	44.3
57.03445	14.5
57.07069	2.5
59.04999	2.4
65.03937	6.3
67.05508	87.1
69.03424	5.1
69.07072	35.5
70.06554	2.6
70.68520	5.7
71.04979	8.9
79.05498	72.0
81.03414	7.2
81.06588	4.6
81.07065	82.9
83.04985	9.5
83.08634	19.2
85.06533	8.7
91.05487	100.0
93.06482	4.6
93.07053	78.1
95.04967	16.3
95.08059	3.8
95.08614	47.1
97.06547	12.6
97.10175	11.4
99.08083	4.3
103.05493	4.9
105.04508	4.7
105.07040	83.9
107.04961	20.5
107.08605	41.9
109.06517	14.8
109.10165	26.5
111.04453	2.2
111.08092	7.5
113.00021	19.7
113.06028	2.5
115.05466	10.0
116.06291	2.4
117.07025	61.8
117.07866	3.3
119.04940	5.1
119.08586	55.7
121.06509	22.8
121.10136	23.0
123.08063	12.8
123.11706	3.9
125.06017	2.7
125.09642	10.8
127.07544	2.2
128.06230	15.8
129.07024	59.7
131.04906	7.1
131.08575	80.6
133.06454	14.6
133.10149	27.9
135.08025	13.1
135.11674	10.6
137.05936	3.5
137.09631	9.1
139.03853	2.9
139.11183	2.6
141.06990	17.3
142.07794	7.0
143.08578	47.5
144.09331	2.2
145.06496	21.3
145.10135	33.6
147.08057	15.1
147.11708	11.1
149.09613	12.6
149.13245	3.0
151.07539	17.4
151.11137	3.3
154.07771	3.3
155.08569	35.5
156.09296	3.6
157.06522	6.6
157.10143	34.3
158.07162	2.7
159.08090	11.6
159.11687	14.2
161.09645	8.2
161.13286	4.8
163.07466	2.2
163.11203	5.8
165.06995	3.7
165.09125	7.5
165.12898	2.9
166.07828	4.3
167.07169	2.8
167.08496	10.8
168.09392	5.0
169.02614	7.0
169.10132	23.6
171.08057	6.9
171.11659	15.5
173.09586	5.4
173.13284	8.5
175.09811	3.5
175.11220	7.5
175.14830	2.3
177.09067	3.2
177.12752	5.1
179.08577	5.3
181.10085	12.9
182.10941	2.5
183.11703	16.6
185.09647	5.4
185.13297	12.7
187.11177	4.6
187.14804	4.5
189.11240	6.5
191.10709	6.0
191.14383	2.2
193.10141	6.2
195.11720	14.6
197.09615	4.8
197.13229	12.2
199.11218	4.2
199.14774	6.1
201.12744	4.6
201.16457	3.6
203.14342	3.7
207.11765	6.4
207.13741	3.8
209.13234	8.2
211.11159	5.2
211.14818	6.7
213.12831	10.4
213.16440	4.3
215.14331	7.7
217.15929	6.4
221.13304	8.8
223.14891	8.5
225.12727	6.8
227.12523	3.2
227.14435	5.9
229.15999	3.2
231.13799	3.0
235.14935	6.1
235.17270	2.4
237.16440	2.9
239.14288	5.8
241.15919	5.4
245.15442	5.9
253.15991	6.2
257.15326	8.6
257.19055	2.5
259.17117	3.2
269.15451	2.9
271.17078	12.0
275.16565	2.1
275.20148	11.7
285.18457	2.6
315.21082	2.3
323.23706	9.8
333.22116	14.0
341.24783	21.3
349.23782	11.2
351.15918	2.2
351.23184	46.9
359.25931	3.9
369.24258	90.1
387.25351	55.5
415.28473	3.0
417.26736	3.5
425.26755	8.5
443.27939	83.8
444.28275	3.8
461.28992	78.9
462.28976	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
51.62403	0.6
53.00299	0.8
55.01875	0.7
55.05522	1.0
56.05027	0.9
59.04988	1.7
60.29227	0.5
65.03908	1.4
67.05515	0.8
68.99774	0.6
69.03417	1.2
69.05801	0.6
69.06139	0.7
69.43958	3.8
70.06603	4.0
72.08156	9.1
79.01855	2.1
79.05479	0.8
84.04490	0.6
85.02892	1.6
86.09712	5.0
89.03917	9.6
89.10780	1.3
91.05466	4.3
93.07078	0.6
95.04950	1.6
97.02894	1.3
98.06032	2.7
98.20808	1.2
100.73920	0.6
105.03399	0.9
105.07008	0.9
106.04202	0.8
107.04938	1.6
109.02892	1.4
111.04437	1.0
115.08700	3.7
117.03384	31.3
117.05463	1.3
119.04941	5.5
121.02841	1.0
121.06509	1.4
123.04494	1.4
124.07568	3.8
125.02307	1.1
127.08698	3.1
131.04950	0.9
133.02850	8.5
133.05203	0.6
134.03619	2.0
135.04393	1.6
137.05981	6.5
139.03908	39.0
140.04247	17.0
141.04375	9.4
143.03433	2.8
145.02852	72.4
147.04433	5.3
149.04794	0.9
149.05978	14.7
150.06686	1.2
151.03920	2.5
151.07489	1.1
152.04309	1.7
153.01846	34.2
153.02971	2.8
153.04317	1.2
154.02177	15.5
155.02289	12.0
161.05980	2.3
162.06754	1.4
163.03917	3.4
164.04214	1.0
165.05574	1.1
169.05008	1.4
170.05307	0.9
171.05534	0.6
173.05949	1.0
175.03903	5.3
176.07111	1.0
177.05479	100.0
178.05841	1.5
179.07027	5.4
179.31119	0.6
181.04958	0.9
181.49937	0.6
189.05510	0.7
189.07013	0.8
192.06535	4.4
194.06715	2.1
201.05501	11.7
201.12347	0.8
204.06650	1.4
205.04930	0.8
205.06618	0.8
206.05344	1.0
207.05450	0.6
213.05453	0.8
219.02946	1.0
219.08241	0.7
231.06715	0.9
233.06004	1.0
246.11292	3.7
248.12801	0.8
261.03867	0.8
261.14484	0.7
263.04480	0.7
263.07269	0.6
263.13965	6.6
264.14780	3.4
265.08572	0.9
265.15533	3.1
277.08502	1.2
281.25870	0.6
285.13120	2.6
289.07184	0.8
293.08066	0.8
300.11084	0.8
305.08243	3.1
323.06503	1.5
325.10742	6.1
337.10760	7.7
341.10260	1.4
355.11707	9.4
373.12903	2.6
413.20712	11.2
413.25638	1.2
414.21347	0.8
425.20740	1.5
443.21747	3.7
461.16336	1.0
461.23520	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	461.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
51.62403	0.6
53.00299	0.8
55.01875	0.7
55.05522	1.0
56.05027	0.9
59.04988	1.7
60.29227	0.5
65.03908	1.4
67.05515	0.8
68.99774	0.6
69.03417	1.2
69.05801	0.6
69.06139	0.7
69.43958	3.8
70.06603	4.0
72.08156	9.1
79.01855	2.1
79.05479	0.8
84.04490	0.6
85.02892	1.6
86.09712	5.0
89.03917	9.6
89.10780	1.3
91.05466	4.3
93.07078	0.6
95.04950	1.6
97.02894	1.3
98.06032	2.7
98.20808	1.2
100.73920	0.6
105.03399	0.9
105.07008	0.9
106.04202	0.8
107.04938	1.6
109.02892	1.4
111.04437	1.0
115.08700	3.7
117.03384	31.3
117.05463	1.3
119.04941	5.5
121.02841	1.0
121.06509	1.4
123.04494	1.4
124.07568	3.8
125.02307	1.1
127.08698	3.1
131.04950	0.9
133.02850	8.5
133.05203	0.6
134.03619	2.0
135.04393	1.6
137.05981	6.5
139.03908	39.0
140.04247	17.0
141.04375	9.4
143.03433	2.8
145.02852	72.4
147.04433	5.3
149.04794	0.9
149.05978	14.7
150.06686	1.2
151.03920	2.5
151.07489	1.1
152.04309	1.7
153.01846	34.2
153.02971	2.8
153.04317	1.2
154.02177	15.5
155.02289	12.0
161.05980	2.3
162.06754	1.4
163.03917	3.4
164.04214	1.0
165.05574	1.1
169.05008	1.4
170.05307	0.9
171.05534	0.6
173.05949	1.0
175.03903	5.3
176.07111	1.0
177.05479	100.0
178.05841	1.5
179.07027	5.4
179.31119	0.6
181.04958	0.9
181.49937	0.6
189.05510	0.7
189.07013	0.8
192.06535	4.4
194.06715	2.1
201.05501	11.7
201.12347	0.8
204.06650	1.4
205.04930	0.8
205.06618	0.8
206.05344	1.0
207.05450	0.6
213.05453	0.8
219.02946	1.0
219.08241	0.7
231.06715	0.9
233.06004	1.0
246.11292	3.7
248.12801	0.8
261.03867	0.8
261.14484	0.7
263.04480	0.7
263.07269	0.6
263.13965	6.6
264.14780	3.4
265.08572	0.9
265.15533	3.1
277.08502	1.2
281.25870	0.6
285.13120	2.6
289.07184	0.8
293.08066	0.8
300.11084	0.8
305.08243	3.1
323.06503	1.5
325.10742	6.1
337.10760	7.7
341.10260	1.4
355.11707	9.4
373.12903	2.6
413.20712	11.2
413.25638	1.2
414.21347	0.8
425.20740	1.5
443.21747	3.7
461.16336	1.0
461.23520	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	461.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
58.54677	0.6
66.32886	0.7
67.05505	0.8
69.03431	1.4
70.05808	1.6
70.06206	1.3
70.06601	1.0
72.08159	1.4
79.05504	1.9
81.03411	1.3
81.07066	1.6
83.04964	0.7
84.08132	0.6
85.02910	2.0
89.17381	0.7
91.05493	1.0
92.27842	0.8
93.07021	0.8
93.46701	0.7
95.04967	1.0
95.08597	1.9
97.02906	1.4
97.06546	0.8
98.21432	0.7
105.07033	1.1
107.04960	100.0
107.08604	1.4
108.05296	1.1
109.02899	1.0
119.08564	1.3
121.06522	0.9
121.10164	0.9
127.03864	1.0
139.03909	1.1
147.04395	0.8
151.03970	0.7
151.07536	1.9
153.01868	3.0
159.11714	0.9
165.01889	1.7
184.03305	0.7
189.05516	3.6
193.05023	0.8
202.06517	0.7
203.06996	1.6
205.04964	17.6
206.05804	1.1
217.04942	4.1
227.07164	0.7
230.05853	1.1
231.02922	0.9
231.06573	5.8
234.05348	1.1
235.06024	13.9
244.07463	0.8
245.08057	3.2
258.05344	0.9
259.06073	2.7
271.06036	2.3
282.05298	0.9
283.06165	0.8
299.09128	2.3
301.07129	1.3
311.09155	40.3
312.09662	1.2
312.23889	0.7
323.09122	1.7
337.10623	3.1
341.10208	34.2
342.10507	1.0
351.12241	2.9
365.10217	22.7
365.14795	1.2
377.10345	4.9
379.11673	1.4
389.10190	6.2
395.11200	12.3
407.11285	9.6
425.12296	9.9
429.91745	0.8
443.13303	6.3
461.14554	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1446
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.02382	0.2
53.03951	1.2
55.01870	0.7
55.05501	0.9
57.03426	0.3
60.23527	0.2
61.02939	0.3
67.05505	0.6
68.99802	0.4
69.03438	1.6
69.07078	1.4
69.60611	1.3
71.05000	0.6
73.02897	0.2
77.03918	0.2
78.86851	0.2
79.05482	1.2
81.03429	1.6
81.07062	1.4
83.04994	0.3
83.08645	0.2
85.02911	2.5
85.06538	0.5
87.00851	1.0
91.05499	0.4
93.07037	0.4
95.05003	0.6
95.08614	1.3
97.02884	1.0
97.06526	0.3
97.10159	0.4
99.04478	0.5
99.08088	0.7
105.01860	0.7
105.04510	0.5
105.07045	0.4
107.04958	95.2
107.08588	0.9
108.05309	1.0
109.02885	1.9
109.10143	0.6
113.09717	0.3
121.10156	0.9
123.11684	0.3
125.06004	0.4
125.09605	0.3
127.03922	2.3
135.11659	0.5
137.05984	0.4
137.13289	0.4
145.04950	0.8
147.04384	0.3
147.11671	0.2
151.03935	0.3
151.07529	0.9
153.01822	0.9
153.12784	0.5
159.02901	0.5
175.37462	0.2
177.16380	1.6
179.03387	0.3
191.10794	0.3
192.04111	1.1
193.04970	45.4
194.05286	1.2
195.17456	1.6
202.06885	0.2
213.03966	0.2
213.18524	1.6
231.04938	0.3
299.09143	100.0
300.09521	2.9
415.52026	0.2
461.14288	0.4
461.24014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29073	0.6
53.03934	1.8
55.01862	0.8
55.05267	0.7
55.05516	8.8
56.05041	4.3
56.54815	0.5
57.03426	2.0
57.07059	2.2
58.02960	1.5
60.04519	1.4
61.02922	1.7
61.55201	0.6
65.03900	0.6
67.05192	0.8
67.05513	12.6
68.05034	1.5
69.03433	4.4
69.07069	7.4
70.44937	1.9
71.05022	0.9
71.08632	1.5
72.04527	1.2
73.02905	0.7
79.05499	9.4
80.05011	2.4
81.03417	2.8
81.07062	12.2
82.06590	7.3
83.08607	5.1
84.08135	0.9
85.02917	8.8
86.06095	1.4
91.05486	6.5
93.07049	6.0
94.06584	6.1
95.04967	1.2
95.07377	1.4
95.08616	9.0
96.08135	4.2
97.02921	3.0
97.06522	0.6
97.10177	2.1
98.06013	0.8
100.07615	1.9
104.21213	0.6
105.07018	3.5
106.06556	0.9
107.08636	4.1
108.08119	1.7
109.02873	1.2
109.10155	3.6
111.11692	0.8
112.07583	0.9
119.08574	2.9
121.06512	0.7
121.10140	3.5
122.09689	1.2
123.11699	1.3
127.03898	1.6
133.10132	2.3
135.11684	1.7
136.11247	0.7
139.03915	1.1
140.04289	0.9
145.04950	1.3
147.11674	1.4
152.05537	0.7
153.01747	0.7
155.11617	0.6
165.09155	1.1
182.19170	0.6
219.21057	0.9
245.22701	0.8
250.25291	5.5
260.23657	0.7
262.25323	28.1
264.26804	3.6
280.26376	100.0
281.26663	1.4
298.27408	3.1
322.27402	1.0
394.29645	0.8
412.30621	1.6
424.30655	1.9
442.15991	0.7
442.31650	7.0
460.27350	0.8
460.32693	4.5
489.65573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54449	0.6
53.03934	1.7
55.01854	0.7
55.05515	8.2
56.05045	4.0
57.03422	1.6
57.07062	2.3
58.02950	1.2
60.04520	1.4
61.02916	2.2
65.03944	0.7
67.05177	1.2
67.05509	14.2
68.05022	2.2
69.03439	5.4
69.06781	0.7
69.07070	7.4
69.86082	3.5
72.04520	0.9
73.02890	1.1
76.36570	0.7
79.05489	8.1
80.05011	3.0
81.03406	2.9
81.07061	12.9
82.06578	5.6
83.04957	1.1
83.08645	4.5
84.08145	0.7
85.02910	9.5
86.06076	1.2
91.05476	8.1
93.05819	0.8
93.07050	7.7
94.06577	7.2
95.04977	1.8
95.07340	0.8
95.08609	10.9
96.08137	4.6
97.02876	3.5
97.10168	1.9
98.06054	1.4
100.07631	1.4
105.07027	3.9
107.08588	3.5
108.08134	1.7
109.02891	0.8
109.10188	4.3
113.00006	0.7
117.07051	0.7
119.08559	3.1
121.06522	0.7
121.10152	2.5
122.09667	1.1
123.08101	0.8
123.11724	0.9
125.09649	1.0
127.03931	1.8
131.08611	1.0
133.10139	2.6
135.11687	2.1
136.11143	0.8
137.06036	0.8
139.03940	1.3
140.04231	0.8
145.04962	1.2
153.01796	0.7
157.10120	0.8
165.09161	0.9
165.19862	0.7
191.23622	0.7
245.22612	0.8
250.25256	6.2
260.23410	1.0
262.25317	28.3
264.26901	3.6
280.26376	100.0
281.26752	2.3
298.27380	3.8
325.58508	0.9
412.30661	2.0
424.30542	2.3
442.26697	1.0
442.31815	6.6
460.27271	1.1
460.32916	3.7
461.29163	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01867	0.7
55.05511	3.3
57.03426	0.5
57.07076	0.7
59.04996	0.7
67.05509	7.4
69.03439	3.0
69.07072	3.8
70.03703	0.5
70.04082	9.5
70.06591	0.4
71.04404	0.5
71.04997	0.6
71.51619	0.5
79.01842	0.4
79.05508	3.4
81.03426	1.6
81.07062	8.3
83.04982	1.9
83.08610	1.5
85.02910	0.5
85.06541	1.7
91.05486	3.2
93.07050	3.3
95.04985	1.6
95.08617	5.1
97.06534	0.6
97.10167	1.8
99.08075	0.7
105.07045	2.7
105.22128	0.4
107.04960	1.9
107.08578	3.4
109.06512	1.0
109.09470	0.6
109.10165	8.7
111.04451	0.6
111.08082	0.6
111.11749	0.6
115.05432	0.4
117.07034	0.9
119.08596	4.8
121.06514	0.8
121.10149	1.8
121.10929	0.3
122.07289	1.7
123.04436	0.4
123.08074	1.3
123.11726	4.8
125.09635	9.5
127.03873	0.3
127.11234	0.4
129.06992	1.0
131.08554	1.9
133.06497	0.7
133.10117	1.0
135.04477	0.5
135.08064	1.0
135.11690	1.3
137.05994	0.6
137.09628	13.6
137.13243	0.8
139.03914	10.9
139.11194	0.4
140.28575	0.3
141.07018	0.5
142.07756	0.3
143.08571	0.5
143.10677	0.4
145.06487	0.9
145.10052	0.8
147.08044	0.4
147.11676	1.2
149.05914	0.4
149.09627	1.4
149.13306	0.8
151.03923	1.2
151.07550	7.5
151.11208	0.9
153.01833	2.4
153.12752	1.2
157.10197	0.4
159.08002	0.7
159.11707	0.8
161.13235	0.5
163.03911	0.8
163.11177	1.2
163.14752	0.7
165.09123	100.0
166.09441	1.2
167.06999	1.2
169.12280	1.1
171.08096	0.4
173.09659	0.7
173.13176	0.4
175.11189	0.6
175.14767	0.4
177.09093	1.1
177.12781	0.4
179.10709	0.5
179.17929	0.7
187.11096	0.4
189.08995	0.4
189.12820	0.5
191.10664	1.7
191.18011	0.6
193.12306	0.6
195.10182	0.4
203.10712	1.0
203.14445	0.4
205.12262	2.2
219.13733	0.5
227.49687	0.4
233.15343	1.4
241.46973	0.4
259.24173	0.7
277.25272	1.4
287.16281	0.4
289.25247	0.6
293.15405	0.4
295.26346	5.7
307.26407	1.0
349.21698	0.5
367.22629	1.8
385.23706	1.9
441.25995	0.4
441.34024	0.7
459.27463	4.5
459.34055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01878	11.9
55.05518	60.3
56.79772	2.4
57.03439	6.9
65.03949	5.9
67.05510	69.9
69.03416	5.9
69.07079	20.1
70.75266	7.4
71.04985	3.1
71.75698	2.4
79.05071	4.7
79.05502	63.8
81.03429	3.7
81.07067	45.4
83.04973	7.4
83.08621	30.8
84.08188	2.4
85.06557	3.2
91.05488	56.4
93.07051	34.3
95.04974	10.1
95.08607	21.5
96.22935	2.3
97.06531	4.2
97.10182	47.4
103.05451	21.9
105.03442	3.9
105.07039	44.5
107.04958	9.1
107.08587	25.8
109.06548	5.5
109.10163	24.9
112.99997	9.1
115.05465	15.4
117.07027	58.5
119.08586	28.1
121.02928	3.0
121.06486	7.0
121.10161	7.2
122.32710	2.5
123.04458	2.6
123.08081	3.5
125.09633	42.7
128.06221	13.1
129.07011	38.8
130.07811	3.6
131.04866	6.1
131.08586	45.0
133.06461	13.6
133.10138	7.4
133.74391	2.3
135.08070	13.1
135.11716	2.7
137.09633	5.6
139.02936	4.7
139.03917	43.9
141.07028	14.7
142.07793	5.1
143.08575	27.1
145.06494	15.0
145.10100	16.6
147.04344	3.1
147.08067	8.8
147.11737	3.3
149.09619	8.6
151.03893	5.1
151.07549	5.6
153.01826	9.5
153.09087	5.7
154.07782	5.2
155.08563	18.7
157.06485	7.4
157.10117	9.6
159.08112	7.8
159.11789	3.8
161.09619	2.1
163.03941	3.8
163.11214	3.8
165.09100	10.2
167.07175	2.5
167.08543	6.6
169.02698	3.6
169.10146	13.9
171.08047	4.6
171.10313	3.7
171.11644	12.4
173.09662	4.4
173.11844	3.1
173.13222	6.3
179.08664	2.7
181.10168	4.7
183.08054	4.1
183.11786	4.0
185.09657	3.1
185.13271	7.1
187.11227	3.7
187.14807	19.9
189.11206	31.0
195.11739	10.6
197.13252	17.5
199.14908	3.3
209.13281	6.0
213.12758	16.6
215.14319	100.0
221.13254	3.7
223.15047	3.2
227.12784	33.4
227.14667	3.7
231.13860	8.6
237.12810	4.0
241.12396	4.1
271.17047	8.7
273.18539	3.6
276.84576	2.7
349.21677	19.3
367.22687	38.5
385.23813	26.1
403.24799	5.9
423.25082	3.4
441.20786	2.9
441.26392	64.1
459.22208	3.7
459.27438	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2742
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
53.03936	5.5
55.01865	4.7
55.05515	16.5
57.03449	7.9
63.53954	1.2
65.03938	1.5
67.05514	20.4
69.03069	1.3
69.03421	6.0
69.07076	10.9
70.56999	2.9
71.04970	2.7
73.02924	1.3
79.05503	18.1
81.03424	16.9
81.07067	21.2
82.25430	1.7
83.04969	4.6
83.08608	5.7
85.02888	2.3
91.05486	20.4
93.07050	16.5
95.04987	11.9
95.08600	12.6
97.06534	2.7
97.10157	5.8
103.05453	2.1
105.07045	15.0
107.04939	8.6
107.08614	7.9
109.02902	3.6
109.06525	2.6
109.10201	6.8
111.04469	3.5
113.00017	3.5
115.05461	3.5
116.06235	2.0
116.48540	1.3
117.07021	11.2
119.08602	9.0
121.06499	6.0
121.10147	5.0
123.04466	1.6
123.08087	2.5
125.02341	1.6
125.09642	3.2
128.06235	8.6
129.07022	20.9
129.31125	1.5
131.08569	17.2
133.06471	4.4
133.10103	5.8
135.04401	1.6
135.08072	4.0
135.11639	3.2
137.09612	1.7
139.03918	22.8
141.06978	16.2
142.07785	5.5
143.08559	15.6
144.05742	2.4
145.06516	9.6
145.10139	10.6
147.08038	3.8
147.11716	3.2
149.09622	2.5
149.13318	1.9
151.03796	2.5
153.01852	5.6
153.07002	7.9
154.07793	8.0
155.08577	30.0
156.09375	2.4
157.06520	5.1
157.10133	15.2
159.08081	5.3
159.11710	6.4
161.06003	2.5
161.09637	2.9
163.03957	1.8
165.06955	8.2
165.09171	3.6
166.07771	5.2
167.08571	17.4
168.09277	7.0
169.06511	4.7
169.10143	20.2
170.07277	1.5
171.08095	9.8
171.11740	9.1
173.09592	4.5
173.13257	3.1
175.07564	1.8
175.11218	3.2
179.08572	9.5
180.09363	5.1
181.06499	4.3
181.10132	14.1
182.07300	4.0
182.10921	2.6
183.08121	9.3
183.11732	14.1
184.08989	1.8
185.09644	8.9
185.13231	4.5
187.07593	3.8
187.11232	2.0
191.08585	3.3
192.09418	3.0
193.10152	5.5
194.07275	1.8
194.10838	1.6
195.08061	11.9
195.09724	1.4
195.10020	1.6
195.11685	11.6
196.08864	5.5
196.12437	2.0
197.09651	10.7
197.13287	9.5
199.07544	2.1
199.11211	6.4
201.09079	3.1
205.10147	3.6
207.11748	4.3
209.09706	8.3
209.13341	7.4
210.10422	4.2
211.11200	10.7
211.14911	3.7
213.09169	3.1
213.12805	6.4
215.10692	1.8
215.14371	2.1
217.12321	1.8
219.11758	2.8
221.13283	5.7
223.11313	8.3
223.14821	4.2
224.12007	1.9
225.12732	9.2
225.16267	2.4
227.10684	4.0
227.14417	2.0
229.12259	2.6
233.13391	2.0
235.14830	3.1
237.12773	5.5
237.16486	2.2
238.13560	2.1
239.14351	5.2
241.12315	1.8
251.14301	3.6
253.15964	1.7
255.13879	2.4
257.19144	1.7
265.15479	1.6
269.15530	2.2
273.18515	3.2
307.20532	3.1
321.22186	5.7
323.20056	1.7
325.21548	4.1
331.20673	3.4
337.21603	2.6
339.23312	8.0
347.22177	2.5
349.21582	21.1
357.24323	1.7
367.22702	39.4
385.23810	14.5
403.25235	2.8
423.25424	6.3
429.26328	6.2
441.26382	100.0
442.26584	3.0
459.27435	62.0
460.27927	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	459.2742
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
53.03939	4.8
55.01867	5.2
55.05514	15.5
57.03423	7.3
57.07073	1.7
57.76127	1.5
59.19962	1.8
67.05186	2.0
67.05515	23.2
69.03410	4.4
69.07073	11.8
70.32462	1.9
71.04976	2.4
71.33141	3.6
79.05492	19.7
81.03422	19.7
81.07058	27.4
82.50758	1.8
83.04971	6.3
83.08627	8.0
91.05488	18.8
93.07050	18.6
94.19983	1.7
95.01300	2.1
95.04971	16.3
95.08612	16.4
97.02882	3.3
97.06544	3.6
97.10201	4.0
99.04483	1.6
103.05454	2.6
105.07032	21.2
107.04951	5.9
107.08620	11.0
109.02885	2.6
109.06491	2.6
109.10152	9.0
111.04445	5.1
111.08083	4.4
111.92204	1.6
113.00069	1.6
115.05463	4.1
117.07040	15.0
119.08604	13.4
121.06525	4.1
121.10129	7.6
123.04448	4.6
123.08038	3.4
123.11732	2.1
125.09621	3.2
128.06209	8.6
129.07013	26.2
131.04936	2.3
131.08578	19.8
133.06523	4.3
133.10138	7.9
135.08051	3.8
135.11743	2.7
137.05989	2.9
137.09636	4.6
139.03896	23.3
141.06987	14.9
142.07784	9.6
143.08568	24.2
144.09442	2.1
145.06459	6.9
145.10118	14.1
146.32495	1.8
147.08005	3.7
147.11703	3.5
148.57896	1.6
149.09560	2.9
151.03999	2.3
151.07541	5.2
152.06252	2.6
153.01810	7.0
153.07021	8.6
154.07779	8.4
155.08553	23.0
157.06505	7.4
157.10130	13.5
159.08028	9.5
159.11748	8.6
161.05994	2.7
161.09596	4.1
165.07034	8.6
165.09126	22.9
166.07774	4.6
167.08551	16.5
168.09351	5.3
169.10130	22.0
171.08028	6.8
171.11668	11.7
172.08914	1.8
173.05943	2.0
173.09608	7.3
173.13246	4.2
175.11119	1.9
175.14948	2.1
178.07785	3.3
179.08553	8.3
180.09235	3.2
181.06474	4.1
181.10100	18.5
182.07207	2.6
182.10907	3.0
183.08115	9.4
183.11702	14.6
184.08835	2.2
185.09660	11.0
185.13284	7.7
186.54028	1.7
187.07510	3.3
187.11179	2.4
187.14795	2.2
189.09126	3.2
191.08549	2.6
191.10695	2.3
192.09334	4.5
193.10126	9.6
193.12004	2.5
195.08073	13.3
195.11668	14.6
196.08817	2.9
197.09654	10.3
197.13177	9.2
198.10378	2.5
199.07562	2.2
199.11186	6.4
199.14937	2.7
201.09181	2.9
201.12625	2.1
205.10184	5.4
207.11728	7.2
208.08902	2.3
209.09575	11.3
209.13234	8.1
210.10428	4.6
211.11221	9.6
211.14835	3.6
213.09290	2.0
213.12762	6.5
215.10657	2.9
215.14323	4.0
221.13255	5.5
222.10391	1.8
223.11169	9.2
223.14818	5.6
224.12054	3.5
225.12723	10.1
227.10728	2.3
227.14403	2.4
229.12157	3.2
233.13187	4.4
235.14865	2.9
237.12781	5.8
238.13538	1.7
239.14211	4.4
241.12291	2.6
247.15004	2.3
251.14436	2.6
255.13582	2.0
257.18976	2.2
263.14420	2.4
269.15393	2.7
271.17023	1.9
283.17194	2.0
303.20868	2.0
307.17084	2.2
307.20496	3.8
309.22226	2.0
311.23743	2.1
321.22150	6.5
325.21719	3.1
331.20569	4.9
337.21683	2.6
339.23239	10.8
349.21594	22.1
357.24426	3.4
367.22723	39.5
385.23807	13.8
386.24240	1.9
399.24933	2.1
423.25244	5.4
429.26242	9.4
441.26382	100.0
459.27371	68.3
460.27798	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63891	1.3
53.03944	3.8
55.01887	9.9
55.02107	2.0
55.05271	2.2
55.05518	33.8
57.03436	6.6
57.07074	2.6
59.04989	2.0
64.75629	1.3
65.03963	2.7
67.05509	34.3
69.03447	8.8
69.07074	14.9
70.04086	6.7
70.06595	2.1
71.04999	4.9
71.20370	2.5
71.20698	2.1
79.05497	40.4
80.35124	1.2
81.02990	1.8
81.03432	17.3
81.06597	2.1
81.07070	34.9
83.04984	9.7
83.08634	15.2
84.08113	1.5
85.02896	3.4
85.06536	3.8
91.05489	26.0
93.07053	19.7
95.04979	15.0
95.08616	25.2
97.06541	4.6
97.10178	21.5
99.08099	3.3
100.08428	1.6
103.05444	1.9
105.07043	21.6
107.04969	18.7
107.08611	22.3
109.02944	1.6
109.06522	7.3
109.10158	22.2
111.04449	2.7
111.08104	4.5
113.00021	2.0
115.05480	2.9
117.07037	14.0
119.04926	2.3
119.08585	17.0
121.06516	17.5
121.10169	10.4
123.04435	3.1
123.08092	11.8
123.11689	3.5
125.02346	1.5
125.06003	2.8
125.09637	20.0
128.06239	2.6
129.07007	13.4
131.04932	6.9
131.08572	12.1
133.06526	8.9
133.10139	9.5
135.04420	1.4
135.08084	9.7
135.11684	3.1
137.05954	1.7
137.09613	10.3
139.03917	33.4
139.11169	2.1
141.07024	4.6
142.07750	2.0
143.08597	10.1
144.05768	2.4
145.06497	28.1
145.10136	9.8
147.04471	2.6
147.08110	9.2
147.11719	10.3
149.06012	2.1
149.09624	5.5
149.13220	2.3
151.03885	3.7
151.07559	67.7
151.11230	1.7
153.01776	9.0
153.09117	5.5
153.12761	2.0
155.08569	4.3
156.31194	1.3
157.06512	6.8
157.10139	6.3
159.08057	5.9
159.11647	3.3
161.05991	6.2
161.09628	6.4
163.11240	4.6
163.14905	1.6
165.07043	2.3
165.09137	57.0
165.10544	3.3
165.12823	2.0
167.07100	2.0
167.08530	3.5
169.06674	1.9
169.10181	3.9
171.08076	6.1
171.10326	1.8
171.11705	3.6
173.09673	4.6
175.07567	2.6
175.11214	5.7
176.08269	1.7
177.09119	4.4
181.10301	2.5
183.08098	2.9
183.10294	2.0
183.11787	2.7
185.09624	5.9
185.13211	3.8
187.11217	3.2
187.14821	2.4
188.40823	1.7
189.09167	3.3
189.11220	8.2
189.12823	3.3
191.10654	16.3
193.12242	15.6
195.08037	2.0
195.11690	4.0
197.09695	2.2
197.13304	3.9
199.11221	4.6
201.09023	2.3
203.10748	3.4
203.14389	1.6
205.12210	8.8
205.15878	2.3
209.09422	1.6
209.13298	2.2
211.11292	3.5
211.13187	2.0
213.12602	3.1
215.14389	4.2
217.12312	3.3
223.11331	2.2
225.12698	3.6
227.14406	2.2
231.13762	2.2
233.15268	6.9
233.18962	1.9
237.12772	5.0
239.14398	2.0
245.15292	2.0
249.14886	2.6
251.14397	1.8
255.13867	6.4
259.13309	2.9
269.15527	1.9
271.17072	3.8
273.14914	23.5
275.16440	1.8
287.05576	6.2
287.16528	3.1
293.14975	1.6
319.86267	1.7
331.20230	1.9
339.23099	7.3
349.21661	21.3
357.24292	5.1
367.22742	45.4
385.23740	49.0
403.25031	8.8
405.24371	3.3
423.24957	2.9
441.25809	8.1
458.38321	1.5
459.27408	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	459.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01867	3.1
55.05515	6.1
56.75886	0.9
57.03434	3.0
59.04990	1.3
61.02935	2.1
67.05508	8.3
68.99783	1.1
69.03432	10.4
69.07064	3.5
69.63354	2.5
69.63768	3.4
71.04996	63.1
73.02957	0.9
79.00997	0.8
79.05498	8.4
81.03432	8.3
81.07056	14.5
83.04967	2.0
83.08634	2.3
85.02428	1.6
85.02908	17.5
87.00829	9.7
87.08096	1.9
91.05508	5.1
93.07040	6.1
95.04965	1.7
95.08603	9.1
97.02897	9.0
97.06521	1.8
97.10159	2.7
99.04457	2.7
103.05491	1.0
105.01860	7.0
105.07040	7.7
107.04924	2.2
107.08586	7.8
108.09746	1.0
109.02888	5.9
109.06514	2.6
109.10155	5.4
116.26824	1.0
117.07076	1.5
119.08589	5.0
119.09389	0.9
121.06537	2.3
121.10151	37.3
123.08074	6.7
123.11719	34.6
125.09624	2.7
127.03929	12.7
129.06932	2.0
131.08574	2.7
133.06509	1.2
133.10175	5.2
135.08022	1.5
135.11693	3.0
137.05998	2.4
137.09628	3.4
139.03899	9.1
141.79788	0.9
142.08656	1.4
143.08565	2.1
145.04987	4.1
145.06473	2.9
145.10153	2.0
147.08049	1.2
147.11707	2.7
149.09709	1.0
151.03920	1.7
151.07550	21.3
151.11208	6.8
153.01819	2.2
153.12698	1.0
155.08479	1.0
157.10141	1.4
159.02864	1.2
159.08023	1.3
161.09698	1.3
163.11250	1.2
165.09094	5.4
165.12761	7.1
175.14787	5.0
177.09167	1.9
188.03412	4.9
189.09111	0.9
189.11130	1.2
191.10693	8.1
193.15889	100.0
194.16214	1.7
203.10677	1.2
205.12244	1.4
206.04645	1.3
211.16937	16.6
213.03999	1.0
214.08650	1.2
231.04999	1.3
273.14926	2.7
329.11343	2.9
349.21637	1.6
357.24149	1.3
367.22781	4.4
385.23633	6.8
403.24911	1.6
459.27319	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	459.0926
Annotation	Epigallocatechin Gallate
Peak:m/z	Relative Intensity
51.02388	0.3
51.05773	0.3
51.48594	0.3
53.00311	0.9
58.55404	0.4
63.47090	0.3
65.03944	1.6
67.05501	0.5
68.99782	0.5
70.13052	0.9
79.01847	1.2
83.04984	0.4
85.49475	0.3
93.03395	0.8
93.28555	0.3
107.01377	0.5
107.04913	0.4
111.00820	0.4
111.04461	1.7
121.02885	1.3
123.04465	2.7
123.40767	0.3
125.02364	0.4
127.03958	0.6
133.02818	0.6
135.04411	0.9
139.03917	100.0
140.04257	1.4
143.03413	1.0
149.06033	0.6
151.03912	9.0
153.01842	17.2
153.02896	1.0
163.03943	5.3
177.05495	0.5
179.07097	0.6
181.04950	2.0
205.04974	2.0
247.06105	0.6
247.77573	0.3
271.05969	0.4
288.08878	0.4
289.07144	3.0
291.04861	0.4
307.08231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.2
55.01877	0.5
65.03957	1.5
67.05481	0.4
68.99783	0.6
69.40466	3.0
79.01854	0.7
83.05006	0.4
93.03429	0.6
95.04946	0.4
97.02895	0.7
107.01343	0.3
111.00724	0.4
111.04433	1.5
121.02886	1.3
122.04905	0.3
123.04450	3.2
125.02309	0.6
131.04929	0.5
135.04398	0.9
139.03909	100.0
140.04251	0.7
143.03418	2.1
149.05980	0.4
151.02745	0.7
151.03920	10.3
153.01845	19.3
153.02957	1.8
163.03889	4.7
177.05432	0.3
181.04936	2.2
193.35231	0.4
199.78783	0.3
205.04977	2.5
247.06194	0.5
276.78574	0.4
281.04367	0.4
289.07132	4.1
307.08005	1.8
368.89130	0.4
462.30508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78957	1.5
53.03966	1.8
53.40698	1.8
68.69001	1.6
69.73934	11.5
70.06602	68.0
73.53359	1.7
78.98394	1.8
84.08163	5.7
92.17300	1.7
107.94621	1.9
116.07104	100.0
130.08620	3.7
135.38351	2.4
139.03935	8.3
158.02228	2.2
163.03906	13.6
211.07646	3.1
255.06628	2.2
257.07962	2.1
267.06656	2.2
297.07495	2.9
320.11334	5.7
458.11920	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	458.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81288	2.0
53.03925	2.3
53.58989	1.8
55.05501	2.0
66.91492	2.1
69.03423	2.0
71.15705	5.3
72.08160	3.9
75.04459	4.4
79.05482	3.4
85.02899	4.4
86.09707	2.6
87.04466	1.9
93.07056	2.9
101.07873	1.9
101.08607	2.1
105.07031	16.1
107.08581	2.1
109.02891	2.1
115.06528	2.0
117.63200	2.0
119.08544	2.5
121.06422	2.1
122.55022	1.7
129.07172	1.7
130.06442	2.4
130.08615	3.6
131.07323	17.1
132.08121	15.1
133.10133	8.1
134.10464	4.3
135.44275	1.8
137.09612	4.8
138.09956	2.7
139.03923	3.3
144.08076	4.7
145.08972	3.6
145.10045	1.9
146.09648	100.0
147.09947	3.9
153.01855	12.7
154.02054	2.4
158.09723	11.1
158.10797	1.9
160.07578	4.1
160.11235	35.2
172.07639	2.0
186.57687	2.2
188.10771	4.4
189.52522	1.9
190.12244	3.5
191.14339	2.3
192.10170	18.0
192.13785	2.1
218.11787	7.4
220.13435	2.7
246.11327	3.1
250.14438	10.9
264.12256	15.4
278.13876	71.3
296.09180	2.7
296.14972	8.5
330.72952	2.1
356.96143	1.9
435.33813	2.6
440.13321	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	458.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.5
65.03941	1.9
67.05505	1.3
68.99789	4.8
69.03414	2.6
69.47384	3.5
69.47804	2.9
69.59340	0.8
84.08138	11.4
89.70761	0.8
91.05466	2.5
95.04960	1.4
97.02867	1.6
98.21474	2.0
107.04933	1.1
108.39349	1.0
110.57785	0.9
111.04436	4.5
116.00243	1.0
119.04895	1.4
121.02871	4.6
121.06499	2.2
123.04424	3.9
126.02266	0.9
130.08649	16.9
135.04433	1.8
137.05988	11.4
139.03909	79.3
143.03360	1.3
144.03346	2.7
149.06009	1.8
149.93890	1.0
150.02223	0.9
151.03888	3.5
153.01868	1.1
153.05469	7.6
153.06917	1.7
154.08669	4.7
155.01669	1.2
156.03300	1.3
160.11378	0.8
163.03914	100.0
165.05467	2.4
165.06979	2.8
168.03265	1.9
169.06451	1.2
170.01225	2.1
173.05991	1.2
174.30083	0.9
177.05496	12.5
177.06921	1.6
181.04929	3.7
181.06511	3.5
183.08107	1.7
185.02351	1.1
185.05995	3.7
186.04355	2.2
186.51465	1.0
187.07475	1.2
188.02330	7.1
193.06488	3.2
195.04497	1.0
195.08002	2.1
197.05968	3.0
199.07584	5.5
203.07146	1.0
204.05447	1.0
206.03343	2.1
209.06013	1.6
211.07588	6.8
213.05511	11.5
214.06250	1.5
215.07080	1.7
221.06001	11.6
223.07565	2.7
225.05402	2.4
227.07060	11.9
229.04997	1.5
233.06012	1.2
237.05479	4.2
239.07048	15.1
241.04945	12.4
242.05750	1.3
243.06451	5.9
245.04437	1.4
245.08232	1.5
249.05510	9.2
250.06522	1.3
251.07072	5.2
255.06537	16.1
257.04495	1.0
257.08118	5.9
259.06046	13.3
260.06778	13.1
261.07565	2.7
265.08826	1.4
267.06534	22.2
269.08032	2.0
271.06042	6.8
273.07611	13.1
278.10184	3.3
279.06448	4.2
281.08044	1.3
285.07568	11.1
290.10254	11.0
293.07935	1.2
297.07568	12.8
299.09042	7.5
302.10233	1.3
303.08548	3.8
303.12048	1.2
315.08536	1.3
317.10458	6.2
320.07483	1.7
320.11273	32.0
329.10312	10.3
347.11111	4.5
387.08527	1.3
405.09735	10.2
405.14871	1.4
423.10776	4.8
440.13388	20.2
458.14359	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	458.145
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	2.4
67.34361	1.6
68.99795	4.1
69.03442	3.9
69.23218	12.5
69.23624	2.4
70.06599	32.1
81.85987	1.6
82.06583	3.3
84.08160	6.7
91.05507	2.2
93.03400	1.5
95.04988	2.2
107.05002	1.7
111.04482	4.4
116.07106	41.3
119.05027	2.4
121.02852	3.7
121.06485	7.7
122.06868	2.7
123.04453	4.4
130.08672	4.9
135.04474	3.2
137.06000	7.3
138.09154	2.0
139.03915	88.6
146.94270	1.8
149.05949	1.8
151.03929	4.7
153.01863	7.2
153.05467	6.3
153.07031	2.3
155.08627	1.8
163.03914	100.0
165.07040	2.8
167.73413	1.7
177.05513	12.1
177.06953	2.2
181.04991	4.8
181.06473	2.9
183.08147	2.2
185.05971	2.7
193.06487	3.5
197.06046	4.4
199.07603	4.6
209.06059	3.5
211.07503	9.3
213.05507	11.4
214.06244	2.6
221.05981	12.7
223.07539	2.7
225.05370	3.0
227.07080	13.6
229.04944	2.3
237.05479	3.3
239.07014	14.3
241.04927	9.5
242.05724	2.0
243.06509	6.1
245.04558	3.2
249.05499	8.8
251.07088	6.1
255.06558	13.7
257.08127	5.7
259.06058	13.4
260.06879	15.2
261.07507	2.3
267.06497	21.0
269.08435	1.8
271.06064	7.0
272.72971	1.6
273.07605	15.7
278.10394	2.6
279.06805	3.3
285.07471	11.5
290.10168	12.0
297.07541	11.3
301.11685	1.7
303.08701	4.1
320.11295	31.0
387.08722	1.9
405.09708	10.7
423.10751	5.5
440.13611	15.1
458.14374	14.4
458.37033	1.8
459.15192	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01859	4.2
55.05518	8.3
57.03437	4.7
57.07084	2.8
67.05502	11.0
68.99802	4.5
69.03434	18.7
69.07070	11.0
70.06598	2.8
70.29705	9.4
71.04996	5.3
72.08157	5.3
77.10960	2.5
79.01859	3.7
79.05499	8.8
81.03416	8.0
81.07050	12.7
83.04986	15.5
83.08641	6.4
85.02921	11.3
85.06535	3.9
86.09745	3.1
87.00840	6.1
91.05482	7.2
93.07056	16.1
95.04984	8.3
95.08613	26.7
97.02894	7.8
97.06534	5.3
97.10217	3.8
99.04447	3.4
99.08094	6.5
105.01869	4.2
105.07020	12.8
107.08615	37.9
109.02905	5.0
109.06534	19.3
109.10159	24.5
111.08116	4.0
117.07014	2.7
119.08604	11.7
121.06511	8.3
121.10155	42.5
123.08083	6.4
123.11734	7.0
125.09657	18.1
126.30491	2.5
127.03916	12.5
131.08617	7.4
133.10126	18.7
135.08057	21.7
135.11710	5.6
137.09647	16.8
139.03920	7.2
139.11208	8.9
143.08595	3.7
145.10165	7.1
145.26535	3.0
147.11685	10.6
149.09631	15.6
149.13292	23.8
151.07547	4.6
151.09969	5.6
151.11201	91.7
153.01836	53.5
153.02982	6.2
153.09123	3.2
154.02148	3.4
155.07037	3.0
158.10960	3.6
159.02957	3.2
159.11737	3.2
161.09599	3.1
163.14871	14.7
165.09093	7.3
165.12778	8.9
173.13249	17.8
179.03418	4.8
191.10675	3.5
191.14320	100.0
196.77875	2.5
209.15378	86.4
274.86661	2.9
287.05466	7.4
305.06033	6.3
457.23984	8.5
457.36548	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01867	3.8
55.05504	8.9
55.73767	2.6
57.07065	3.1
59.05001	2.6
67.05499	8.5
69.03439	42.4
69.07059	8.9
70.06589	4.1
71.04968	2.4
71.50829	4.4
72.08163	5.0
79.05481	7.0
81.03442	4.8
81.07052	17.4
83.04995	14.9
85.02920	14.1
85.06535	3.5
87.00826	4.4
91.05473	8.5
93.07047	17.0
95.04948	2.4
95.08604	17.5
95.13026	2.3
97.02900	10.0
97.06526	7.8
97.10182	3.4
99.04511	2.9
99.08134	3.0
105.01868	6.4
105.07023	12.5
107.04955	3.2
107.08624	23.8
109.02863	3.9
109.06532	6.5
109.10199	11.0
111.04452	2.7
111.08045	3.5
117.07034	3.8
119.08593	9.8
121.06500	6.2
121.10130	15.6
123.08062	6.9
123.11689	8.3
125.06009	2.6
125.09666	19.9
127.03918	14.4
131.08566	9.9
133.10121	10.9
135.08069	15.3
135.11691	8.0
137.05943	4.6
137.09602	6.9
139.03909	6.4
143.08549	4.6
145.04958	3.4
145.10097	5.2
147.04387	2.2
147.11665	15.6
149.09625	10.5
149.13271	7.0
151.07541	22.4
151.11162	4.1
153.01845	27.3
153.09065	5.7
161.09685	4.2
163.11232	3.5
163.14789	3.9
165.09120	25.1
165.12753	3.7
171.11578	2.6
173.13290	22.4
179.03326	3.8
189.09164	3.3
189.12697	2.6
191.10703	10.1
191.14316	100.0
203.03343	2.7
205.12291	5.4
209.15382	93.6
231.04951	3.0
287.05624	3.8
295.17899	7.4
305.06152	2.5
457.23782	13.9
457.29349	2.6
457.36197	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	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01877	3.5
55.05514	2.8
57.03437	2.2
59.04995	1.2
61.02940	1.8
67.05502	4.4
69.03428	13.9
69.07072	3.0
70.06570	1.1
71.04989	2.4
71.51687	1.6
72.08148	1.2
73.02917	1.9
78.50286	1.1
79.05470	3.5
81.03417	11.2
81.07051	4.6
83.04993	3.5
83.08631	1.8
84.08171	1.5
85.02911	15.9
86.09735	1.1
87.00826	6.5
90.69463	1.1
91.05470	3.3
93.07054	4.7
95.04967	8.8
95.08604	4.6
96.14963	1.1
97.02897	6.5
99.04458	5.4
105.01879	3.3
105.07031	8.3
107.08580	7.0
109.02903	6.2
109.06506	5.3
109.10143	3.9
117.01830	1.5
119.08591	4.7
121.06515	1.9
121.10146	16.0
122.07291	2.8
123.08079	4.9
123.11745	2.0
127.03918	9.3
129.01854	1.2
131.08578	1.5
133.10132	6.4
135.08105	2.1
137.09613	16.1
139.03911	2.4
145.04932	3.4
145.10141	1.5
147.11719	2.5
149.09634	6.4
149.13286	7.2
151.07530	1.2
151.11191	19.2
153.01807	6.5
159.02875	4.2
161.09659	5.0
163.11046	1.1
165.09102	1.7
165.12759	31.8
165.14157	1.8
166.08635	1.2
167.03384	3.0
173.13304	2.8
191.14310	7.7
193.15967	1.3
209.15375	100.0
210.15739	1.7
231.05000	1.2
280.96680	1.1
287.05481	2.5
358.47794	1.3
457.24588	14.7
457.35580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05467	0.7
53.03941	2.4
55.01877	2.4
55.05497	1.5
57.03446	1.3
57.07080	1.0
59.05001	1.9
61.02922	1.0
65.09210	1.0
67.05505	2.6
68.99779	1.0
69.03432	13.0
69.07070	1.9
69.22752	7.2
71.04977	1.6
71.98129	0.9
73.02908	2.1
79.05505	2.5
81.03426	12.0
81.07064	5.9
83.04968	2.4
85.02909	16.1
86.09724	2.1
87.00833	6.5
91.05479	2.9
93.07063	2.3
95.04974	9.4
95.08603	3.8
97.02896	4.9
97.06552	1.0
99.04462	5.1
105.01869	2.9
105.07027	7.0
107.04960	1.2
107.08595	6.4
109.02882	6.4
109.06537	5.7
109.10157	3.8
119.08562	3.4
121.06526	1.5
121.09316	1.5
121.10151	12.3
122.07278	1.9
122.12848	0.8
123.04382	1.1
123.08070	4.6
123.11707	3.1
127.03928	9.4
129.01811	1.1
131.08554	1.6
133.06577	1.0
133.10121	6.1
135.08054	2.3
135.11723	1.1
137.09622	15.3
139.03954	2.1
145.04962	2.4
145.10208	1.0
147.11707	1.8
149.09639	6.7
149.13287	5.7
151.07564	1.0
151.11200	19.4
153.01848	6.9
159.02921	3.6
161.09651	3.8
163.14827	1.1
165.09291	0.9
165.12761	31.0
165.14160	1.7
167.03423	1.8
173.13303	2.0
189.09177	1.1
191.14279	6.9
193.15897	2.3
209.15376	100.0
210.15625	2.1
231.05045	2.2
253.14360	1.0
369.89108	1.0
371.32153	1.0
439.34851	1.1
457.24420	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	457.1132
Annotation	Epigallocatechin 3-O-vanillate
Peak:m/z	Relative Intensity
50.65813	0.5
53.00288	0.9
53.03930	1.3
55.01844	1.8
55.05497	0.6
57.03419	0.6
59.04990	1.3
63.28380	0.5
65.03944	2.7
67.05484	2.5
68.99775	1.7
69.03428	1.2
69.07061	0.7
70.06573	1.7
71.51215	0.7
72.08137	2.1
79.01839	0.9
79.05493	1.6
81.03413	0.8
81.07067	2.7
82.06653	0.6
83.04964	0.7
84.08144	0.8
85.02890	1.0
86.09692	2.3
87.04446	0.8
89.06049	0.7
91.05496	1.0
93.03379	0.9
93.07056	1.0
95.04992	4.0
95.08614	1.2
95.24477	0.7
97.02889	1.0
98.06084	0.6
99.04453	0.9
99.56078	0.6
103.05406	0.6
105.07021	2.0
107.08584	0.7
108.02097	1.4
109.10157	0.7
111.00797	1.3
111.04478	3.4
117.05459	0.6
119.04971	0.6
119.08608	1.0
120.08057	0.6
121.02849	1.0
121.06507	1.6
121.10137	1.0
123.04431	4.0
125.02326	0.7
125.09608	0.7
127.03957	3.4
133.10161	1.2
136.01550	0.6
139.03912	100.0
140.04266	1.5
141.05449	1.6
145.10141	1.3
147.04359	2.8
149.05998	1.2
149.09630	0.9
151.03918	73.3
151.05023	6.3
152.04288	1.5
153.01840	14.0
153.02893	0.8
159.08299	0.8
161.09612	0.7
163.03922	4.3
167.03410	2.1
173.13306	0.9
175.03963	0.7
176.83972	0.5
177.05627	0.6
179.03436	2.4
191.14368	2.0
199.04073	0.5
201.05429	0.7
203.03424	1.1
205.04987	4.1
209.15482	1.7
229.15535	0.6
231.04887	0.6
247.06306	0.5
266.97787	0.6
271.06253	0.8
287.05499	2.9
289.07056	4.8
303.05118	0.7
305.06555	0.9
331.04645	1.3
359.20261	2.1
457.16788	0.7
457.24435	2.7
457.31171	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.7
53.03943	0.7
55.01868	0.6
55.05512	8.3
56.05853	2.3
56.11051	0.3
57.07082	0.6
58.06588	0.4
63.82473	0.3
65.03927	0.4
67.05499	0.6
68.99766	0.4
69.03435	3.0
69.07059	1.3
69.17984	2.9
69.18385	0.7
70.06593	0.8
71.05009	0.4
71.08621	0.8
73.84423	0.3
74.56200	0.3
79.01858	5.2
79.05525	0.3
81.03414	1.8
81.07034	0.7
82.06583	1.3
83.04990	0.6
83.06921	0.5
83.08628	5.1
84.04498	0.4
84.08119	0.7
84.08932	2.8
85.02895	1.4
85.09282	0.7
86.09708	0.3
97.02888	3.1
97.06525	0.7
98.09689	1.0
98.20776	0.5
100.07630	2.0
100.11259	31.0
101.07951	1.0
101.10986	1.2
101.11590	17.1
102.11897	1.9
103.03942	0.5
103.61454	0.3
105.07016	0.6
105.14484	0.3
107.01302	1.5
107.08574	0.4
109.02862	1.5
110.04300	0.3
110.06044	1.0
111.04449	2.8
111.06384	0.9
112.04778	1.3
112.07597	0.7
113.04868	0.5
113.07975	0.3
113.11584	0.4
117.13871	0.6
121.06522	1.6
123.00743	0.3
123.04408	0.6
124.07572	0.8
125.02350	2.6
126.09148	0.8
127.03923	3.1
127.08683	0.7
128.07080	1.7
129.07393	0.9
130.07565	0.5
139.03905	3.1
139.08658	1.6
140.07104	1.2
140.09030	1.2
141.07452	0.6
141.09332	0.5
142.08633	3.3
143.03416	6.3
145.04944	0.4
146.06061	0.5
148.07556	1.5
153.01834	100.0
153.02901	6.0
154.02151	1.0
157.04955	0.6
163.03925	0.8
167.03400	13.0
171.02901	0.9
182.15393	4.8
183.15761	7.0
183.88252	0.3
184.09715	1.1
184.16014	3.1
191.03304	0.4
205.24896	0.3
208.09738	1.1
209.16536	4.9
210.14894	4.1
210.16840	7.0
211.15225	5.6
211.17152	4.0
212.15503	4.1
212.17378	0.5
213.15773	0.6
220.09723	0.9
226.19180	1.3
227.17606	0.3
227.19452	2.1
228.19743	1.5
229.16217	0.4
229.18234	0.4
230.08133	0.6
230.16501	0.4
237.03961	0.5
250.10786	0.7
263.01529	0.3
286.12927	0.8
287.13846	0.5
294.13211	0.5
297.06100	1.5
297.17673	0.4
315.07040	5.4
319.04321	1.6
327.28430	0.6
328.28604	0.7
337.23181	0.8
338.23416	1.2
435.33163	0.7
436.33612	0.6
437.33905	16.1
438.34225	5.2
455.34958	49.1
456.12994	0.6
456.35239	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	456.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
65.03936	1.4
66.49742	0.5
67.05501	0.6
68.99800	1.2
69.03410	1.1
69.47101	2.2
69.47509	1.3
70.06573	0.9
72.08150	0.8
73.13263	0.5
77.51251	0.5
83.04966	1.1
85.02895	1.9
93.03394	1.2
95.04967	0.6
95.31931	0.4
97.02885	1.1
98.06023	0.8
107.04982	1.1
109.02899	0.6
111.04456	6.1
118.08960	0.4
119.07371	0.6
121.02831	0.7
121.06577	1.0
123.04433	5.2
124.07592	2.2
127.03925	0.7
135.04471	1.1
139.03908	100.0
140.04309	0.8
141.01830	1.0
142.08624	1.1
144.28462	0.5
145.04927	0.7
151.03923	4.0
153.01805	3.0
153.05461	2.1
153.09290	0.5
163.03915	14.5
181.04965	1.3
184.07564	1.2
187.06339	0.6
188.06987	0.9
196.07549	0.9
198.05640	0.6
200.07115	1.8
202.05035	1.0
202.08572	0.8
212.07092	6.9
215.05751	1.0
216.06500	3.5
217.07346	1.4
226.04921	0.6
228.06586	2.5
229.07382	3.7
230.04494	1.3
230.08134	23.2
231.08656	1.2
240.06561	16.4
241.07300	1.9
242.08160	1.3
243.05260	2.3
244.06047	4.6
250.04945	0.9
252.06615	1.1
253.07480	0.7
254.08136	1.0
256.06082	6.2
257.06897	1.7
258.07645	9.5
259.08408	21.2
266.08157	0.7
268.06049	13.5
270.07639	1.5
272.08923	0.6
276.08701	2.1
280.06036	2.1
285.06241	0.6
286.07120	8.9
288.08713	0.8
298.07077	2.8
300.08734	2.4
312.08316	0.6
315.13474	1.4
318.09741	14.6
360.08676	0.6
378.09744	5.7
379.10168	1.0
388.07990	0.8
396.10883	1.3
397.11603	5.2
406.09186	3.4
424.10391	2.8
438.11966	1.3
456.12933	44.2
457.13229	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01857	1.3
63.71705	0.7
65.03920	2.0
65.93678	0.7
67.05492	2.0
67.75960	0.6
68.99777	2.1
69.03423	1.3
71.15748	1.7
71.85162	0.6
83.04965	1.2
90.69659	0.7
93.03381	1.3
95.04967	1.2
97.02879	0.8
107.04925	0.7
111.04443	6.2
123.04439	8.9
135.04362	1.2
139.03903	100.0
140.04218	0.9
151.03909	6.0
153.05458	2.3
154.06595	0.9
163.03905	23.0
174.74825	0.7
181.04959	3.0
184.07588	1.2
188.07066	1.1
200.07077	1.7
202.05083	1.3
210.89720	0.7
212.07082	7.0
215.05682	1.0
216.06511	3.3
217.07256	3.5
222.05779	0.9
224.07129	1.4
228.06544	2.0
229.07272	4.7
230.04594	1.2
230.08136	21.8
240.06541	16.2
241.07304	1.4
242.08115	1.9
243.05392	2.3
244.06079	8.9
250.04903	1.0
254.08063	1.1
256.06030	10.6
257.06955	1.2
258.07617	9.8
259.08395	18.3
260.08942	0.8
261.95154	0.7
268.06021	15.3
270.07602	1.1
272.09198	1.0
276.08594	5.4
280.06076	2.6
282.07779	0.9
285.06451	1.0
286.07083	9.2
288.08633	1.5
298.07166	4.1
300.08673	4.2
318.09790	17.9
363.02267	0.7
378.09561	4.0
396.10474	1.1
397.11496	2.9
406.09152	3.4
424.10400	3.2
438.11850	1.0
456.12933	32.5
457.13141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64500	0.6
55.01867	1.2
62.15663	0.6
65.03936	1.8
67.05512	1.2
68.99784	1.9
69.03424	1.3
69.52589	4.0
70.36586	0.5
76.83779	0.7
83.04980	1.4
87.03584	0.7
91.05490	0.7
93.03399	1.7
95.04961	1.0
97.02888	0.9
98.20781	0.7
107.04977	1.2
111.04453	6.1
119.04073	0.6
119.04907	0.9
121.02845	0.6
122.06075	0.6
123.04424	9.9
125.06000	1.3
126.59383	0.6
135.04437	1.5
139.03905	100.0
140.04295	1.2
142.08734	0.8
151.03909	7.4
152.04224	0.6
153.01849	2.0
153.05487	2.3
156.08029	0.6
163.03911	19.9
181.04980	2.2
184.07565	1.3
187.06293	0.8
188.07030	2.1
189.04114	0.7
198.05583	1.3
200.07094	1.7
202.05045	1.4
206.11787	1.1
212.07063	7.2
214.04959	1.0
216.06493	3.8
217.07381	2.1
222.05624	0.7
224.07045	1.8
228.06560	2.7
229.07309	5.0
230.04504	1.8
230.08128	30.8
231.08678	1.0
240.06546	18.4
240.08813	1.2
241.07320	1.4
242.08095	1.1
243.05295	2.3
244.06076	8.9
250.05038	1.3
252.06567	1.0
253.07402	1.2
254.08235	1.3
256.06055	7.5
257.06818	1.5
258.07651	11.5
259.08395	24.0
260.08752	0.8
268.06058	20.5
270.07581	1.3
271.38165	0.6
272.09201	0.7
276.08664	4.0
280.06073	2.9
286.07071	8.8
288.08643	1.1
294.07394	0.7
298.07019	3.4
300.08524	4.7
312.08713	0.7
318.09781	13.3
378.09637	5.4
396.10883	1.5
397.11658	5.8
406.09216	5.2
420.11868	1.1
424.10361	3.4
438.11636	1.5
456.12924	44.2
457.13193	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	455.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33644	1.6
54.62421	2.0
55.05512	4.9
57.03440	2.1
57.07082	100.0
58.04218	6.3
59.05013	25.1
60.04514	2.3
67.05510	4.9
69.07075	8.8
70.07845	2.3
71.08639	98.8
71.51567	2.7
72.05775	7.7
73.02920	3.5
73.06559	8.8
77.14546	1.9
79.05494	3.2
79.93857	2.0
81.07063	7.3
83.08627	6.0
85.10194	86.7
86.50797	1.8
87.04474	12.6
88.07613	5.5
89.06033	15.0
90.01923	37.0
93.07066	2.7
95.08612	8.0
97.10162	5.8
99.11717	9.3
102.09160	2.4
103.07571	5.8
109.10123	3.5
110.23469	1.8
117.09167	3.5
133.08661	2.4
135.11621	2.0
138.14044	6.2
141.16415	11.4
143.27759	2.0
153.93396	2.0
178.07144	3.9
198.19789	4.3
199.20566	8.0
200.20161	4.5
222.09753	6.8
240.10866	6.7
243.23122	2.4
270.62085	2.1
278.65143	1.9
283.26257	4.8
348.34811	2.6
455.37177	2.3
456.43976	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	456.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
55.01877	0.2
55.05515	0.3
58.84776	0.2
61.43567	0.2
65.03946	1.8
67.05493	0.4
68.99801	0.2
69.03430	0.4
69.07075	0.3
69.37235	0.9
69.37666	0.5
70.06564	0.3
71.01354	0.3
72.08158	0.5
81.03423	0.5
81.07034	0.2
83.04968	0.7
84.08118	0.3
86.09692	0.3
91.05473	0.6
93.03381	0.5
93.07046	1.2
95.04949	0.3
96.02106	0.3
97.02924	0.2
98.21659	0.2
103.05460	0.5
105.07021	0.4
107.04994	0.2
109.02837	0.4
111.04462	0.7
118.96918	0.2
120.08110	0.3
121.02861	0.2
121.06512	8.3
122.06005	0.2
123.04438	0.8
124.03914	0.2
124.07568	0.5
125.02360	0.8
125.50634	0.2
127.03938	0.2
128.07082	0.2
136.07564	0.5
137.05991	0.3
138.09129	0.3
139.02924	0.3
139.03909	3.4
140.07034	0.2
144.42134	0.2
146.06004	0.5
147.06808	0.2
148.07584	0.7
151.03952	0.4
152.01057	0.5
153.01842	2.9
153.02986	0.3
157.03737	0.4
157.04973	5.6
163.03934	0.6
164.07048	0.4
165.07498	0.2
167.03404	100.0
168.03735	1.4
188.09337	0.2
216.06596	0.3
218.63554	0.2
230.08139	0.8
240.06471	0.4
244.06070	0.2
244.23302	0.2
256.06042	0.4
258.07614	0.4
259.08441	0.5
268.06049	0.5
271.14316	0.5
273.07669	0.2
287.13733	0.2
290.91046	0.2
301.17618	0.6
315.09964	0.3
318.09668	0.4
319.04501	12.7
394.22473	0.3
412.22104	0.3
438.24890	0.3
439.10388	0.4
456.12790	1.8
456.38596	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57220	1.1
53.28651	1.1
55.05523	1.8
57.07071	1.4
71.50916	1.8
76.84456	1.2
83.08624	1.6
89.06026	1.6
93.61197	1.0
100.11257	4.6
111.04343	1.1
112.66153	1.4
133.08603	1.9
160.97244	1.3
164.86705	1.1
187.03676	100.0
209.16655	1.4
210.14818	1.2
228.06219	2.8
239.14954	1.4
326.28110	1.4
435.33353	1.9
453.33514	46.8
469.48657	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2931
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05494	2.4
55.26112	0.8
57.03446	4.5
57.07081	22.1
59.14075	0.8
62.06091	24.9
67.05500	4.3
69.07059	3.0
70.13099	2.9
71.08636	15.9
75.95171	0.7
81.07059	4.5
83.08629	3.7
85.10191	8.3
95.08624	9.5
97.06581	0.8
97.10147	2.2
98.98482	5.6
109.10128	3.5
113.24755	0.7
118.53863	0.7
124.01650	1.7
127.10963	0.7
142.02678	1.0
155.01036	6.6
187.67926	0.8
198.05304	1.0
206.78581	0.7
216.06311	2.7
239.23697	1.6
282.27939	13.4
313.27380	100.0
314.27740	2.3
393.23831	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	454.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.3
57.07079	99.8
59.05006	17.1
67.05513	2.9
69.07061	4.6
71.08635	100.0
73.06544	2.3
83.08585	3.3
85.10187	98.2
87.04513	3.1
89.06034	74.8
94.63725	1.6
97.10197	1.9
98.00957	1.4
99.11736	10.7
101.45826	1.3
102.22953	1.3
103.07582	6.7
107.07088	1.8
130.08685	1.4
131.07047	1.7
133.08609	75.4
133.96336	1.5
141.16397	10.8
175.09720	2.4
177.11208	14.2
179.85187	1.6
199.20595	8.5
203.98898	1.4
221.13885	6.5
239.14908	28.3
243.23242	4.6
279.18091	4.4
283.17578	6.6
297.18982	2.5
437.34726	9.2
454.33914	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71928	0.6
64.60735	0.6
71.41879	0.9
72.71957	0.5
75.91338	0.5
112.89610	1.6
212.85210	1.0
224.92932	0.5
246.19008	0.6
427.72501	0.6
455.11649	100.0
456.12012	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84486	0.5
53.48521	0.6
55.01849	0.5
55.05480	1.1
57.03389	0.5
67.05455	1.6
69.03426	1.4
69.07049	1.4
70.43139	1.9
72.08124	0.8
79.05455	1.2
81.03377	0.8
81.07056	3.1
84.08121	0.6
85.02866	0.7
85.06523	0.7
91.03893	0.6
91.05471	0.9
93.07014	2.4
95.02412	0.7
95.04937	0.6
95.08566	1.8
97.02814	0.6
97.06474	0.6
105.06991	1.5
107.08588	1.4
109.02890	0.8
109.10114	1.0
116.60357	0.6
119.08549	1.9
121.06507	0.8
121.10129	1.3
123.11732	0.5
124.03903	0.7
125.09589	0.9
131.08562	0.9
133.10094	0.9
135.08109	0.6
135.11656	0.7
137.05980	0.8
139.03932	5.6
139.11121	0.8
141.99213	0.5
143.08568	0.6
149.09602	0.6
151.03882	1.7
151.07541	0.8
153.01799	2.2
163.03868	0.9
165.05475	1.1
165.09082	2.5
166.05861	0.7
177.05261	0.6
183.02849	0.8
185.04207	0.7
196.06761	0.5
211.10773	1.5
230.08018	0.6
249.26274	0.7
275.16306	0.8
293.17252	100.0
294.17566	1.0
303.05048	1.1
310.40607	0.6
328.00113	0.6
455.22589	74.2
456.12943	0.8
456.23087	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44330	1.2
55.05503	2.3
57.07080	100.0
59.05006	20.8
65.60672	1.1
67.05486	1.2
69.07057	4.3
69.25330	7.6
69.25742	3.8
69.83848	1.2
71.08636	78.5
73.02924	39.3
81.07052	1.5
83.08616	2.5
85.10188	68.4
87.04462	1.6
87.08112	2.8
89.06036	16.9
95.08619	1.7
97.10197	1.6
98.20711	2.2
99.11738	13.2
103.07618	7.2
104.92325	1.0
111.11774	1.6
113.13284	2.8
117.05473	1.7
117.09135	2.9
133.08592	5.2
141.16365	3.8
155.18018	6.3
164.67059	1.2
174.24754	1.2
176.45369	1.2
177.11182	6.4
184.37788	1.3
185.19022	2.8
195.12315	8.4
205.10709	3.9
213.22185	6.8
223.11674	2.8
239.14857	2.4
243.23146	2.3
257.24750	2.0
356.57571	1.3
407.33795	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	453.1183
Annotation	Epigallocatechin 3-O-p-coumarate
Peak:m/z	Relative Intensity
53.00307	1.0
55.01867	1.0
55.05508	1.9
64.21427	0.4
65.03941	2.1
67.05499	1.3
68.99783	0.9
69.03431	1.0
69.07055	0.9
69.33054	2.9
70.06584	0.5
72.35516	0.3
79.05502	0.8
80.88194	0.3
81.07050	1.2
83.04990	0.7
83.08641	0.9
85.02921	0.7
85.06543	1.2
86.09758	0.4
87.85892	0.4
91.05479	7.4
93.03387	0.6
93.07055	0.9
95.04968	1.1
95.08606	1.0
97.02884	0.7
97.10159	0.4
98.20786	0.6
100.11258	4.2
105.07027	0.9
105.94125	0.4
107.04982	0.7
107.08559	0.7
107.44520	0.4
109.02837	0.5
109.10170	0.9
111.00826	1.0
111.04448	2.1
119.04951	11.8
119.08579	0.7
121.02876	1.8
121.10150	0.5
123.04433	4.0
125.09631	0.6
127.03928	0.7
129.25449	0.4
131.04953	0.6
138.09102	0.5
139.03906	100.0
140.04263	1.2
142.08693	0.5
142.12286	0.7
145.10081	0.5
147.04414	30.5
147.11699	0.5
149.05977	0.7
151.03905	9.9
153.01823	1.1
159.04497	0.4
161.09563	0.5
163.03899	3.6
165.05511	0.6
165.09151	0.5
179.07065	0.6
181.04921	0.4
182.15392	0.8
187.03989	0.5
191.03491	0.9
205.05003	2.9
209.16606	0.6
210.14955	0.6
229.04982	0.6
247.05931	0.4
263.94571	0.4
271.06210	0.5
289.07053	4.0
291.12109	1.3
295.20026	0.5
350.56830	0.4
377.09146	0.6
435.33267	0.9
452.35834	0.4
453.21420	0.8
453.34424	3.2
468.80942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1553
Annotation	Campyloside A
Peak:m/z	Relative Intensity
52.71039	0.6
53.03933	1.2
55.01893	0.6
61.02916	0.6
69.03415	2.1
69.34566	5.0
70.02129	0.6
78.89949	0.5
79.01853	1.2
81.03416	1.8
85.02910	5.7
91.05494	7.4
91.84774	0.6
93.07043	7.8
95.04987	1.0
97.02882	3.1
103.05470	4.8
109.02886	0.7
113.47520	0.6
119.04942	1.9
121.06506	100.0
122.06859	1.5
124.03951	1.0
125.02326	1.6
127.03914	2.1
129.27481	0.7
138.09145	17.7
139.03891	1.8
143.03398	1.3
147.04433	2.7
148.07582	0.8
153.01833	55.2
153.02846	2.3
154.02168	1.3
165.05467	10.7
188.03809	1.6
189.18477	0.7
195.02922	0.9
205.40297	0.6
236.98705	0.6
273.07617	4.3
290.10223	39.5
291.10492	1.1
315.07263	1.5
356.11441	1.2
365.51797	0.7
374.12286	1.4
392.13208	1.2
434.14465	4.7
452.15598	23.1
452.21664	2.4
453.15298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.6
55.01869	1.5
55.93031	0.8
57.03425	1.4
58.35698	0.7
61.02917	1.6
62.06093	1.3
65.03943	1.7
69.03441	6.7
69.25192	7.6
71.04980	0.8
73.02921	0.8
79.01865	2.4
79.05502	0.8
81.03424	3.3
85.02910	13.7
91.05492	18.9
93.07056	2.6
95.04951	1.1
97.02909	5.1
99.04425	0.9
103.05473	1.7
107.04963	1.2
109.02902	2.3
111.04462	0.7
117.24151	0.8
119.04940	5.9
119.23317	0.7
121.06516	36.5
122.06064	1.2
123.04431	0.9
125.02372	2.5
127.03946	3.6
130.06595	1.0
137.05978	1.3
138.05508	1.1
139.03897	3.7
143.03413	2.9
145.04997	2.5
147.04420	13.0
148.07629	0.9
151.03987	1.3
153.01846	100.0
153.02815	3.7
154.02168	4.4
157.07591	1.0
157.86218	0.9
162.09154	1.4
165.05495	76.6
166.05939	0.8
208.09767	2.1
228.08728	1.7
246.11444	1.4
249.51648	0.8
258.05283	1.5
272.10309	2.2
273.07599	66.6
274.08154	1.5
290.07111	1.4
290.10266	28.8
303.71640	0.8
315.07040	7.2
332.11688	1.1
368.11371	1.1
398.12527	1.2
416.13553	3.2
434.14536	4.1
435.17511	1.1
452.15680	4.6
453.18643	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	452.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01854	0.9
61.02930	1.1
62.06094	8.4
69.03437	4.9
69.39846	6.9
79.01844	3.2
80.92014	0.9
81.03423	1.9
85.02907	11.4
91.05494	8.0
93.07043	5.6
95.04973	2.0
95.42416	0.7
96.31870	0.9
97.02902	5.6
98.06072	0.8
103.05467	3.8
107.04939	2.3
108.04494	0.9
109.02874	2.3
119.04961	1.2
120.08076	1.6
121.06516	73.6
122.06030	2.3
125.02370	1.9
126.05510	2.7
127.03947	4.0
130.06537	2.6
137.05934	1.7
138.09140	1.3
139.03908	3.0
139.04916	1.0
143.03374	3.6
145.04964	1.6
146.06024	1.0
147.04402	2.8
148.07523	1.6
153.01846	100.0
153.02931	4.3
154.02209	1.5
154.05020	2.5
157.07619	4.4
165.05496	17.4
208.09756	0.9
246.11319	4.0
264.12186	2.0
272.10400	5.9
273.07611	16.3
282.13382	2.3
290.10236	17.5
315.07104	13.4
387.24362	0.9
416.13498	9.9
434.14374	11.3
452.15646	6.1
453.18207	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03957	0.5
55.01866	0.5
57.03442	0.4
58.78557	0.3
62.86441	0.3
69.03436	2.9
70.06590	1.1
70.84036	0.9
73.80396	0.3
76.02114	0.3
79.01859	2.2
81.03413	0.9
81.07067	0.4
84.83947	0.3
85.02923	2.0
86.09693	0.3
91.05484	1.3
93.07056	1.8
95.04922	0.4
97.02901	2.3
99.04446	0.5
102.03757	0.4
103.05489	1.1
106.06546	0.6
107.01321	0.8
109.02861	0.6
121.02870	0.8
121.06514	28.1
122.06047	0.3
124.03995	0.5
124.07629	0.6
125.02365	2.2
127.03941	2.0
128.01591	0.4
132.01169	0.4
135.98727	0.3
138.09145	1.2
139.03917	0.8
143.03410	3.5
145.04980	1.9
147.04474	0.4
149.07471	2.3
151.11176	1.6
152.07092	0.9
153.01840	100.0
153.02831	4.0
154.02196	1.3
159.65138	0.4
163.03873	0.3
164.10982	0.3
165.05524	0.5
170.08134	0.6
171.02962	2.2
174.02240	0.5
191.03387	0.5
199.23436	0.4
206.40697	0.3
209.04396	0.5
233.04488	0.3
237.03831	0.8
261.12704	0.6
271.28336	0.3
273.07510	1.7
276.04968	0.4
290.10291	3.2
297.06128	2.0
315.07138	7.4
329.39566	0.3
434.14175	0.7
435.12592	0.5
452.15616	3.7
453.18954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04041	3.8
53.03951	5.3
53.61313	4.1
55.01850	4.6
55.05517	33.0
57.07085	38.6
64.46899	4.7
64.97702	4.4
66.32191	4.8
67.05506	18.2
69.06743	4.0
69.07076	57.1
71.08633	27.6
71.51447	5.7
79.05495	12.2
81.07068	30.9
83.04986	6.5
83.08629	30.9
84.62396	4.6
85.10180	10.1
87.04435	4.3
89.06024	15.5
91.05472	13.8
93.07084	24.6
95.04977	14.9
95.08607	29.5
97.06556	11.0
97.10184	29.5
105.07041	6.7
107.08636	15.0
109.06505	11.0
109.10155	17.9
111.11727	14.3
113.06011	3.9
119.04950	14.2
119.08575	5.7
121.06517	67.7
121.10150	8.1
123.04451	12.5
123.08079	16.1
123.11729	6.9
125.02351	6.3
125.05989	6.3
127.55929	3.8
133.08575	5.6
133.10146	7.7
135.08096	8.5
135.11736	7.3
137.05988	40.8
139.07567	23.1
139.46840	4.0
141.05478	8.9
142.53101	4.3
143.32362	4.0
145.10258	4.7
149.05980	4.8
151.07544	5.8
155.07056	65.5
159.51065	4.7
167.07047	40.7
230.26195	4.6
387.36136	5.1
402.63376	4.2
405.37180	18.5
406.01962	4.5
433.36679	13.0
451.37854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.0
57.07080	24.1
64.65814	1.0
64.81829	1.0
67.05515	2.6
69.07074	7.0
70.76355	2.2
71.08639	16.8
74.04156	1.2
79.05495	1.5
81.07044	7.7
83.08634	5.9
85.10188	8.4
89.06032	2.6
91.05463	2.6
95.08618	6.7
97.10165	2.8
104.90170	1.1
105.03385	15.1
109.10151	4.2
111.11716	2.5
111.12705	1.0
113.33510	1.2
117.07054	1.1
123.11707	1.5
128.06273	2.9
129.07013	4.9
131.08557	8.7
133.02890	3.5
135.11676	1.3
137.13351	1.2
141.06998	3.9
142.07762	1.6
143.08560	4.1
143.45404	1.2
147.04465	2.1
153.01883	1.7
153.07030	3.8
155.08589	5.5
157.06485	10.0
157.10126	1.7
159.04463	2.8
159.08046	10.7
161.05917	2.6
165.07065	2.1
166.07747	2.6
167.08604	4.6
169.10037	1.5
170.07265	1.7
171.08057	16.1
173.06047	2.4
179.08542	3.0
181.06470	3.0
181.10136	4.5
182.07323	1.1
183.08098	2.7
185.06056	1.8
185.09622	22.5
187.07550	100.0
188.07866	1.1
193.10078	1.1
194.07271	2.5
195.08081	4.5
195.11629	1.9
196.08830	2.0
197.06004	1.7
197.09636	13.0
198.06799	2.8
199.07515	13.7
199.11174	2.5
201.09103	1.4
208.08858	4.6
209.09659	8.8
211.07645	1.9
211.11176	9.7
212.08342	1.4
213.09093	10.6
222.10411	2.0
223.11205	7.5
225.09122	4.1
225.12721	7.4
226.09938	2.5
227.10658	13.4
237.12787	3.7
239.14571	2.2
241.12198	8.3
251.14388	2.0
255.13744	2.7
269.15421	1.9
283.17020	1.9
297.18472	1.7
325.21570	1.8
339.23279	2.2
350.05099	1.2
353.24777	2.1
367.26520	1.4
395.29422	1.5
423.32227	1.4
433.34604	7.3
436.33356	2.7
451.35718	58.7
452.36176	3.0
457.23230	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.0
69.03418	3.4
70.06590	1.4
79.01851	2.4
81.03409	2.7
85.02917	2.9
93.45850	1.0
97.02903	3.4
98.20755	3.8
107.01296	1.8
109.02886	4.6
115.70341	1.0
121.06521	1.6
124.03973	3.3
125.02365	3.7
125.04323	1.5
127.03903	6.0
139.03931	2.0
143.03401	3.9
151.07567	4.1
152.07841	3.3
153.01834	100.0
153.02838	4.0
157.52467	1.4
171.02888	9.8
182.16006	1.4
234.46783	1.0
297.06073	3.4
299.09732	1.1
314.13165	2.1
315.07080	14.2
339.08646	1.1
342.81744	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
53.37406	0.3
55.01871	0.7
58.67313	0.3
59.09948	0.3
67.05500	0.4
69.03419	1.3
69.26610	3.0
79.05492	1.1
81.03426	0.5
81.05830	0.4
81.07048	0.6
85.02899	2.0
91.05462	2.6
92.06304	0.3
93.07023	0.6
94.06584	1.0
95.05003	0.4
95.67136	0.3
96.08127	0.9
97.02888	1.3
100.11263	0.5
105.07037	0.6
105.30926	0.3
106.06543	2.5
107.08614	0.3
108.08141	0.6
109.02875	0.5
117.05758	0.8
118.06552	3.2
119.07323	1.1
120.08109	14.2
121.10146	0.4
122.09650	0.4
124.07601	8.1
126.09177	1.0
127.03893	0.7
134.06020	7.0
136.07590	3.4
137.06000	0.8
138.05521	1.4
138.09154	0.4
145.04892	0.4
146.06007	5.7
147.06790	3.2
148.07581	13.3
150.09134	1.3
152.07076	0.8
153.01872	2.2
154.12299	0.4
163.03964	0.4
164.07076	64.8
165.07664	0.7
166.08675	2.7
172.11304	0.4
200.10736	0.7
214.11020	0.6
215.15437	2.1
216.10262	1.9
225.13983	0.5
226.12335	0.5
228.10298	0.5
229.13335	1.9
243.14949	8.2
245.16563	2.9
253.13399	1.2
254.11816	1.3
271.14426	26.1
272.14771	0.5
281.18488	0.6
287.05585	2.6
288.05777	2.1
289.06290	5.1
289.15475	100.0
290.15781	1.8
372.58002	0.3
451.11337	1.2
451.21194	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
57.03437	3.6
59.76338	0.6
60.11713	0.7
61.02932	1.5
67.07057	0.6
68.99789	2.3
69.03425	2.3
69.49641	4.0
70.06583	2.2
72.08146	0.8
73.02914	5.2
85.02916	3.1
86.09684	0.9
91.05505	1.1
95.08585	0.7
97.02906	1.4
98.06055	0.9
100.11275	0.7
109.02874	1.5
111.00793	2.8
115.03894	1.3
120.08180	0.7
121.06499	2.3
127.03934	1.3
133.04997	1.0
137.02338	2.3
139.03909	0.9
147.04510	0.9
151.03912	0.7
153.01839	14.6
153.03017	1.1
154.02083	0.6
165.01852	3.4
166.02571	0.8
179.03439	1.7
183.02873	1.0
189.05521	0.9
195.02898	0.9
200.08435	0.6
217.04968	4.1
226.02477	0.7
245.04504	5.3
255.02946	0.9
263.05533	0.8
273.03894	4.3
290.04343	1.2
301.03473	1.6
319.04510	100.0
320.04889	2.5
415.06537	1.0
451.16275	0.7
451.25323	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0874
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
51.18930	0.6
53.41438	0.6
55.01857	0.6
57.03436	5.7
57.82072	0.6
60.25038	0.6
61.02922	1.6
66.47849	0.5
68.99792	1.6
69.03442	1.2
70.06623	0.7
70.39074	1.5
72.08152	0.5
73.02922	13.0
80.40324	0.5
81.03436	0.9
83.53638	0.6
85.02905	0.9
85.11426	0.5
97.02903	0.7
109.02895	1.0
111.00797	2.1
115.03927	1.4
137.02347	2.1
137.05989	1.7
153.01843	13.3
161.06000	0.6
165.01872	3.5
179.03381	1.9
183.02983	0.8
187.48872	0.5
189.05508	1.2
195.02907	0.8
199.03963	0.8
207.02812	0.6
217.05026	4.6
219.02937	0.8
245.04395	5.6
246.04645	0.5
255.02916	0.8
263.05490	0.9
273.03900	4.6
290.04312	1.1
301.03287	1.1
319.04504	100.0
320.04892	2.4
333.06195	1.1
335.02258	1.1
343.04529	0.9
385.83896	0.6
419.70651	0.8
451.19382	2.0
468.83774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
55.01873	0.3
55.05505	0.5
57.10147	0.2
67.05495	0.4
69.03425	0.7
69.17898	0.9
69.18326	1.0
78.36707	0.2
79.01858	4.8
83.04985	2.5
85.02927	0.5
97.02902	0.8
105.03419	0.2
107.01322	1.0
111.04453	4.1
115.05477	0.2
125.02361	2.6
129.05516	0.6
143.03406	6.4
145.06477	0.3
147.04427	0.4
151.03902	0.3
153.01840	100.0
153.02882	5.3
154.02165	1.3
161.06096	0.3
163.03912	0.3
173.06036	0.6
179.03426	2.0
181.01320	1.5
189.05510	0.3
191.03491	0.3
195.02968	0.5
201.05504	1.6
207.02907	5.4
209.04594	0.4
217.05022	0.8
219.06528	3.1
221.04433	1.1
223.02335	1.3
235.06056	0.8
237.04034	0.9
245.04451	0.3
261.42929	0.2
263.05566	0.9
281.06638	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	451.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.3
51.02383	0.6
55.01876	0.3
67.05519	0.3
69.03434	0.4
69.32916	1.6
79.01854	5.0
79.05496	0.2
80.35477	0.2
81.07066	0.5
83.04992	0.8
85.02892	0.4
86.09716	0.2
93.07028	0.3
95.04997	0.4
95.08625	0.3
97.02900	1.3
105.07005	0.2
107.01327	0.8
107.08591	0.3
111.04449	0.7
119.04900	0.2
121.10208	0.2
125.02354	2.8
137.02368	0.3
137.06009	0.6
143.03407	6.0
147.04422	0.3
151.03970	0.2
153.01837	100.0
153.02892	5.9
154.02180	1.3
161.13281	0.2
163.03928	0.7
173.06100	0.2
179.03304	0.2
181.01314	0.2
191.03424	0.9
203.03378	0.2
207.02901	0.3
219.06512	0.5
221.04353	0.8
223.02382	0.2
229.99698	0.2
237.04002	0.4
245.04547	0.4
263.05521	0.7
281.06592	0.8
299.07678	0.2
305.03000	1.2
363.90909	0.2
389.04953	0.2
414.79156	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.6
55.05487	0.5
63.04564	0.4
67.05499	0.7
69.03429	0.7
71.42926	0.6
79.01862	4.9
83.04985	2.6
85.02918	0.4
91.05474	0.4
97.02901	1.2
107.01329	1.3
108.01479	0.3
111.04448	4.2
111.70556	0.3
125.02384	2.2
126.13503	0.3
129.05504	0.5
133.02870	0.5
143.03409	6.2
151.03867	0.5
153.01845	100.0
153.02904	5.9
154.02177	1.3
173.06032	0.9
179.03447	1.6
181.01361	1.6
188.88330	0.3
189.05420	0.3
201.05493	1.5
207.02907	4.6
217.04964	0.7
219.03152	0.4
219.06494	3.1
221.04498	1.3
223.02371	0.9
235.06168	0.4
237.03952	1.0
245.04538	0.5
263.05545	1.4
276.43732	0.3
281.06638	3.0
289.15530	0.8
402.34628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.3
51.02383	0.4
51.87249	0.2
53.00301	0.2
55.05503	0.5
60.27214	0.2
63.81459	0.2
65.03967	0.2
67.05502	0.5
68.99756	0.2
69.03426	1.0
74.22047	0.2
79.01853	4.8
83.04990	2.4
85.02885	0.4
87.00819	0.3
91.05464	0.2
93.40583	0.2
97.02905	0.9
98.20753	0.4
107.01331	0.9
111.04445	3.9
118.66378	0.2
119.04970	0.4
123.00806	0.3
125.02348	3.1
127.87527	0.2
129.05490	0.6
133.02925	0.2
143.03397	6.8
145.06502	0.4
147.04422	0.4
151.03937	0.3
153.01837	100.0
153.02896	6.0
154.02147	1.1
161.06017	0.3
163.03882	0.4
173.05977	0.7
179.03438	1.9
181.01320	1.6
189.05481	0.4
191.03430	0.5
193.04889	0.3
201.05489	1.7
203.03474	0.3
207.02879	5.4
207.04733	0.3
209.04533	0.4
217.05005	0.5
219.06549	3.2
221.04462	1.2
223.02348	1.3
235.06018	0.9
237.03955	1.0
245.04576	0.8
263.05530	1.1
281.06592	3.5
404.77948	0.2
436.35663	0.3
461.84457	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.4
51.02380	0.7
55.01870	0.4
55.05520	1.2
55.05744	0.2
67.05498	0.2
68.99771	0.2
69.03425	0.4
69.66348	1.0
79.01860	5.8
81.07041	0.3
83.04980	2.2
85.02885	0.3
90.96230	0.2
91.05552	0.2
93.07039	0.3
97.02911	1.4
103.78165	0.1
107.01342	1.3
107.04956	0.5
109.02859	0.2
111.04449	21.4
117.50973	0.2
123.00820	0.2
125.02344	2.9
134.97684	0.2
137.06006	0.2
143.03404	6.3
145.06519	0.2
153.01842	100.0
153.02901	6.4
154.02180	1.1
166.05046	0.2
179.03418	0.3
181.01367	0.5
189.05409	0.2
193.04967	0.3
195.02931	0.3
201.05472	0.6
201.12935	0.2
207.02919	1.0
219.06564	0.7
221.04428	0.5
223.02386	0.3
245.04646	0.2
263.05542	3.1
281.06583	0.9
299.09201	0.6
451.09595	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.6
51.59894	0.4
53.03417	0.4
54.13241	0.4
59.76119	0.4
67.05494	0.6
69.03442	0.5
70.75619	1.5
73.64075	0.4
79.01852	5.5
83.04978	2.7
84.07557	0.4
85.02928	0.4
90.57314	0.5
97.02899	1.0
106.76511	0.4
107.01318	1.4
111.04449	3.3
125.02331	3.1
129.05476	0.6
143.03412	6.7
151.03914	0.7
153.01837	100.0
153.02907	6.0
154.02180	0.9
173.06049	0.7
179.03445	2.2
181.01366	1.3
195.02873	0.5
198.64827	0.5
201.05499	1.7
207.02888	5.6
217.05042	0.7
219.06514	3.0
221.04424	0.6
223.02354	1.2
237.03896	1.0
245.04582	0.5
263.05545	1.4
278.21304	0.5
281.06607	3.7
436.72238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01885	0.3
58.15913	0.2
63.00125	0.2
69.03425	0.3
70.06578	0.3
70.62495	0.4
70.62831	0.5
78.42505	0.2
85.02915	0.6
86.81016	0.2
89.06044	1.1
91.05489	3.2
93.07048	5.4
95.04980	1.0
97.02901	0.3
98.97598	0.5
102.28632	0.2
103.05472	3.6
105.04510	0.4
121.06518	100.0
122.06056	0.4
122.06841	1.2
124.03954	2.3
137.06010	1.0
138.05499	0.6
138.09154	31.7
139.09476	0.3
151.09666	1.9
153.01842	2.0
154.08595	0.5
164.87607	0.2
180.99432	0.2
182.08246	0.2
224.38658	0.2
270.09866	0.5
298.09204	0.8
318.21069	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56704	2.7
57.07078	100.0
57.83096	3.1
57.88865	2.7
59.04756	2.9
59.05004	40.6
63.09913	2.7
69.17294	2.8
71.08637	67.5
71.43766	3.9
82.02598	2.8
83.08628	2.9
84.70258	2.4
85.10191	61.7
87.04477	32.4
97.10178	4.8
99.11732	14.8
101.09622	3.8
113.13278	4.8
117.09127	15.9
150.89406	2.5
155.17943	4.8
176.31404	2.6
213.22064	8.8
271.26239	6.2
368.91666	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	450.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
55.82134	0.3
67.05492	0.3
68.99779	0.3
69.03426	0.5
70.25997	1.0
72.08083	0.3
74.06065	0.3
78.03458	3.7
79.01854	2.8
80.05023	4.0
85.02886	0.4
91.05496	0.3
95.04914	0.5
96.04486	2.9
96.08141	0.4
97.02898	1.2
101.99277	0.3
106.02920	5.3
107.01303	0.8
111.04410	0.6
113.46013	0.3
115.42751	0.3
116.07077	0.4
120.06564	0.3
121.06506	0.4
124.03957	100.0
124.07546	2.4
125.02380	1.9
125.04282	0.9
127.03901	0.3
137.05988	0.4
138.05472	0.7
139.03899	1.6
143.03413	4.3
149.05986	0.4
153.01837	59.4
153.02908	3.6
154.02153	1.1
161.05986	0.5
198.94998	0.3
207.10068	0.6
225.09581	0.3
234.11227	0.4
263.87146	0.3
270.13232	0.3
276.04855	0.3
280.08212	0.6
289.07132	0.4
298.09225	43.9
299.09479	1.0
414.18121	0.3
450.10260	13.5
451.10504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3992
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
55.01849	2.4
55.05513	18.6
57.06833	2.1
57.07082	18.4
67.05505	14.9
69.07071	24.9
71.08643	15.3
71.51521	2.7
74.15489	2.5
79.05499	5.6
81.07064	14.5
83.08630	18.9
85.10172	5.4
91.05486	8.0
93.07053	10.7
95.04985	3.0
95.08620	20.3
97.10172	23.4
105.07040	6.4
107.08584	5.6
109.06503	7.3
109.10185	13.9
111.08101	12.6
111.11732	3.2
112.45485	2.5
116.33412	2.3
117.07044	2.4
119.08590	15.3
121.06476	5.2
121.10179	6.9
123.04446	7.0
123.08093	2.5
123.11710	8.6
133.10178	5.2
135.11694	5.3
137.05983	3.5
137.09625	16.9
139.07558	34.2
147.08044	3.3
151.11180	7.5
165.09140	7.2
165.12755	7.3
179.14334	8.2
190.56827	2.9
193.16025	5.8
207.17490	3.1
221.15501	2.8
263.23618	2.7
347.29388	4.9
355.11002	2.9
403.39349	32.6
406.97559	3.0
431.38864	100.0
449.39941	88.1
450.39996	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3992
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
53.03930	2.8
55.05265	2.0
55.05515	21.4
57.07078	16.8
67.05511	10.0
69.07072	23.4
71.08640	11.6
71.51777	2.4
78.29897	1.1
79.05476	4.2
81.07069	15.4
83.04976	3.4
83.08628	19.5
84.63043	1.4
85.10175	5.7
91.05476	8.0
93.07047	12.6
93.56908	1.2
95.04969	4.2
95.08610	16.4
97.06517	1.9
97.10175	22.9
101.26011	1.2
105.07034	6.7
107.08573	5.9
109.06514	4.3
109.10159	16.7
111.08088	11.6
111.11721	5.6
119.08592	16.0
121.06494	6.8
121.10135	6.4
123.04472	8.3
123.08069	6.4
123.11741	8.1
125.05991	3.0
125.09604	2.0
133.10123	6.6
135.08035	1.7
135.11687	8.2
137.05933	1.9
137.09607	18.6
137.13342	1.8
139.07549	34.1
147.08055	5.2
147.11697	2.9
149.09619	1.8
149.13254	3.8
151.07550	2.2
151.11159	10.5
151.14861	1.5
153.09109	2.0
155.10727	1.5
159.11726	1.3
161.13249	3.3
163.11211	1.2
165.09137	11.8
165.12831	6.1
167.10695	1.2
175.14824	4.6
179.10724	1.7
179.14308	8.3
183.10191	2.5
187.07579	1.3
193.15930	4.8
207.13879	2.4
207.17462	4.5
221.15366	1.7
221.19022	1.6
223.75677	1.1
225.09093	3.8
235.20657	2.4
287.05466	1.8
304.37442	1.3
316.70346	1.3
347.29477	4.9
385.38513	1.7
403.39392	28.3
427.69556	1.4
431.38882	87.9
432.39139	2.7
449.39935	100.0
450.40369	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	449.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20867	0.6
55.01867	0.9
55.05518	3.3
57.07076	0.9
67.05502	6.3
69.03425	1.5
69.07069	2.6
69.95773	3.0
74.54544	0.6
75.93548	0.6
79.05499	1.8
80.14572	0.7
81.07060	5.3
83.01362	1.1
83.04978	1.5
83.08638	1.5
85.06519	0.9
91.05492	1.9
93.07052	2.5
95.08614	10.4
97.10185	1.3
103.05469	0.7
105.07046	3.2
107.08619	1.7
108.05698	0.9
109.10167	2.0
111.04445	4.5
117.07077	0.7
119.08585	1.3
120.12720	0.7
121.06545	1.2
121.10095	0.8
123.08076	12.1
126.97576	0.7
130.07799	1.0
131.08543	2.0
135.08069	8.0
135.11674	1.1
143.08653	1.0
145.10129	3.4
147.07970	0.7
147.11609	0.8
149.09639	2.5
151.07553	96.2
152.07864	2.0
159.08069	1.8
159.11743	1.5
161.06094	1.2
161.09656	0.6
162.06805	0.7
163.07552	0.8
163.11211	5.1
165.09099	1.4
173.09608	3.5
175.07559	0.8
176.08380	6.4
177.09120	23.3
187.11198	1.6
189.09125	0.9
190.09923	1.7
191.10683	100.0
192.11020	2.0
203.10699	1.0
205.12254	42.8
217.12219	1.2
219.13855	1.6
287.05618	1.3
413.34143	2.7
431.35422	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26593	1.3
53.03951	8.2
55.01863	4.9
55.05514	26.3
57.03441	11.9
57.07063	3.6
65.03932	3.9
67.05508	100.0
69.06732	2.1
69.07072	29.8
70.07416	1.3
70.82492	3.5
71.01343	4.3
71.04991	7.5
78.53455	1.4
79.05497	77.7
81.03419	9.3
81.07057	88.6
83.04557	1.6
83.04990	15.8
83.08624	15.5
85.06082	1.4
85.06528	7.7
91.05486	43.0
93.07046	93.5
95.04980	10.7
95.08608	24.3
97.06534	21.8
97.10195	7.8
99.08098	4.5
105.04514	3.1
105.07037	13.8
107.04931	3.6
107.08600	49.8
109.06516	3.9
109.10175	7.6
111.08085	7.8
111.11704	1.9
115.05463	1.6
117.07003	13.1
119.08581	9.2
121.06509	4.4
121.10161	22.7
123.11733	2.2
125.09635	3.4
126.29623	1.5
130.07787	1.9
131.08588	11.9
133.10136	11.3
135.08032	3.2
135.11699	55.4
137.09564	3.3
145.10112	11.4
147.11703	3.1
149.13271	31.7
159.11708	14.3
163.11171	9.0
177.12769	6.9
181.12274	10.0
191.08139	1.5
195.13844	10.5
199.13361	2.0
269.17499	2.1
287.05496	3.5
337.26413	2.2
340.58414	1.4
357.24268	2.0
431.27771	2.0
449.28976	72.3
450.29239	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	449.3628
Annotation	Numersterol A
Peak:m/z	Relative Intensity
55.01867	3.2
55.05301	2.8
55.05518	28.5
57.07080	49.9
67.05504	24.2
69.06727	4.2
69.07075	48.4
69.13196	2.4
71.08633	35.2
75.76829	2.7
79.05504	12.1
81.07057	36.5
83.08627	30.4
84.93745	2.5
85.10187	20.8
91.03914	2.6
91.05495	10.6
93.07048	20.4
95.04980	7.5
95.08608	38.9
97.06509	4.7
97.10177	17.0
99.04457	42.1
105.07021	16.0
107.08616	15.9
109.06526	16.6
109.10163	18.0
111.04456	42.3
111.08052	3.2
111.11737	11.8
113.06007	19.1
119.08602	15.8
121.06490	6.6
121.10174	7.5
123.04447	4.5
123.08092	11.8
123.11707	8.3
125.06005	61.8
125.13309	4.0
128.77417	3.0
131.08578	3.7
133.10159	11.5
135.04416	7.9
135.08049	7.6
135.11699	7.8
137.05983	16.5
137.09697	6.3
139.07530	6.7
143.08562	4.0
145.10149	5.0
147.08023	5.4
147.11703	10.5
149.13264	5.4
151.03920	6.0
151.07550	12.6
151.14877	2.7
153.05496	11.0
159.11693	3.6
161.09616	5.4
161.13251	5.1
163.07541	20.9
163.11139	3.2
165.05461	18.0
165.09158	6.7
167.06883	2.4
169.04984	6.9
170.47762	2.4
171.11658	2.8
175.11226	6.2
175.14841	3.2
177.09219	7.0
177.13000	2.8
179.10703	3.5
181.08774	2.8
183.06549	18.6
189.12791	7.5
191.10696	6.2
193.12256	3.6
203.17943	3.1
204.11592	2.9
205.12263	5.2
207.13814	4.6
217.12189	8.0
235.13242	2.9
251.16084	2.9
301.28949	7.0
319.29889	10.0
333.31491	3.8
359.29272	3.0
375.35672	2.7
385.34851	10.0
389.33914	12.8
403.35709	100.0
404.36169	3.4
411.23062	3.3
413.34204	23.3
430.82419	3.3
431.35211	79.4
449.36292	78.5
449.41605	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.01864	4.5
55.05511	27.6
57.03445	13.7
57.07071	3.9
65.03936	5.3
67.05512	100.0
69.06741	2.5
69.07077	36.7
69.41228	8.3
69.41640	4.1
71.01348	3.8
71.04992	8.8
73.02918	1.5
74.21522	1.8
77.03865	2.0
79.05499	82.1
81.03414	9.1
81.07062	97.1
83.04982	16.7
83.08627	12.9
85.06543	7.2
85.77702	1.5
91.05492	40.6
91.18560	1.7
93.07051	98.6
95.04974	11.8
95.08620	29.1
97.06535	21.6
97.10163	7.2
98.21346	4.4
99.04446	2.5
99.08080	4.4
102.54985	1.5
103.05498	2.3
104.14679	1.5
105.04534	3.7
105.07044	20.9
106.78407	1.4
107.04945	4.4
107.08601	59.9
108.75292	1.7
109.06495	3.6
109.10161	8.9
111.08073	10.1
111.11669	1.8
114.25089	1.6
115.05450	2.0
117.07035	12.1
119.08585	11.6
121.06498	6.0
121.10159	20.4
123.11694	2.7
125.09637	3.3
128.06299	2.0
129.06947	2.1
130.07773	1.8
131.08600	8.8
133.08600	2.0
133.10123	11.6
135.08075	3.8
135.11702	64.4
137.09576	2.2
145.10115	13.9
147.11711	2.9
149.13266	38.6
151.11165	2.6
159.11711	14.4
163.11157	8.2
164.07092	2.3
177.12775	6.9
181.12291	12.2
195.13834	12.7
249.12714	3.9
287.05374	2.7
327.17468	2.3
405.22165	9.8
449.29062	70.4
450.29245	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
56.66236	0.1
67.01830	0.4
68.99770	0.6
69.03410	0.2
70.64118	0.4
78.03064	0.1
85.02873	0.4
89.03915	0.2
93.07003	0.1
97.02837	0.2
110.77480	0.1
131.12686	0.1
135.04436	1.8
137.02324	0.6
142.17206	0.1
153.01834	6.0
161.02316	0.5
171.02919	0.2
179.03365	0.5
188.05496	0.1
191.72472	0.2
213.05519	0.2
241.04935	0.5
245.04466	0.2
253.59271	0.2
269.04434	0.5
287.05508	100.0
288.05844	2.6
303.05020	1.2
328.01199	0.2
382.56863	0.1
421.80066	0.2
449.10828	18.0
450.11340	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05519	6.5
55.40966	0.7
57.07080	23.3
58.41706	0.5
65.03948	7.0
67.05499	2.3
69.07073	1.0
70.00539	2.5
79.05499	1.9
81.03411	1.5
81.07072	1.8
83.04987	67.1
83.08618	0.8
86.60186	0.5
88.02371	0.6
91.05494	6.6
93.07042	2.3
95.08604	1.0
96.51125	0.7
98.21510	0.8
98.98467	7.2
105.07025	2.6
107.04988	0.9
109.99142	0.6
115.05455	1.8
117.07050	0.8
119.08579	2.0
121.06548	0.6
128.06218	0.9
129.07013	2.0
131.08577	1.6
132.09380	0.7
133.00456	1.0
133.10086	0.9
138.48317	0.6
141.06989	3.8
147.08000	0.8
147.11688	7.9
151.01559	8.3
159.08070	1.4
163.01584	6.3
163.11203	0.6
169.07614	1.4
171.07738	0.6
175.01566	8.7
181.02626	1.7
187.01587	0.8
206.46762	0.5
227.04633	3.5
236.97168	0.7
239.04738	2.0
239.22780	0.7
254.98277	1.4
260.99222	7.7
287.05530	2.2
337.02374	54.6
378.04855	0.8
393.08646	100.0
394.08966	1.7
434.11401	1.3
449.14905	13.8
449.28442	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1084
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
57.03417	0.6
61.02933	5.5
68.99787	1.0
69.03420	0.8
70.63019	1.5
73.02911	1.6
74.71349	0.5
81.03411	0.8
81.93856	0.5
85.02916	3.9
91.03961	2.9
93.07152	0.5
97.02899	2.5
111.00832	0.8
121.02864	3.8
127.03876	0.7
137.02290	0.9
153.01836	7.9
165.01880	2.7
183.02856	1.2
213.05524	1.9
241.05077	0.8
258.05240	0.8
258.36981	0.6
287.05515	100.0
288.05878	3.3
302.19589	0.5
410.57587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03438	3.9
66.69543	1.6
69.85203	3.5
69.85598	5.0
71.04607	1.7
71.04993	28.0
85.02908	28.8
93.42926	1.6
100.35144	2.0
101.78613	1.8
120.97419	1.7
125.61707	1.7
126.60177	1.7
129.05479	8.7
136.86447	1.6
137.02371	4.1
137.51830	1.5
153.01840	5.3
165.01817	2.6
201.05470	2.2
227.72652	2.3
229.04913	5.6
241.26808	1.7
257.04562	3.7
287.05527	8.4
303.04993	100.0
304.05273	2.2
413.08859	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	9.2
56.05847	2.0
57.07084	14.7
61.65554	1.6
67.05497	4.3
69.07069	17.4
70.07404	4.3
70.68131	4.9
71.08640	9.4
72.08971	2.4
81.07057	5.6
83.08623	12.8
84.08938	4.0
85.10159	5.2
93.07035	2.1
95.28751	1.8
97.10181	9.4
98.10525	3.1
105.07039	2.0
107.08562	1.9
109.10157	5.2
110.74349	2.0
111.11714	7.9
119.08540	2.7
121.06516	10.7
122.07287	2.0
125.13249	2.6
131.38921	1.7
135.08049	2.9
136.08896	14.2
137.09648	15.0
139.07561	4.8
149.02367	9.6
149.05965	1.7
149.09602	2.1
150.02660	3.1
151.07532	3.7
152.18498	1.6
163.10852	1.5
164.08348	30.3
165.09128	100.0
166.09496	6.6
169.08603	2.4
177.09154	3.9
181.08620	4.7
182.08965	2.6
191.10677	2.1
205.12285	9.3
430.38058	59.6
431.38492	3.0
448.38751	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	449.1084
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
51.10899	0.1
61.02908	0.2
67.01868	0.6
68.99802	0.5
70.66698	0.3
79.05486	0.2
85.02927	0.2
89.03925	0.2
97.02910	0.2
107.04962	0.7
109.02851	0.2
117.03405	0.2
125.02358	0.2
129.01866	0.2
135.04430	1.6
137.02362	0.5
143.52023	0.1
151.03903	0.1
153.01839	6.6
161.02313	0.6
164.07007	0.4
171.02905	0.2
179.03450	0.3
208.89040	0.1
213.05453	0.3
215.61708	0.1
241.04968	0.6
245.04515	0.2
259.06064	0.2
269.04413	0.5
287.05518	100.0
288.05850	2.2
390.80191	0.1
431.11087	0.2
449.10916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26754	0.8
53.03952	1.8
55.05517	10.5
57.07076	7.5
67.05497	2.7
69.07066	5.6
69.45605	0.8
69.48736	4.6
71.08324	0.8
71.08640	7.4
79.05489	2.4
81.07058	4.9
83.04986	31.7
83.08613	3.5
84.22337	0.8
85.10182	3.2
91.05494	4.3
93.07057	7.3
95.04986	1.4
95.08617	4.5
97.06529	1.3
97.10177	2.4
99.08090	1.9
105.04526	0.9
105.07037	1.4
107.08570	3.8
109.06551	1.7
109.10160	2.1
111.08077	4.2
111.11713	1.1
117.07021	1.0
119.08587	1.7
121.06515	21.8
121.10133	2.6
123.08078	3.7
123.08936	0.8
123.11729	0.9
125.05999	1.8
127.07576	7.6
131.08597	1.4
131.29678	0.8
133.10104	1.5
135.08046	7.2
137.09637	5.4
139.07545	54.1
145.10120	1.3
149.02376	2.3
149.09657	3.0
149.13332	1.0
151.07521	2.3
153.09108	5.6
159.11621	1.3
163.07552	8.6
163.11215	2.1
165.09053	3.7
167.10701	2.9
169.08614	1.2
177.09203	1.4
177.12723	0.9
181.08601	14.0
181.12282	1.8
191.10692	1.2
195.13792	1.1
201.12810	1.0
219.13831	1.2
223.13370	1.4
237.14963	2.3
251.16476	1.3
266.81433	0.8
293.21143	1.6
307.22812	1.4
321.24274	2.0
335.25494	1.0
387.36133	1.3
401.37552	0.9
405.36969	1.0
429.37265	2.3
447.38361	100.0
448.38568	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	447.3838
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05275	2.9
55.05514	34.9
57.07080	56.5
66.28577	1.5
67.05508	9.3
69.07073	67.2
71.08635	45.1
71.22846	2.1
79.05503	5.4
81.07066	12.4
83.05002	1.9
83.08150	3.0
83.08624	46.4
85.10188	24.8
87.61552	1.5
91.05478	6.4
93.07040	6.0
95.08611	10.9
97.10176	47.8
99.11740	2.8
105.07033	3.3
107.08607	16.7
109.10172	8.8
111.08112	2.8
111.11723	29.3
115.05456	1.6
119.08582	6.1
121.06513	5.8
121.10158	4.9
123.11687	2.0
125.13260	13.0
125.79995	1.4
127.14861	1.6
131.08554	2.9
135.08061	20.8
135.11729	2.2
137.05951	1.6
137.09630	11.4
137.13228	1.6
138.06787	4.1
139.07561	25.6
139.14833	3.9
145.10158	2.3
149.02333	3.8
149.09622	12.5
151.07555	13.8
153.09094	12.1
153.16472	1.6
153.94847	1.4
159.11739	2.8
161.09608	2.1
163.07533	9.6
163.11171	8.3
165.09126	100.0
166.06226	2.0
167.07039	1.5
169.08641	7.0
173.13277	4.1
175.11180	3.0
177.09155	14.4
177.12740	2.1
179.10651	4.3
181.08607	30.2
187.14818	1.5
191.10666	8.4
205.12286	7.5
219.13916	2.8
226.16121	1.7
401.38043	1.8
429.37305	36.3
430.37177	2.3
447.38376	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3839
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
53.03950	1.3
55.01881	0.9
55.05270	0.8
55.05518	10.4
57.06840	0.6
57.07085	6.9
67.05501	1.8
69.07066	5.7
70.71564	1.3
70.71915	0.6
71.08639	6.7
79.05498	2.1
81.07057	3.7
82.48467	0.7
83.01363	1.3
83.04988	30.0
83.08609	2.5
85.02919	0.7
85.10204	3.2
91.05478	3.5
93.07059	9.0
95.05000	1.0
95.08632	4.4
97.06548	1.1
97.10179	2.0
99.08094	1.7
105.07047	1.1
107.08601	4.0
109.06525	2.8
109.10165	1.7
111.08099	3.6
111.11758	0.7
119.08606	0.7
121.06515	19.9
121.10177	1.6
123.08078	2.5
125.05977	1.0
127.07587	7.8
135.08070	9.1
135.11678	1.1
137.09636	4.6
139.07555	49.5
149.02376	1.8
149.09624	2.9
151.07570	2.5
153.09119	4.8
159.11757	1.1
163.07562	10.5
163.08812	1.0
163.11218	1.9
165.09132	2.9
167.10693	1.9
169.08635	2.5
173.13300	1.4
177.09187	1.3
177.12733	1.4
179.10605	0.9
180.07852	4.3
181.08598	14.8
181.12250	1.7
182.08904	0.6
191.10765	1.1
191.14337	0.8
195.10162	1.1
195.13780	1.1
203.10785	0.6
204.11151	0.8
205.12285	1.2
209.11652	1.0
209.15483	0.7
223.13370	1.6
233.15514	0.8
237.14941	2.0
251.16515	1.6
265.18024	1.3
279.19647	1.2
293.21182	0.8
307.22614	1.3
321.24118	0.9
335.25922	1.1
387.36716	0.8
391.32077	0.9
405.37186	1.4
429.36908	2.1
447.38382	100.0
448.38638	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09015	2.0
55.05515	9.4
57.07076	20.1
57.58467	1.9
61.90468	1.8
67.05487	8.7
69.07072	16.1
70.07415	1.9
71.08630	16.0
79.05493	6.5
81.07060	12.0
83.08624	11.9
85.10186	10.8
91.05470	6.7
93.07043	4.4
95.08598	9.7
97.10157	8.6
98.20693	3.1
105.07004	5.5
107.08598	11.6
109.06503	4.2
109.10159	7.7
111.08044	2.8
111.11707	8.8
112.99998	7.2
115.76751	1.8
118.40791	1.8
119.08528	5.6
121.06501	6.1
121.10165	4.2
122.91592	2.2
123.08067	4.3
123.11673	4.2
125.05971	2.3
125.13264	3.5
133.10126	4.5
135.08067	13.9
135.11758	2.7
136.80128	2.3
137.05989	22.8
137.09645	5.2
139.03900	6.1
139.07529	27.9
143.42929	1.8
145.10164	3.0
147.08109	2.5
149.02295	3.1
149.09608	3.4
149.13187	2.3
151.07550	13.5
153.09091	3.1
159.11711	4.5
161.13281	2.3
163.07553	9.0
165.09126	46.9
169.02621	9.3
169.08641	2.1
173.09720	2.6
177.09055	3.1
181.04938	10.2
181.08389	2.1
187.11099	2.6
191.10628	7.5
193.44543	2.1
205.12280	4.9
219.13838	3.4
233.15462	2.6
257.87857	2.0
365.34680	2.4
374.15350	2.4
375.16174	4.4
383.36575	3.0
386.84650	1.8
389.17484	11.4
390.17944	3.1
401.37756	4.3
403.18985	5.6
404.19775	9.1
405.37323	4.1
411.36502	2.2
417.16489	2.9
418.17743	8.4
419.22351	34.2
419.38663	6.4
429.37213	15.5
431.18497	2.4
432.19168	9.5
447.21585	100.0
447.38214	2.4
448.22086	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	447.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65421	0.4
53.42731	0.3
55.05502	2.2
57.07071	1.6
65.03928	0.6
67.05511	7.2
69.03421	1.4
69.07070	4.0
69.96763	1.8
72.37249	0.4
79.05481	2.2
81.03410	0.8
81.07064	8.2
83.01340	0.6
83.04989	0.9
83.08611	1.3
85.06548	7.4
91.05488	1.6
93.07053	3.1
95.04961	1.2
95.08612	11.9
96.03452	0.4
97.06531	0.7
97.10179	1.1
99.04440	0.6
99.08073	1.3
105.07043	3.5
107.04926	0.6
107.08589	2.6
108.05703	0.5
109.02879	0.5
109.06532	0.9
109.10133	2.6
111.04436	3.2
111.11710	0.7
117.06996	0.6
119.08599	1.5
121.06505	1.1
121.10140	2.1
123.08078	9.4
123.11716	1.7
125.05977	0.5
125.09607	0.8
127.11245	0.4
129.06989	0.5
131.08586	1.3
133.10149	0.8
135.04424	0.4
135.08066	5.2
135.11679	1.3
137.05988	1.0
137.09628	0.7
137.13249	0.9
139.03877	0.6
139.11208	0.5
145.10138	2.5
147.08073	0.5
147.11729	0.7
149.02338	0.9
149.09607	1.6
149.13310	0.8
151.07547	100.0
152.07878	1.1
153.01846	0.5
159.08095	1.9
159.11676	1.0
163.07553	1.3
163.11177	3.3
163.14911	0.6
165.09131	1.6
173.09587	3.1
175.07596	0.9
175.09746	0.4
175.11157	1.2
176.08345	3.6
177.09117	17.8
177.12720	0.6
183.67201	0.4
187.11159	1.0
188.08369	0.6
189.09070	1.7
189.12706	0.7
189.16281	0.4
190.09839	1.7
191.10675	61.1
192.11063	0.7
203.10675	2.7
205.12244	26.2
206.12535	0.5
217.12250	2.0
219.13776	0.7
227.14500	0.5
229.12167	0.5
229.15826	0.6
231.13826	0.6
245.15361	0.8
257.15268	0.5
259.16748	0.5
278.10950	0.5
279.26852	0.4
291.26959	0.6
397.18600	0.3
411.32718	2.4
429.33679	6.5
447.19135	0.8
447.26697	1.2
458.07364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.05520	2.3
57.03419	0.5
57.07076	3.8
65.03938	0.9
67.05180	0.6
67.05511	9.8
69.03433	1.2
69.07071	4.0
69.41117	1.6
69.41539	1.9
70.03851	0.4
79.05495	2.7
80.54504	0.4
81.03421	0.5
81.07057	7.7
83.01331	0.5
83.04980	1.8
83.08618	1.5
85.06546	30.9
91.05490	2.8
93.07047	3.8
95.04974	0.9
95.08609	13.4
97.02937	0.4
97.06520	0.6
97.10155	0.6
99.08098	1.4
99.79951	0.4
103.05445	1.0
105.07024	3.7
107.08606	2.4
108.05750	0.6
109.02879	1.0
109.06564	0.7
109.10162	4.5
111.04453	3.1
111.11704	0.8
117.06998	0.6
119.08573	1.5
121.06511	8.2
121.10152	1.6
123.08067	10.9
123.11691	2.2
125.09657	1.0
127.03873	0.4
131.08595	1.6
133.10086	1.0
135.08083	5.2
135.11681	1.4
137.05975	1.4
137.09584	0.4
137.13281	0.5
139.11259	0.5
143.08527	0.6
145.10133	2.2
147.11685	0.8
149.09619	1.9
149.13200	1.4
151.07549	100.0
152.07883	2.1
152.19241	0.4
153.01843	2.6
158.07289	0.5
159.08022	1.9
159.11676	1.3
161.06020	0.5
161.09634	0.6
161.13219	0.7
162.06773	0.7
163.07561	1.2
163.11201	4.8
163.14810	0.7
165.09126	1.9
173.09651	3.0
175.07542	1.0
175.11142	1.1
176.08302	4.9
176.14388	0.8
177.09108	18.4
177.12669	0.7
187.11166	1.3
189.09096	1.3
189.12749	0.8
190.09915	1.8
191.10675	67.9
192.11073	1.2
201.09058	0.6
203.10666	1.8
205.12250	31.0
206.12662	0.5
217.12212	1.7
219.13791	1.3
229.15723	0.5
231.13734	0.6
250.15469	0.4
259.16785	0.5
279.26752	0.6
287.19980	0.5
291.26758	0.5
343.32715	0.4
409.54172	0.5
411.32556	2.7
429.33710	5.3
430.34579	0.5
447.27478	0.4
447.34390	0.5
448.15396	0.5
448.21268	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	447.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.05505	2.7
57.03435	0.9
57.07060	1.4
67.05510	7.6
69.03428	2.1
69.07063	2.9
70.53316	1.8
71.04994	0.8
71.08585	0.9
79.05491	2.8
81.07062	11.1
83.04988	1.3
83.08626	2.1
85.02900	1.3
85.06542	3.7
90.07780	0.7
91.05479	1.9
93.07055	4.1
95.04968	1.3
95.08608	10.8
97.02865	0.8
97.10159	1.4
99.08054	1.2
105.07039	4.1
107.04959	0.7
107.08587	2.4
108.05759	0.9
109.02894	0.7
109.06504	1.2
109.08274	0.6
109.10152	4.8
111.04438	2.7
111.11694	0.8
117.07026	0.7
119.08536	1.3
121.06509	1.9
121.10143	2.5
123.08071	10.8
123.11687	2.2
125.09653	2.5
131.08553	1.8
133.10129	1.6
135.08051	5.3
135.11676	2.0
137.05962	1.5
137.13206	0.8
145.10101	2.3
147.11696	1.2
149.02322	1.1
149.09633	2.8
149.13234	1.2
151.07552	100.0
152.07887	2.8
153.01831	2.0
159.08037	1.5
159.11671	1.1
161.06070	1.3
161.09627	0.7
162.06731	0.9
162.73346	0.6
163.07561	0.9
163.11147	4.0
163.14865	1.2
165.09114	1.6
167.07031	1.4
173.09630	2.6
175.07526	1.3
176.08282	3.9
177.09129	19.4
187.11279	0.9
189.09117	2.5
190.09892	1.5
191.10678	58.8
203.10669	3.0
205.12250	21.8
206.12666	0.8
217.12241	1.9
219.13799	1.3
231.13750	0.8
257.15369	0.7
270.05203	0.8
279.26743	0.8
285.07660	1.0
291.26804	0.8
315.57620	0.7
365.54831	0.7
372.15686	0.7
411.32629	2.3
415.10223	1.0
429.33884	7.2
447.25946	1.0
448.15240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68790	0.6
53.03930	0.9
55.05518	4.1
57.03440	1.3
57.07071	1.1
67.05508	8.6
69.03429	1.5
69.07072	4.1
69.24622	5.7
71.04978	0.6
79.05505	4.5
80.85519	0.6
81.03423	1.9
81.07064	8.7
83.04980	1.5
83.08619	2.4
85.02914	0.8
85.06544	1.0
91.05479	4.5
93.07065	5.6
95.04988	1.5
95.08614	11.4
97.02915	0.9
97.10178	1.2
98.21484	1.0
105.07031	5.9
106.03783	0.6
107.04978	1.3
107.08595	2.8
109.06514	1.1
109.10160	3.1
111.04448	0.8
117.07043	1.8
119.08574	2.0
121.02870	0.6
121.06496	1.2
121.10168	2.1
123.08072	10.9
123.11701	4.3
125.09657	1.4
129.07004	1.7
131.08578	2.0
133.10147	1.9
135.08054	2.3
135.11668	1.8
137.06024	0.7
137.13281	1.3
141.07063	0.9
143.08607	0.9
145.06537	0.7
145.10136	2.1
147.11729	1.6
149.02377	2.9
149.13266	1.0
151.07555	100.0
153.12758	1.4
155.14325	0.7
157.10182	0.8
159.11641	1.0
161.09628	1.9
163.11172	0.7
165.09132	1.4
166.09503	0.9
167.07066	1.3
171.08043	0.7
171.11667	0.8
173.09656	0.8
175.11223	1.5
176.23820	0.7
177.09119	2.9
189.09200	0.7
189.12766	1.0
191.10696	12.3
193.12291	1.5
197.13432	0.7
199.11198	1.9
203.10655	1.9
205.12216	5.9
259.20325	0.6
261.18573	0.7
285.18536	1.5
303.19571	2.9
337.25262	0.7
355.22620	0.9
355.26596	1.0
411.32425	1.2
429.33826	4.7
447.30688	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.05518	2.7
57.07066	1.0
67.05511	6.3
69.03429	1.6
69.07080	3.7
71.08611	0.5
71.50513	0.4
79.05495	2.4
80.00209	0.4
81.03425	0.8
81.07056	7.0
83.04988	1.2
83.08611	1.7
85.06536	1.1
88.85328	0.4
91.05485	1.5
92.55022	0.4
93.07063	2.9
95.04987	0.8
95.08613	10.4
97.02932	0.5
97.10172	1.1
99.08098	0.7
105.07032	2.8
107.04955	0.4
107.08582	1.5
108.05763	0.7
109.06523	0.6
109.10149	2.9
111.04445	1.0
111.11736	0.5
119.08580	1.1
121.06514	1.1
121.10156	1.8
123.04477	0.5
123.08071	9.7
123.11695	2.2
125.09621	0.8
127.03934	0.4
131.08575	0.7
133.10181	0.9
135.08066	3.0
135.11711	1.5
137.05972	0.9
137.13286	1.3
145.10136	1.0
147.08080	0.6
147.11690	0.8
149.02298	1.0
149.09630	0.8
149.13258	1.7
151.07553	100.0
152.07877	2.0
153.05458	0.7
159.08015	0.4
159.11710	0.8
161.09660	1.1
161.13266	0.5
163.07541	0.6
163.11203	1.5
165.09152	0.7
173.09682	1.1
175.11214	1.5
176.08353	1.2
177.09131	5.6
184.56282	0.4
187.11171	0.9
189.09119	1.3
189.12758	1.4
190.09860	0.4
191.10686	22.1
192.10962	0.6
199.11168	1.4
203.10687	1.7
205.12253	8.2
209.19164	0.4
213.12500	0.4
215.10677	0.4
215.14375	0.7
217.12265	1.2
219.13794	0.7
229.12228	0.5
231.13777	1.3
285.18716	0.6
291.26758	0.6
303.19571	1.6
309.27673	0.5
411.32669	1.3
429.33905	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	447.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.4
55.05500	11.8
57.03436	2.5
57.07076	6.7
61.19757	2.7
67.05510	17.9
69.03431	2.6
69.07065	10.2
69.88649	13.4
71.04981	3.1
79.05489	14.8
80.82394	2.3
81.03425	13.3
81.07062	18.6
83.04974	5.8
83.08624	7.5
85.06543	4.0
87.76889	2.2
91.05473	14.8
91.06924	2.5
93.07063	12.8
95.04971	8.2
95.08601	20.5
97.02904	3.0
97.10121	2.4
98.21499	3.1
98.24866	2.4
105.07019	13.9
107.04933	4.3
107.08595	6.2
109.06504	2.9
109.10175	4.4
111.04430	8.0
111.08107	3.3
117.07031	5.5
119.08575	8.4
121.06477	3.2
121.10146	7.8
122.02734	4.5
123.08097	11.0
129.07011	5.3
131.08582	6.8
131.99377	4.5
133.10155	4.2
135.08037	8.3
135.11754	5.5
135.94113	2.7
145.10147	8.5
149.02380	10.0
149.09584	5.4
151.07559	90.5
152.98975	2.8
157.10178	4.7
159.08093	5.3
159.11725	3.1
163.11194	10.3
165.09070	3.1
165.12708	2.9
173.09669	5.4
175.11220	4.9
176.08350	7.0
177.09090	28.9
177.99892	3.3
190.09917	3.2
191.08943	5.0
191.10683	100.0
193.12364	5.8
203.14459	3.0
205.12241	42.4
223.02289	3.9
285.16983	4.6
304.06821	2.5
355.22626	4.4
411.32758	3.7
429.33890	5.3
447.27411	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	447.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68790	0.6
53.03930	0.9
55.05518	4.1
57.03440	1.3
57.07071	1.1
67.05508	8.6
69.03429	1.5
69.07072	4.1
69.24622	5.7
71.04978	0.6
79.05505	4.5
80.85519	0.6
81.03423	1.9
81.07064	8.7
83.04980	1.5
83.08619	2.4
85.02914	0.8
85.06544	1.0
91.05479	4.5
93.07065	5.6
95.04988	1.5
95.08614	11.4
97.02915	0.9
97.10178	1.2
98.21484	1.0
105.07031	5.9
106.03783	0.6
107.04978	1.3
107.08595	2.8
109.06514	1.1
109.10160	3.1
111.04448	0.8
117.07043	1.8
119.08574	2.0
121.02870	0.6
121.06496	1.2
121.10168	2.1
123.08072	10.9
123.11701	4.3
125.09657	1.4
129.07004	1.7
131.08578	2.0
133.10147	1.9
135.08054	2.3
135.11668	1.8
137.06024	0.7
137.13281	1.3
141.07063	0.9
143.08607	0.9
145.06537	0.7
145.10136	2.1
147.11729	1.6
149.02377	2.9
149.13266	1.0
151.07555	100.0
153.12758	1.4
155.14325	0.7
157.10182	0.8
159.11641	1.0
161.09628	1.9
163.11172	0.7
165.09132	1.4
166.09503	0.9
167.07066	1.3
171.08043	0.7
171.11667	0.8
173.09656	0.8
175.11223	1.5
176.23820	0.7
177.09119	2.9
189.09200	0.7
189.12766	1.0
191.10696	12.3
193.12291	1.5
197.13432	0.7
199.11198	1.9
203.10655	1.9
205.12216	5.9
259.20325	0.6
261.18573	0.7
285.18536	1.5
303.19571	2.9
337.25262	0.7
355.22620	0.9
355.26596	1.0
411.32425	1.2
429.33826	4.7
447.30688	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	20.3
57.03444	23.4
57.07058	5.0
64.09113	2.9
67.05177	4.7
67.05505	51.8
69.07075	20.3
70.63593	7.1
79.05495	28.7
81.06654	4.3
81.07063	49.2
83.08617	9.6
86.43192	3.0
88.72011	3.4
91.05484	15.7
93.07049	34.2
95.08604	42.1
97.06530	4.5
97.10194	4.6
98.21188	3.8
98.60935	3.1
98.98467	14.1
105.07016	13.4
107.08601	23.4
109.10151	21.0
109.13026	2.8
113.00023	100.0
116.35703	3.3
117.07009	6.2
119.08592	7.0
121.10154	16.2
123.11661	6.3
123.32204	2.7
131.08560	11.7
131.09543	3.4
133.10123	9.3
135.11687	12.3
137.00000	9.8
137.13307	3.4
145.10062	4.7
147.11671	10.2
149.13226	6.4
155.01041	9.4
161.13278	5.5
163.14819	3.7
169.02637	21.5
187.03647	12.7
243.21136	8.0
261.22131	24.3
311.25836	11.0
317.24744	11.9
335.25821	93.3
447.25089	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	447.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	21.6
57.03424	19.0
57.07071	10.5
67.05507	82.7
69.07064	25.5
69.20280	31.9
69.20712	52.5
74.14155	9.3
75.84830	7.8
79.05505	77.5
81.03416	39.6
81.07063	90.8
83.04953	14.1
83.08625	11.5
91.05482	44.5
93.07035	50.8
95.04970	21.6
95.08608	58.4
97.02907	9.3
97.10204	15.1
98.20800	18.3
105.07032	46.3
106.85498	8.5
107.04961	16.2
107.08595	39.2
109.10124	25.3
113.00030	100.0
117.07061	22.2
119.08569	28.8
121.06493	14.2
121.10121	20.0
123.11777	12.3
125.09579	9.2
129.07019	9.0
131.08577	35.1
133.10155	20.6
135.11694	28.7
137.51810	8.4
145.10138	25.4
147.11635	16.4
149.02315	45.1
149.13202	14.7
150.02699	10.2
163.14900	10.8
169.02589	42.8
187.03708	9.9
243.21152	30.1
261.22147	20.1
335.25876	95.7
362.98282	9.4
430.12091	15.8
447.27658	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.2
57.07059	0.8
67.05519	3.6
69.07066	1.7
70.81680	1.6
70.82015	1.1
79.05544	0.8
81.07056	1.6
83.08633	1.1
87.81956	0.7
90.01928	0.7
91.05488	1.4
93.07060	1.7
95.08628	1.6
97.10149	0.9
99.56495	0.7
105.07011	0.9
109.10159	4.4
110.10519	0.9
119.08576	3.6
121.06516	10.4
122.07298	1.3
123.08067	0.9
125.05939	0.7
135.08034	1.5
136.08850	13.8
137.08667	1.0
137.09637	12.4
142.06723	0.8
149.09598	1.9
151.07533	1.0
152.08356	1.0
163.11243	0.9
164.08353	33.7
165.09123	100.0
166.09445	4.9
177.09097	1.7
189.09103	1.7
191.10690	1.1
198.50186	0.7
203.10793	1.3
205.12260	9.2
239.18176	0.6
263.33759	0.7
319.24948	0.8
338.22360	0.8
373.14331	1.3
387.16000	1.6
388.16620	2.3
389.17557	2.3
401.17783	1.3
402.18259	1.9
403.19260	4.0
416.15884	2.9
417.16272	3.4
418.21323	2.0
419.22510	1.6
428.36530	55.8
429.37067	1.3
430.17355	1.2
431.18295	7.7
445.19812	0.7
446.20737	40.6
446.37582	29.9
447.21664	5.1
447.37726	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71442	0.6
53.03913	0.9
55.05503	0.7
56.05008	0.6
57.03411	1.0
59.04999	8.9
61.02909	1.7
67.05489	1.2
69.03429	4.2
69.07052	1.1
70.06582	3.3
71.01323	0.7
71.04978	0.9
71.50362	0.9
72.04455	0.7
72.08142	0.9
73.02924	1.0
74.06024	0.8
79.05446	1.4
81.03382	1.8
81.07041	1.7
84.08133	1.4
85.02911	8.0
86.06049	0.6
86.09709	2.9
87.04434	1.7
89.05582	0.5
89.06033	4.9
90.66870	0.5
91.05398	0.7
93.07042	3.2
95.08595	1.7
96.04479	1.1
97.02879	3.6
99.04431	1.1
103.07548	0.8
107.08601	1.0
108.08106	2.6
109.02885	1.1
110.05995	0.7
112.07514	0.6
114.05524	1.5
116.03415	1.2
117.09132	1.1
120.04443	1.1
121.02845	0.7
121.06482	0.9
121.08873	1.6
122.06036	0.7
122.09679	3.0
123.10465	0.9
127.03896	2.1
133.08575	2.1
134.06027	0.9
135.11703	1.6
136.07579	1.0
136.11226	9.2
137.12027	0.9
137.13179	1.2
138.05502	1.0
138.09123	0.9
139.03864	1.1
150.12758	1.9
151.09631	4.6
151.13531	2.0
152.07158	1.0
153.01794	2.8
154.05009	0.8
156.06575	0.9
163.03946	0.7
164.14383	6.2
165.15065	2.2
166.15892	2.3
168.06596	7.9
172.09622	1.1
175.08669	2.3
184.09660	1.2
186.11279	1.2
194.15427	8.7
196.09747	1.4
198.11282	1.6
209.13864	1.4
210.11279	3.2
212.12817	1.2
224.16505	1.2
238.14395	3.2
240.15950	100.0
241.16405	1.2
242.17506	3.6
248.11038	1.1
267.18079	7.8
284.18585	12.0
294.50021	0.6
316.97903	0.6
330.11813	1.3
402.21268	41.9
403.21588	1.0
446.23886	91.4
447.24316	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	446.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52347	0.9
59.04996	7.6
64.93822	0.9
69.03431	1.4
70.06586	2.3
70.33062	2.0
70.33466	1.8
72.08154	2.1
73.06548	1.6
79.05487	1.5
81.03389	0.9
82.05415	0.8
86.09699	3.0
87.04475	4.7
89.06034	100.0
91.05466	1.5
93.07078	1.6
97.02896	1.2
100.82971	1.0
103.07608	1.7
105.07047	1.2
107.07040	1.4
107.08580	1.4
109.99413	1.0
120.41609	0.9
121.06500	2.7
123.04408	1.2
124.03962	1.5
124.60427	1.0
131.07068	1.8
133.08604	56.1
139.03917	4.3
149.02370	3.3
153.01823	2.0
157.08574	1.0
177.05476	1.4
177.11255	19.6
182.10303	0.9
195.12309	1.3
208.98010	0.9
209.21269	0.9
221.13911	3.4
239.15019	1.2
244.13225	1.0
247.07890	2.2
248.08022	3.0
283.17538	3.3
284.09167	1.0
285.07736	1.4
327.20010	3.1
365.52734	1.2
371.22760	18.0
428.26471	1.0
429.26880	3.3
446.21817	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01875	9.7
55.05278	3.4
55.05516	46.9
57.07079	42.8
65.03926	3.3
67.05510	21.4
69.07072	87.9
70.63944	4.3
71.08638	30.2
79.05495	15.0
81.07064	64.9
83.04984	4.5
83.08624	49.1
85.10188	17.2
91.05471	8.0
93.07058	35.3
95.08609	45.7
95.77119	2.2
97.06513	7.7
97.10172	31.5
99.11745	2.9
99.74017	1.8
103.01234	2.0
105.07021	6.9
107.08599	27.2
109.06512	7.4
109.10164	28.5
111.08079	17.6
111.11723	24.2
119.08594	5.4
121.06483	5.7
121.10153	18.1
123.08064	9.2
123.11719	13.4
124.05181	5.9
125.06073	1.9
125.09651	5.6
125.13264	6.6
133.10130	2.2
135.11684	13.6
137.05977	8.3
137.09628	3.0
137.13211	6.2
139.07541	100.0
147.11649	3.9
149.09612	4.2
149.13239	14.7
151.07533	10.2
154.02789	1.8
159.11665	2.6
161.09694	2.4
161.13316	2.3
163.14836	13.2
165.05495	16.6
165.09125	24.5
173.13309	2.4
175.11151	2.8
177.09132	6.2
177.16368	6.4
179.10602	2.2
181.08597	3.0
189.12761	5.0
193.08653	18.5
193.12164	1.9
203.10553	3.4
217.12244	5.9
221.11766	4.7
231.13788	5.4
233.22736	2.7
289.28900	17.0
291.19568	2.2
307.29996	28.0
417.37152	5.2
427.35477	6.2
428.18677	1.9
445.36829	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	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98870	3.7
53.03938	4.1
55.01871	6.7
55.05309	3.5
55.05515	38.8
57.07078	78.3
67.05495	14.4
69.07072	59.4
69.86731	15.7
71.08632	51.2
79.05485	11.3
80.33236	3.6
81.07064	26.1
83.01337	15.6
83.04964	5.5
83.08617	46.3
85.10183	28.0
91.05475	13.4
93.07047	12.2
95.08623	25.3
97.02889	5.8
97.10171	25.0
99.04456	6.5
105.07079	8.5
107.08601	14.1
109.06512	64.7
109.10178	17.6
111.11701	14.6
117.07036	6.6
119.08577	14.8
121.10127	9.8
123.08055	10.7
123.11707	8.8
131.08577	16.3
133.10120	11.3
135.08064	15.9
135.11714	6.3
137.05981	100.0
137.09590	8.8
139.07576	24.3
145.10144	7.5
147.11682	10.8
149.05960	4.5
149.09605	11.1
151.07555	43.8
157.10114	10.2
159.08070	5.1
161.09607	16.2
161.13278	7.0
163.07559	8.3
163.11162	7.5
165.09099	36.1
171.11708	6.4
173.09625	9.0
173.13202	5.0
174.10431	5.1
175.11162	27.0
175.14809	3.7
177.09128	16.2
179.07051	4.4
179.10678	16.3
185.13310	6.1
186.71913	3.9
189.09061	5.8
189.12790	16.0
191.10654	9.3
193.12231	14.2
203.14331	10.1
205.12125	5.1
207.13782	18.3
217.12241	6.1
217.15857	8.0
221.15404	13.4
231.13896	9.2
231.17334	4.3
235.16920	6.8
249.18588	7.2
259.20541	8.4
263.20044	12.3
277.21619	11.2
283.25867	3.7
291.23276	5.4
305.24518	5.3
347.29453	6.7
361.30902	3.5
385.34735	36.6
399.36307	25.5
403.35504	29.2
417.37186	59.3
427.35977	21.7
435.19510	3.8
445.36957	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	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.0
55.01876	9.5
55.05515	42.2
57.07085	43.3
64.36691	2.8
65.03940	3.5
67.05513	32.6
69.07074	86.7
70.82046	5.6
71.08637	33.6
79.05504	16.3
81.07066	69.0
81.46786	2.7
83.04993	5.6
83.08625	53.7
85.10191	20.2
91.05493	9.4
93.07034	33.7
95.04951	4.6
95.08608	59.2
95.61115	3.0
97.06525	7.6
97.10168	34.0
99.04482	3.8
99.11768	3.1
105.07042	4.7
107.08591	32.4
109.06508	3.9
109.10174	27.5
111.08109	12.6
111.11728	20.8
119.08586	6.3
121.06537	6.7
121.10118	21.6
123.08077	9.2
123.11732	11.7
124.05217	7.2
125.13312	8.0
133.10133	5.8
135.11705	18.5
137.05989	11.3
137.13239	7.0
138.09007	3.7
139.07545	100.0
144.91176	3.2
145.10118	4.4
147.08054	3.4
147.11775	4.2
149.09662	7.3
149.13263	19.5
151.07576	13.6
153.12778	3.3
163.14836	16.5
164.08411	3.3
165.05490	13.0
165.09114	41.4
175.11192	4.1
177.09114	6.5
177.16455	4.8
181.08617	4.1
189.12790	6.8
193.08647	18.0
203.10692	9.2
217.12303	5.2
231.13736	6.4
233.22894	4.1
289.28827	17.2
307.30035	26.8
417.37357	7.9
427.35693	11.6
445.20419	5.0
445.36658	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01877	4.8
55.05514	23.4
57.07077	21.6
65.03899	1.1
67.05511	12.9
69.03414	1.3
69.07071	36.3
69.21456	5.6
69.21869	2.8
71.04985	1.5
71.08636	13.1
75.65210	0.8
77.03918	1.0
79.05495	9.2
81.07062	31.3
83.01311	0.9
83.04945	3.0
83.08162	1.5
83.08619	25.1
85.06531	1.4
85.10181	6.7
91.05476	6.1
93.06503	1.0
93.07046	17.7
95.04972	1.4
95.08612	23.4
97.06499	3.8
97.10178	14.9
98.21492	1.5
99.11705	1.3
105.07001	3.0
107.07988	1.2
107.08597	14.4
109.06495	3.1
109.10163	11.2
111.08082	6.4
111.11721	8.3
119.08546	3.6
120.02073	1.0
121.06512	4.5
121.10150	8.2
122.07255	1.0
123.08042	3.7
123.11739	5.6
124.05174	2.9
125.05943	0.9
125.09609	1.2
125.13226	3.9
131.08565	1.1
133.10092	2.5
134.21907	0.9
135.08008	3.1
135.11693	8.3
136.08800	2.1
137.06003	5.1
137.09627	5.7
137.13240	2.3
139.07541	43.2
143.08521	1.0
147.11678	1.5
149.09601	6.1
149.13263	6.5
151.07559	6.6
151.14821	1.0
152.08328	0.8
157.10167	1.1
159.11717	0.9
160.08864	0.9
163.11157	3.4
163.14803	5.9
164.08334	2.9
165.05489	6.3
165.09120	51.5
173.09592	1.7
175.11130	3.5
177.09113	4.2
177.16362	1.9
179.10664	1.5
181.08511	1.4
187.11221	1.2
189.09138	1.3
189.12727	2.0
191.10600	1.5
193.08646	6.7
201.12637	0.9
203.10719	5.5
203.14250	0.9
205.12198	3.5
217.12212	2.2
219.13741	1.2
219.20937	1.4
221.11595	1.7
231.13742	2.0
233.22585	1.4
289.28857	9.0
305.20868	1.0
307.29962	10.3
359.14478	0.9
371.13129	1.2
372.13745	1.8
373.14435	1.1
385.14572	1.5
386.14868	2.7
387.05087	1.0
387.16077	8.1
388.16476	1.2
399.36298	1.5
400.12820	1.6
401.13022	1.5
401.18066	6.2
402.18103	2.5
409.34631	1.1
414.14365	2.1
415.15283	11.4
415.19638	0.9
416.15747	2.6
416.20236	2.1
417.20474	2.9
417.37234	2.4
427.35413	4.2
429.16779	6.5
430.17615	12.7
431.18057	1.8
444.19839	1.1
445.19989	100.0
445.36710	22.0
446.20816	11.5
446.37576	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	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44578	3.2
55.01887	7.6
55.05512	39.5
57.06831	5.1
57.07079	56.1
60.35926	3.3
67.05510	16.1
69.07072	72.2
69.32662	7.8
69.33077	21.5
71.08641	30.6
79.05489	13.6
81.07059	61.1
83.04974	4.1
83.08627	55.1
85.10167	14.0
91.05450	8.2
93.07037	34.7
95.08611	57.6
97.06506	3.8
97.10175	33.3
98.21542	5.4
107.08611	30.3
109.10165	23.8
111.08081	12.7
111.11721	15.6
119.08545	5.3
119.63074	3.3
121.06504	5.5
121.10152	17.4
123.08059	8.9
123.11678	9.9
124.05230	7.9
125.13273	4.6
133.10144	7.4
135.11658	9.2
137.05963	9.1
137.13187	4.6
139.07550	100.0
147.11711	5.3
149.05975	3.5
149.09570	3.8
149.13237	15.5
151.07506	10.7
155.03679	3.3
163.07573	4.2
163.14812	7.2
165.05476	13.4
165.09090	23.2
175.11188	7.4
177.09180	6.7
191.17937	3.6
193.08643	18.2
203.10631	6.2
231.13879	5.2
284.41495	3.8
289.28864	15.3
307.29919	20.4
399.36075	4.1
417.37469	4.2
427.35626	3.6
445.36758	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01884	0.6
55.05512	8.7
57.03464	0.4
57.07078	1.5
59.04999	1.0
60.36737	0.4
67.05510	6.4
69.03436	1.5
69.07071	65.5
69.41914	3.4
70.07397	1.0
71.04992	0.8
79.05510	2.5
81.03463	0.4
81.07057	11.6
83.04989	0.9
83.08629	2.6
85.06555	1.0
91.05491	1.5
93.07060	4.9
95.05025	0.5
95.08614	11.8
97.06553	3.0
97.10181	1.2
98.21506	0.8
99.08086	2.7
105.07035	2.8
107.04984	0.7
107.08587	3.0
108.05756	0.7
109.06557	0.6
109.10159	6.9
109.10853	0.6
111.04482	1.1
111.08085	0.9
111.11724	20.6
119.08595	0.9
120.59182	0.5
121.06513	1.2
121.10140	4.6
123.04421	0.5
123.08067	8.2
123.11701	2.5
125.09633	0.6
125.13216	0.5
127.11206	1.2
129.05179	0.4
129.12816	0.8
131.08620	0.6
133.10103	0.9
135.08078	2.4
135.11703	2.0
137.05992	1.8
137.13252	0.6
139.11185	16.5
145.10141	1.0
145.18961	0.4
147.11708	0.7
149.09627	0.9
149.13283	0.7
151.07547	100.0
152.07820	1.0
153.12744	2.7
154.20076	0.5
155.10643	0.4
157.10185	0.5
157.12257	5.1
159.08076	0.7
159.11728	1.0
160.08810	0.6
161.09625	1.9
161.13278	0.5
163.07622	0.5
163.11197	1.1
165.09125	2.2
171.13858	0.4
173.09633	1.1
175.11179	2.6
176.08310	1.3
177.09116	6.1
183.01080	0.4
187.11153	1.2
189.09114	1.2
189.12738	1.2
191.10684	14.6
193.08618	1.5
199.11258	0.6
203.10753	2.0
205.12239	4.0
215.10573	0.6
217.12376	0.5
229.12309	0.6
231.13873	0.7
239.49361	0.5
246.07692	1.8
247.07950	2.5
259.17029	1.0
263.23700	1.1
277.18048	0.8
277.25342	0.7
285.18588	0.5
295.26456	0.8
303.19382	0.7
317.21082	0.5
409.31131	0.7
427.32257	2.4
445.24918	0.4
445.33472	3.0
467.01828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.01855	0.4
55.05510	1.7
57.07075	1.3
67.05509	5.6
69.03089	0.3
69.03434	4.2
69.06725	0.2
69.07075	1.7
69.16838	0.5
69.17262	1.3
73.04755	0.3
79.05499	1.7
79.18810	0.1
81.06592	0.3
81.07065	4.9
83.04990	0.9
83.08624	0.6
85.06548	6.7
87.00833	0.2
91.05444	0.9
93.07050	2.3
95.04967	0.5
95.08614	8.8
97.02925	0.2
97.10151	0.4
98.20721	0.3
99.08094	1.9
103.05459	0.2
105.07047	2.1
107.04949	0.4
107.08614	1.8
108.05734	0.8
109.06503	0.4
109.10165	2.8
111.04439	0.8
111.08073	0.7
111.11720	0.2
117.07008	0.3
119.08564	0.6
121.06490	0.4
121.10116	1.2
123.04437	0.3
123.08079	9.5
123.11690	1.2
125.09637	3.9
129.06950	0.2
131.08585	0.4
133.06569	0.2
133.10123	0.6
134.83627	0.2
135.08057	1.8
135.11664	1.0
137.05998	0.5
137.09570	0.2
137.13280	0.4
139.03902	0.3
139.11172	0.4
145.10135	0.8
147.08130	0.2
147.11717	0.5
149.09634	0.8
149.13245	0.7
151.07552	100.0
152.07895	1.5
159.08049	0.5
159.11693	0.6
161.09657	0.2
161.13249	0.2
163.07625	0.4
163.11212	1.0
163.14827	0.4
165.09090	1.1
173.09656	0.8
175.07610	0.3
175.11169	0.4
176.08295	0.8
177.09117	4.5
177.16313	0.2
187.11237	0.4
188.08348	0.2
189.09145	0.6
189.12779	0.2
190.09886	0.4
191.10678	15.8
191.17967	0.2
192.11104	0.2
203.10654	0.9
205.12260	7.1
206.12549	0.2
215.10652	0.2
217.12270	0.6
219.13850	0.7
221.11655	1.1
229.15865	0.2
231.13799	0.4
235.13222	0.2
245.15311	0.3
246.07579	1.7
247.07986	1.6
257.15359	0.2
259.16995	0.2
277.25360	0.3
295.26312	3.4
299.20096	0.2
307.26257	0.9
409.31143	0.7
410.74191	0.2
427.32101	3.2
445.33206	5.6
446.33585	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14882	0.3
53.03948	0.9
55.01870	0.7
55.05512	2.6
57.07077	0.9
59.05000	0.5
67.05182	0.5
67.05511	6.8
69.03435	3.3
69.07076	5.1
70.79142	0.9
71.05001	0.7
73.04750	0.5
79.05498	1.3
80.24899	0.3
81.03424	0.5
81.07063	7.8
83.04985	1.2
83.08628	1.3
85.06537	1.6
91.05485	1.3
93.07047	3.5
95.04951	0.6
95.08619	12.8
97.06539	0.6
97.10187	0.7
99.08077	0.7
105.07038	3.1
107.04964	0.5
107.08603	2.3
108.05802	0.8
109.06487	0.6
109.10162	5.3
111.04449	1.0
111.08086	0.5
111.11707	0.5
116.51035	0.3
119.08593	1.1
121.06504	0.7
121.10152	1.6
123.04513	0.4
123.08087	11.1
123.11722	3.7
125.09639	7.9
127.11166	0.6
129.26241	0.4
131.08569	1.0
133.10138	0.7
135.08092	2.1
135.11696	2.0
137.05995	0.7
137.13284	1.2
139.11157	0.4
143.08566	0.5
145.10132	1.1
147.07976	0.5
147.11667	0.8
147.90143	0.3
149.09610	1.0
149.13292	1.1
151.07556	100.0
152.07896	1.4
153.12743	1.8
154.52264	0.4
159.08060	0.9
159.11696	1.0
161.09584	1.0
162.06786	0.3
163.07567	0.9
163.11169	1.7
163.14847	0.5
165.09172	1.5
165.12738	0.4
169.12296	0.5
173.09682	1.5
173.13039	0.3
175.07486	0.8
175.11176	1.1
176.08353	1.4
177.09132	9.3
187.11183	0.9
187.59735	0.4
188.08345	0.7
189.09167	1.3
189.12761	0.7
190.09908	0.9
191.10687	26.2
199.11209	1.2
201.12848	0.4
202.09891	0.4
203.10718	2.6
205.12267	9.8
215.10712	0.4
217.12305	1.3
219.13866	0.6
231.13838	0.6
237.22089	0.7
246.07614	1.6
247.07977	2.2
257.15366	0.6
259.16891	2.7
277.25250	1.3
285.18573	1.1
294.12656	0.3
295.26285	2.7
303.19571	1.5
307.26126	0.6
334.78293	0.3
359.02884	0.5
409.30869	1.0
413.08920	0.7
427.32373	3.7
445.33459	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	445.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01855	0.2
55.05513	3.9
55.40490	0.2
57.03447	0.5
57.07060	0.7
57.38925	0.2
59.04980	0.5
65.03944	0.2
67.05507	6.1
68.66330	0.2
69.03433	1.4
69.07072	18.8
70.07426	0.4
71.04966	0.2
73.04757	0.2
74.21939	0.2
79.05489	2.0
81.07060	10.4
83.04974	0.6
83.08628	1.3
85.06087	0.2
85.06533	1.3
91.05499	1.0
93.07044	3.2
95.04967	0.7
95.08613	9.3
97.06522	1.0
97.10159	0.9
98.20786	0.5
99.07488	0.4
99.08100	4.9
105.07034	2.6
107.08606	1.9
108.05769	0.7
109.06505	0.5
109.09470	0.4
109.10161	4.3
111.04437	0.9
111.08076	0.3
111.11724	5.9
112.12011	0.2
117.06990	0.3
119.08586	1.0
121.06496	0.7
121.10133	2.0
123.04427	0.4
123.08076	10.3
123.11701	1.6
125.09602	0.7
127.11215	0.5
131.08574	0.6
133.10118	0.4
135.08083	2.8
135.11700	1.4
137.05969	0.5
139.11185	3.7
145.10141	0.7
147.11699	0.7
149.09610	0.5
149.13278	0.7
151.07547	100.0
152.07925	1.5
153.12753	0.9
157.12212	1.3
159.08044	0.5
159.11694	0.7
161.09645	1.8
162.06755	0.3
163.07538	0.3
163.11140	1.1
163.14825	0.5
165.09122	1.0
172.08936	0.4
173.09581	1.1
173.13281	0.2
175.07558	0.4
175.11205	2.6
176.08292	1.0
177.09128	6.0
177.12743	0.4
177.16373	0.3
187.11214	1.3
189.09099	0.9
189.12750	2.5
191.10675	16.6
192.11032	0.4
193.08624	0.4
199.11180	0.7
201.12694	0.3
203.10719	1.6
205.12241	5.7
213.12880	0.2
215.10573	0.4
215.14259	0.3
217.12233	0.5
218.58969	0.3
219.13824	0.5
231.13860	0.3
246.07559	1.1
247.07906	1.7
259.17096	0.3
263.23682	0.5
273.18454	0.6
277.25208	0.6
289.25110	0.3
295.26379	1.5
299.20099	0.3
301.17932	0.2
303.19626	0.5
307.26447	0.6
317.21164	0.8
359.02875	0.2
409.30984	0.8
427.32101	3.5
445.33188	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	445.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.01875	3.0
55.05513	8.3
57.03435	5.7
65.03947	2.6
67.05513	20.8
69.07067	7.6
69.69501	8.0
69.69919	3.7
70.06596	3.1
70.88319	1.6
71.04975	2.7
73.04774	2.1
79.05502	19.8
81.03409	3.1
81.07067	25.4
83.08616	4.2
91.05475	26.5
93.07048	23.6
95.08619	19.2
97.06544	2.0
98.21423	2.0
105.07054	24.0
107.08604	15.5
109.10168	5.4
111.08150	1.8
113.00027	100.0
115.05453	2.1
117.07038	10.9
119.08593	29.8
121.06474	2.5
121.10157	9.6
123.04461	2.0
123.08100	2.0
123.11742	1.8
125.09620	2.8
128.06276	2.0
129.07016	10.4
131.08583	19.7
133.10146	19.9
135.11676	9.3
143.08531	8.3
145.10127	13.4
147.11694	21.5
149.13266	5.4
151.07607	2.0
155.07004	1.8
155.08542	4.2
157.10143	8.4
159.11664	10.9
161.13275	16.8
163.14772	2.2
165.09171	3.5
169.02634	17.2
169.10117	2.3
171.11676	9.8
173.13307	8.8
175.14871	15.9
181.10092	2.9
185.13278	5.5
187.03709	14.0
187.14859	3.8
189.12720	2.3
195.11687	1.8
199.14835	3.8
213.16391	2.4
215.17934	3.7
217.19481	4.7
223.14964	1.8
231.21054	4.8
241.19534	28.9
243.21028	2.7
246.07602	5.7
247.07990	5.1
259.20615	31.7
315.23062	3.6
333.00751	1.6
333.24274	39.9
333.28256	2.3
334.24408	1.7
335.23840	3.0
353.24753	5.7
359.02841	3.3
371.25705	2.5
389.26987	2.3
427.22418	7.3
427.28320	3.6
445.29556	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	445.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01867	3.1
55.05503	7.7
56.89905	1.8
57.03445	12.0
57.07075	2.3
57.70928	1.7
67.05160	3.1
67.05504	20.7
67.05849	2.9
69.07070	8.3
69.72150	10.5
71.04938	2.3
79.05499	23.7
81.03409	2.5
81.07058	32.7
83.04968	2.0
83.08607	4.9
91.05482	28.4
93.07046	30.1
95.08612	20.2
97.06518	2.8
98.21452	1.7
105.04427	2.1
105.07046	25.6
107.08601	18.3
109.10178	5.2
113.00023	74.7
117.07003	12.3
119.08591	35.5
121.10139	12.7
123.07966	2.7
123.11742	2.5
129.05492	4.4
129.06989	6.6
131.08588	16.8
133.10149	20.7
135.11690	12.4
143.08572	7.1
145.10114	13.8
147.11653	17.9
149.09575	1.7
149.13200	8.7
151.07529	4.8
157.10080	6.7
159.11722	9.7
161.13260	23.9
163.11150	2.0
163.14842	5.3
169.02594	9.4
169.10150	2.2
171.11664	10.8
173.13293	14.0
175.11226	2.1
175.14880	15.8
185.13213	9.1
187.03691	11.1
187.14842	1.8
189.12744	3.2
199.14787	4.4
215.17947	5.7
217.19510	5.9
231.21049	5.1
241.19519	37.4
243.21150	1.8
246.07562	2.9
247.08022	4.6
259.20578	36.6
277.21661	2.2
288.62457	2.1
315.23352	3.7
333.24265	100.0
334.24420	1.8
353.24750	2.7
359.03027	2.1
427.22549	2.0
445.29651	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	443.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10903	0.4
53.03944	0.9
55.01883	0.7
55.05520	3.2
55.05746	0.5
57.07081	0.6
59.05008	0.5
65.03939	0.9
67.05510	10.1
69.03429	4.9
69.07073	4.8
69.73392	1.0
69.73804	1.6
70.06597	1.4
71.04998	1.5
72.08161	1.1
73.11177	0.5
77.03913	0.5
79.05497	3.3
81.03420	1.0
81.07065	15.5
83.04974	1.7
83.08596	1.4
85.02911	1.0
85.06566	2.4
85.09132	0.5
91.05478	3.5
93.07052	6.3
95.04963	2.0
95.08617	12.9
97.02895	1.0
97.06535	1.5
97.10191	0.6
98.20779	1.0
99.08110	1.6
104.62195	0.4
105.07035	5.3
107.04948	0.7
107.08620	3.3
108.05733	0.6
109.06544	1.5
109.10162	14.1
111.04433	3.0
111.08109	1.0
111.11730	0.7
113.00043	0.5
117.07038	1.0
119.08567	3.2
120.08158	0.7
121.06509	1.8
121.10164	3.6
123.04432	5.2
123.08078	10.5
123.11727	8.3
124.04810	1.0
125.06100	0.5
125.09643	8.1
127.11198	1.4
129.07057	0.6
130.07843	0.6
131.08594	1.4
133.10187	2.4
135.04463	0.7
135.08086	4.1
135.11697	2.2
137.05989	1.4
137.09618	1.2
137.13293	1.4
139.03920	9.2
139.07529	0.5
139.11200	1.2
140.04216	2.3
143.08577	0.6
145.10141	2.6
147.11699	2.0
149.09621	2.2
149.13229	1.4
151.03987	5.2
151.07558	100.0
151.11145	1.5
152.04251	1.1
152.07965	1.1
153.01848	7.5
153.05467	0.9
153.09123	0.8
153.12718	1.0
154.02171	3.4
154.03275	0.6
155.10690	0.6
157.10120	0.9
158.07231	0.5
159.08052	0.9
159.11694	1.0
161.09610	1.6
161.13194	0.8
163.03920	1.0
163.07594	1.2
163.11194	2.6
163.14850	0.8
165.09090	3.2
165.12801	1.1
166.14828	0.6
167.07162	0.5
169.12292	1.7
171.08096	0.6
172.07617	1.6
173.09653	2.6
173.13309	0.7
175.07541	1.2
175.11218	1.5
176.08315	2.8
177.05524	1.0
177.09131	8.6
177.12663	0.7
181.04959	1.9
182.05206	0.6
184.07635	0.6
187.11256	0.7
187.14737	0.6
188.08345	0.7
189.09140	3.8
189.12807	1.4
189.16422	0.6
190.12253	0.7
191.10693	32.7
192.10977	0.5
193.08647	0.7
196.07675	0.5
199.06155	0.6
199.11133	1.0
200.07086	2.1
201.05647	0.5
201.07361	1.4
201.09094	0.9
203.10680	3.7
205.12248	8.3
212.07188	0.7
213.07466	0.8
215.07036	0.5
215.10699	1.5
215.14253	0.4
215.18172	0.5
217.07350	2.6
217.12299	1.3
218.07817	3.9
219.08496	1.3
224.07021	0.9
225.07465	1.0
229.12299	0.9
230.08003	1.2
231.08455	1.7
231.13850	2.0
237.25900	0.5
242.08089	1.9
243.08546	2.6
246.07639	13.9
259.16846	0.7
260.08963	1.4
271.16830	0.8
285.18600	1.5
293.24765	1.3
303.19687	2.3
305.24820	0.6
306.03320	1.1
425.30725	3.3
443.11670	9.0
443.31952	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	443.316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68779	0.5
55.05522	2.5
57.07088	0.6
57.78214	0.4
59.04992	0.6
67.05508	7.7
69.03424	2.1
69.07076	3.9
70.06583	0.6
71.05036	1.3
72.08152	2.5
77.03917	0.5
77.64224	0.5
79.05498	2.8
81.07065	8.5
83.04958	0.9
83.08620	1.2
84.08136	0.6
85.06539	1.8
91.05477	2.3
93.07037	5.3
95.04957	1.2
95.08612	11.8
97.06536	1.2
97.10204	0.7
99.08099	1.1
100.67037	0.4
105.06483	0.5
105.07053	4.5
107.08607	3.3
108.05719	0.8
109.06493	1.2
109.10168	4.9
111.04444	1.7
111.08078	0.6
111.11729	0.9
117.07044	0.7
119.08585	3.5
121.06520	1.9
121.10156	3.9
123.04443	1.9
123.07203	0.9
123.08070	10.1
123.11717	2.0
125.09641	2.1
127.11170	1.4
129.06940	0.8
130.12300	1.4
131.08592	1.4
133.06447	0.5
133.10124	1.4
134.25899	0.5
135.08089	2.2
135.11697	2.1
137.05977	0.6
137.09618	3.3
137.13278	1.3
139.03912	3.2
139.07475	0.6
139.11160	1.7
140.04263	1.0
144.09291	0.5
145.10133	1.9
147.11697	1.5
149.09622	1.9
149.13258	1.2
151.03923	2.0
151.07552	100.0
152.07924	1.4
153.01874	4.3
153.12709	0.8
154.02179	1.6
157.10141	0.9
159.08090	0.7
159.11719	1.4
161.09680	0.9
161.13281	1.3
163.07573	0.7
163.11171	1.2
163.14813	0.7
165.09122	26.4
165.12810	0.9
167.07022	0.9
171.11723	0.5
173.09645	1.7
173.13274	0.8
174.06741	0.5
175.11227	1.5
175.14850	1.5
176.08313	0.6
177.09109	6.6
177.16310	0.5
187.11203	1.1
188.08342	0.6
189.09137	1.6
189.12811	1.0
189.16408	1.4
191.10687	20.9
199.11296	0.7
200.07024	0.6
201.16383	0.9
203.10681	3.3
205.12233	9.1
213.12723	0.7
215.10687	1.6
215.14322	0.5
217.07378	1.3
217.12312	1.9
218.07820	1.0
219.13948	0.7
230.08058	0.6
231.08514	0.6
231.13814	1.8
235.95651	0.5
239.14653	0.5
242.07919	0.6
246.07629	5.1
259.17093	1.0
261.18506	0.9
271.16879	1.6
272.08197	0.5
275.23688	1.0
285.18442	0.5
289.18008	1.8
293.24808	1.1
305.24655	0.7
370.81769	0.5
425.30597	2.5
443.11639	4.0
443.31555	6.2
443.38379	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	443.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.1
55.01862	1.6
55.05510	1.2
65.03933	1.2
67.05495	1.3
68.99773	1.1
69.03422	1.5
70.06598	3.2
70.79361	1.1
70.79685	1.0
72.08159	4.1
77.03921	1.1
79.01867	2.0
79.05502	1.6
81.03409	1.1
81.07077	0.9
83.04976	1.3
85.02934	1.9
86.09709	2.2
91.05473	3.4
93.03414	0.6
93.07041	1.8
94.04183	1.9
95.04964	2.1
97.02901	1.0
98.06055	5.3
100.72764	0.7
103.05492	0.7
104.21591	0.8
105.07035	1.3
107.04943	0.8
109.06553	1.2
111.04435	3.7
115.08701	8.1
119.04946	2.5
121.06509	4.3
122.03648	2.3
122.06844	1.9
123.04440	60.0
124.04793	1.3
125.02345	1.1
125.06013	1.7
130.04187	1.5
133.06477	1.0
136.07581	0.7
136.47235	0.6
137.05992	47.7
139.03915	56.7
140.04259	1.9
143.03401	3.1
145.06474	2.1
146.03639	0.9
147.04408	7.0
151.03926	11.0
151.05095	1.0
151.07484	0.7
153.01842	47.0
153.02895	2.5
154.02176	14.2
158.03642	1.7
161.06003	4.7
162.06789	2.6
163.03877	1.2
165.05495	3.3
167.62082	0.7
173.06010	5.1
177.06924	0.8
178.07846	1.2
179.00690	0.7
181.04942	1.1
186.03123	3.2
189.05502	1.4
189.07054	2.6
197.07729	0.7
200.07130	0.8
201.05493	48.4
203.08618	0.9
205.06487	4.4
206.07263	4.4
207.06517	0.9
213.05510	6.4
214.06189	0.9
217.06920	2.7
218.07620	4.7
219.08257	2.2
221.05907	0.9
221.09674	0.8
222.06787	1.1
223.07504	1.7
225.07407	0.9
230.08058	1.6
231.06544	2.9
231.08418	1.9
233.05980	5.4
234.06783	16.1
235.07544	5.2
237.05418	0.9
237.09169	1.9
242.08124	0.9
243.08521	1.6
244.05243	1.0
245.05945	3.2
246.07678	8.0
248.08395	1.3
249.05370	1.1
249.09117	5.2
250.06306	3.2
251.07021	2.9
259.07764	1.2
261.05444	3.4
262.06274	20.6
263.07043	3.8
263.16428	1.6
264.07761	1.1
265.08630	5.7
266.09415	1.9
267.10089	0.9
273.05185	4.6
273.07742	2.1
274.06284	2.9
275.07153	1.5
276.07962	2.2
277.08588	20.5
278.05695	1.3
278.08734	0.8
279.06531	2.2
280.07294	1.0
287.07037	2.5
289.05072	1.6
290.05753	30.9
291.05917	1.1
291.08835	2.4
292.07251	2.7
293.08084	5.3
294.08890	4.5
295.09598	2.4
304.07370	2.1
305.02658	1.9
305.08093	47.3
306.03256	5.5
306.08807	1.9
307.06110	2.4
307.09686	5.9
309.11206	2.6
319.09726	4.4
322.08243	4.7
325.10712	13.4
337.10724	100.0
338.11014	2.3
355.11777	26.3
413.20691	3.0
425.21301	0.8
426.19073	1.6
443.11920	8.6
443.22342	11.9
443.29407	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
63.14561	1.2
67.05508	1.7
69.03436	1.7
69.47292	2.6
69.47688	8.5
70.06589	4.9
72.08170	7.9
75.91910	1.2
79.05499	1.3
85.02930	1.4
86.09721	6.4
89.06039	1.7
89.10801	5.0
91.05511	3.6
93.07055	1.9
94.04184	2.6
96.18288	1.2
97.02870	1.7
98.20718	1.4
103.03944	2.6
107.04955	2.7
115.05470	1.6
115.08738	2.1
119.04971	1.8
121.06521	8.9
122.03667	3.7
122.06862	5.3
123.04433	14.1
124.04762	1.8
127.03935	1.4
133.06554	1.6
137.05995	66.9
139.03922	16.3
140.04250	4.3
143.03397	2.5
145.06523	2.6
146.03651	1.7
147.04413	3.9
151.03929	13.6
153.01849	60.8
153.02831	2.3
153.05496	1.6
154.02187	20.2
154.03343	2.4
158.03635	1.4
161.06007	5.3
162.06761	1.9
163.04037	1.4
165.05544	1.9
166.05878	1.4
166.08655	2.4
172.07561	2.7
173.06026	5.6
175.03976	1.7
175.07468	1.5
178.07762	1.8
179.06990	1.6
181.05008	1.8
186.03099	3.5
187.56645	1.2
189.07030	4.0
200.07024	3.4
201.05498	61.0
202.07732	1.4
205.06483	6.6
206.07320	4.9
213.05513	8.3
213.07446	1.4
217.07074	3.6
218.07594	7.1
219.08150	3.6
220.05174	1.6
222.06839	2.0
230.07988	2.8
230.50507	1.4
231.06520	3.5
231.08417	4.3
233.05991	6.2
234.06750	20.0
235.07611	3.6
237.09097	2.6
242.08153	2.6
243.08528	3.5
245.06067	5.9
246.07690	21.6
247.07588	2.3
248.08316	2.2
249.09109	8.0
250.06250	4.3
251.07057	5.6
259.07611	3.0
260.08875	2.0
261.05487	4.3
261.09448	2.4
262.06244	20.9
263.06992	5.0
264.07849	2.4
265.08661	10.3
266.09140	2.3
273.05472	5.5
274.06219	2.1
276.07806	2.4
277.08646	24.0
278.06024	1.6
278.09213	1.8
279.06580	4.2
280.07480	2.4
281.11902	1.5
287.07166	3.1
290.05765	34.0
291.06796	1.9
291.10187	1.5
292.07230	5.2
293.08038	9.5
294.08862	5.2
295.09674	3.5
297.11069	1.9
304.07468	2.1
305.02850	4.1
305.08115	55.5
306.03333	9.7
306.08600	2.3
307.06174	2.9
307.09537	11.8
309.11285	4.4
319.09692	5.6
322.08429	6.9
325.10745	38.2
337.10739	100.0
338.11151	3.2
355.11807	22.1
396.18414	1.6
413.15479	2.3
413.20721	36.6
425.20505	1.9
426.19174	2.5
443.11612	15.9
443.16302	2.4
443.21844	15.7
443.29651	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	443.0974
Annotation	Catechin 4'-O-gallate
Peak:m/z	Relative Intensity
52.12831	0.5
53.00310	0.5
55.01871	2.5
56.07889	0.4
56.96557	1.9
64.93015	0.4
65.03941	1.5
67.05497	0.5
68.99793	5.8
69.03431	0.5
69.79762	2.5
72.08160	0.5
79.05495	0.6
82.10297	0.6
83.01403	0.4
83.04987	1.1
88.11284	0.8
91.05490	0.6
93.03418	0.9
93.31892	0.5
95.05004	0.5
97.02893	0.8
98.06032	0.5
98.97592	0.9
103.05487	0.7
107.04925	1.0
107.22140	0.4
109.02896	0.6
111.00797	2.6
111.04436	3.3
114.05541	0.5
115.05444	0.7
117.07040	0.6
119.04951	0.6
121.02866	2.5
121.06545	0.7
122.07179	1.3
123.04431	4.7
123.07941	1.1
124.04684	0.5
125.07822	0.4
127.03915	2.3
129.06949	0.5
131.04932	0.7
133.02905	0.6
135.04454	2.9
137.02345	0.5
137.05951	1.4
137.91829	0.4
139.03909	100.0
140.04240	1.8
141.06978	0.7
147.04369	2.1
149.02361	1.1
149.06009	1.0
151.03903	8.8
153.01859	1.2
155.04948	0.5
157.06480	1.5
159.04372	1.1
161.05971	0.9
163.03902	5.6
165.05475	2.4
167.03424	9.0
167.04738	0.5
169.06621	0.5
171.04422	0.6
173.05998	1.0
175.03917	5.7
177.05482	3.9
179.03403	12.4
181.04950	1.5
183.04449	1.3
185.05988	1.1
187.03934	1.8
189.05531	2.9
191.03409	16.2
193.04980	4.8
197.05991	1.7
199.03954	1.1
200.47380	0.5
201.05475	5.8
201.07259	0.8
203.03397	11.7
205.04951	3.2
209.30380	0.4
211.03896	1.0
213.05460	5.1
215.03421	0.9
217.05020	2.0
217.07169	0.6
218.07591	0.7
219.06502	0.6
225.05551	0.9
229.04959	8.5
230.05836	0.7
231.06549	3.7
233.04457	8.9
241.04979	1.5
243.06488	0.6
245.04468	9.5
246.07643	0.6
247.05980	0.6
251.05634	2.6
253.04916	1.0
253.11157	1.8
257.04456	18.2
258.05090	1.0
259.06137	1.1
260.06494	0.5
263.05447	3.5
269.04480	1.3
271.05963	3.2
271.12244	1.7
275.05515	27.4
281.04623	1.0
281.10779	0.7
287.05527	31.9
288.05841	0.7
297.09998	0.8
299.05527	17.9
300.05981	0.6
315.11215	0.6
317.06558	8.7
317.10159	0.7
393.94171	0.4
407.07544	2.7
425.08688	14.3
443.10602	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	442.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44642	0.2
51.02377	0.5
61.11494	0.2
62.84784	0.2
69.23808	1.2
69.24232	0.8
79.01846	1.8
84.11118	0.2
91.05474	0.5
93.07052	1.3
95.04991	0.3
97.02885	0.4
103.05466	0.6
107.01318	0.7
119.85777	0.2
121.06508	15.5
125.02327	1.5
139.03925	0.3
143.03381	3.1
145.16307	0.2
153.01831	100.0
153.02826	4.0
154.02162	0.9
176.14407	0.2
273.07632	0.3
288.13495	0.2
290.10373	0.5
299.42484	0.2
305.02911	19.3
408.88416	0.2
425.08823	0.7
442.11475	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0975
Annotation	(-)-Catechin gallate
Peak:m/z	Relative Intensity
51.02377	1.0
55.01861	1.3
57.48006	0.6
63.58176	0.6
67.05511	1.1
68.99793	1.7
69.03412	0.9
70.30003	2.3
73.44447	0.6
77.03922	1.1
77.64862	0.6
79.01852	3.7
83.04959	1.0
83.51128	0.7
84.32297	0.6
93.03429	0.8
95.04966	1.7
98.00917	0.7
105.03415	1.2
107.04963	2.0
111.00822	0.8
111.04413	3.9
115.08711	0.9
119.04945	1.6
121.06570	0.7
123.04436	100.0
124.04775	1.4
125.02335	0.8
137.05940	1.0
139.03911	80.7
140.04242	1.0
143.03400	2.0
147.04411	8.3
151.03899	10.6
153.01845	32.7
153.02924	2.4
154.02171	1.3
161.06001	1.4
163.03941	1.4
165.05508	5.3
182.54826	0.7
189.05493	0.9
191.13910	0.7
207.06592	1.0
255.06499	1.1
273.07608	5.7
291.08630	6.5
337.10736	0.8
443.12186	0.8
461.27908	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62243	0.9
53.03955	1.5
53.85990	1.0
55.01871	1.4
55.05516	57.9
55.62365	1.0
57.03443	18.0
57.07080	59.6
58.38911	1.1
59.05003	1.9
59.86306	1.0
61.25610	1.2
67.05512	22.7
69.07074	70.5
71.05008	1.9
71.06512	1.4
71.06850	1.6
71.08636	38.3
71.09214	1.6
73.06574	1.1
75.04484	1.6
77.93346	1.2
78.60612	1.2
79.05504	11.6
81.07062	32.7
83.04959	3.5
83.08626	45.4
85.06552	2.2
85.10187	22.4
87.08134	1.1
91.05490	2.2
93.07043	18.1
93.07578	1.9
95.08609	30.5
95.09175	2.3
97.06522	9.0
97.10178	33.6
99.08073	1.8
99.11729	1.7
101.06032	1.2
105.07036	1.6
107.08601	11.0
109.10171	16.1
111.08091	6.1
111.11718	11.6
113.13308	1.3
115.07590	1.9
119.08588	1.4
121.10159	13.7
123.11691	8.2
124.99094	1.0
125.09644	5.9
125.13255	2.6
129.09138	2.5
133.10155	1.6
135.11705	11.8
137.13248	4.2
139.11186	7.3
140.12073	1.0
143.10686	3.4
149.13281	9.4
150.38464	1.1
153.12715	5.5
157.12267	2.5
160.84453	1.1
163.14841	4.2
167.14362	4.3
171.13838	1.2
177.16383	3.1
181.15889	3.2
183.70064	1.1
185.15152	1.3
190.05627	1.0
191.17982	2.2
195.17458	2.5
209.19089	1.4
219.21155	2.1
223.20541	1.9
237.22197	2.9
239.37459	1.0
247.24178	1.4
251.23817	1.7
259.16882	1.1
300.07834	1.4
331.33710	6.7
349.34753	15.1
423.38382	12.7
441.39450	100.0
442.39828	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	442.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
61.21799	0.9
65.03954	1.0
67.05515	1.1
68.99796	2.2
69.03429	2.1
70.06595	1.2
70.89001	1.1
70.89318	1.2
71.85804	0.8
83.04984	1.2
83.94642	0.8
93.03394	1.3
95.04971	2.3
97.02907	1.0
111.04429	4.3
123.04430	20.8
139.03908	75.4
151.03909	22.0
151.05130	1.1
153.01819	1.7
153.05493	4.2
154.06580	1.5
156.08083	0.9
163.03922	4.0
168.08118	2.0
170.06114	0.9
172.07590	8.2
178.06584	1.0
181.04979	6.5
183.09769	0.9
184.07602	6.5
185.08353	1.4
186.09178	1.3
187.66473	1.0
195.06744	0.9
195.41452	0.9
196.07576	9.1
198.05423	1.2
199.06337	1.6
200.07066	15.7
202.05017	4.0
206.06113	2.4
208.07513	0.9
212.07069	10.7
213.07913	4.4
214.08682	6.0
215.05765	1.5
216.06566	5.6
217.07356	52.3
218.08115	16.5
224.07083	16.0
229.07362	7.1
230.05835	1.8
230.08130	30.0
231.08633	1.3
235.65700	0.9
240.06453	4.0
241.07350	5.2
242.08133	35.1
243.08495	1.6
247.48773	0.9
254.08165	6.7
258.07684	2.9
259.08411	14.0
260.09085	8.0
268.06158	1.2
281.45859	1.0
286.07132	1.7
304.08221	2.6
305.98758	0.9
318.10678	1.0
360.08759	1.0
362.10245	1.8
378.09851	1.2
380.11450	2.4
381.90283	0.8
396.11075	1.2
397.11441	0.9
406.09229	1.0
424.10349	2.4
442.11374	100.0
443.11554	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	441.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.05516	48.2
57.03448	13.3
57.07080	49.5
67.05507	17.9
69.07076	53.8
71.05028	1.8
71.08253	2.8
71.08633	31.5
71.51356	2.3
75.04488	3.4
79.05511	6.5
81.07056	25.7
83.04973	3.4
83.08626	39.2
85.06563	2.5
85.10191	19.8
87.04491	2.8
89.58236	1.7
91.05506	2.6
93.07058	11.6
95.08612	27.8
96.61436	1.7
97.06538	6.7
97.10178	26.8
99.08153	1.9
101.06066	1.8
105.07027	2.9
107.08605	10.6
109.10165	19.3
111.08117	5.6
111.11733	10.6
115.07582	2.1
119.08581	1.9
121.10134	11.8
123.11735	5.2
125.09644	5.5
129.09122	2.7
135.11717	11.8
137.13312	3.3
139.11208	6.7
143.10672	3.7
149.13315	7.6
153.12784	3.5
159.11780	2.1
163.14882	6.8
167.14339	3.2
177.16380	3.0
181.15935	2.5
191.18001	3.1
195.17529	3.3
205.19481	2.4
219.21101	2.2
225.08699	1.8
237.22141	1.9
311.06943	1.8
324.98294	1.8
331.33676	7.7
349.34647	17.1
423.38406	15.1
441.39478	100.0
442.39966	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	441.3728
Annotation	CHEBI:67942
Peak:m/z	Relative Intensity
52.98551	1.8
53.20876	1.9
55.05518	12.6
57.03418	4.4
57.07081	9.5
67.05502	18.4
69.07069	18.1
70.63041	1.7
71.08601	4.9
79.05499	14.5
81.07053	29.4
83.08630	10.8
91.05481	9.8
93.07042	28.2
95.04943	2.3
95.08605	46.3
97.06506	4.5
97.10172	9.5
103.03962	2.1
105.07038	11.1
107.07982	2.0
107.08598	24.2
109.09501	2.5
109.10159	34.1
111.08062	2.1
111.11686	3.8
119.08539	7.2
121.06499	3.8
121.09338	2.7
121.10141	38.6
123.08035	4.0
123.10998	1.9
123.11716	21.9
125.09620	2.2
128.29527	2.0
129.05458	3.2
131.08530	2.3
133.10088	5.8
135.11703	12.9
137.09590	2.6
137.13211	5.5
139.11105	3.0
145.10114	4.0
147.11676	3.8
149.09613	54.2
149.13255	17.4
151.11125	5.7
159.11653	4.0
161.13181	2.2
163.11162	4.1
163.14784	11.4
167.10573	4.1
173.13271	2.3
175.14799	4.5
177.12723	3.6
177.16290	3.2
191.17888	2.2
203.14400	2.3
205.15912	11.8
205.19473	7.0
219.17430	3.6
219.21040	10.5
229.00296	2.1
229.47002	2.1
296.88788	2.0
301.25314	4.0
322.31787	2.0
331.33481	4.8
345.27417	3.0
348.76617	2.0
349.34302	3.6
393.50327	1.8
423.36090	25.6
436.97714	1.9
441.37250	100.0
442.37573	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3732
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
51.55509	0.6
55.05519	3.3
57.07074	2.2
65.64500	0.6
67.05505	5.5
69.03435	1.5
69.06787	0.8
69.07082	8.1
71.97145	0.7
79.05492	3.5
81.07065	13.1
83.04997	4.0
83.08632	2.0
83.98641	0.6
91.05489	3.0
93.07043	6.6
95.04945	1.1
95.08611	22.1
97.06552	0.7
97.10136	1.4
105.07037	9.6
107.08596	14.3
109.06535	2.0
109.10170	12.8
111.08104	1.2
111.11743	1.4
119.08589	12.7
121.06568	1.5
121.10155	12.3
123.08061	2.0
123.11711	6.1
125.09574	0.8
131.08589	2.4
133.10144	12.3
135.08025	4.4
135.11711	9.9
137.09618	1.3
137.13293	3.9
139.11179	0.9
143.08559	0.9
145.10149	2.5
147.11684	8.9
149.09641	13.9
149.13266	3.8
157.10165	1.5
159.11734	2.9
161.09650	0.8
161.13220	5.3
163.11191	2.1
163.14836	2.1
171.11797	0.8
173.13287	2.1
175.11409	0.7
175.14845	3.2
177.12723	1.1
177.16466	3.0
179.14313	1.0
187.14838	1.4
189.16386	10.8
191.17978	4.6
199.14899	0.9
205.05188	0.8
205.19633	1.5
213.16422	1.3
215.17943	3.5
229.19554	1.3
231.17413	0.9
233.19096	5.2
235.16945	23.8
245.19078	1.2
247.20491	0.8
259.24298	0.7
269.22708	0.7
287.23654	7.7
423.36646	0.8
441.37314	100.0
442.37714	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	440.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01873	0.3
65.03938	0.8
67.05513	0.5
68.77207	0.2
69.96535	0.5
69.96928	0.3
78.04689	0.3
81.60866	0.2
84.93232	0.2
84.93751	0.2
91.05480	0.5
93.07044	0.6
95.04972	0.5
103.05462	1.0
105.07021	0.6
107.04978	0.6
108.02085	1.0
111.04428	0.3
121.06512	7.4
123.04383	0.6
131.04932	0.4
133.06445	0.3
136.01585	0.3
141.05501	1.1
149.05986	0.2
151.03914	100.0
151.04961	5.1
152.04315	0.8
153.87453	0.2
161.06067	0.3
163.07523	0.7
167.07060	7.2
179.06996	0.3
181.08562	0.3
193.08655	1.1
233.11757	0.3
272.80441	0.2
303.05005	11.9
304.05118	0.3
355.15445	0.8
387.17975	0.3
405.19058	0.5
423.10519	0.5
440.13434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.6
57.07081	46.9
59.05007	18.1
69.07072	2.8
69.59278	10.2
71.08637	100.0
81.07057	3.4
84.02564	1.4
85.10189	48.7
87.04478	2.9
88.26892	1.5
89.05489	2.7
89.06042	53.5
103.07581	4.4
125.30692	1.5
127.14838	8.1
133.08615	51.5
151.03943	1.8
177.11252	10.4
185.19048	10.2
221.13857	6.9
229.21643	4.0
239.14912	22.1
279.17953	2.7
283.17606	6.4
297.19110	1.7
300.28748	1.5
306.44080	1.5
349.16925	2.1
367.18079	1.7
423.33038	6.2
423.38089	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48936	1.7
55.01875	3.4
55.05511	5.1
57.03436	2.8
57.07108	1.7
61.02927	2.0
62.20916	1.6
65.03945	2.6
67.05506	6.0
68.99793	3.1
69.03432	11.0
69.07068	11.6
69.65273	1.4
70.04076	1.5
70.79923	4.1
79.01913	1.5
79.05500	5.3
81.03409	5.4
81.07062	7.4
83.04961	1.9
83.08620	7.2
85.02910	18.8
85.06534	6.0
87.00846	8.5
91.05470	9.8
93.07051	12.2
95.04936	3.2
95.08608	17.2
97.02897	12.8
99.04499	2.2
105.01863	8.9
105.07027	15.4
107.08587	26.2
109.02887	4.6
109.10164	15.3
111.08057	3.7
115.03982	3.0
117.07043	3.8
119.08586	42.4
121.06532	6.4
121.10152	36.5
121.64999	1.7
123.04432	3.0
123.08062	3.2
123.11707	3.0
125.02355	6.0
127.03920	11.5
131.08577	3.4
133.10135	37.6
133.18401	1.5
135.08090	2.3
135.11708	5.9
137.09653	2.0
139.03928	4.4
142.07732	1.7
143.03314	1.8
145.05000	4.8
145.10133	8.9
147.11670	14.0
149.13228	4.0
151.03911	45.8
151.04926	1.7
151.07541	3.5
152.04251	23.4
153.01849	16.3
159.02914	2.2
159.11662	3.5
161.13242	8.7
163.11169	2.4
173.13226	3.0
174.13580	1.7
175.14832	100.0
177.16393	28.9
185.09627	1.8
187.14813	10.0
193.15872	8.4
205.15871	23.9
217.07309	3.4
230.08170	2.7
231.05014	4.2
242.08212	2.6
283.16891	5.4
301.17999	2.5
303.05087	2.7
304.05331	4.5
404.30243	2.0
405.19141	3.7
423.19870	2.0
441.21283	5.0
442.11343	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55827	0.2
55.05508	1.4
55.96849	0.3
56.05032	1.1
57.59145	0.3
60.04528	0.5
60.05653	0.4
61.76952	0.2
65.03946	0.4
67.04260	0.5
67.05499	1.3
69.03432	1.0
70.06599	3.8
71.06926	0.8
71.50774	0.3
79.05492	1.4
80.05021	1.0
81.03407	0.6
81.07068	2.5
82.06583	100.0
83.04970	0.5
83.06915	0.8
85.02940	0.3
88.04002	0.4
91.00433	0.3
91.05451	0.4
93.07030	0.6
94.05766	0.2
95.01343	0.5
95.04971	3.7
96.08139	0.3
105.07043	0.5
109.06547	1.8
114.05537	0.4
119.04952	0.3
121.06527	0.4
124.07565	1.3
136.07553	0.3
137.05988	2.2
139.03941	0.3
139.07555	0.7
141.10234	19.2
142.08644	5.8
142.10416	0.4
147.04462	0.3
153.01865	0.9
159.11356	0.6
164.07103	0.3
165.05495	2.7
165.10226	0.3
183.11345	0.6
184.09723	1.9
201.12347	55.2
202.12709	0.8
266.89319	0.3
287.05621	0.4
302.38983	0.3
302.42548	0.2
302.79034	0.3
377.24338	1.3
421.23541	1.5
439.24432	25.5
440.24704	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.4
57.07079	100.0
58.59408	1.9
59.05003	30.2
67.05486	1.9
68.50272	2.3
69.07053	4.0
69.19881	7.1
69.20299	15.1
71.08634	77.3
81.07059	4.7
83.01164	1.8
83.08621	4.4
85.10187	61.7
89.06035	8.2
90.01909	8.2
91.81136	2.2
93.07046	3.4
95.08622	3.6
97.10155	4.1
99.11755	13.8
105.07030	2.5
113.13299	3.5
117.09129	7.7
119.08544	2.8
122.04804	2.2
123.11735	2.7
133.08594	5.7
135.08099	2.2
141.16380	2.5
153.99539	2.6
155.17953	4.6
159.11638	2.7
160.92424	2.1
175.11143	3.3
199.20540	2.8
200.85355	1.7
213.22209	5.0
214.05586	2.2
215.14233	2.1
219.13852	2.4
239.15007	4.7
247.04843	1.9
321.84726	2.3
413.57022	2.4
416.52911	2.1
425.26688	4.9
439.28552	2.6
440.29276	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	438.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.9
53.03943	2.3
55.01869	1.0
56.32433	0.7
57.03453	0.8
58.93632	0.6
62.06094	0.6
68.05046	0.7
68.99809	0.6
69.03429	5.3
69.70254	3.3
70.04093	4.0
70.06583	2.7
71.04982	0.7
73.02912	0.7
76.76326	0.6
78.03457	8.3
79.05486	2.7
80.05020	2.0
80.31310	0.6
81.03418	12.3
81.07049	0.7
84.08134	0.9
85.02912	4.5
86.09713	0.9
90.77654	0.6
93.07051	0.9
95.01318	0.6
96.04488	5.4
97.02877	5.3
99.04467	2.3
106.02924	28.0
107.04970	10.7
108.04482	1.2
109.02883	8.9
110.06068	0.7
121.06503	1.2
121.10172	0.6
122.06039	0.7
124.03959	100.0
125.04343	0.6
125.05974	1.6
126.05471	1.4
127.03952	5.4
135.04413	7.3
135.33319	0.5
136.03947	16.3
136.04956	1.2
137.05984	0.7
138.05498	1.0
140.03453	1.0
145.05083	0.7
153.01849	2.1
153.05470	43.3
154.04962	7.9
156.06566	0.6
166.05046	0.9
171.06541	5.3
177.05571	0.6
226.07195	3.0
232.06029	0.9
250.07118	15.4
268.08179	66.8
269.08429	0.9
276.01218	1.0
280.08017	3.0
291.75281	0.8
298.09222	1.6
338.86365	0.6
402.11600	0.8
420.12830	2.7
438.13708	9.3
444.00531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.4
57.07080	7.7
58.06589	1.7
65.03928	2.2
67.05505	3.0
69.63609	2.0
69.64014	5.6
70.06601	20.1
73.49570	1.2
79.05502	2.3
81.03432	1.7
81.07055	3.8
82.06589	4.1
85.02886	1.3
88.07636	19.5
91.05486	2.0
93.07046	1.5
95.08615	2.4
102.09201	17.2
105.07056	1.7
107.08587	2.2
109.10167	1.7
119.08582	1.5
121.06509	1.5
122.10426	1.2
128.07063	5.2
130.07286	1.2
133.10130	1.5
139.03894	1.4
141.48117	1.2
149.02357	62.1
149.03403	3.8
193.04984	63.9
228.23247	53.2
237.07587	74.2
240.74673	1.1
262.97235	1.2
272.26010	1.6
438.28571	100.0
439.28647	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	438.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53190	1.9
67.01859	2.5
68.99789	5.1
69.03445	1.8
70.06586	2.2
71.15247	4.0
79.05483	3.1
95.04967	7.3
105.03381	2.9
107.04935	2.0
108.97475	3.0
109.02918	3.5
111.02668	2.5
111.04460	5.0
121.02863	6.3
121.06461	3.1
123.04458	2.1
124.03989	2.4
124.39026	2.0
127.03934	3.9
133.02870	19.5
135.04390	4.2
137.00552	2.3
137.06010	9.1
139.02162	2.7
139.03859	4.3
149.00577	3.2
149.02350	26.1
151.02121	6.1
151.03899	16.8
153.01839	95.2
154.97992	19.3
164.04700	3.1
165.00044	5.5
165.05473	11.5
166.06281	37.7
167.01628	22.0
167.03366	7.7
169.03242	3.5
171.02888	3.1
177.01877	2.5
182.97433	11.3
183.01036	5.8
184.98953	3.3
185.05994	2.3
190.08557	1.8
191.01627	2.3
193.03217	7.1
193.04852	2.1
195.01230	3.6
195.02910	10.4
197.02658	3.9
198.03462	2.7
200.98541	7.0
201.05501	3.1
209.02632	3.3
213.05333	2.4
218.00278	2.4
219.01251	1.9
221.02626	2.8
223.00595	2.3
229.05000	7.4
232.01936	3.1
233.02724	10.5
242.05722	4.2
243.00993	2.1
247.00650	5.0
248.01363	5.0
257.04379	5.2
261.02100	17.0
263.03720	5.4
271.00769	3.4
275.03812	13.4
286.07431	8.1
289.01633	6.6
303.03207	15.1
331.02740	21.9
334.01767	2.2
349.03806	100.0
350.04068	5.1
357.04245	8.0
367.04935	13.9
375.05292	13.5
385.03720	5.7
394.22284	12.4
403.04840	4.4
421.05960	27.0
438.08774	9.2
438.14566	2.1
438.24854	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	438.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
56.83163	0.6
56.99465	0.7
63.75227	0.5
67.01857	2.4
68.99805	2.8
69.03429	1.3
70.02940	1.0
70.06582	1.0
70.66998	1.8
74.00656	1.6
81.14946	0.6
88.03999	10.7
91.05527	0.7
95.04978	1.4
97.02886	0.9
102.65480	0.6
105.07083	0.8
106.72466	0.6
107.04955	1.2
109.02876	2.6
111.00805	0.9
113.02368	3.8
115.00323	0.6
115.78079	0.6
120.01160	1.3
121.01090	1.1
123.04415	5.3
127.03924	2.1
127.64407	0.6
135.02621	0.6
137.00513	0.6
137.05984	1.8
139.03886	1.1
148.02113	0.8
149.00569	7.2
149.02321	0.6
153.01834	100.0
154.02162	1.0
165.00085	3.2
166.00858	0.6
167.01607	1.8
167.03352	1.0
169.03194	20.9
176.01669	8.0
178.03336	0.7
179.01608	0.7
180.02419	2.2
181.03203	1.6
193.01846	3.7
193.03462	0.7
194.02765	1.2
194.04442	7.2
195.01047	0.9
195.04837	0.8
205.03224	0.7
207.01111	1.0
208.04291	20.4
215.01642	0.8
218.00299	1.3
220.56744	0.6
222.05806	0.7
230.84081	0.7
232.01965	1.4
233.02687	1.8
240.05058	1.3
243.01093	1.1
247.04221	0.7
254.04837	68.8
255.05180	0.8
259.00568	1.5
260.01379	3.2
261.02170	0.8
268.06433	2.0
269.04846	2.5
271.00540	5.2
275.03693	5.8
286.07486	10.2
287.00229	1.5
288.00848	3.5
293.04776	5.0
299.00064	8.2
301.07303	1.4
316.00369	16.5
321.04382	5.1
329.04749	0.9
331.02713	19.5
333.04263	9.3
349.03778	6.2
354.67847	0.7
356.05923	1.8
420.07382	5.2
421.05881	1.3
438.08282	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	437.1448
Annotation	Arthromerin B
Peak:m/z	Relative Intensity
53.03937	1.4
55.01876	1.0
69.03443	1.0
69.07086	0.7
70.06577	1.7
71.51303	0.9
74.34390	0.6
79.05496	1.5
81.03424	1.5
81.07073	1.0
83.58723	0.8
85.02917	2.0
85.06515	0.6
91.05460	0.7
95.04971	1.1
97.02890	1.4
103.04005	0.7
107.04964	100.0
108.05328	1.3
109.06527	0.7
109.10204	0.6
121.06517	1.6
121.10109	0.7
122.49638	0.6
123.04433	1.5
125.02356	0.7
127.03914	0.9
131.04910	1.1
137.05994	1.0
139.03940	2.3
140.80585	0.7
145.76729	0.6
147.04430	1.2
149.05949	1.7
151.03912	3.9
153.01857	2.0
154.02219	0.9
163.03958	2.1
164.07034	0.8
165.05487	1.3
169.05031	1.3
181.05022	4.4
193.04993	6.7
200.37082	0.8
205.05034	2.8
207.06607	2.4
211.06056	4.9
229.05020	1.7
231.06560	1.2
235.06075	5.7
241.05101	1.0
247.06064	2.9
259.06058	2.5
275.09259	2.5
277.07153	1.5
287.06082	1.0
287.09103	4.6
299.09146	4.2
317.10318	6.4
341.10254	7.8
348.02716	1.0
353.10217	7.6
361.02225	0.7
365.10291	3.0
383.11325	2.2
401.12338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1442
Annotation	Trilobatin
Peak:m/z	Relative Intensity
55.01865	1.1
60.23804	0.6
63.91613	0.6
65.67677	0.6
66.73418	0.6
69.03435	0.7
69.46970	2.5
69.47404	2.5
70.06590	1.7
79.05493	1.5
81.03426	1.1
81.07049	1.3
85.02896	3.9
86.09666	0.7
91.05480	1.3
92.80699	0.6
93.07085	0.8
95.04948	0.7
95.08623	0.7
96.18016	0.6
97.02906	1.6
98.21508	1.3
103.03963	1.0
103.05515	0.8
105.03400	0.7
107.04961	100.0
108.05335	0.8
118.72057	0.7
119.04924	1.6
120.05313	0.8
121.02840	0.7
121.06499	2.3
121.10198	0.8
127.03955	3.8
131.04945	1.8
139.03911	1.7
144.05780	1.0
144.98988	0.7
145.06523	0.7
146.06105	0.7
147.04422	6.6
148.00887	0.8
148.04782	5.3
149.06000	8.4
151.03938	4.1
153.01830	3.2
163.03932	1.7
165.05408	0.8
169.04987	4.9
173.05986	3.9
174.17993	0.7
181.04938	3.4
191.07033	1.1
193.04990	6.6
205.05078	1.5
207.06573	1.2
211.06036	3.1
215.07065	1.3
217.04950	1.0
235.06044	4.3
241.05106	0.9
247.06123	2.3
259.06076	1.6
275.09183	9.4
277.07138	1.0
287.09131	3.7
299.09195	3.5
317.10156	6.8
341.10294	7.2
353.10196	5.5
365.10370	3.6
383.11331	1.6
391.13626	0.8
401.12338	0.9
437.14221	1.9
437.21277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.4
53.45980	0.6
55.01630	0.7
55.01866	2.7
55.68232	0.6
56.96553	1.3
65.03939	2.6
67.05492	1.1
68.99786	4.5
69.03409	0.8
69.38920	3.0
69.39346	2.2
70.06596	4.7
71.04979	0.6
72.08169	0.8
79.43982	0.6
81.03422	0.9
84.08121	1.5
85.02920	3.3
86.06047	1.2
88.11250	1.5
91.05489	1.5
92.83361	0.6
93.03418	1.0
93.21344	0.7
95.01317	1.7
95.04955	1.1
97.02885	2.8
98.97588	0.8
99.04450	1.2
100.10018	0.6
103.03984	1.3
107.04945	1.6
109.02896	2.7
111.00805	3.5
111.04459	1.5
117.56183	0.7
119.04990	1.0
121.02897	4.7
121.06508	2.5
123.04422	4.3
127.03906	6.1
135.04370	1.4
137.02339	2.0
137.05957	1.8
138.05492	1.0
139.03905	100.0
140.04234	1.5
142.27522	0.6
143.03384	0.7
147.04417	3.9
149.02350	2.4
149.05942	1.6
151.03899	8.4
153.01842	9.7
155.03406	1.0
159.04398	1.2
161.06006	0.8
163.03903	12.9
165.01839	6.2
165.05528	2.0
166.05579	0.6
167.03375	4.3
173.06007	1.3
175.03905	3.5
176.04655	1.3
177.05467	5.8
178.05852	2.2
179.03392	9.3
181.04910	4.2
185.05984	1.0
189.05438	4.3
191.03391	6.4
191.07069	0.8
193.04947	3.2
195.02890	0.7
197.06044	1.7
199.03951	1.0
201.05486	1.5
203.03415	3.6
205.04945	4.7
209.04456	1.2
213.05499	2.0
215.03468	1.1
217.04959	6.0
219.02924	2.4
219.06531	1.2
220.07040	0.7
221.04405	1.6
223.06137	0.7
225.05534	0.7
229.04994	2.2
233.04442	5.7
235.05920	4.7
237.05415	1.4
241.04973	1.2
245.04440	4.0
247.06046	0.7
251.05464	0.7
251.11040	1.1
253.04932	2.0
253.07242	1.4
255.06535	1.1
257.04538	2.1
259.06128	0.7
263.05417	4.1
267.06677	1.1
269.04111	1.4
269.06680	3.0
271.05978	1.4
273.07693	0.6
275.05603	2.0
281.04343	2.3
281.06769	1.7
283.06036	1.2
287.05499	9.4
289.07059	2.5
293.06827	0.8
295.06134	1.5
299.05432	4.7
301.07034	6.8
302.07297	0.7
303.04889	5.3
311.05573	1.7
313.07062	1.1
314.77032	0.6
317.06583	1.9
323.05530	0.7
327.05029	1.2
329.06555	4.1
337.07217	1.6
341.06592	1.2
349.72281	0.6
353.06577	1.5
355.07990	1.3
359.07526	3.1
365.06601	1.9
383.07541	4.0
398.79208	0.7
401.08817	3.3
401.13538	0.7
419.09839	2.9
419.15283	2.2
437.10828	1.8
437.16345	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.5
57.03447	2.7
57.07079	99.7
59.05007	58.0
67.05509	4.5
69.07066	5.1
69.38239	12.9
71.08633	100.0
81.07048	3.7
85.10184	98.1
87.04480	30.2
89.06075	2.9
99.11744	6.9
117.09137	19.0
141.16373	5.6
199.20554	13.1
257.24817	11.1
308.41812	2.2
391.34094	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.0
57.07079	100.0
59.05006	27.1
71.08634	69.8
71.51528	3.1
73.02922	27.1
85.10189	60.3
95.08669	2.5
99.11717	7.3
105.07059	2.6
107.08591	3.8
109.06506	10.5
113.13306	4.9
117.09154	14.6
151.34795	2.1
155.17928	7.0
213.22104	8.8
271.26364	8.4
324.31393	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.1
56.05023	2.5
57.03432	5.9
62.57377	1.9
69.03405	3.0
70.06595	80.9
71.04988	9.4
71.51190	3.4
72.08128	3.5
75.04456	2.5
78.49767	1.8
79.05494	3.8
81.07024	3.6
83.06089	2.5
84.08167	2.6
85.02913	7.6
91.05479	2.8
93.03409	1.9
97.02907	2.8
103.05495	4.0
105.07038	26.0
107.04941	6.3
110.07164	4.5
111.04458	2.3
113.09653	3.7
113.20729	1.9
119.04918	3.0
121.02876	3.2
121.06540	14.4
122.03652	2.4
123.04507	3.0
133.06499	52.3
137.05986	100.0
139.03911	6.4
145.06078	2.3
147.04390	3.1
149.06065	2.9
153.01840	6.0
154.04968	4.1
163.07578	4.5
165.05521	6.1
165.09116	38.7
175.07536	3.4
177.05467	20.4
183.10176	29.1
192.19064	2.1
203.10637	2.5
208.95705	2.0
221.11732	3.6
239.12656	3.3
257.13870	45.0
274.10687	7.8
275.82806	2.2
297.07632	2.9
379.10025	13.6
418.15170	3.8
436.16086	45.3
437.16794	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
54.03471	0.9
55.01867	0.7
58.06602	1.0
63.11042	0.5
68.99809	1.9
69.25381	0.8
69.63133	2.0
69.63557	1.4
69.76148	0.5
70.04089	2.3
70.06598	100.0
79.05505	1.1
81.03438	0.9
81.07070	0.8
91.05518	1.3
93.07062	1.3
97.02910	1.2
103.05482	1.2
105.06991	0.6
107.04983	2.0
109.66866	0.6
111.04449	0.7
121.06497	3.7
135.04439	2.2
137.06041	0.7
139.03947	2.0
147.04457	0.8
149.05995	6.5
153.01839	1.5
159.04427	1.4
161.05978	1.2
163.03819	0.9
165.05524	1.5
167.03442	1.5
177.05482	57.9
178.05823	0.7
179.03448	0.8
189.05460	1.1
203.03519	0.9
207.06599	0.6
223.07573	0.8
259.13574	0.6
274.01440	1.3
297.07767	0.9
299.09015	0.7
315.43863	0.5
361.09216	1.4
379.10266	15.1
400.13913	0.6
418.14969	1.2
436.16055	63.7
437.16364	1.4
452.30054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.9
58.08953	0.8
60.19778	0.7
63.57078	0.8
65.03922	1.2
66.06122	0.9
70.20110	0.7
70.45362	0.8
70.45721	2.5
84.08127	3.3
91.05493	17.2
93.07050	2.2
98.97598	2.0
103.05452	1.4
109.06451	0.8
119.04950	11.8
121.06516	38.0
124.44619	0.8
130.08707	0.9
137.05988	100.0
138.06328	0.9
138.09160	9.7
154.08647	40.0
155.08929	0.9
219.01805	1.8
228.05493	1.8
246.06506	2.4
251.51582	0.9
274.12979	2.1
291.96393	0.9
305.10681	0.9
307.07132	1.8
307.10388	1.3
325.08044	1.4
436.14560	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	1.8
55.67805	1.9
57.03436	4.9
67.05494	2.4
69.03432	3.3
70.06598	69.0
70.27709	5.4
71.04999	15.1
79.05482	4.5
81.03413	2.3
81.07065	2.3
85.02888	8.5
91.05485	3.3
95.04981	1.8
97.02907	4.0
103.05482	2.7
105.04516	2.0
105.07030	27.8
107.04934	4.6
109.02853	2.3
110.07208	2.8
113.09641	4.9
120.08113	2.7
121.02844	5.3
121.06536	14.7
122.03606	2.6
123.04451	2.8
133.06499	48.5
137.05986	100.0
138.06422	3.1
139.03870	6.3
147.04396	2.0
149.06107	2.2
151.03978	2.1
153.01817	6.9
154.04976	4.7
163.07562	3.9
165.09145	37.0
175.07613	2.7
175.11028	2.0
177.05490	22.5
177.08925	2.1
183.10190	21.7
221.11673	3.2
239.12837	3.8
257.13870	43.6
258.14218	1.9
274.10773	5.7
348.26392	1.9
379.10263	10.5
418.15515	3.0
430.46552	1.9
436.16028	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2742
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03939	3.7
53.09356	0.9
55.01871	1.3
55.05319	0.9
55.05515	11.5
57.03423	2.8
59.04987	3.3
65.03930	3.5
67.05505	100.0
69.03416	1.4
69.07061	6.2
69.39996	1.0
71.04989	3.7
71.51509	2.0
79.05492	34.9
81.03410	4.4
81.07056	30.6
83.04981	4.8
83.08622	6.0
83.09065	1.2
84.15454	1.1
85.06535	2.7
89.40221	1.1
91.05480	29.3
93.07045	26.6
93.62685	1.1
95.04983	9.1
95.08607	14.3
97.06532	2.9
97.10159	2.2
105.04529	1.1
105.07034	17.4
107.04974	2.4
107.08594	6.3
109.06512	4.5
109.10158	53.8
111.08077	3.7
117.07027	3.1
119.08579	13.4
121.06506	1.7
121.10149	3.3
123.08109	2.8
129.07008	7.0
131.08577	3.3
133.10129	4.0
135.11674	1.9
137.09550	2.2
141.07028	1.1
143.08549	4.5
145.10147	4.0
147.08041	2.0
147.11684	18.4
155.10695	4.1
159.11790	1.3
161.09605	2.5
161.13300	5.1
163.03847	1.5
171.11668	11.5
173.11758	16.9
184.07382	1.2
189.12737	5.8
207.13783	15.3
225.14885	2.3
229.14394	1.3
234.43367	1.1
328.75687	1.3
343.22659	1.9
416.16446	1.1
417.26532	1.7
435.27414	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80925	2.2
53.03936	13.2
54.38137	2.5
55.01864	8.9
57.03428	8.8
61.02921	9.3
62.58827	2.7
64.20457	2.9
65.03935	2.9
68.99798	7.8
69.03432	27.2
70.06596	100.0
71.04996	4.4
73.02911	7.1
79.05507	2.8
81.03419	25.1
83.04984	6.3
83.39835	2.3
84.08125	5.0
85.02909	90.7
86.06106	2.2
87.00841	33.1
87.04498	3.2
91.03951	3.6
93.07040	2.9
97.02897	35.5
99.04459	14.2
105.01875	28.4
107.04944	11.2
108.04477	7.0
109.02895	32.6
111.04459	13.7
115.03934	4.4
116.02525	2.4
116.07092	4.2
121.06503	5.6
124.07580	5.2
126.05553	5.8
126.09156	3.9
127.03923	51.2
129.01817	6.7
131.12700	2.6
134.62250	2.4
135.04413	7.7
137.05986	4.5
138.05476	14.6
139.03914	50.1
141.05521	2.9
145.04974	25.5
146.07465	2.5
147.02911	4.7
149.05969	5.8
151.03883	3.7
151.07573	3.9
153.01828	17.8
159.02959	17.9
159.04126	3.3
163.03931	17.5
164.10542	2.6
165.05467	3.0
169.05043	5.1
171.06546	55.3
177.05481	57.7
181.04948	9.2
189.03937	4.4
195.06525	32.7
201.05563	3.1
213.07532	17.9
219.06483	4.2
231.05003	10.2
233.08228	3.1
237.07613	15.4
248.07692	4.2
250.10732	8.8
261.07510	8.2
268.60406	2.6
279.08633	16.3
379.10364	12.7
418.15192	8.7
436.10519	3.8
436.16068	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
53.97866	2.5
55.01862	11.3
55.05511	7.5
57.97023	2.7
65.03907	3.2
66.92327	2.4
67.05501	9.3
68.99787	6.0
69.03433	4.1
69.07069	3.4
71.04990	4.5
71.50683	2.5
73.38428	2.6
79.05487	14.1
81.03412	3.3
81.07047	8.7
83.04981	4.8
91.05474	11.7
93.07024	12.0
95.04955	7.0
95.08605	6.3
97.06526	8.4
103.05457	3.6
105.07023	11.9
107.04959	10.8
107.08609	7.6
109.06566	3.0
109.10128	3.6
111.04474	3.7
114.58814	2.4
115.05481	4.0
117.06956	4.7
119.04923	4.4
119.08594	3.6
121.02859	13.9
121.06480	4.9
121.10189	4.8
123.04430	17.8
123.11670	3.1
125.06019	3.8
126.52197	2.4
127.03893	8.1
128.06157	2.9
129.06999	7.1
131.04913	2.8
131.08546	10.0
133.06435	3.1
133.10141	7.1
135.04384	11.1
135.11667	3.2
137.05948	7.3
139.03912	100.0
140.73770	2.4
143.08600	5.8
145.10133	3.6
147.04417	6.2
147.11621	3.8
149.02371	4.7
149.05984	3.2
149.09659	9.2
149.13252	4.3
151.03920	19.3
151.07516	3.5
153.01859	18.5
153.02931	4.1
153.05460	3.6
157.10095	3.2
159.08075	4.6
161.05984	6.4
161.09666	3.8
163.03915	36.6
167.06984	3.7
173.09660	3.3
175.11137	4.3
176.04550	2.9
177.05534	4.9
177.09128	33.9
179.03406	11.3
181.04953	7.4
185.09656	3.3
189.05432	4.4
189.09116	6.1
191.03432	2.8
191.10498	3.5
201.05441	4.0
203.10718	5.1
213.05525	3.5
213.09068	3.4
223.09607	3.7
226.05934	2.9
227.07104	5.1
231.10295	6.2
233.08035	3.8
239.07063	6.3
241.08630	4.5
253.05119	3.1
253.08612	2.8
259.09811	3.6
269.11880	12.0
271.05972	6.6
272.06369	3.5
273.06708	5.6
279.06653	5.9
283.13339	7.8
287.09128	3.5
295.06158	5.3
296.06763	4.5
297.07544	4.7
297.11340	3.4
311.12769	11.4
321.11218	11.2
329.13818	5.5
339.12317	62.7
357.13412	26.5
367.11743	11.1
371.14886	4.5
385.12692	20.0
399.14368	36.7
403.14053	16.2
417.15378	4.7
435.16806	4.7
435.33325	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	435.1288
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
59.00538	0.5
60.32425	0.4
61.43004	0.5
64.27979	0.5
67.01865	1.5
68.99794	1.2
69.03410	1.1
70.46408	0.6
71.50797	0.7
81.03403	0.6
81.57204	0.5
85.02901	1.8
91.05486	3.2
93.07017	0.7
95.04957	0.9
97.02923	0.9
105.07066	0.6
107.04962	1.8
111.00797	0.6
119.04948	9.4
121.02884	1.6
121.06488	0.6
123.04443	2.7
131.19257	0.5
147.04416	34.7
151.03893	1.0
153.01837	70.1
154.02191	0.7
171.02928	1.6
179.03239	0.6
189.05289	0.6
195.02875	1.3
231.06500	0.8
239.37119	0.6
262.27032	0.5
273.07581	100.0
274.07928	2.7
303.05023	16.9
347.02255	1.2
435.09106	2.6
435.22018	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.129
Annotation	Chalconaringenin 4-glucoside
Peak:m/z	Relative Intensity
53.03930	1.4
55.01856	1.3
55.05497	5.0
57.03437	1.6
67.05496	1.7
69.03413	4.4
71.04998	2.5
81.03420	2.5
81.07047	3.6
83.04941	1.6
83.08599	3.4
85.02908	8.6
91.05475	6.5
93.07028	2.8
95.04958	3.0
95.08591	3.3
97.02891	4.0
98.20701	2.2
100.07595	2.1
100.11282	8.8
105.07022	1.5
107.04964	4.2
107.08567	2.6
107.22362	1.2
109.02873	2.2
111.04440	2.6
118.96471	1.2
119.04944	13.2
120.08085	2.0
121.02865	2.7
121.06499	2.4
121.10144	1.6
123.04427	5.1
125.02345	2.1
126.09118	1.6
128.07063	2.0
131.08553	1.2
133.10162	2.0
137.05983	2.6
139.03902	4.6
140.07181	1.5
145.04945	1.5
147.04420	43.7
149.06000	1.8
151.03856	2.4
153.01836	97.3
153.12784	2.4
154.02142	4.4
155.02397	2.7
155.07069	1.5
165.01830	4.3
167.07137	2.6
168.25020	1.2
171.02919	2.4
177.05421	1.8
179.03374	1.4
181.04947	3.7
182.15424	8.9
191.03442	3.0
195.02914	5.7
199.17941	1.4
209.08037	2.0
210.14893	7.1
218.38380	1.2
219.02869	5.1
224.46461	1.3
227.17580	1.3
231.02950	2.1
233.08200	1.6
249.27971	1.2
273.07584	100.0
274.07727	1.8
279.05130	1.6
303.04877	2.0
324.54532	1.2
326.27808	2.6
339.08511	1.7
351.08728	1.6
353.76053	2.1
436.10132	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.5
55.71582	0.9
57.03432	3.1
63.73078	1.0
67.05503	1.6
68.99795	1.8
69.03414	2.7
69.87041	3.3
70.06584	1.4
71.01351	0.8
73.02911	3.5
79.28170	0.8
81.07080	1.4
81.52441	0.8
85.02912	3.1
93.07067	1.0
95.08616	1.6
97.02883	1.1
98.21451	1.3
105.07024	1.7
107.04962	1.3
109.02855	1.5
109.10212	1.0
109.80996	0.9
111.04443	1.0
115.03939	1.7
117.07011	1.3
119.08576	1.5
121.02841	4.3
121.06522	1.5
133.04973	2.2
137.02333	5.3
137.05986	1.1
139.03914	7.4
148.93907	0.9
153.01842	8.7
161.05913	1.3
163.03955	1.1
165.01875	3.2
167.07076	1.3
169.08659	1.0
173.06053	1.2
183.03032	1.1
190.05013	1.1
201.05528	2.5
229.04962	6.8
247.05975	1.5
255.06601	4.3
257.04544	3.1
273.07385	1.7
273.12393	2.1
274.04855	1.4
285.04135	1.4
303.05020	100.0
304.05399	2.9
435.21530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0925
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
50.66393	0.4
57.03445	5.0
61.02913	1.5
67.05487	0.4
69.03428	0.8
70.99440	0.4
71.08524	0.8
72.86315	0.4
73.02921	13.0
78.64614	0.5
81.71812	0.4
85.02906	0.9
90.53368	0.4
93.07076	0.4
95.04958	0.7
109.02854	0.7
110.70271	0.5
111.00772	0.8
115.03918	0.8
121.02870	2.3
131.04887	0.5
135.04478	0.7
137.02354	3.1
139.03905	0.5
140.25415	0.4
149.02333	0.9
153.01831	6.1
161.05992	1.1
163.03888	0.8
165.01811	2.0
167.47992	0.5
173.06087	0.5
183.02986	0.6
201.05478	2.2
229.04971	4.5
247.06047	0.9
257.04547	3.3
274.04822	1.0
285.03897	1.5
300.52533	0.5
303.05002	100.0
304.05219	2.1
394.84500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1288
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03419	6.2
67.05510	2.4
68.99789	4.3
69.03439	4.9
69.07067	2.1
70.06614	3.1
70.32697	5.7
72.08157	3.7
78.30076	1.9
79.05486	2.6
81.03449	4.6
85.02912	25.3
85.22748	1.8
86.09699	4.6
91.05468	5.7
91.72578	1.9
95.04984	4.6
95.51785	2.1
97.02887	4.5
103.03877	2.1
104.80588	1.9
107.04961	3.9
109.02888	6.1
119.04927	8.5
121.02892	18.7
121.06463	4.1
123.04433	11.4
125.02396	4.2
133.10086	3.2
135.04413	3.9
137.06001	4.4
139.03879	3.0
147.04407	20.9
151.07527	2.8
153.01851	19.2
161.05998	13.1
161.09702	3.8
163.03969	13.1
165.01839	40.7
165.05467	2.6
171.02895	2.5
177.01834	13.6
183.02942	11.6
189.01776	6.3
189.09106	8.2
191.03424	26.4
195.02899	100.0
205.04913	3.9
207.10094	9.9
215.03459	3.5
219.02898	39.9
231.02914	27.0
233.04504	3.4
243.02950	10.1
249.04024	10.2
261.03937	22.4
273.07568	19.0
279.04996	5.9
279.21936	2.2
285.07599	37.8
297.07657	20.0
309.07626	2.5
315.08655	16.1
339.08588	27.6
351.08722	20.4
363.08594	5.5
369.09384	3.9
381.09772	8.2
399.10657	9.5
417.11664	2.3
435.22104	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	433.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34604	2.4
55.05513	31.6
57.06836	2.9
57.07081	40.6
67.05501	9.3
69.07072	66.1
70.08778	9.2
71.08630	34.5
81.07057	9.1
83.05000	3.2
83.08621	40.0
85.10181	21.3
93.07045	7.6
95.08629	12.1
95.09238	2.1
97.10188	35.9
107.08561	2.9
109.10125	4.6
111.04476	2.3
111.08051	2.4
111.11727	29.7
113.00015	3.8
118.62064	2.6
119.08543	2.4
121.06489	4.4
123.08090	7.1
125.13293	12.3
135.08055	6.8
137.05959	5.6
139.07561	28.3
149.09653	3.1
151.07562	54.0
155.07069	4.1
165.09065	5.0
166.06305	3.5
167.07063	100.0
177.09071	12.0
191.10683	10.9
205.12219	8.3
225.33057	2.7
269.24478	2.6
315.45901	2.7
415.35788	6.6
433.37006	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.4
55.05515	30.6
57.06835	3.9
57.07082	48.1
67.05488	6.0
69.06739	4.0
69.07073	59.3
69.59442	2.6
70.69244	8.0
71.08298	3.0
71.08643	41.4
79.05524	2.5
79.92138	2.7
81.07045	5.4
83.08623	45.8
84.32828	2.8
85.10176	21.2
87.47505	2.5
93.07034	3.8
95.08617	7.8
97.10180	45.0
109.10174	3.3
111.11739	32.3
121.06458	4.2
123.08028	3.2
125.13248	12.6
135.08061	3.7
137.05917	6.4
139.07552	29.3
145.10219	2.9
151.07550	61.9
155.07031	9.7
160.90521	3.0
165.09132	6.4
166.06194	3.9
167.07056	100.0
177.09145	15.6
191.10669	13.7
192.23648	2.6
205.12259	7.6
219.11063	2.7
415.35553	5.7
433.36871	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01900	0.4
56.96550	0.5
60.59738	0.3
70.06591	0.6
71.50098	0.7
73.34077	0.3
74.15211	0.4
75.55330	0.4
79.01880	0.4
79.46202	0.4
81.03452	0.4
81.07050	0.8
84.08149	1.7
85.02908	0.9
85.08463	0.4
91.05472	3.5
93.07040	6.0
95.04971	0.9
97.02874	0.5
98.97592	0.7
103.05490	4.4
105.04543	0.4
117.09174	0.9
119.30857	0.4
121.06515	100.0
122.06855	1.3
123.07055	0.4
127.03959	0.4
135.10179	0.7
137.05977	1.6
138.09152	29.2
151.07553	0.9
153.01842	3.7
154.04941	0.4
154.08618	0.9
159.24513	0.4
314.25656	0.3
321.63269	0.4
344.37134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.2
55.05508	8.1
57.03425	6.9
57.07074	3.2
60.84152	2.3
66.28120	2.7
66.41052	2.8
67.05183	3.5
67.05511	42.0
69.07064	9.5
71.51230	3.4
75.04499	3.1
75.44949	2.5
79.05504	30.7
81.07067	57.3
83.08643	4.0
85.39502	2.4
91.05482	19.1
93.07054	44.0
95.08613	34.8
97.06517	2.9
98.98476	100.0
105.07005	17.1
107.08606	26.5
109.10171	16.6
117.06998	5.7
119.08595	16.0
121.06544	3.3
121.10168	20.7
123.11704	9.1
131.08563	15.7
133.10133	11.7
135.11705	13.7
137.13239	3.7
139.91512	2.8
145.10138	11.3
147.11687	9.9
149.13246	12.8
153.12706	3.3
155.01022	17.8
159.11719	10.8
161.13251	8.4
163.14812	7.0
173.02161	18.8
173.13260	10.4
180.99641	2.4
187.14832	8.5
197.95186	2.5
243.21120	15.9
261.22144	65.1
262.22598	2.9
276.41000	2.6
285.62436	2.6
314.56854	2.4
317.24747	9.0
327.88467	2.9
335.25842	42.6
415.22394	9.6
433.30103	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	433.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.9
57.03444	4.7
57.07075	1.7
67.05505	4.5
69.07073	4.8
69.85719	0.4
71.08640	1.3
71.51444	0.6
79.05493	1.8
81.07059	5.0
83.08622	3.4
91.05491	0.7
93.07053	2.6
95.08609	4.6
97.06527	0.8
97.10197	2.3
107.08617	1.4
107.40005	0.6
109.10182	2.1
113.00027	100.0
121.10162	2.4
123.11658	0.7
128.95313	0.5
135.11685	1.5
136.05215	0.5
136.06235	0.6
137.13338	0.5
149.13191	0.8
154.02621	0.6
155.07014	0.5
167.07043	0.6
169.02626	95.2
174.70085	0.5
192.13490	0.5
194.85350	0.5
247.24135	0.6
265.25269	1.7
335.65598	0.5
393.80246	0.6
405.21014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2353
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
52.05364	2.7
53.03947	4.2
55.05514	14.1
57.03419	10.0
57.07063	5.1
67.05183	4.5
67.05506	59.6
69.07047	12.6
69.07384	2.8
70.83057	7.7
79.05494	37.9
81.07052	64.5
83.08601	7.3
85.10185	2.8
91.05482	21.2
93.07039	49.0
95.08069	4.1
95.08614	51.3
98.98472	100.0
99.08105	4.0
105.07058	23.2
107.08602	36.4
109.10165	23.6
117.07001	7.0
119.08561	14.2
121.10143	22.5
123.11702	12.5
131.08543	18.2
133.10114	13.4
135.11746	14.5
137.13239	4.1
145.10143	9.0
147.11691	12.3
149.13292	14.3
155.01024	13.4
159.11694	12.1
160.87183	2.8
161.13228	6.4
163.14816	9.9
173.02142	19.6
173.13226	9.2
187.14912	3.9
194.85283	2.8
198.66408	2.8
233.22742	3.5
243.21046	16.0
261.22162	55.9
317.24734	11.2
335.25815	95.4
352.95886	2.9
390.65518	3.1
410.44391	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	433.1495
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
51.46453	0.4
52.60533	0.4
54.55822	0.4
57.78454	0.4
59.00782	0.5
67.05476	1.0
69.07024	0.6
69.27985	1.0
69.28394	2.7
79.05460	1.1
81.06997	1.6
91.05448	1.1
93.07002	0.7
95.08556	0.9
99.04374	0.4
105.06980	0.6
107.04909	0.4
109.06448	0.6
117.06963	0.7
119.08511	0.8
121.02753	0.6
121.06508	0.4
127.03868	1.2
131.08548	0.8
135.04353	0.7
137.05769	0.5
145.10065	0.5
147.04349	0.6
151.07452	0.6
163.03822	0.5
163.07414	0.5
165.04170	0.6
165.05467	8.8
165.06738	0.4
175.07498	0.7
177.05528	0.5
178.06172	1.7
181.04863	0.6
183.02844	4.0
183.33345	0.4
184.07339	0.5
185.09563	0.6
187.03889	0.6
189.05411	0.6
191.06877	0.6
201.05388	0.5
205.08566	0.6
211.02374	2.5
213.05539	0.7
215.07146	0.5
227.07036	1.0
229.03088	0.5
233.08028	1.0
243.06526	0.9
255.06464	0.5
271.05972	1.2
281.04706	0.7
283.05984	1.2
285.07312	0.6
286.08429	0.7
289.07111	2.9
296.06882	0.5
297.07370	0.7
299.05511	3.2
300.06064	0.5
301.06976	0.9
302.04309	0.7
311.05423	2.6
313.03458	0.6
313.07043	0.9
314.04291	0.7
314.07928	1.0
315.04938	0.6
317.06601	4.8
325.07184	0.5
326.04132	0.4
327.05109	3.9
327.08701	1.0
329.06491	1.9
329.10037	0.9
330.03592	1.1
331.08002	1.5
339.05130	3.2
341.02859	1.2
341.06674	1.5
342.07303	1.6
343.08066	0.8
345.06046	8.9
345.09927	0.9
353.06732	0.9
354.07388	1.4
355.04431	1.6
357.05780	2.2
357.09842	2.7
358.06985	0.6
359.07401	2.4
360.08365	4.1
367.19049	0.6
369.05933	1.2
369.09915	0.5
370.06808	1.8
371.07590	1.0
373.05530	4.8
375.10733	1.9
385.09143	8.0
387.07010	5.3
387.10965	0.6
388.07877	4.6
399.10989	1.2
400.11438	1.1
403.10254	78.7
404.10837	3.4
417.11798	4.0
418.12613	11.8
433.14975	100.0
434.15262	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	433.1134
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03436	5.1
71.04998	23.9
71.15694	2.7
82.04343	1.1
85.02914	23.3
107.61108	1.0
116.61353	1.1
119.45459	1.0
121.02872	4.6
122.99404	1.1
129.05464	5.1
137.02422	1.3
153.01845	4.1
165.01718	1.2
287.05527	100.0
288.05826	2.1
306.37537	1.3
306.41226	1.4
329.06647	1.6
397.09332	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1136
Annotation	Galanginin
Peak:m/z	Relative Intensity
50.54177	0.5
53.03942	0.9
53.12285	0.5
55.01871	0.9
55.05510	0.8
57.03430	0.8
67.05521	3.1
68.99772	0.7
69.03431	3.1
69.07043	1.3
69.37449	4.6
70.06590	1.3
71.05005	0.9
72.08149	1.4
79.05505	0.8
81.03413	1.7
81.07055	2.1
83.04968	0.6
84.08150	0.7
85.02914	4.8
86.09720	5.8
91.05487	17.2
92.05811	6.9
93.07048	2.1
95.04961	1.8
95.08627	3.0
97.02916	1.9
97.06561	0.6
98.21581	1.0
99.04458	0.6
105.07050	1.1
107.04968	0.8
107.08587	1.2
109.02885	1.9
109.06511	1.3
109.10164	6.3
115.02940	0.6
115.05399	0.6
119.04942	2.5
119.08570	1.5
121.02908	1.2
121.06503	1.3
121.10149	1.3
127.03915	1.7
130.06520	2.1
131.04890	0.5
131.08565	0.5
137.05984	1.0
137.09645	5.7
139.03882	0.6
142.06563	0.5
145.02931	0.8
145.04893	0.9
147.04408	0.7
147.08054	1.2
147.11626	0.7
152.07112	0.7
153.01854	10.3
154.02226	0.5
157.07658	2.4
157.10124	0.7
158.06027	1.0
163.03923	1.6
165.05438	1.6
165.09129	9.5
171.03041	0.6
175.08763	1.0
177.09193	0.6
185.07024	1.2
187.06151	0.8
212.09528	1.3
217.12198	0.7
223.92021	0.6
235.13269	1.0
239.12790	5.1
257.13947	1.6
265.52164	0.5
270.13577	2.3
271.06039	100.0
271.13791	7.5
272.06216	2.6
277.08734	0.6
281.12964	0.6
283.06085	1.1
283.10825	0.9
287.05521	2.2
299.14124	1.0
301.11749	4.9
302.15088	2.5
308.25775	0.8
313.07028	0.8
319.04660	0.8
320.16153	1.0
367.13147	1.5
369.37344	0.6
393.01254	1.6
397.13974	1.3
433.19510	9.0
433.25125	0.6
433.36414	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.5
59.77994	2.2
69.14456	1.8
70.06597	7.9
71.08625	6.4
71.50327	2.7
72.08154	6.3
79.05507	2.3
84.04510	3.9
84.08144	5.3
85.02909	3.7
86.09708	5.9
88.02224	4.1
88.10770	3.1
88.11275	35.4
93.07027	2.5
98.92055	2.1
98.97581	4.0
103.05472	7.6
120.08120	100.0
121.06526	13.5
127.03933	2.9
131.04916	2.7
136.07628	2.2
137.05946	2.2
138.05458	2.4
139.03952	3.4
149.06030	2.7
153.01819	10.2
164.07098	2.9
166.08667	52.5
177.05522	2.6
219.01743	2.5
219.83295	2.0
220.13823	2.1
252.12431	3.5
270.09689	2.2
281.10126	3.9
289.73407	2.4
390.04205	2.7
433.16766	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	433.1131
Annotation	Apigenin 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03946	1.7
54.63707	0.9
55.05515	1.1
55.78446	1.0
66.24484	0.9
68.99791	1.7
69.03449	0.9
70.06569	1.1
70.13470	3.8
79.05485	1.5
81.03432	2.0
81.07040	1.8
85.02911	3.2
86.09069	0.9
90.86762	0.9
93.07055	1.5
95.04943	1.5
97.02880	1.5
105.03369	1.1
107.04931	1.2
109.02878	2.3
119.04942	3.1
121.02860	10.5
121.06498	1.0
127.04023	1.0
135.04405	2.0
137.02368	5.5
145.02870	3.6
149.02299	2.0
153.01836	1.3
163.03922	3.3
165.01845	17.7
167.03412	3.4
177.01787	1.4
177.05428	1.3
179.03386	1.2
181.04930	1.2
183.02908	2.8
187.03926	1.3
191.03464	1.8
195.02946	1.4
205.04918	1.3
228.70239	1.0
229.04854	2.3
243.02792	1.6
255.06657	2.3
267.06467	7.2
270.05267	3.0
271.06024	73.8
272.06424	1.7
279.06915	1.2
281.08160	6.7
283.06036	100.0
284.06747	13.1
285.07330	1.5
293.08112	1.3
295.06033	11.1
295.09692	2.7
297.07611	4.9
305.08203	1.9
307.06122	1.6
308.06784	2.3
309.04156	1.3
309.07568	22.2
313.07080	76.8
321.07666	3.1
323.09146	17.2
333.07669	2.3
337.07101	38.8
349.07101	11.9
351.08655	3.2
361.07083	9.3
367.08145	20.3
379.08121	20.4
397.09158	20.0
415.10266	11.9
433.11328	18.7
433.20282	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01865	1.4
55.05513	6.4
57.03428	3.0
57.07066	1.7
61.02918	1.5
65.03941	0.9
67.05517	10.0
69.03437	4.8
69.07073	8.6
71.04993	1.6
71.08628	1.2
71.51328	1.2
73.02923	2.0
74.09924	0.7
74.20478	0.6
79.05499	6.1
79.75500	0.8
81.03428	3.6
81.07060	12.9
83.01321	1.0
83.04989	5.6
83.08624	4.3
85.02903	3.3
85.06529	1.7
87.04478	0.9
91.03909	0.8
91.05486	5.2
93.07049	14.7
95.04987	2.3
95.08612	13.4
96.08913	0.9
97.02882	3.2
97.06512	1.9
97.10161	1.6
98.07974	0.8
99.04455	1.7
99.08073	1.2
105.07032	6.5
107.04921	0.9
107.08611	5.3
109.02876	1.3
109.06501	1.5
109.10157	2.8
111.04458	4.5
111.11734	1.7
115.03935	0.9
115.05476	1.2
117.07014	2.7
119.08602	4.2
121.06507	2.2
121.10160	7.5
123.08055	10.0
123.11707	2.5
129.05461	1.3
129.06992	1.4
131.08562	5.4
133.10118	2.4
135.08057	7.7
135.11655	2.4
137.05969	2.2
137.13232	1.5
139.03879	1.7
139.11145	1.6
143.08609	1.1
145.10139	2.7
147.08055	1.1
147.11691	1.8
149.09587	5.1
149.13220	3.7
151.07549	100.0
152.07904	1.7
156.83368	0.7
157.10271	0.8
159.08052	3.0
159.11707	3.8
161.05995	1.1
161.09589	1.1
161.13258	1.1
162.06766	1.7
163.07501	1.1
163.11165	4.0
165.09149	2.3
173.09596	2.6
175.07632	1.6
175.11232	1.5
176.08305	4.7
177.09122	31.7
177.10686	1.5
177.12650	1.3
187.11172	1.8
187.14777	1.0
190.09897	1.5
191.10678	57.4
192.11069	1.4
195.13831	1.8
203.10672	2.1
205.12241	29.7
206.15298	1.1
217.12248	2.1
217.24205	0.8
219.13741	1.8
225.02179	0.8
239.14418	0.9
269.17490	6.6
283.10751	1.5
301.11697	1.5
413.34198	2.0
431.29428	1.6
431.35300	3.7
441.37500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	12.2
53.99693	2.8
55.01866	4.9
55.05509	17.9
57.03443	34.3
61.02932	75.3
65.03941	3.5
67.05510	70.8
68.88086	2.9
69.03438	49.0
69.07071	29.0
69.62209	19.4
70.27973	2.7
71.01344	7.6
71.04987	11.3
71.69085	2.8
73.02920	36.6
78.49950	2.7
79.05496	47.8
80.78293	2.9
81.03419	36.0
81.07064	100.0
83.04994	29.0
83.08621	13.9
83.73787	2.9
85.02910	61.9
85.06564	3.7
87.04453	3.5
91.03969	39.3
91.05483	32.8
93.07053	80.2
95.04980	13.8
95.08618	28.3
97.02900	56.1
97.06524	16.1
98.20792	5.7
98.98475	10.5
99.04468	11.0
99.08101	4.6
101.02395	17.4
103.03943	11.9
105.07046	26.8
107.04935	5.9
107.08608	35.3
109.02892	13.4
109.06521	8.0
109.10136	5.7
111.04423	5.3
111.08102	12.1
112.85452	2.7
115.03947	5.0
117.05504	6.1
117.07005	18.7
119.08600	8.7
121.06540	8.7
121.10142	26.6
123.11706	5.1
127.03942	27.8
129.05489	12.8
129.07039	6.3
131.08588	17.3
133.06439	4.1
133.10162	23.6
135.08080	5.8
135.11726	16.2
136.06184	4.1
139.03969	2.9
143.31483	3.5
145.04955	8.9
145.10123	3.9
147.11705	10.2
149.13268	53.4
151.07545	8.2
157.10143	3.8
159.11702	26.0
165.12816	3.9
171.11653	3.2
177.07552	3.7
177.12801	15.5
183.06560	5.0
190.62694	3.1
195.13841	50.5
201.07483	3.2
213.14766	3.9
219.13832	3.6
241.19460	3.4
249.14951	3.7
259.20648	8.1
263.88159	3.6
269.17499	83.8
278.72845	3.4
303.15967	4.6
321.17175	3.9
334.46548	3.0
357.19543	3.2
375.13660	2.9
395.20773	3.5
413.21725	4.7
431.22665	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37412	0.9
55.05517	4.9
57.03421	1.2
57.07080	22.1
65.17713	1.0
67.01867	2.0
67.05506	5.5
67.84074	1.0
68.05300	0.9
69.07069	8.1
70.76435	2.2
71.08635	16.5
74.08976	0.9
79.05493	1.3
79.79016	0.9
80.96388	1.0
81.07061	8.1
83.04961	2.8
83.08626	4.8
85.10174	7.2
91.05466	2.4
93.07060	6.3
95.08602	10.5
97.10180	3.2
99.11725	1.0
105.07020	3.5
107.08549	1.7
109.06526	5.5
109.10147	5.0
111.11707	1.6
119.08575	2.7
121.06510	2.1
121.10141	1.2
123.08093	5.3
123.11737	1.8
131.08594	1.9
133.10170	1.6
135.08023	2.0
137.05994	17.9
137.09628	1.6
139.07527	3.6
143.08620	2.3
147.08064	3.9
149.05992	4.5
151.07549	36.4
157.10158	1.5
159.08075	2.3
161.05980	4.7
161.09637	2.7
165.05522	10.2
165.09096	11.2
167.07051	100.0
174.06931	1.0
175.07587	6.6
175.11098	1.7
177.09151	6.2
179.07079	5.5
179.10712	3.1
181.08591	4.8
185.09613	1.3
188.08234	1.1
189.09129	8.1
189.12723	1.4
191.07080	1.2
191.10716	2.5
192.07845	2.6
192.60603	0.9
193.08586	10.5
195.10167	1.9
203.10655	5.9
203.14217	1.2
205.12009	1.9
207.10193	12.0
217.12337	4.8
221.11707	7.3
231.13832	1.4
235.13287	3.0
249.14908	2.1
259.16925	1.3
277.28888	1.1
347.25668	1.1
385.34579	1.4
403.35962	1.7
413.33926	4.3
420.00668	1.0
431.35236	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.9
55.01865	4.6
55.05512	24.1
57.03436	19.8
57.07078	3.2
61.02924	22.4
66.04353	2.2
67.05507	59.7
69.03429	27.6
69.07072	37.5
71.01350	3.9
71.04992	7.7
71.50746	3.0
73.02907	16.5
74.66861	2.3
78.32595	2.1
79.05495	37.5
81.03420	32.4
81.07057	77.9
82.03756	2.8
83.04983	26.9
83.08617	13.3
85.02909	32.6
85.06540	5.7
87.04466	2.2
91.03954	10.0
91.05471	32.6
93.07044	73.0
95.04964	8.4
95.08614	34.6
97.02898	31.0
97.06554	12.4
97.10177	4.4
99.04453	6.8
99.08076	3.2
101.02395	4.9
103.03946	4.9
105.07036	21.6
107.04945	4.9
107.08599	33.0
109.02874	10.5
109.06546	6.5
109.10168	9.3
111.04444	9.3
111.08096	7.0
111.11727	3.2
115.03904	4.4
115.05473	3.2
117.07026	12.9
119.08575	16.6
121.06509	6.0
121.09322	4.2
121.10152	43.5
123.04437	2.8
123.08077	10.2
123.11735	4.5
127.03894	14.2
128.06244	2.8
129.05504	10.5
129.06950	4.5
131.08594	17.2
133.06517	2.6
133.10112	13.0
135.08043	8.4
135.11711	12.3
137.05968	10.5
139.03937	4.2
139.11183	6.3
143.08568	3.9
145.04944	3.1
145.10114	6.2
147.08026	3.2
147.11713	11.1
149.09601	12.8
149.13271	28.1
151.03899	3.3
151.07547	100.0
155.08614	2.5
157.10164	3.5
159.08087	3.5
159.11736	19.2
161.05954	2.4
161.13213	3.9
163.07487	2.9
163.11217	3.7
165.09193	2.5
169.10109	2.6
171.11751	2.5
173.09596	4.1
176.08261	3.7
177.09119	24.3
177.12708	12.6
179.14246	3.6
185.13077	2.4
191.10678	43.5
195.13841	25.9
203.10760	2.9
205.12259	19.3
211.13342	3.4
213.14888	4.2
217.12352	2.9
219.13773	4.2
245.11627	2.2
251.16489	2.4
267.16138	2.2
269.17493	72.6
270.17749	2.6
281.13934	4.8
283.10785	7.7
301.11945	8.7
339.18076	2.5
384.13724	2.4
395.20663	2.4
413.21332	9.4
431.22662	12.2
431.27786	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	431.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
55.05510	10.8
57.03441	11.3
57.07065	4.4
63.91822	2.5
67.05510	31.7
69.07073	14.4
71.04993	4.1
71.47646	3.4
79.05499	37.0
81.07054	44.8
83.04992	2.9
83.08620	5.0
85.06565	4.4
91.05495	46.6
93.07048	52.1
95.04975	2.6
95.08616	30.3
97.06487	2.8
98.98472	100.0
99.94704	3.3
105.07043	51.6
107.08598	30.7
109.10177	10.2
113.09706	2.8
116.39024	2.8
117.07031	9.8
119.08584	53.7
121.10161	24.0
123.08042	4.8
129.05415	3.4
129.07028	8.3
131.08575	22.1
133.10133	37.4
135.08151	4.2
135.11708	18.8
143.08614	7.0
145.10156	17.8
147.08061	4.0
147.11702	33.2
149.09601	4.1
149.13284	8.2
151.07535	29.5
155.01001	3.7
157.10147	10.2
159.11711	12.8
161.13249	39.2
163.14807	5.9
171.11679	18.2
173.02129	23.3
173.13278	17.6
175.14856	25.8
180.09465	2.8
185.13242	14.4
187.14973	3.6
189.12839	3.1
191.10719	3.1
199.14867	8.6
215.17969	6.1
217.19518	9.4
231.21165	7.6
241.19511	58.3
243.21179	3.8
259.20605	76.3
277.21704	3.0
284.26913	2.8
289.21777	3.0
315.23270	6.0
333.20422	5.6
333.24252	87.8
431.26599	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.5
55.01873	8.4
55.05517	25.4
57.03436	22.5
57.07080	5.5
61.02932	25.6
66.75951	3.3
67.05508	56.5
69.03445	32.0
69.07073	72.5
71.01357	4.1
71.04986	6.9
71.50756	3.5
73.02927	25.0
73.29671	3.3
79.05500	41.9
81.03429	24.2
81.07067	89.6
83.04980	28.8
83.08615	17.3
85.02911	30.0
85.06513	4.9
89.75951	3.8
91.03957	14.4
91.05476	37.8
93.07047	100.0
95.04970	13.5
95.08613	40.2
97.02906	33.2
97.06532	13.2
97.10184	4.2
99.04434	10.4
101.02386	4.2
103.03929	6.5
103.05513	3.8
105.07022	23.1
107.04977	5.8
107.08596	29.6
109.02907	8.7
109.06506	9.5
109.10184	16.7
111.04456	5.7
111.08083	10.5
111.11720	13.7
117.07018	13.1
119.08572	22.2
121.06491	4.8
121.10160	66.1
123.11722	4.0
127.03925	14.7
129.05490	12.3
129.07037	9.2
131.08556	23.6
133.06487	4.6
133.10115	18.2
135.08060	6.1
135.11681	14.8
137.05965	18.1
139.11150	19.1
143.08559	8.0
145.10063	5.2
147.08012	4.9
147.11739	12.4
149.09625	19.4
149.13246	33.1
151.07561	7.8
153.05473	7.5
157.12215	5.1
159.11674	20.9
161.13249	6.6
173.09665	4.4
173.13196	4.4
177.09142	9.1
177.12785	14.6
195.13788	27.6
269.17517	66.6
281.13831	11.4
283.10828	5.4
339.18008	4.8
413.21600	8.4
413.30368	5.3
431.22659	7.7
431.32391	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	430.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90158	0.4
57.07079	2.7
58.22661	0.5
67.05514	2.8
67.62477	0.5
69.07050	0.6
71.00159	0.9
71.08624	2.1
72.08975	0.7
81.07047	1.0
85.10181	1.2
89.36228	0.4
91.05493	0.5
93.07039	1.4
94.07368	0.5
94.82260	0.4
95.08580	1.2
103.41566	0.4
109.10176	4.9
111.04465	0.5
119.08613	2.8
121.05666	0.8
121.06517	10.0
121.10088	0.5
122.07266	1.6
123.08077	0.7
135.08046	2.1
136.08846	13.2
137.09630	11.5
145.10138	0.6
147.00934	0.5
149.09630	3.7
150.09987	0.7
152.08318	1.1
159.11729	0.8
163.11197	1.9
164.08344	34.0
164.11504	1.1
165.09122	100.0
166.09453	8.3
173.09695	0.8
173.15788	0.5
175.11302	0.5
177.09129	2.4
178.09700	0.9
187.11099	0.7
190.10072	0.6
191.10666	1.8
192.10986	0.8
201.12674	0.6
205.12257	8.1
206.12587	0.6
219.13977	0.5
233.15405	0.5
286.13284	0.4
349.14069	0.4
424.12482	0.5
430.38046	82.5
431.38229	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	431.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.6
51.02380	1.2
53.03942	3.5
55.01876	0.8
55.05504	1.2
55.61703	0.4
65.03938	1.1
67.05509	2.8
69.03413	1.1
71.15800	0.9
72.08133	0.5
77.03936	1.1
79.01850	4.7
79.05495	2.5
81.03416	0.9
83.04979	3.9
85.72500	0.5
86.09705	1.1
91.05483	0.6
93.03417	0.5
95.04968	11.0
97.02894	1.3
105.03392	57.9
105.04534	2.4
106.03729	0.7
107.01319	1.1
109.02834	0.6
111.04450	4.5
117.05477	0.5
121.06549	0.5
123.04458	3.5
124.03907	0.5
125.02338	2.9
127.03947	0.9
139.03897	1.8
141.57533	0.5
143.03401	4.9
147.04393	1.0
153.01831	100.0
153.02872	5.4
154.02213	1.1
158.84137	0.5
171.02855	1.1
183.13826	0.6
203.71103	0.6
261.07590	27.6
262.08087	0.7
268.08215	0.6
309.06024	7.6
431.09506	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	430.1613
Annotation	CHEBI:71523
Peak:m/z	Relative Intensity
53.03933	1.1
55.05509	1.9
56.05041	1.2
57.03448	1.4
67.05508	2.8
67.70911	1.1
69.03423	1.4
69.07063	1.6
69.66011	3.4
69.66423	2.9
69.88528	1.2
70.06594	2.9
72.08164	2.1
79.05490	1.4
81.03437	1.8
81.07072	4.3
83.04973	1.3
86.09703	1.5
87.55499	1.1
91.05485	2.3
93.07053	2.0
95.08628	2.6
97.02913	1.2
104.95558	1.0
107.08621	2.1
109.06524	1.8
110.28739	1.1
118.98055	1.0
121.06498	2.2
121.10147	1.2
123.08160	1.5
130.08702	1.2
133.10138	1.8
135.08130	1.2
140.04980	3.8
143.08572	1.4
145.10167	1.4
151.07532	5.8
152.07915	1.5
153.01826	2.7
154.06522	1.3
155.06058	18.0
166.06552	1.3
167.06027	5.4
168.06886	2.7
169.07634	32.8
170.06029	3.6
177.09149	1.6
179.06032	11.2
181.07617	3.9
182.08372	1.7
183.05569	17.1
183.09293	1.8
185.07129	9.7
191.10732	3.1
193.07629	10.3
195.05562	23.9
196.06383	12.3
197.07137	24.5
198.05515	7.0
201.06566	1.9
205.12283	1.7
207.05577	5.6
208.06427	2.3
209.07173	4.7
210.07962	1.5
211.05066	3.8
211.08624	6.6
212.07254	1.3
213.06621	18.5
221.07111	18.2
225.06606	46.7
227.08141	1.3
229.06131	17.0
237.06575	4.4
238.07478	4.1
239.04550	4.0
239.08176	23.2
241.06137	2.9
243.07509	5.2
249.06578	9.0
253.06172	10.4
255.07639	2.7
256.08289	1.2
257.05606	4.5
265.06067	2.0
266.06778	1.5
267.07629	14.1
267.09952	1.4
269.05591	3.6
271.07132	26.6
277.06122	12.2
285.08719	29.1
295.07169	30.8
313.08191	33.5
324.13303	8.3
331.09219	7.0
348.13422	3.4
366.14413	16.6
370.13986	44.9
384.15616	33.7
412.10034	0.9
412.15063	40.1
430.16150	100.0
431.16553	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.36810	0.8
55.05498	3.2
57.07077	19.1
57.69867	1.1
62.02452	0.9
67.05503	4.5
69.07053	3.7
71.08636	14.8
71.25475	2.1
77.16595	1.0
78.80743	0.9
79.05494	1.9
81.07067	7.6
83.08620	2.6
85.10185	6.1
88.34830	0.9
91.05482	2.9
93.07043	3.0
95.08602	5.3
96.55314	0.9
97.10184	1.9
105.07040	2.9
107.08596	5.7
109.10152	8.4
111.04430	1.1
119.08614	5.0
121.10136	4.1
122.07277	1.2
131.08598	2.9
131.12019	0.9
133.10107	1.8
133.58334	0.9
135.08035	6.6
135.11697	2.1
137.05974	1.6
137.09602	8.0
139.07542	2.1
145.10103	2.9
149.09619	14.6
149.13188	1.0
151.07581	1.8
159.11714	3.7
162.06740	1.4
163.11198	20.6
164.11401	1.0
165.09117	100.0
166.09450	1.6
173.09604	2.0
173.13283	2.2
175.11250	5.9
176.08337	2.0
177.09142	13.8
177.12758	3.0
179.10709	1.6
187.11220	3.2
189.12770	1.3
191.10645	11.4
201.12766	2.9
203.10646	1.7
203.14308	2.3
205.12218	11.6
206.95569	1.0
208.14505	1.0
215.14226	1.6
219.13826	6.1
233.15404	3.0
247.17059	1.1
257.57346	0.9
261.18390	1.1
269.21179	0.9
289.21558	1.5
303.23392	2.1
317.24887	1.6
393.67645	0.9
401.34189	3.4
410.14291	0.9
411.36502	1.5
429.37326	36.9
430.37833	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	430.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.7
55.05500	0.9
69.03428	2.0
69.99507	1.4
70.06599	4.6
72.08180	0.7
73.04755	0.5
75.56344	0.3
79.01850	1.8
80.43748	0.4
81.03428	3.6
84.08163	0.8
85.02913	2.8
86.09704	0.6
89.44725	0.4
97.02883	2.3
98.06066	9.9
99.04502	0.4
105.07062	0.8
109.02863	2.0
116.07102	100.0
117.07461	0.9
125.02386	1.5
126.56896	0.4
127.03902	3.5
138.09146	0.5
139.03888	0.6
143.03432	2.6
145.05049	0.4
153.01845	51.1
153.02887	2.8
154.02197	0.9
171.02878	3.8
198.38492	0.4
206.44518	0.4
217.00731	0.4
268.08002	0.4
268.11816	0.4
278.12393	4.1
297.06042	3.7
315.07050	2.6
339.37350	0.5
360.03079	0.6
388.46881	0.4
430.13361	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.76557	0.5
53.03974	0.6
55.05497	1.9
57.06823	0.7
57.07078	5.5
57.72679	0.4
66.22897	0.5
67.05509	2.6
69.03393	0.5
69.07069	3.0
70.57497	1.7
71.08629	3.5
73.04752	0.5
79.05482	0.9
81.07059	5.1
83.05001	0.7
83.08614	1.7
85.10201	2.2
85.75907	0.4
88.96481	0.4
91.05462	0.8
93.07046	1.3
95.08610	3.7
97.10158	1.5
100.50494	0.4
104.43262	0.5
104.73658	0.5
104.83120	0.4
105.07023	1.0
107.08579	1.3
109.10162	4.4
111.11710	0.7
112.99999	0.9
119.08591	2.4
121.06465	0.8
121.10149	1.7
122.07274	1.1
123.08017	1.0
123.11729	0.7
123.32474	0.4
125.05992	1.3
131.08537	0.6
135.08054	2.3
135.11690	0.7
136.08797	1.1
137.09618	8.3
145.10097	1.6
149.09627	7.0
151.07555	2.0
154.18942	0.4
159.11697	1.7
161.09521	0.8
162.06750	0.6
163.11179	6.0
164.08351	1.2
165.09122	100.0
166.09482	1.0
173.09625	1.4
173.13202	0.6
175.07492	0.7
175.11188	1.4
176.08409	1.1
177.09134	4.6
177.12799	1.2
179.10666	1.5
187.11198	2.1
189.09013	0.6
190.09875	2.5
191.10686	5.7
203.10599	0.6
205.12256	17.4
219.13782	1.5
233.15311	0.9
401.33893	0.5
408.48633	0.5
411.36288	0.6
429.32162	1.2
429.37274	15.0
430.38196	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	429.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05267	0.4
55.05509	4.0
57.03409	0.7
57.07053	1.2
58.82984	0.4
67.05506	7.9
69.03417	1.4
69.06738	0.4
69.07072	6.9
71.05010	0.4
71.50474	0.3
73.04737	0.6
79.05505	2.8
81.03413	0.5
81.06596	0.6
81.07060	12.5
83.01321	0.6
83.04979	0.9
83.08632	2.1
85.06539	2.2
91.05450	2.1
93.07039	4.5
93.17969	0.3
95.04931	0.8
95.08608	14.5
97.02856	0.4
97.06503	0.6
97.10155	2.1
99.08094	1.4
103.01853	0.3
105.07028	3.2
107.04979	0.4
107.08589	3.0
108.05710	0.6
109.02859	0.4
109.06503	0.8
109.10162	5.3
111.04448	2.1
111.08073	0.6
111.11710	1.9
113.09667	0.5
115.05428	0.4
117.06995	0.7
119.08582	1.8
121.06506	1.3
121.10138	3.0
123.08071	9.7
123.11714	4.6
125.09589	0.5
127.11217	0.8
129.06953	0.4
131.08577	1.5
133.06442	0.5
133.10118	1.3
135.08061	6.9
135.11722	1.6
137.05948	2.2
137.09636	0.5
137.13251	1.8
138.06866	0.3
139.03900	1.0
139.11183	0.4
145.10126	2.1
147.11681	1.1
149.09587	2.0
149.13266	2.5
151.07544	100.0
152.07907	1.4
153.12772	0.4
155.08612	0.5
155.10670	0.5
157.10181	0.6
158.07292	0.5
159.00420	0.4
159.08063	1.4
159.11679	0.9
159.82234	0.3
160.08746	0.5
161.05983	1.0
161.09644	2.3
162.06770	1.1
163.07500	1.0
163.11218	2.8
163.14847	0.8
164.23421	0.4
165.09109	4.0
165.79414	0.4
171.11690	0.5
172.08827	0.6
173.09604	2.7
174.10431	0.4
175.07495	2.0
175.11238	2.5
176.08339	2.6
177.09109	17.3
177.12650	0.6
177.16402	0.5
179.10692	0.5
185.09578	0.4
187.11200	1.2
188.08351	0.9
189.09122	4.1
189.12698	1.7
190.09882	1.2
191.10674	42.3
192.10950	0.5
193.05052	0.4
199.11145	2.5
201.09186	0.4
201.12761	1.0
202.09904	1.0
203.10678	5.9
205.12241	16.3
213.12761	0.6
215.10687	1.3
215.14301	0.9
217.12218	3.0
219.13928	1.2
229.12326	0.5
231.13794	4.1
243.13806	0.8
245.13196	0.3
245.15358	2.6
257.15329	0.7
259.16891	0.5
261.18478	0.4
265.25363	0.7
271.17026	0.9
285.18491	1.6
291.26749	1.0
303.19461	1.6
321.05981	2.0
359.03308	0.4
392.83987	0.4
411.12924	0.3
411.32980	1.9
429.29517	0.6
429.33759	14.0
430.34232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.05512	2.4
57.03440	5.4
57.07072	1.7
60.04523	0.7
65.74666	0.6
67.05508	8.6
68.39134	0.5
69.07072	1.9
69.85666	2.4
69.86079	1.1
71.08627	0.9
75.89321	0.6
79.05490	5.9
81.03415	0.9
81.07059	10.3
83.08621	1.5
84.42661	0.5
87.08116	0.7
88.07629	0.7
91.05473	4.9
93.07050	10.0
95.08604	7.0
97.06515	0.7
98.20960	1.2
98.21503	0.8
98.98488	1.1
105.07016	3.6
107.08594	7.4
109.10181	4.1
113.00021	100.0
117.07021	1.6
119.08575	3.0
121.10147	5.8
123.11700	1.7
125.09547	0.7
131.08588	4.5
133.10139	2.7
134.18082	0.6
135.11703	4.7
137.13289	0.7
140.56268	0.6
145.10129	3.0
147.11688	2.1
149.09560	1.0
149.13248	4.7
151.14786	0.7
155.01074	1.0
159.11713	3.1
161.13286	1.8
163.14822	2.5
169.02618	90.2
173.13358	2.8
175.14818	1.0
177.16370	1.0
180.83766	0.5
187.14851	1.7
233.22685	1.0
243.21101	7.0
261.22174	19.6
262.22482	0.6
275.23615	0.6
385.45749	0.6
388.62518	0.6
429.24152	1.0
429.37387	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2122
Annotation	Carolenalin 4-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03955	6.2
53.62634	1.3
55.01865	2.6
55.05509	11.6
55.15456	1.2
57.03440	11.9
57.07061	1.4
67.05507	15.4
68.26740	1.2
69.03435	18.8
69.07050	4.8
70.95897	2.3
71.01344	1.2
71.04975	3.9
73.02920	3.0
73.04739	1.6
76.75188	1.1
79.05492	12.2
81.03422	59.2
81.07063	16.0
83.04989	13.8
83.08630	15.2
85.02911	12.5
85.06531	2.3
87.04450	1.6
91.05489	15.3
93.07040	10.8
95.04968	17.9
95.08607	14.1
97.02901	33.1
97.06539	1.6
97.10170	2.9
97.61713	1.2
99.04440	4.5
101.02373	1.9
103.03956	1.4
105.07052	11.1
107.04936	4.4
107.08582	6.1
109.02866	7.4
109.06513	3.9
109.10159	4.4
111.04425	5.5
111.08078	7.9
117.95846	1.2
119.08603	9.9
121.06518	2.5
121.10141	6.6
123.08067	11.9
123.11699	2.3
125.09614	3.0
127.03938	9.0
129.05461	2.4
129.07011	6.2
131.08591	9.3
133.06488	2.4
133.10110	5.1
135.08084	1.7
135.11688	2.6
135.88562	1.2
137.05981	3.4
139.03880	1.8
142.07790	1.7
145.06491	1.3
145.10124	3.0
147.08035	1.8
147.11694	7.8
149.02335	2.0
149.09622	3.9
151.07547	100.0
157.10167	7.8
163.11189	3.6
165.12737	3.0
175.11253	9.8
177.09135	6.5
181.12244	2.4
191.10701	15.7
193.05037	1.4
193.12247	47.4
195.50981	1.1
203.10693	2.1
205.12215	5.9
209.11534	1.4
209.75584	1.2
211.13303	68.8
215.10603	1.7
217.12227	1.3
221.15167	1.2
224.71794	1.2
227.12781	2.8
229.14412	2.0
231.13770	1.4
235.13364	1.6
249.14896	5.2
267.15918	2.2
285.16922	12.5
296.91031	1.4
313.16397	1.7
334.52127	1.6
337.16547	2.3
355.17636	2.9
393.18994	1.9
411.20346	1.6
429.12338	1.7
429.21237	40.1
429.33597	7.6
430.21695	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	22.5
56.05019	4.5
57.03435	3.5
57.06837	1.5
57.07081	26.4
58.06586	5.8
60.04528	33.9
67.05499	5.2
68.05035	3.7
69.07067	2.5
69.45242	11.1
72.04517	2.8
72.08179	1.8
74.06089	30.6
79.05482	6.3
81.07052	9.8
83.08622	5.0
86.06052	8.5
87.08111	96.8
88.07635	25.8
91.05479	4.0
93.07039	5.3
95.04996	2.1
95.08615	7.2
97.10162	2.0
98.20740	1.6
98.21304	5.0
105.07031	3.4
109.10171	3.5
113.00021	33.1
119.08555	2.2
121.06487	1.7
121.10154	2.5
131.08597	1.7
133.10107	3.4
135.11716	3.3
139.03918	6.2
142.12260	15.7
144.81209	1.3
147.11673	2.0
163.03845	1.6
169.02623	27.3
174.14893	22.3
181.06464	1.9
261.22079	8.1
275.23666	1.6
280.26349	5.3
290.10248	2.7
298.27423	5.5
324.28964	7.4
326.26599	1.8
342.30032	14.6
393.09964	1.9
396.34839	24.1
410.12518	2.0
428.17020	2.6
428.37375	100.0
429.37866	2.1
438.13037	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21740	8.2
59.21649	7.1
70.06618	11.8
70.07342	31.2
82.06587	49.0
84.08157	14.0
93.34319	8.6
116.07142	9.2
121.06548	16.4
153.01825	18.2
238.25174	8.5
241.00626	9.0
245.09903	14.9
269.09906	24.1
287.10922	15.7
298.95929	8.0
369.05505	12.6
429.07986	100.0
429.13239	13.9
429.20401	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	429.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27543	1.9
53.03937	8.4
55.01862	6.4
55.05315	1.5
55.05516	16.7
57.03451	14.5
59.01704	1.9
59.05013	2.6
67.05511	18.9
69.03433	29.9
69.07066	9.3
70.49770	1.8
71.04997	9.2
71.51723	2.4
73.02929	3.9
73.04744	1.9
79.05494	19.4
81.03423	88.3
81.07053	26.2
83.04982	20.6
83.08622	22.5
85.02919	20.1
85.06531	4.6
91.05457	23.7
93.07061	16.4
93.65760	1.9
95.04981	20.7
95.08614	10.4
97.02299	3.4
97.02898	57.6
97.06495	5.1
97.10172	4.9
99.04456	8.9
103.03904	2.6
105.06463	2.1
105.07039	17.2
107.04971	7.4
107.08593	9.7
109.02895	14.5
109.06517	5.7
109.10143	5.7
111.04449	11.2
111.08089	10.5
117.07056	3.3
119.08594	14.5
120.12061	2.1
121.06474	6.4
121.10167	11.2
123.04424	3.2
123.08049	4.4
123.11677	4.2
125.09639	6.4
127.03915	13.0
129.05482	4.8
129.07005	9.4
131.08574	9.8
133.06491	3.5
133.10117	9.0
135.08060	4.4
137.05956	6.5
139.03865	2.5
142.07843	2.7
145.04996	2.5
145.10107	6.8
147.08080	2.3
147.11685	16.1
149.02347	8.3
149.09593	6.8
151.07547	20.8
157.10121	12.0
159.11678	3.4
163.11172	5.0
165.09145	3.6
165.12714	4.0
169.10046	2.3
173.13263	2.2
175.11166	14.1
177.09111	5.3
183.06561	2.7
189.09254	2.3
191.10690	14.4
193.04991	7.5
193.12238	61.5
205.12234	5.1
211.13301	100.0
227.12686	3.5
229.14349	3.8
235.13271	2.3
237.07509	2.7
247.12920	2.2
249.14864	8.3
267.16010	2.9
273.14847	2.0
276.38052	2.2
285.16879	17.1
313.16495	2.4
329.17349	2.0
337.16412	3.3
351.17981	3.2
355.17310	4.0
359.03064	2.5
385.09357	2.5
411.20010	4.2
424.21204	2.4
429.11761	7.7
429.21225	60.8
443.65750	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
57.07074	0.7
67.05505	3.1
68.67973	0.5
69.07075	3.5
70.07395	0.5
71.08614	0.6
71.51167	0.5
79.05477	0.7
81.07035	2.2
83.08601	1.0
87.04425	0.7
91.05457	0.6
93.07034	1.6
95.08600	1.3
97.10175	0.6
103.27560	0.6
107.12595	0.5
109.10162	6.0
109.77105	0.6
110.15905	0.5
119.08591	3.1
121.06503	9.8
122.07302	1.9
135.08087	0.9
136.08844	11.6
137.09628	12.3
149.06110	0.5
149.09625	2.1
151.07547	1.0
152.08319	1.5
162.06754	0.6
163.11252	1.1
164.08342	34.8
165.09119	100.0
166.09462	5.0
177.09143	1.6
178.09839	0.8
187.11105	0.8
189.09102	1.0
190.09845	0.9
191.10669	1.4
203.10695	1.1
205.12259	8.4
428.36520	73.5
429.37134	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01865	1.4
55.05494	0.8
57.03432	1.2
65.03944	1.1
65.41972	0.7
67.05512	1.1
68.99784	2.7
69.03421	4.1
70.06586	1.8
70.67630	2.4
72.08162	9.2
79.05479	0.9
81.03385	1.4
81.07040	1.1
82.90371	0.7
83.04989	2.0
85.02887	3.2
89.03907	1.6
90.09168	1.0
90.68984	0.8
91.05487	1.4
93.03413	1.1
95.04969	1.8
97.02895	4.1
100.31584	0.7
109.02906	1.1
109.06557	0.8
111.04447	5.1
112.03942	0.9
117.03377	8.8
120.08139	1.4
121.02834	1.4
121.06479	1.5
123.04415	6.8
125.05882	1.0
126.05592	0.9
127.03899	1.2
128.05286	0.8
129.06999	0.9
135.04419	1.1
137.05977	2.1
139.03908	100.0
140.03346	1.5
140.04297	1.7
143.08559	1.0
145.02856	37.8
145.06519	0.9
149.06030	4.4
151.03894	8.9
153.05449	10.0
153.06935	2.2
154.04970	1.1
155.04906	1.3
157.06551	1.6
163.03917	16.6
165.05518	8.3
167.07005	5.5
168.08081	1.0
169.06477	2.2
170.60629	0.9
171.08005	3.7
173.05975	2.4
177.05475	88.2
178.05881	0.9
179.03352	1.2
179.06963	1.0
181.06473	8.7
183.04434	2.4
184.05309	1.0
185.06012	2.4
189.05524	1.8
193.04930	1.5
197.05966	2.7
199.03912	1.5
199.07570	5.5
200.07111	1.0
201.05482	11.4
202.06239	1.7
203.07051	1.6
205.04935	1.0
208.07564	1.7
209.06046	4.1
210.09142	1.9
211.03917	1.2
212.07101	1.5
214.08607	2.2
215.07138	4.3
216.06781	1.0
217.04959	3.0
217.07050	1.1
219.06480	1.1
221.06065	1.0
224.07083	3.5
225.05666	1.5
225.07817	6.8
226.08568	3.5
227.07033	7.1
228.06532	1.1
229.05075	7.7
230.05791	1.6
230.07982	1.6
231.06494	4.8
233.08159	0.9
237.05434	2.9
238.08635	3.4
239.07013	2.3
242.08134	3.4
243.06508	7.0
243.08842	2.0
244.09740	2.5
245.08078	3.1
246.07565	1.9
252.06500	1.3
253.07430	2.2
254.08156	6.6
255.06413	3.8
256.09775	2.4
259.05920	1.2
260.09305	1.3
266.07980	1.1
266.13898	25.0
267.06339	1.2
270.07602	8.5
271.08356	2.6
272.09186	9.3
273.07541	20.5
282.07693	2.3
284.09106	2.1
289.07004	3.8
290.10229	33.3
329.07901	1.5
347.09076	3.3
364.11710	2.3
365.10370	1.2
367.07516	0.9
375.08646	5.9
382.12756	1.0
383.11288	1.5
392.11447	1.6
393.09714	13.1
410.12341	41.8
411.10791	7.8
428.13510	4.8
428.18295	1.1
428.20972	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.7
65.03928	1.7
67.05505	1.3
68.99787	2.3
69.03413	2.3
69.37715	5.9
70.06589	1.2
81.03419	1.1
83.04996	1.7
91.05487	1.5
93.03401	2.1
94.06605	0.7
95.04958	1.1
97.02924	0.9
102.27660	0.7
107.04968	1.2
108.11900	0.7
111.04459	4.1
115.05449	0.8
121.02847	0.7
121.06504	2.4
123.04448	6.6
125.05930	0.9
129.07031	1.1
137.06001	2.0
139.03905	100.0
141.05537	1.1
143.08531	1.0
151.03899	7.6
153.05476	9.0
153.06963	2.1
153.37924	0.7
155.04868	1.3
157.06462	0.7
163.03902	18.9
165.05495	9.4
167.07014	4.4
169.06549	2.8
169.55112	0.8
171.08064	3.6
173.05965	1.8
177.05463	1.3
181.05011	1.2
181.06477	7.8
183.04399	2.7
185.06026	2.5
187.07497	1.4
189.05475	2.3
196.07617	1.8
197.06009	4.2
197.08374	1.1
198.09105	1.4
199.03822	1.5
199.07607	6.0
200.07095	1.3
201.05487	11.2
202.06152	1.4
203.07033	1.6
205.04919	1.3
208.07588	2.1
209.05969	4.5
210.09180	1.4
211.03972	1.6
212.04701	0.9
212.07047	1.0
213.05504	1.6
214.08714	2.0
215.07065	5.3
217.04939	2.4
217.08678	0.8
219.06609	1.2
221.06053	0.9
224.07108	2.8
225.05467	2.9
225.07831	6.1
225.44919	0.7
226.06398	0.8
226.08551	3.6
227.07045	7.2
228.06734	1.3
229.04979	6.3
229.07155	1.2
230.05800	2.1
230.08162	2.2
231.06528	5.0
237.05505	3.1
238.08606	4.9
239.07039	1.5
242.08093	3.5
243.06567	6.2
243.08746	1.5
244.09724	2.2
245.08054	2.7
246.07762	1.1
252.06566	1.1
253.07359	1.3
254.08154	5.3
255.06422	5.7
256.09644	1.5
257.10358	0.8
258.07367	0.9
260.09210	1.3
266.08170	1.0
267.06506	1.0
270.07584	8.8
271.08417	3.1
272.09174	10.5
273.07562	15.8
282.07654	1.2
284.09198	2.1
290.10229	31.7
329.08035	2.0
347.09183	3.5
364.11734	3.2
365.10339	0.8
375.08627	7.5
381.09766	0.9
382.12747	1.0
383.11346	2.7
393.09714	17.3
410.12354	44.6
411.10712	7.7
428.13403	8.8
428.19620	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	428.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01858	1.1
55.05473	1.2
65.03911	1.1
67.05501	1.0
68.99798	1.6
69.03445	2.5
69.86980	2.5
69.87386	4.4
73.17526	1.2
83.04966	2.1
86.01256	1.1
93.03388	1.5
95.04967	1.8
97.02872	1.2
111.04433	4.5
123.04427	6.5
132.74498	1.0
137.05946	1.6
139.03908	100.0
140.04202	1.4
151.03897	7.3
153.05453	9.5
153.06912	2.5
155.04964	2.3
155.06036	1.3
155.68208	1.1
163.03922	19.2
165.05505	9.5
167.07083	4.2
169.06476	1.5
171.07999	3.7
173.06012	2.1
173.93889	1.0
180.08289	1.1
181.05074	1.7
181.06450	8.0
183.04390	3.0
184.07375	3.0
185.05972	2.3
187.07469	1.7
189.05453	2.0
190.05145	1.1
193.04984	1.8
196.07596	1.4
197.05965	4.3
199.03731	1.2
199.07558	6.1
200.07022	1.6
201.05481	9.8
201.07098	1.3
202.06212	1.3
208.07547	3.0
209.06024	5.2
210.09186	1.9
211.03775	1.5
212.07053	1.7
213.05411	1.7
214.08575	2.5
215.07088	6.2
217.05118	1.9
217.07251	1.8
219.06468	1.8
221.05902	1.2
224.07071	3.4
225.05641	1.8
225.07719	7.0
225.92180	1.2
226.08630	3.5
227.07047	7.4
229.04962	6.8
229.07222	2.1
230.05809	1.4
230.08171	2.8
231.06487	5.6
237.05540	2.6
238.08621	4.3
239.07013	1.9
242.08099	3.4
243.06512	5.4
243.08899	3.4
244.09595	3.5
245.08302	2.6
253.07359	1.6
254.08191	7.6
255.06535	6.0
256.09634	1.6
260.09021	1.6
267.06595	1.5
270.07526	9.9
270.74225	1.1
271.08307	4.2
272.09091	9.1
273.07581	24.2
284.09134	3.4
290.10242	40.7
291.10431	1.3
347.08945	3.9
364.11633	2.4
375.08597	8.5
382.12683	1.7
383.11209	2.3
392.11526	1.3
393.09708	20.8
410.12366	52.7
411.10611	8.1
428.13376	6.8
444.43454	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05276	0.7
55.05515	10.1
57.07085	5.6
58.07401	0.7
58.78632	0.7
64.01507	0.7
67.05509	5.2
69.06728	1.2
69.07071	16.0
69.26572	3.2
69.26994	3.1
71.08634	4.8
79.05499	1.8
81.07063	8.7
83.08625	12.4
85.10190	1.9
91.05473	1.7
93.07050	3.3
95.08613	7.7
97.10175	6.4
105.07030	1.9
107.08614	3.8
109.06562	0.8
109.10178	8.3
111.11749	3.5
111.20406	0.8
119.08577	3.9
121.10123	2.7
123.11709	1.7
125.05934	1.0
125.13253	1.6
129.06992	1.0
131.08582	1.4
133.10172	1.4
135.08061	2.2
135.11687	1.5
137.09630	8.5
139.07535	1.4
143.08636	0.9
145.10155	1.3
147.11699	1.0
149.09634	10.5
149.13300	2.4
151.07535	1.8
157.10080	0.9
159.11700	1.0
160.08839	0.8
161.09622	1.0
163.07520	1.5
163.11188	3.4
164.08388	1.0
165.09123	100.0
165.16591	0.9
166.09470	1.2
171.11720	0.9
175.07555	1.4
175.11169	2.2
176.08331	1.2
177.09096	5.7
179.10715	2.7
185.13300	1.0
187.11246	0.9
188.12006	1.2
189.09111	4.5
189.12740	2.7
190.09776	1.1
191.10690	7.0
194.28745	0.7
201.12733	1.6
202.09872	1.1
203.10652	7.2
203.14302	1.7
205.12256	11.5
213.12817	0.9
217.12207	1.7
219.13838	3.0
231.13766	2.7
233.15480	1.2
245.15399	2.5
265.19849	0.8
275.57034	0.8
301.21695	1.1
409.34271	0.8
427.20023	0.9
427.35602	11.7
428.36484	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	2.2
55.05514	60.5
57.03441	21.9
57.07078	54.1
67.05505	24.3
69.07068	75.1
69.27791	20.6
71.08633	37.5
75.69941	2.0
79.05486	12.4
79.31052	1.9
81.07059	29.0
82.07351	2.1
83.04976	3.3
83.08621	47.4
85.10188	19.1
85.37851	2.0
88.88205	1.9
93.07042	13.6
95.08603	32.4
97.06551	10.1
97.10160	32.5
107.08602	9.5
109.10151	16.4
111.08103	5.8
111.11719	8.4
115.07619	2.6
121.10137	13.4
123.11717	6.7
125.09653	6.5
125.13277	2.6
133.72627	2.1
135.11684	10.5
137.13202	4.4
139.11186	6.8
149.13297	9.2
151.07591	2.5
153.12730	7.0
163.14870	5.2
165.09140	9.4
167.14323	3.6
181.15906	2.4
191.18013	3.8
195.17476	2.8
205.19514	2.7
251.23895	2.5
317.32117	7.8
335.33093	19.1
409.36682	17.7
427.37875	100.0
428.38092	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	427.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
55.05513	34.2
57.03437	19.3
57.07084	43.2
58.55330	1.9
66.93267	2.0
67.05512	38.1
68.25735	2.1
69.07073	46.1
69.32011	12.2
69.32420	5.1
71.05013	2.6
71.08640	27.7
79.05507	15.7
81.07060	51.8
81.07534	3.2
83.04984	5.0
83.08627	39.9
84.61481	1.9
85.06558	3.5
85.10175	14.2
85.90401	2.1
86.75582	2.1
90.29720	1.9
91.05488	3.7
93.07043	22.0
95.08614	61.0
97.06535	11.5
97.10181	30.3
98.06860	2.0
103.55254	2.2
105.07039	5.0
107.08604	17.2
109.10172	23.5
111.08084	10.9
111.11745	9.2
115.07587	2.1
119.08601	2.5
121.10155	24.2
123.11755	12.6
125.09620	10.5
125.13276	3.4
129.09132	2.7
133.10155	4.7
135.11714	22.3
137.13283	6.3
139.11223	9.3
143.08589	2.6
145.10181	2.9
149.13297	8.5
153.12791	5.3
157.12280	3.1
163.14851	6.7
167.14331	4.7
175.14836	3.4
177.16464	5.5
181.15976	5.3
183.11549	2.4
185.15388	3.5
191.18030	3.6
205.19618	2.1
223.20755	3.8
235.20755	2.3
238.87724	2.5
255.23543	2.4
289.29007	6.5
299.27524	2.8
303.57596	1.8
307.29977	12.3
317.28467	12.7
335.29449	21.5
353.30594	2.5
371.31592	40.2
409.33167	12.3
420.18735	2.3
427.30261	6.7
427.34396	100.0
428.34778	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	427.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52445	0.2
55.01858	0.2
55.05953	0.2
57.04548	0.4
62.24212	0.2
70.06585	0.6
71.09898	0.4
79.05482	0.2
81.03371	0.3
81.07043	0.3
82.06568	0.6
85.02901	0.3
89.53797	0.2
94.04062	1.4
95.04967	0.2
97.02906	0.2
113.07124	0.7
117.03399	0.2
118.85999	0.2
120.08074	0.2
123.06670	1.2
124.07583	0.4
126.05477	0.2
128.07086	3.2
129.07410	0.8
133.05093	0.5
139.03885	0.7
142.08640	1.2
143.08998	0.5
145.02815	0.6
145.10133	0.2
146.06013	0.2
147.04433	0.2
147.09138	0.2
148.06160	0.2
150.07756	100.0
151.08047	0.8
153.01837	0.5
163.03918	0.2
177.05498	1.1
179.03595	0.3
188.09209	2.3
189.09497	1.6
234.99057	0.2
282.11932	0.7
295.11508	18.9
296.11899	0.5
314.43954	0.2
356.06567	0.2
427.11945	0.7
427.19952	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	427.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31359	0.4
51.61553	0.4
52.14347	0.3
53.03922	0.6
55.05510	3.3
57.03446	0.4
57.07073	1.0
58.98503	0.4
59.05014	0.5
67.05511	5.7
67.19920	0.4
69.03419	1.7
69.07070	14.9
69.87908	2.0
70.06589	0.8
70.28949	0.4
71.04975	0.7
75.89522	0.3
79.05482	2.0
81.07058	9.4
83.01347	0.4
83.04984	1.3
83.08623	1.2
85.02926	0.6
85.06532	0.8
91.05487	2.0
93.07047	4.2
95.04967	1.0
95.08610	11.0
97.06527	1.2
97.10177	1.2
103.38297	0.3
105.07037	3.4
107.04969	0.7
107.08591	2.8
108.05745	0.8
109.06522	0.9
109.10159	5.8
111.04445	1.7
111.08057	0.5
111.11723	3.3
119.08568	1.7
121.06503	1.4
121.10153	3.2
123.04433	0.5
123.08083	9.8
123.11714	5.5
125.09597	0.8
131.08591	1.0
133.06488	0.5
133.10109	1.4
135.08061	4.9
135.11696	2.2
137.06000	0.9
137.09636	0.7
137.13208	0.6
139.03932	1.9
139.11176	3.3
145.10150	1.6
147.07941	0.5
147.11690	1.1
149.06003	0.4
149.09572	0.7
149.13260	0.8
151.07547	100.0
152.07875	1.4
153.12755	1.5
157.10117	0.4
158.07265	0.5
159.08051	1.0
159.11708	0.7
161.09648	1.3
161.13347	0.5
163.03922	0.7
163.07524	2.4
163.11188	2.6
165.09135	1.5
165.12799	0.9
173.09633	2.1
175.07574	1.0
175.11176	1.2
176.08340	2.3
177.09120	7.1
177.10645	0.4
179.10590	0.5
187.11223	1.3
188.08490	0.4
189.09106	3.0
189.12735	0.9
190.09846	0.7
191.10677	43.0
192.11055	0.9
193.08643	0.4
201.05510	0.8
201.09091	0.6
203.10666	2.6
205.12250	8.8
205.14198	0.5
215.10603	1.3
217.12314	0.9
229.12225	0.9
231.13828	0.7
243.13795	0.5
257.15460	0.6
260.06366	0.9
271.16879	0.7
285.18515	3.1
289.18060	0.5
289.25226	0.8
303.19513	5.3
398.09625	0.5
409.31128	1.1
410.12534	0.5
427.26797	1.4
427.32132	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	427.1028
Annotation	Epiafzelechin 3-O-gallate
Peak:m/z	Relative Intensity
51.02375	0.5
53.03937	0.3
55.01866	0.3
55.05505	0.5
58.00887	0.2
65.89439	0.2
67.05504	1.1
69.03422	0.7
69.07061	0.8
69.15601	2.2
70.06591	1.0
78.84766	0.2
79.01855	4.9
79.05487	0.8
81.07064	1.8
83.04975	0.4
85.02908	0.3
85.06552	0.3
86.54212	0.2
91.05485	0.6
93.07046	0.9
95.04956	0.4
95.08632	1.3
97.02906	1.3
97.06561	0.3
105.07033	1.2
107.01335	1.4
107.04965	14.8
107.08595	0.8
109.06522	0.3
109.10151	1.2
111.04471	0.3
116.07115	0.6
119.08571	0.7
121.06520	0.7
121.10136	0.8
123.04449	0.3
123.08091	1.0
123.11702	0.5
125.02364	2.7
127.03903	2.0
129.06990	0.3
131.04840	0.3
131.08586	0.3
133.10138	0.6
135.08078	0.6
135.11687	0.3
137.06000	0.6
137.09679	0.4
139.03879	0.5
139.11104	0.3
140.30812	0.2
143.03407	5.9
143.08589	0.2
145.10139	0.6
147.04385	0.3
147.11726	0.6
149.06010	0.7
149.13271	0.3
151.03885	0.4
151.06429	0.5
151.07564	5.1
151.11140	0.3
152.07935	0.5
153.01843	100.0
153.02893	5.5
154.02196	1.0
159.08163	0.2
159.11775	0.2
160.12117	0.2
161.09654	0.4
163.03920	0.2
163.07530	0.3
165.09058	0.3
167.06999	0.3
169.04987	2.7
173.09578	0.4
175.11163	0.4
177.09157	1.0
181.05063	0.3
181.14380	0.2
189.09038	0.3
191.10686	1.5
203.10759	0.3
205.12276	0.8
213.03949	0.2
246.07701	0.3
257.08102	0.5
259.06018	0.3
260.06134	0.2
271.16693	0.2
275.09158	4.7
275.11984	0.4
301.07227	0.3
348.60269	0.3
427.10324	3.1
427.17230	0.3
427.22989	0.3
427.32513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82246	1.0
64.00264	0.9
64.85080	1.0
69.03423	2.8
70.06570	1.5
71.50909	1.5
72.08144	1.5
79.01849	3.5
81.03410	7.9
83.04954	1.3
85.02899	2.8
94.06549	1.1
97.02884	5.4
99.04366	1.1
107.01340	1.7
109.02874	5.4
111.04443	1.1
113.02370	22.4
123.04416	1.2
125.02377	3.1
127.03938	7.4
139.03877	3.6
143.03412	5.7
145.02843	4.0
150.07779	7.3
153.01843	100.0
153.02919	4.6
160.76511	1.0
163.03938	1.1
167.03346	1.0
171.02895	12.7
177.05498	6.9
188.98268	1.2
191.78365	1.0
231.99179	1.1
242.08121	1.7
272.55069	1.1
280.26001	1.1
295.11353	1.6
297.06027	7.4
315.07144	4.2
343.16513	1.4
420.13770	0.9
427.11694	2.2
427.20020	2.3
436.63696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.1
55.01876	0.7
55.14757	0.5
56.96558	1.1
58.05505	0.5
58.99856	1.8
65.03928	0.7
67.05505	1.5
68.99793	0.7
69.30286	5.3
70.06590	2.5
70.44176	0.6
72.08168	1.0
77.00883	0.5
79.01856	7.2
79.62343	0.6
79.93710	0.5
81.03425	2.2
82.99859	0.8
83.04971	2.0
84.08136	1.7
84.96027	0.6
85.02894	1.9
86.99355	0.7
91.05463	0.9
93.03384	1.0
95.04956	4.0
95.06042	0.8
97.02892	2.3
98.20696	1.2
98.97586	2.4
101.00877	8.7
103.00644	1.0
107.00705	0.5
107.01302	3.3
107.05007	0.6
109.02877	3.4
110.06061	0.8
110.07146	1.1
111.04403	0.7
113.00906	0.8
113.07128	1.4
115.02428	1.3
115.08705	0.8
116.98626	0.6
117.03372	1.3
119.01927	25.9
121.01627	1.0
121.02882	4.2
121.06520	12.9
122.06860	0.9
125.02342	5.1
127.02468	3.5
127.03912	3.8
129.03979	0.8
131.01892	1.8
133.03477	1.1
137.02959	5.0
137.05930	0.8
138.09126	2.0
139.02426	2.1
139.03925	2.7
143.01889	1.9
143.03401	7.7
143.05481	0.9
145.01648	1.3
145.03545	9.0
151.02455	0.9
153.01837	100.0
153.02917	7.4
154.02234	1.9
155.01904	2.1
157.01688	0.9
157.03477	6.2
161.01086	0.8
161.02983	2.7
163.02750	2.1
167.01952	1.5
169.03479	11.6
171.01443	1.2
171.02931	1.7
171.05055	3.6
173.02975	0.9
174.98898	2.0
175.04559	1.5
177.04128	1.0
177.05443	4.3
183.01413	2.1
183.05006	0.8
185.02968	14.7
185.06593	1.4
187.02872	1.2
187.04510	12.3
192.99799	6.5
193.03534	1.0
195.05042	3.0
197.02992	4.0
199.02742	0.7
201.02498	1.4
203.02150	1.0
203.04010	3.4
205.05603	1.2
207.04999	0.7
211.00893	52.7
211.04478	5.0
212.01003	1.2
213.02458	1.2
213.06102	2.1
215.00424	1.6
215.03978	3.2
221.02936	2.1
221.04880	0.7
227.03986	1.0
229.01965	14.1
229.05540	8.2
234.02518	0.7
235.00888	2.2
235.06705	0.7
237.02452	1.3
237.13461	0.6
239.04044	3.0
245.00676	0.6
247.02875	13.4
247.04897	1.9
247.06882	1.0
249.02376	0.8
251.04021	1.6
253.02007	4.9
255.14478	1.4
257.05093	8.4
261.02451	27.0
262.02603	1.0
263.01096	0.7
263.04050	3.9
265.05804	1.2
265.15265	0.8
267.03549	1.4
271.03046	3.5
275.06174	20.0
276.06625	1.1
277.02017	2.0
277.05753	1.9
279.03503	8.9
281.05164	2.0
281.12485	0.8
285.04584	2.1
287.00360	1.7
287.03656	1.2
289.01410	3.6
289.04556	1.4
290.10361	1.0
293.07269	1.5
295.03018	3.6
295.06598	2.0
297.04538	1.7
299.06174	1.3
299.13455	0.7
302.05179	0.7
303.03473	2.2
305.01450	3.3
305.05219	2.1
307.03027	3.4
311.06085	0.9
313.01477	0.8
313.04434	1.3
321.04492	4.8
323.02399	1.9
323.06146	3.6
325.04288	1.2
331.02945	2.5
339.05573	8.4
341.03510	1.5
341.07330	0.7
349.04050	4.3
357.06741	1.4
359.04562	2.3
367.05121	80.1
368.05255	2.4
381.06644	1.8
385.06195	19.0
408.07684	0.9
409.06329	1.5
412.47055	0.7
427.07214	42.1
427.22729	1.1
428.07306	1.4
445.08298	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	426.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
53.14489	0.5
55.05513	3.9
67.05494	2.2
69.03432	2.4
70.06573	1.1
71.19965	0.6
71.20306	1.1
79.05476	1.3
79.42389	0.5
81.03401	1.5
81.07059	4.2
82.06586	20.5
82.52187	0.5
85.02885	0.8
91.05486	0.7
93.07013	1.6
95.01311	1.7
95.04449	0.6
95.04973	5.8
96.08123	4.4
100.07606	1.2
105.07039	0.8
107.04986	0.7
109.02871	0.6
109.06535	4.4
113.07148	0.9
120.08119	1.0
121.06497	2.1
123.04442	1.0
124.07590	13.5
128.07086	86.3
129.07375	0.5
137.06000	4.6
139.03893	1.4
139.07571	1.4
142.08644	44.6
147.04411	1.0
150.07756	10.3
153.01840	1.5
165.05505	5.1
178.05008	1.2
188.09190	100.0
189.09531	1.8
203.10909	0.6
295.11566	2.1
332.07724	0.7
364.21332	1.6
366.20078	0.6
405.54904	0.6
408.14624	0.5
426.21405	25.3
427.12375	0.6
427.20389	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3783
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03936	7.7
55.05505	20.1
57.07074	16.5
59.05020	7.0
67.05505	39.3
69.07080	53.4
71.04984	6.1
79.05505	20.0
81.07062	100.0
83.08620	22.5
84.61747	5.4
91.05489	13.6
93.07057	50.4
95.08604	98.0
97.10184	17.5
98.21510	16.0
105.07043	37.3
107.08595	63.1
109.06528	5.9
109.10171	66.8
111.11719	8.7
119.08581	40.6
121.10144	59.7
123.07919	6.1
123.11729	42.5
131.08600	7.0
133.10168	35.2
135.11676	47.0
137.13264	23.1
145.10143	24.5
147.11697	23.4
149.13280	33.8
153.12729	7.4
159.11723	20.6
161.13277	36.8
163.14835	16.6
167.55530	5.8
168.83830	6.6
171.11658	10.6
173.13271	22.9
175.14839	24.2
177.16377	16.6
187.14850	14.9
189.16429	16.1
191.18025	9.9
201.16356	8.2
203.17978	18.2
208.89319	6.3
215.17990	13.6
217.19621	13.5
228.05098	7.4
229.19566	12.3
231.21101	14.1
257.22427	5.7
271.24203	5.7
293.07452	6.8
343.30093	6.0
407.36911	14.5
425.22006	6.0
425.32312	9.0
425.37827	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.01058	1.6
53.03946	2.3
55.05505	6.7
57.07077	3.8
59.20697	1.4
66.13847	1.6
67.05504	14.2
69.07078	18.3
70.10361	6.0
79.05517	8.9
81.07061	37.5
83.08612	6.5
91.05481	6.0
93.07044	18.1
95.08615	65.5
97.10176	3.3
105.07054	12.6
107.08605	36.1
109.10164	48.8
111.08043	2.2
111.11726	5.8
119.08583	23.8
121.10155	30.3
121.10944	2.9
123.11714	20.5
131.08577	3.8
133.10152	16.4
135.11697	24.6
137.09499	1.9
137.13255	17.6
145.10150	5.7
147.11705	12.5
149.13243	12.3
151.14821	1.8
157.10156	2.0
159.11742	7.2
161.13298	16.1
163.14841	11.5
171.11758	2.3
173.13272	7.3
175.14815	9.7
177.16391	7.1
179.14407	3.1
182.35243	1.5
187.14824	4.4
189.16383	10.5
191.17979	17.4
195.71478	1.8
199.14719	2.0
201.16371	6.0
203.17908	9.5
205.19592	9.5
207.17461	3.3
215.17982	8.8
217.19591	8.4
219.17502	2.0
227.17946	2.1
229.19540	4.4
231.21085	5.1
233.19142	3.2
236.98349	1.5
243.21068	4.9
245.22643	7.9
247.20627	14.0
257.22672	3.1
259.24216	3.9
261.22253	2.1
269.22580	3.0
271.24219	5.6
285.25790	2.1
289.25101	2.2
315.26749	2.1
407.36743	16.3
407.41724	2.5
422.20023	1.9
425.37796	100.0
426.37973	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.88313	3.0
55.05507	18.0
57.07077	10.4
67.05512	32.2
67.89939	2.9
68.56060	3.0
69.07072	36.0
70.08661	13.0
70.69965	2.5
71.08597	2.9
79.05502	15.0
81.07062	68.0
83.08630	12.3
84.34796	2.8
86.09711	20.4
88.58709	2.6
89.06049	4.2
91.05490	16.6
93.07049	40.3
95.08616	100.0
97.10179	6.8
105.07028	24.6
107.08598	66.0
109.10162	65.6
111.08118	4.9
111.11741	8.0
117.07040	3.4
117.75941	2.9
119.08586	36.6
121.10152	50.7
123.11727	41.9
131.08604	9.4
133.10150	34.5
135.11694	33.1
137.13277	22.9
145.10120	17.0
147.11682	32.0
149.13264	23.6
151.14838	5.9
156.09575	3.0
159.11671	15.4
161.13255	20.8
163.14830	25.2
171.11678	4.3
173.13313	15.1
175.14778	18.0
177.16370	17.9
185.13383	3.2
187.14899	10.7
189.16447	15.5
191.18018	15.1
199.14842	3.7
201.16492	10.9
203.18008	11.0
205.19630	9.2
207.17473	5.5
213.16479	6.8
215.18016	8.2
217.19574	9.9
219.17555	3.2
219.21371	3.2
220.11053	3.2
227.17860	3.1
229.19577	12.1
231.21179	8.4
243.21161	12.8
245.22714	11.2
247.20662	4.0
255.21251	4.4
257.22720	10.0
259.24323	8.4
261.22198	3.4
269.22684	9.7
271.24222	14.1
273.25818	6.6
278.55521	3.3
283.24173	4.1
285.25885	9.2
287.23581	4.6
311.27478	8.5
329.28494	6.4
341.28677	6.2
407.36685	28.0
425.21262	4.7
425.37900	97.2
425.43570	5.6
425.78641	2.8
426.38019	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	425.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.6
57.07079	100.0
57.87620	1.7
59.04747	1.9
59.05003	21.5
66.83558	1.5
67.05489	3.8
69.07058	3.6
69.24166	8.9
69.24590	6.7
71.08634	92.0
73.02903	1.7
79.13932	1.6
81.07048	4.6
83.08639	3.1
85.10189	72.6
87.04455	4.9
89.06017	6.8
90.01934	12.1
91.05473	1.9
95.08597	5.6
97.10129	2.2
99.11746	10.2
103.07529	1.9
105.07040	1.9
107.08598	1.9
109.10144	5.0
113.13323	2.4
117.09142	3.4
121.10144	2.9
135.11682	2.1
155.17917	3.8
196.08241	2.3
199.20705	1.7
213.22159	4.3
256.27335	1.7
425.21539	1.8
433.38058	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03931	2.2
54.14028	1.1
55.05503	8.0
56.06963	1.2
57.07074	9.7
58.39880	1.1
61.82986	1.4
63.52076	1.1
64.06679	1.1
64.38107	1.2
67.05508	20.2
69.07066	15.9
79.05494	10.2
80.46558	1.2
81.07059	65.2
83.08632	6.1
85.10150	1.2
89.06018	3.4
91.05479	7.2
93.07043	20.5
95.08611	100.0
97.10163	3.9
98.20815	4.0
105.07035	15.9
107.08594	19.3
109.06506	3.2
109.09480	2.0
109.10165	26.6
111.08063	3.2
111.11739	2.1
117.07034	1.9
119.08577	12.5
121.10140	17.1
123.11716	18.1
131.08568	7.1
133.10123	9.6
135.11710	14.3
137.13260	56.7
143.08572	2.1
144.08052	2.0
145.10092	9.6
147.11688	11.8
149.13254	12.2
151.14833	3.8
157.10152	4.4
159.11673	7.4
161.13246	7.0
163.14828	4.5
171.11699	3.2
173.13281	4.8
175.14830	3.6
177.16376	5.8
179.17963	2.3
185.13297	4.5
187.14911	7.0
189.16411	3.8
191.17970	3.4
193.19572	2.6
199.14828	5.1
201.16383	5.4
203.17918	5.1
213.16362	4.3
215.17921	4.9
217.19508	4.4
219.17467	1.8
227.17902	3.9
229.19556	3.3
231.17458	3.1
245.19028	2.8
255.21161	3.1
257.22723	5.9
269.22653	5.5
271.24536	1.6
273.22250	2.3
283.24057	2.8
287.23663	1.5
349.33331	1.3
407.36902	8.4
425.32358	7.3
425.37738	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	425.1785
Annotation	Tyr Trp Gly
Peak:m/z	Relative Intensity
52.58101	0.3
54.95907	0.3
65.46190	0.3
67.05502	0.4
68.99829	0.4
69.03413	0.6
70.06586	1.2
71.50591	0.5
72.08099	0.3
81.07094	0.5
91.05486	0.5
95.08603	0.5
97.02896	0.4
106.39485	0.4
120.04443	0.4
121.06466	0.7
123.04386	0.4
123.07914	0.4
124.03980	0.4
124.07587	0.6
139.03911	1.5
148.06248	0.4
149.09514	0.4
151.03860	0.6
153.01805	2.9
203.06749	0.8
245.04572	0.4
246.07646	0.9
257.04547	1.2
263.12491	3.7
287.05521	0.4
311.92905	0.4
425.17831	100.0
426.18063	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	425.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73373	1.8
55.05516	13.4
56.26092	1.9
57.07055	6.6
58.40722	2.2
65.02908	2.0
65.03918	2.8
67.05501	26.4
69.07069	24.7
71.35973	3.9
78.95653	2.2
79.05499	12.9
81.07060	73.7
83.08610	8.5
89.06039	2.1
91.05482	9.4
93.07047	35.1
95.04955	2.5
95.08612	60.4
97.10173	5.2
105.07037	16.7
107.08604	25.9
108.17056	2.0
109.09470	3.7
109.10162	42.1
111.11692	3.1
112.37769	2.1
117.07006	3.3
119.08569	15.5
121.06479	4.7
121.10139	25.9
123.11720	19.2
131.08565	4.1
133.10124	10.7
135.08070	2.4
135.11708	21.7
137.05956	4.1
137.13268	10.5
139.07523	5.6
141.05490	4.0
145.10162	6.4
147.11697	10.2
149.05975	4.7
149.13278	20.5
151.07536	6.9
159.11642	5.7
161.13239	5.5
163.14799	7.7
165.09134	3.2
167.07047	100.0
173.13232	2.6
175.14833	6.3
177.16365	7.3
179.10655	2.6
181.08604	6.7
189.09013	3.5
189.16393	5.1
191.06958	2.8
191.17955	4.3
192.07881	2.7
193.08652	4.2
201.16403	3.8
203.10730	2.9
203.17905	5.8
205.08565	4.1
207.10162	9.3
215.10696	2.1
217.19518	5.9
229.19449	3.7
233.11662	2.6
245.11830	2.5
245.22615	3.1
247.13263	2.8
257.22610	2.8
259.24243	6.2
265.39514	2.4
271.24142	2.8
275.16327	3.6
331.30698	2.1
407.36459	3.6
425.30386	14.3
425.37653	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	425.1574
Annotation	7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
53.34085	2.7
55.05516	6.8
57.03437	3.3
65.73031	3.1
67.05506	7.6
69.03426	6.4
69.07061	6.1
69.35903	12.3
69.36329	15.1
70.06593	5.2
71.04962	3.7
72.08146	4.2
79.05484	8.5
80.05856	2.8
81.03400	3.6
81.07043	6.0
83.04990	3.8
84.08121	3.3
85.02908	7.7
86.09720	4.3
89.60966	2.9
91.05484	8.5
93.07028	6.7
95.08615	5.6
96.95768	3.3
97.02895	5.0
100.11249	3.2
105.07039	4.5
107.08585	5.7
109.02837	3.3
112.03954	16.4
119.08581	4.8
120.08070	3.7
121.06484	8.2
121.10139	6.9
123.04427	8.7
127.03943	5.0
128.10703	5.9
131.08521	3.5
131.63861	3.2
133.10173	5.9
135.04352	4.0
135.08090	5.0
137.06044	3.4
139.03938	9.4
140.03427	28.4
142.08675	4.7
143.03419	6.0
145.10110	4.6
147.04381	4.6
151.07486	3.0
153.01834	58.0
153.03006	6.3
156.10240	3.9
175.38330	3.1
179.03407	3.8
182.15393	4.5
185.99103	3.2
191.06897	3.5
205.04865	3.7
210.14870	4.2
233.11948	3.1
246.07671	11.2
257.04556	3.3
259.06137	3.6
263.09198	4.8
273.07562	5.8
337.17090	3.3
374.96170	3.5
382.26981	9.1
425.09457	5.0
425.15692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96478	2.6
78.63348	0.8
82.99879	2.7
84.08133	1.2
94.99303	0.8
94.99868	1.6
97.02871	1.0
98.97559	1.6
101.00890	21.8
109.02872	1.0
113.00875	4.3
119.01154	1.4
119.01929	16.5
127.02397	3.8
129.00392	1.1
131.01903	9.4
139.02414	2.5
139.03944	1.6
143.01907	43.1
144.02066	0.9
145.03497	7.7
153.01848	2.1
155.01888	17.3
157.03477	7.2
159.03241	1.1
161.02971	40.5
162.03169	0.9
167.01909	12.0
169.03473	4.6
171.05087	2.0
173.02972	17.9
175.04556	1.5
179.01923	7.1
179.33620	0.8
185.02968	34.8
187.04541	2.3
191.04085	3.7
197.02959	13.1
203.04030	14.8
208.04588	0.8
209.03046	1.8
215.04012	5.9
221.05164	1.4
227.03976	7.0
245.05090	100.0
246.05411	4.1
246.07523	1.0
257.05042	6.5
263.06171	22.8
275.06125	12.2
287.05582	1.6
293.07205	2.7
299.05481	1.1
305.07208	8.5
335.08243	1.7
365.09235	4.6
393.07477	0.9
425.11209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.285
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
54.21247	1.9
55.05507	5.1
57.03434	1.8
57.07066	5.2
67.05506	13.4
68.05027	11.1
68.41316	1.7
69.07052	6.2
69.38346	2.9
69.38757	13.7
70.06596	24.7
79.05499	15.3
80.05013	5.0
81.07079	16.7
82.06595	4.9
82.07379	1.9
83.08587	3.3
84.08141	3.0
85.06552	2.2
91.05479	22.9
93.07052	18.2
94.06555	2.6
95.04964	6.4
95.08612	8.7
95.89279	1.6
96.08125	5.1
100.07621	17.1
105.07032	37.8
105.07697	3.1
107.08614	15.1
108.08114	7.1
109.10160	9.1
114.05531	8.6
115.05512	2.0
116.07097	2.8
117.07029	6.7
119.08584	25.0
120.08051	3.2
121.10152	7.3
122.09701	2.9
128.06216	3.2
128.07076	20.0
129.07013	6.1
130.07814	2.6
131.08559	17.8
132.08073	2.1
133.10133	16.8
134.09647	2.2
135.08073	5.1
135.11665	3.6
141.07027	2.0
142.07709	3.2
142.08672	6.8
143.08586	14.1
144.09297	2.1
145.10167	21.5
147.11697	5.4
148.11235	7.1
149.09592	2.0
153.01871	4.3
154.07530	3.2
154.08659	34.4
155.08611	3.1
156.09364	2.7
157.10124	13.5
158.10915	2.9
159.11696	7.5
160.11275	2.2
162.12766	3.0
164.07135	3.3
168.10226	6.5
169.10132	8.0
170.10880	2.1
171.11690	9.8
172.11322	3.4
173.11914	2.6
173.13274	13.2
174.12833	2.5
178.08650	5.0
181.10158	3.2
183.11722	5.7
185.13321	2.2
186.12996	1.9
186.17641	1.8
187.14938	3.3
192.10318	4.2
194.11841	18.3
195.11726	3.7
199.14893	5.8
209.13310	4.4
212.14374	2.0
217.15970	2.0
218.11821	6.1
219.12459	2.8
220.13307	5.2
221.50780	1.9
223.14864	2.6
235.14830	2.8
265.19644	2.2
286.17996	3.8
302.17740	3.1
314.21191	14.3
332.22189	100.0
333.22662	2.3
353.24017	2.0
406.27551	16.9
424.28488	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.2
55.05515	6.9
57.03435	3.4
57.07085	3.7
67.05185	1.0
67.05513	12.7
69.03436	1.0
69.07071	12.8
71.04978	0.9
71.08627	3.2
72.08155	0.9
73.06567	0.8
76.06387	0.8
79.05496	7.3
81.07061	18.9
83.04980	1.7
83.08615	5.7
85.06529	2.1
90.43089	0.7
91.05486	6.0
93.07041	9.8
95.04967	1.1
95.08060	1.6
95.08614	15.2
97.06532	3.4
97.10162	2.7
98.20753	2.5
99.08131	1.3
104.19287	0.9
105.07044	8.0
107.08608	9.5
109.06525	12.2
109.10156	9.3
110.59663	0.6
111.08092	2.4
117.06985	1.7
117.97294	0.7
119.08600	7.3
121.06535	0.7
121.10151	6.7
122.07281	0.8
123.08076	52.4
123.11710	3.2
131.08565	3.3
133.10130	5.7
135.08075	8.7
135.11664	3.2
137.09636	3.9
137.13203	0.9
139.87692	1.0
143.08572	1.5
145.10164	3.6
147.11705	3.2
149.09622	2.8
149.13242	2.4
157.10132	0.9
159.11731	3.8
161.13281	2.2
163.11151	0.9
163.14874	1.0
163.57573	0.8
165.12767	2.1
167.14287	1.3
173.13268	1.8
175.14896	1.4
176.29173	0.8
177.12790	3.4
179.12749	1.8
179.14326	37.1
193.15947	1.6
205.15956	1.6
233.19093	1.7
261.22058	1.1
263.20145	2.5
275.20135	5.6
289.25305	1.1
293.21118	3.4
303.26697	4.4
304.64844	0.9
322.03186	0.8
331.22394	1.8
331.26343	32.8
332.26633	1.2
349.27353	10.0
367.24976	1.8
405.30331	1.6
423.31094	100.0
424.31390	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	424.2848
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
53.03942	3.0
55.05497	4.4
57.07066	3.3
61.49873	1.5
67.05505	9.8
68.05032	8.9
69.07050	5.1
70.06597	22.9
71.04993	3.5
72.08139	2.0
74.42601	1.3
79.05494	9.8
80.05019	7.4
81.07064	16.3
81.86133	1.3
82.06577	3.4
83.08579	1.3
85.06531	1.8
91.05474	16.5
93.07047	13.3
95.04976	6.5
95.08614	9.7
96.08115	4.6
98.06075	3.1
100.07619	16.1
105.06308	2.2
105.07027	38.9
107.08613	14.2
108.08130	7.7
109.06535	2.1
109.10150	7.1
114.05507	7.9
115.05454	2.8
116.07085	1.8
117.07016	9.7
119.08587	24.0
120.08099	4.9
121.06496	4.3
121.10154	9.3
122.09649	2.1
126.09167	2.1
128.06235	3.2
128.07092	18.9
129.07018	4.2
130.07797	2.4
131.08560	17.0
133.10135	13.8
134.09650	3.9
135.08063	2.1
135.11708	2.8
141.06979	2.3
142.07721	3.2
142.08653	10.1
143.08548	11.8
144.09355	2.2
145.10126	18.4
146.09636	2.7
147.11661	4.8
148.11188	7.1
149.09642	1.7
149.13240	1.7
151.07578	1.7
153.01828	1.5
154.08649	29.2
155.08606	2.5
156.09299	3.7
157.10091	11.7
158.10873	1.7
159.11717	4.5
160.11150	1.8
161.09621	1.8
161.13298	1.6
164.07124	2.9
165.06973	1.6
165.09096	3.1
167.08521	2.4
168.10269	7.8
169.10144	5.3
171.11667	8.0
172.11261	1.6
173.13216	11.4
174.12752	3.1
175.14862	4.1
178.08650	4.6
181.10098	2.0
183.10245	1.9
183.11629	7.0
185.13322	3.1
186.12675	2.6
187.14807	2.9
192.10281	2.9
194.11813	16.1
195.11842	2.5
196.12169	1.7
199.14856	6.1
201.16440	1.9
209.13248	5.4
217.16017	2.3
218.11794	3.9
220.13309	6.2
225.16504	1.9
230.11934	1.7
232.13324	2.0
235.14781	2.2
253.15935	2.0
258.14612	1.6
265.19443	1.9
286.17975	3.6
302.17465	3.4
314.21024	8.2
317.19827	2.4
332.22223	100.0
333.22592	3.9
406.27466	8.8
423.75424	1.6
424.28458	78.0
425.28625	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	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13391	1.1
55.01871	2.7
55.05512	11.1
57.03439	3.8
57.07077	3.3
58.12081	1.5
63.21577	1.2
63.50483	1.0
65.03954	1.6
67.05511	32.9
68.13396	1.0
69.03436	2.5
69.07072	10.5
71.04983	3.5
71.08638	2.5
79.05494	14.7
81.03426	2.8
81.07067	28.4
83.04975	2.4
83.08634	6.6
85.02918	1.1
85.06548	3.1
91.05477	11.1
93.07053	19.7
95.04983	1.6
95.08612	20.2
97.02895	4.2
97.06536	3.2
97.10183	1.4
99.04456	3.9
99.08078	2.4
105.07037	10.0
107.08602	14.3
109.02892	1.8
109.06516	13.3
109.10168	19.7
111.08075	2.8
117.07043	2.8
119.08589	9.1
121.06551	1.4
121.10159	9.9
123.08077	49.8
123.08970	2.5
123.11726	3.5
127.03928	3.4
129.35944	1.0
131.08589	5.0
133.10141	7.3
135.08044	9.0
135.11739	4.4
137.09628	3.9
137.13280	1.7
145.10155	4.9
147.11707	3.8
149.09634	2.5
149.13304	4.9
155.10611	1.9
159.11681	6.0
161.13229	2.2
165.12825	1.4
167.14290	1.4
173.11739	3.3
173.13141	1.6
175.14943	1.8
177.12796	4.6
177.16345	1.2
179.14333	36.6
180.14557	1.0
186.87221	1.1
191.14345	1.3
193.15929	1.2
195.13802	1.5
203.18434	1.2
205.16069	1.3
247.20627	1.2
261.22287	2.4
263.20212	1.4
275.20245	3.3
289.25247	1.2
293.21225	4.0
303.26959	4.9
331.26346	41.1
332.26816	1.9
349.27493	9.9
367.24942	2.8
405.30557	2.1
423.31253	100.0
424.31564	2.7
428.57391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01865	2.6
55.05514	15.2
57.03442	2.9
59.05000	2.9
65.03931	3.2
67.05509	100.0
68.05859	1.2
69.03417	4.2
69.07072	12.9
70.06584	1.2
70.68638	2.0
70.68999	2.4
71.04994	5.0
79.05070	1.9
79.05499	26.8
81.03419	6.5
81.07059	49.4
83.04967	3.4
83.08633	7.7
85.02903	1.5
85.06535	3.7
91.05488	18.9
93.07052	31.6
95.04955	3.7
95.08614	18.2
97.02888	1.3
97.06536	6.3
99.04448	2.0
99.08098	1.4
105.07036	9.8
107.08597	14.8
109.06506	2.0
109.10164	54.9
111.08083	4.8
117.07029	3.8
119.08609	7.9
121.06508	1.6
121.10143	8.9
123.11716	3.0
129.07043	1.7
131.08554	8.5
133.10136	8.7
135.08020	1.5
135.11720	6.9
137.09584	2.1
141.56154	1.0
143.08591	2.5
145.10159	4.5
147.11716	2.9
149.13264	14.1
155.10651	4.4
157.10120	1.8
159.11676	6.0
161.13170	1.0
169.10188	1.2
171.11662	1.7
173.11777	16.5
173.13184	1.8
177.12790	2.5
187.14874	1.2
195.13850	7.5
195.15419	1.4
197.13248	1.0
251.41362	1.0
259.20728	1.6
261.22079	2.1
265.41473	1.1
273.22040	1.5
277.21793	1.1
303.23184	1.6
369.24161	1.6
387.25497	1.5
405.26627	2.7
405.77908	1.2
423.27411	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01868	3.2
55.05516	15.7
57.03431	4.4
57.07070	2.7
59.04999	3.5
65.03960	2.1
67.05508	100.0
69.03417	7.3
69.07071	14.8
70.92786	1.5
70.95697	2.6
70.96019	1.9
71.04996	5.0
72.08138	2.2
79.05068	2.4
79.05498	29.6
81.03425	8.0
81.07063	54.8
83.04987	4.3
83.08620	12.1
85.02896	4.8
85.06557	4.1
91.05495	18.0
93.07045	35.3
95.04956	5.9
95.08609	23.9
97.02873	2.4
97.06526	4.7
97.10191	2.1
99.08096	3.2
105.07043	13.3
107.08598	20.8
109.06535	1.5
109.10160	58.1
111.08087	5.7
117.07029	6.6
119.08585	12.6
121.10153	14.5
123.08053	2.5
123.11711	3.9
129.07027	1.9
131.08624	7.8
133.10139	10.9
135.11703	10.2
137.09637	4.8
145.10120	4.7
147.11671	3.9
149.13261	17.0
155.08562	2.0
155.10654	6.1
157.10097	2.8
159.11684	8.2
169.10092	2.2
171.11676	2.4
173.11760	13.2
173.13216	3.9
177.12654	2.4
185.13289	1.8
195.13840	6.5
212.89218	1.6
259.20609	2.5
261.22290	4.8
289.21588	1.7
303.23132	2.1
327.23212	2.1
330.83026	2.1
369.24222	4.4
387.25037	3.4
405.26300	5.0
423.27393	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
53.38407	1.5
53.48984	1.9
55.01859	6.3
55.05512	22.7
57.03450	9.2
57.07065	4.0
59.04996	2.0
65.03929	4.5
67.05508	100.0
67.66749	1.7
69.03432	23.8
69.07075	21.4
70.13092	7.9
71.01340	2.6
71.04977	5.5
73.02902	3.5
74.91798	1.6
79.05495	49.1
81.03426	25.6
81.07061	80.9
83.05005	9.0
83.08621	9.0
85.02912	10.1
85.06532	4.0
91.05484	47.7
93.07050	64.4
94.30538	1.5
95.04974	12.4
95.08617	48.5
97.02904	8.3
97.06519	7.1
97.10156	5.4
97.45548	1.6
99.04437	7.8
99.08072	2.9
103.03945	3.8
105.04535	1.7
105.07034	40.2
107.04950	4.6
107.08602	38.1
109.02863	4.2
109.06516	6.3
109.09476	2.7
109.10166	41.9
111.04442	7.4
111.08096	6.6
115.05418	3.3
117.07020	20.0
119.08593	36.3
121.06500	6.1
121.10154	29.4
123.08067	6.6
123.11700	7.5
125.09665	3.1
127.03916	4.2
128.06194	2.9
129.05467	5.6
129.07033	10.7
131.08578	25.6
133.06479	4.1
133.10136	24.3
135.08066	4.9
135.11670	22.5
137.09589	5.5
139.07394	2.0
139.11172	4.2
141.07022	4.1
142.07829	2.0
143.08578	10.4
145.06511	3.9
145.10115	16.9
147.08037	2.4
147.11708	20.2
149.09628	4.2
149.13266	18.4
151.11159	2.4
155.08546	5.8
155.10635	1.8
157.10120	6.6
159.11699	16.6
161.09583	3.0
161.13306	9.9
163.11140	2.6
163.14828	4.7
167.08572	3.1
169.10132	4.8
171.08051	2.0
171.11681	7.8
173.11716	6.6
173.13248	13.1
173.56160	2.0
175.14864	4.2
179.14235	4.0
183.11667	5.0
185.09633	2.1
185.13188	5.3
187.11174	2.3
187.14792	6.5
189.12747	2.2
195.11716	1.9
195.13818	4.8
197.13164	2.4
199.14864	4.1
213.12738	2.0
226.55682	1.8
233.15443	2.0
241.19583	4.3
243.21143	3.1
249.14989	3.0
259.20593	15.0
261.19595	2.6
261.22067	15.7
273.22064	5.5
275.23590	2.9
277.14288	2.6
277.21640	4.8
285.22055	2.1
289.21811	3.6
291.23196	3.6
295.83679	1.6
297.22226	2.7
301.21539	3.4
303.23120	11.1
313.21628	3.7
315.23154	3.4
331.22867	2.2
331.26453	3.1
341.24942	3.0
345.24344	2.7
351.22925	4.0
369.24240	14.1
387.25406	11.1
405.26184	16.5
405.30072	1.7
423.27191	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33207	0.4
50.82468	0.4
56.96566	0.4
57.29633	0.4
65.70660	0.3
66.46215	0.4
67.05502	0.7
68.61375	0.4
69.03417	0.7
71.50294	0.4
71.50705	0.5
72.78117	0.4
79.05498	0.7
80.05022	1.9
81.03423	0.5
81.07052	1.2
82.06574	3.1
84.04514	0.6
84.08134	0.5
85.02885	0.4
91.05498	0.6
93.07021	0.5
95.04955	1.4
96.04510	1.0
102.18223	0.4
107.74126	0.4
108.04485	6.2
109.06491	1.1
111.61405	0.4
115.14131	0.4
117.94859	0.4
121.06503	0.6
122.06039	3.1
123.04454	0.6
125.07119	24.8
126.05523	1.1
132.47006	0.4
137.05962	1.5
139.07552	0.6
140.07019	2.2
145.03456	0.4
153.01826	1.6
159.14610	0.4
165.05458	1.9
168.06577	1.3
170.74823	0.5
175.11136	0.4
185.09219	10.7
186.07596	2.6
221.11737	0.6
229.04774	0.4
245.04488	1.5
257.04614	0.6
261.13110	13.2
261.17841	0.5
405.05917	0.5
423.18378	100.0
424.18677	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.6
57.07077	100.0
59.04716	1.7
59.05003	28.1
69.07056	4.4
69.28984	3.3
69.29380	11.9
71.08633	72.5
73.02921	27.0
83.08628	3.3
85.10184	68.9
87.04486	2.3
89.06013	2.9
93.07049	4.5
95.08616	4.3
97.10177	2.7
98.20721	2.8
99.11743	12.8
105.07015	1.7
107.08584	1.6
111.08089	2.1
112.08409	1.6
113.13278	2.9
117.09119	7.6
139.07526	2.3
155.17961	7.4
213.22179	8.1
266.53290	1.5
266.66672	1.3
271.26407	3.5
284.53217	1.7
310.99524	1.3
404.35925	4.3
422.37195	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	423.1435
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
53.03964	1.1
56.96547	2.0
57.03448	0.9
58.99592	6.0
61.02924	1.6
67.05512	8.3
69.03436	6.2
69.07072	17.7
69.49994	1.0
69.83842	2.8
70.06599	5.0
72.08139	0.9
76.02222	3.1
81.03418	2.7
84.08131	1.4
85.02916	10.1
91.05487	0.7
93.07021	1.6
95.04961	2.6
97.02897	4.5
98.97605	4.2
99.02717	1.5
99.04473	0.7
101.04252	44.0
109.02885	2.3
110.06050	1.5
110.97601	1.0
112.07616	5.5
116.98666	0.9
120.08057	0.8
121.06493	3.2
122.02750	1.1
125.07158	1.5
126.05507	1.1
127.02152	5.6
127.03915	2.3
127.05779	2.4
128.98596	0.7
129.03738	2.1
130.08655	1.1
132.95876	0.8
138.05490	1.3
138.09163	0.8
139.03886	2.0
140.04233	0.7
140.07086	11.4
143.01799	0.7
145.05006	0.9
153.01849	6.2
154.97862	0.7
155.01631	1.9
157.03534	1.0
158.99651	1.2
163.03871	0.8
168.04878	1.0
170.06360	2.7
172.04288	100.0
173.04678	1.4
175.04492	1.0
176.41878	0.7
180.04797	2.1
182.08138	3.6
185.01294	0.8
197.07513	2.2
198.05861	5.2
201.00728	1.0
206.08138	1.4
214.05350	11.2
215.08522	6.6
219.01837	1.6
226.98685	1.2
237.02837	1.3
244.06416	11.4
245.04443	2.7
248.09148	0.9
257.09518	1.0
261.09055	16.5
261.18066	0.9
286.07440	3.2
302.12286	1.9
303.10172	2.2
334.09573	5.0
359.12766	1.1
369.11304	0.8
377.13834	9.6
419.04755	1.5
423.07410	2.5
423.14340	46.4
424.14963	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.2
54.62640	3.0
55.01850	3.6
55.05510	4.1
56.05021	3.3
57.03419	4.5
57.57248	2.7
61.65473	2.7
65.03930	3.7
67.05513	8.6
69.03423	11.0
69.07059	3.9
70.06593	9.0
71.04982	10.7
71.14553	2.6
71.51028	3.1
73.02898	3.0
79.05489	9.0
81.03391	4.7
81.07066	18.5
83.04949	7.0
85.02905	17.4
86.09700	7.2
91.05490	5.4
93.07040	12.3
95.04953	6.1
95.08603	17.5
97.02892	6.0
97.06509	8.3
99.04475	19.8
105.07022	16.7
107.04929	2.7
107.08587	23.3
109.06522	6.9
109.10154	22.3
110.06030	3.0
119.08588	22.4
121.06502	8.9
121.10145	66.0
123.08073	63.6
123.11716	5.2
125.05985	3.8
126.06139	2.8
127.03918	6.4
130.06529	4.5
131.08588	3.9
133.10133	11.8
135.11694	8.1
137.05962	8.7
137.09627	31.4
137.13187	3.1
138.05521	9.6
141.94717	2.8
143.08479	2.7
145.04950	5.6
145.10109	6.6
147.08093	4.9
147.11684	24.1
149.09607	18.6
153.01799	7.9
161.09628	12.5
161.13255	47.1
163.11183	46.0
165.09111	5.9
165.12737	10.9
171.11707	4.7
179.10728	2.9
179.14336	10.6
181.12271	20.3
189.12735	15.6
207.10175	10.3
207.13824	23.8
225.11481	16.2
225.14856	100.0
226.15106	3.1
243.15945	39.8
254.04770	4.4
261.07385	3.2
301.35748	3.5
378.24142	3.7
397.97742	3.2
422.23886	9.6
441.01263	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	422.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50692	2.8
54.12662	3.0
54.67733	2.4
55.01854	3.5
55.05504	2.8
57.03418	2.8
67.05502	5.0
69.03430	9.6
69.07066	8.6
70.06585	6.5
71.04997	3.4
71.50703	3.7
79.05511	9.0
81.03434	3.9
81.07059	8.9
83.05013	5.0
84.08125	2.6
85.02926	16.4
86.09718	5.4
91.05494	10.3
93.07051	20.8
95.04967	8.5
95.08607	14.6
97.02895	3.9
97.06510	4.8
99.04446	5.8
105.07037	26.8
107.04960	51.5
107.08614	29.4
109.06529	5.9
109.10159	5.5
113.05995	3.7
117.07075	2.7
118.38101	2.6
119.08593	43.6
121.02901	3.0
121.06525	16.8
121.10174	24.2
123.08083	10.0
124.03948	4.0
125.05954	2.6
131.08592	12.9
133.06526	3.7
133.10130	28.6
135.08018	3.3
135.11708	9.0
137.09616	8.9
145.10136	17.0
147.08054	4.6
147.11673	11.0
149.09595	14.3
149.13277	6.5
151.07565	7.3
153.01840	7.0
156.09315	6.9
159.11726	16.1
161.13251	22.0
163.11195	100.0
169.08578	3.8
171.11684	10.9
177.12766	58.2
181.12265	30.7
189.12776	35.2
195.13828	18.2
207.13824	80.7
213.14833	3.5
225.14876	91.8
243.15936	38.6
247.22578	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	422.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.4
53.03932	3.8
55.05506	4.6
57.52713	2.4
67.05492	7.7
69.03447	5.8
69.07054	10.7
70.06586	9.0
71.04980	5.4
71.50538	3.7
79.05489	5.0
80.05043	2.6
81.03413	7.5
81.07069	21.3
82.06564	8.8
83.04980	4.5
85.02900	17.7
86.09711	4.7
91.05481	10.5
93.07053	19.1
95.04963	9.2
95.08603	16.9
97.02892	9.5
97.06521	4.9
99.04451	12.3
99.08114	4.5
103.05420	3.0
105.07038	14.0
106.02908	6.2
107.04891	2.8
107.08611	13.1
109.02874	3.7
109.06493	5.6
109.10165	13.7
119.08577	10.1
121.06538	4.3
121.10159	20.6
122.03648	6.3
123.08092	12.9
123.11705	6.3
124.03968	51.0
127.03909	5.8
131.08588	2.8
133.10138	5.2
135.11691	3.2
137.05995	100.0
137.09573	6.8
137.13345	3.3
138.05481	3.0
139.91020	2.5
141.09111	2.6
145.10130	3.3
147.11671	4.8
149.09589	5.6
149.13237	4.3
151.11165	6.0
153.01860	9.9
159.11697	2.9
161.09479	3.0
161.13306	13.4
163.11195	7.9
165.12759	5.6
167.10744	4.7
177.12772	26.5
179.14348	4.1
181.12210	10.6
188.03773	21.4
189.12755	10.0
195.13783	3.7
201.12457	4.3
202.12624	4.4
207.13815	21.3
213.16098	2.4
215.44577	3.0
225.11319	3.2
225.14870	32.0
243.15965	13.9
253.86186	2.6
268.08194	46.7
314.07080	3.9
353.30573	2.6
360.14294	3.9
422.24097	3.2
423.20096	5.4
434.64413	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	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65303	1.7
51.07095	1.9
51.87986	1.9
55.05504	3.1
56.96561	6.4
57.03431	7.9
66.25288	2.0
68.99809	2.0
69.03428	11.2
69.07071	3.9
70.06590	3.3
70.52992	3.4
71.04995	2.7
79.05508	2.9
81.03426	2.3
81.07063	6.0
83.04973	8.8
83.08655	2.3
84.08169	2.8
85.02900	14.0
85.06524	2.9
91.05493	3.4
93.07042	4.0
95.04986	4.2
95.08600	6.1
97.02908	3.6
97.06537	7.8
99.04467	3.1
105.07032	6.0
107.08614	17.3
109.02881	2.9
109.06539	23.9
109.10136	6.1
113.06010	3.5
115.07645	2.9
119.04990	2.1
119.08588	6.2
119.19271	1.9
121.06512	7.6
121.10152	15.4
123.08062	15.4
123.11694	4.4
125.09640	3.6
127.03947	3.6
133.10191	2.4
135.08015	6.1
137.09599	15.2
139.03900	8.7
141.09116	26.7
147.11658	6.3
149.09628	52.0
151.03909	5.7
151.07553	2.7
151.11188	40.5
153.01839	30.0
161.13275	8.4
163.11176	3.3
165.12807	9.0
169.08569	3.0
174.10408	2.2
189.12775	17.0
207.13820	77.1
225.14867	100.0
243.15935	58.8
253.00235	3.0
255.11456	2.4
262.03232	2.5
295.08578	2.5
315.07343	4.6
360.01065	2.3
422.14346	2.6
423.13614	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06456	3.9
53.03955	3.3
53.05370	4.1
54.04939	3.4
55.01858	4.2
55.05505	14.6
57.03445	8.8
57.07082	4.4
59.05019	4.2
61.02927	4.0
67.05512	37.2
69.03427	7.1
69.07063	19.2
70.06583	12.3
71.05000	6.0
71.51720	7.3
79.05507	13.9
81.03421	8.4
81.07063	79.6
83.05012	5.7
83.08636	6.6
85.02900	22.3
85.06535	5.0
91.05478	30.7
93.07042	16.3
95.04987	9.4
95.08602	15.6
97.02880	11.5
97.06506	7.6
99.08098	5.1
103.05405	3.5
105.07050	30.2
107.04953	6.0
107.08592	14.8
109.06499	6.1
109.10181	7.6
111.04434	3.7
119.08573	30.7
121.10165	30.5
123.08115	5.9
123.11700	20.3
131.08534	6.7
133.10127	22.4
137.13313	4.5
141.52341	3.8
145.05077	3.7
147.11703	92.4
149.09541	5.4
157.10153	10.2
165.12761	68.4
175.11197	13.8
180.08676	5.6
184.11482	3.4
193.12262	57.2
197.15363	49.2
225.14879	50.0
243.13458	6.0
243.15941	100.0
261.06189	3.7
330.21384	4.3
370.63712	3.7
380.85217	3.9
422.25845	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	422.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01632	1.6
55.01880	26.2
55.70017	0.9
58.99591	9.7
67.18557	1.1
67.27184	0.9
69.07076	24.4
70.06594	4.4
70.56148	2.6
70.93980	0.8
72.08153	2.3
73.02973	0.9
73.06547	3.3
74.00668	6.2
76.02226	7.0
76.04005	2.3
79.05507	1.1
81.03419	2.4
81.07074	1.1
83.04974	1.2
83.06109	2.3
84.04511	20.2
84.08147	2.1
85.02901	1.4
86.09715	2.1
86.99062	6.5
87.02706	2.3
88.02234	1.8
91.05425	1.2
93.07080	1.7
97.06540	100.0
105.07024	1.3
107.04956	1.0
111.18453	0.8
115.07574	3.2
116.01685	33.6
121.06522	2.0
122.86884	0.9
127.05772	8.5
129.06609	3.9
130.05016	6.1
130.06865	3.8
133.10184	1.2
139.03897	1.3
140.30923	0.9
142.03207	2.0
144.01152	13.2
145.10187	0.9
153.01840	4.9
155.05336	2.1
162.02217	38.2
172.07925	18.6
173.06308	1.4
181.06146	0.9
190.08983	41.0
195.13771	1.5
200.07420	8.1
207.13844	1.9
225.14865	2.3
241.09827	1.6
251.09756	1.1
258.07986	20.3
258.12286	1.5
259.10956	1.3
275.10620	3.1
276.08990	21.8
286.09650	0.9
293.11679	29.7
301.12064	2.5
317.13776	1.4
329.11636	1.4
347.12808	8.6
362.11331	1.2
404.13922	1.5
405.13248	2.9
422.14999	3.2
422.20898	2.1
423.14771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3676
Annotation	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane
Peak:m/z	Relative Intensity
53.03928	4.2
55.05511	40.4
57.07080	45.3
67.05509	21.3
67.34367	3.9
69.07072	56.5
71.08632	25.3
71.52460	6.9
76.59081	3.5
79.05495	11.9
81.07071	30.2
83.04980	62.7
83.08629	29.5
85.10178	15.5
89.06018	18.0
91.05479	12.3
93.07038	13.9
95.08630	42.6
96.66569	3.6
97.06527	4.0
97.10175	16.7
105.07021	15.5
105.82162	3.4
107.08603	16.3
109.06538	9.5
109.10160	21.9
111.08067	7.1
111.11702	7.3
116.70176	3.5
119.08604	18.0
121.10164	15.4
123.08080	15.7
123.11724	14.5
131.08580	5.0
133.08600	6.8
133.10114	17.1
135.08046	13.8
135.11678	6.4
137.06000	30.3
137.09592	8.2
137.13228	5.2
139.07529	14.6
145.10107	5.9
146.07346	4.3
147.08096	3.8
147.11736	7.1
149.09543	5.4
151.07539	8.7
151.11130	7.3
155.07114	6.9
161.09621	34.1
161.13264	12.7
163.22375	4.5
165.09038	5.0
165.12805	6.5
175.11191	15.6
177.12695	4.7
179.10735	7.1
179.14381	4.0
189.12753	15.9
193.12289	4.9
207.13763	4.4
375.36264	46.5
385.34753	15.9
403.35721	100.0
421.36856	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10771	0.8
53.42742	0.7
55.01875	25.3
56.05032	1.4
58.99585	10.5
64.31252	0.8
67.05495	1.1
69.03447	1.0
69.07072	21.3
69.72491	3.6
69.72897	1.5
70.06618	1.7
72.08143	1.0
72.50686	0.9
73.01099	0.9
73.06564	4.3
74.00674	6.2
76.02230	6.4
76.03990	2.0
79.05466	1.0
81.07048	1.3
83.06094	2.1
84.04510	19.2
85.01156	1.2
85.02901	1.9
86.99060	7.3
87.02681	1.9
88.02191	2.0
91.05499	1.6
93.07024	1.3
95.04930	1.2
95.08605	1.7
97.02865	1.1
97.06534	100.0
102.00108	1.5
105.07006	1.2
107.04965	2.3
107.08607	1.0
115.07555	3.9
116.00900	1.9
116.01684	32.2
119.08575	2.3
121.06499	2.5
121.10146	1.1
125.05988	1.5
127.03945	1.7
127.05813	4.1
129.06592	5.4
130.05035	5.1
130.06830	2.0
133.10121	1.4
133.78860	0.9
137.09627	1.2
142.03247	2.4
143.06999	0.9
144.01143	13.8
153.01840	12.6
153.02985	1.3
155.05273	3.6
161.13281	1.2
162.02213	32.0
163.11171	3.0
167.03404	1.9
171.02856	1.4
172.07909	13.9
177.12721	1.9
181.12193	1.3
189.12712	1.0
190.08977	32.1
195.25383	0.8
200.07385	6.8
207.13811	3.1
225.11275	1.7
225.14827	4.8
243.15919	2.1
248.33452	0.8
258.07968	22.1
259.10773	1.1
275.10608	2.4
276.09033	25.9
293.08383	1.4
293.11658	23.2
301.11853	1.4
302.09753	0.8
315.06970	1.6
324.67905	0.8
329.11703	1.3
341.01614	0.9
347.12747	11.8
404.14908	1.3
405.13397	1.1
422.15051	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.4
55.01869	8.0
55.05513	29.8
57.03427	9.3
59.04986	3.6
65.03942	6.4
67.05508	100.0
69.03424	6.9
69.07067	15.2
70.06601	5.4
70.13276	11.4
70.58436	2.5
71.04993	7.2
77.70078	2.6
79.05502	46.2
81.03423	33.7
81.07060	49.1
83.04974	11.4
83.08622	20.6
85.02898	5.2
87.02374	2.4
91.05490	60.6
93.07048	41.0
95.04973	64.8
95.08611	32.5
97.02889	3.7
97.06569	4.0
97.10167	10.8
98.20827	3.3
105.04523	3.1
105.07033	34.3
107.04956	23.3
107.08594	20.7
109.02893	3.1
109.06526	9.7
109.10168	55.7
111.04436	3.1
111.08083	8.5
115.05450	7.7
117.07035	14.3
119.04979	4.4
119.08588	25.6
121.06516	26.9
121.10175	13.9
123.04442	3.8
123.08073	6.1
125.09638	8.4
128.06235	3.5
129.06996	16.7
131.04892	2.5
131.08571	20.0
133.06488	6.8
133.10123	14.7
135.08043	11.1
135.11745	3.6
137.06047	2.2
137.09604	12.8
139.07611	3.2
139.11082	3.7
141.07045	5.7
142.07779	5.1
143.08575	10.7
145.06462	6.7
145.10069	13.8
147.08040	8.7
147.11711	7.5
149.09621	7.7
151.07506	3.7
153.06937	3.0
153.09126	2.7
155.08554	3.8
155.10658	3.6
157.06490	2.6
157.10115	9.9
159.08104	3.6
159.11664	9.3
161.06142	2.4
161.09618	5.5
163.11195	10.2
167.08577	3.0
169.10143	6.2
171.11703	8.3
173.09499	3.7
173.11720	12.2
173.13124	5.1
175.11229	14.6
177.12726	6.1
181.10243	2.6
183.11667	3.8
185.09569	6.2
187.11153	2.8
189.09111	7.7
189.11249	5.9
193.12241	21.4
195.11726	3.2
199.11111	5.2
203.10660	10.5
203.12680	4.7
203.14513	4.0
205.12306	5.9
213.12762	3.2
217.12094	4.5
223.13354	5.4
231.13820	4.7
249.14937	12.9
283.20383	3.1
293.19025	2.9
301.21558	7.3
305.83505	2.6
311.20132	14.8
329.21115	81.3
330.21259	3.0
340.15338	7.4
341.21295	3.1
347.22101	10.6
385.23651	6.0
403.24826	36.6
421.17624	2.9
421.26004	65.5
433.24979	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	420.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.3
57.07076	1.9
65.76219	1.0
67.05492	4.7
69.03418	3.7
69.07056	4.0
69.53012	5.1
69.53423	2.7
73.02974	1.2
79.05499	8.3
81.03420	1.9
81.07063	100.0
85.02909	7.1
87.00831	3.6
95.08612	16.4
97.02911	5.6
99.04461	1.9
105.01868	5.2
109.02882	2.0
109.10172	1.6
121.06546	1.2
127.03930	7.2
137.05946	1.4
137.13268	21.5
145.04970	5.3
159.02910	2.3
190.13313	1.1
215.75456	1.2
231.05052	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	420.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67800	1.2
52.37492	1.4
55.05510	1.4
57.03436	5.0
57.07079	100.0
59.05006	30.2
69.07069	3.6
71.08637	75.2
71.26656	2.6
75.04467	2.9
77.57680	1.3
83.08607	3.0
85.10188	65.3
91.13217	1.2
95.08607	2.0
97.06525	5.9
97.10169	1.4
99.11741	10.8
101.09660	1.5
111.11668	1.7
111.72324	1.4
113.13292	3.9
115.07579	23.3
117.09144	12.3
122.42564	1.3
128.24651	1.2
145.10175	1.5
155.17993	6.4
171.13855	1.6
191.12700	1.7
213.22115	9.2
247.63628	1.4
271.26334	10.0
273.43210	1.3
295.99805	1.6
364.17599	2.0
370.99457	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2586
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
55.01875	7.1
55.05516	37.6
57.03439	7.5
57.07054	5.5
61.02913	8.5
67.05509	77.0
69.03444	23.6
69.07069	25.1
71.05006	6.3
71.51463	6.2
73.02916	5.6
79.05499	68.4
81.03432	28.4
81.07063	63.0
82.07381	4.7
83.04982	12.9
83.08607	17.1
85.02895	16.2
85.06506	6.5
91.03916	8.1
91.05489	100.0
91.70140	4.0
93.07055	75.6
95.04978	36.1
95.08618	52.4
97.02900	22.5
97.06536	6.6
97.10172	11.3
99.04458	4.8
99.08113	4.5
103.05431	5.8
105.06404	7.1
105.07045	89.9
106.89156	5.1
107.04965	17.7
107.08590	39.3
109.06490	8.0
109.10172	31.0
109.29381	3.8
110.19810	5.5
111.04438	7.6
111.08084	5.2
113.09669	4.8
115.05475	5.4
117.07023	40.1
119.04924	4.4
119.08595	68.4
121.06493	14.1
121.10158	29.1
123.08108	7.2
123.11691	6.1
125.09630	5.1
127.03870	5.3
128.06232	8.1
129.07040	24.8
130.07797	7.7
131.04904	7.1
131.08568	49.0
133.06451	13.5
133.10127	38.5
135.08057	6.5
135.11682	24.0
141.06982	10.3
142.07768	7.8
143.08577	29.4
145.06502	8.6
145.10146	50.1
147.08032	9.7
147.11697	35.5
149.09618	5.1
149.13280	10.5
155.08577	12.6
157.06488	4.2
157.10170	24.5
159.08029	7.4
159.11694	38.5
159.50995	4.3
161.09586	9.5
161.13287	17.1
163.11279	5.2
167.08549	8.8
169.10133	12.5
171.11700	18.1
173.09645	8.8
173.13284	18.7
175.11244	12.7
175.14926	5.8
181.10179	6.9
183.11739	17.4
185.09619	5.9
185.13258	16.9
187.11195	6.7
187.14793	7.4
195.11667	6.5
197.12996	4.6
199.14880	5.9
201.12788	6.0
203.10640	6.4
209.13365	4.7
215.14381	4.9
216.97948	4.7
241.19438	9.9
241.71545	4.9
257.18942	16.1
259.20581	37.7
267.06613	5.2
271.20547	8.0
273.22009	5.4
275.20169	12.8
285.21902	5.3
289.21783	5.2
301.21710	31.3
313.21594	7.1
315.23016	5.4
319.22620	8.5
329.21085	36.1
332.10501	4.8
333.05563	5.0
339.23019	10.2
347.21988	5.4
349.21713	9.4
367.22870	32.6
385.23813	35.2
403.24789	57.0
404.25098	6.4
421.25836	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80580	0.4
55.05544	0.8
57.03463	0.7
61.02924	1.1
67.05499	1.9
69.03427	2.0
70.06538	0.7
70.66936	1.2
70.67285	0.9
71.04985	1.7
81.03423	1.1
81.07076	0.6
83.01334	0.6
83.05000	3.2
85.02913	5.8
86.66764	0.5
91.05495	0.8
93.07049	2.1
95.04988	2.4
95.08626	4.1
97.02921	2.2
97.06535	1.1
105.07042	2.0
106.08531	0.5
107.04903	0.5
107.08598	1.4
109.02884	0.6
109.06497	1.0
109.10166	2.4
113.06023	0.5
119.08576	1.3
121.06516	1.6
121.10153	2.5
123.08085	100.0
124.03983	1.4
124.08389	1.0
125.06028	0.6
125.09666	1.4
127.03963	1.1
133.10143	2.0
135.08044	1.3
135.11728	1.5
137.05984	2.1
137.09633	2.1
138.80855	0.6
139.03900	0.6
139.07549	0.8
139.23508	0.5
141.09084	0.9
145.04871	0.6
145.10153	1.3
149.06065	0.9
149.13280	0.7
151.11205	1.6
153.01865	1.3
153.09152	0.9
159.11732	0.9
161.09642	13.6
163.11194	5.7
165.09160	0.6
167.07005	0.6
177.12770	1.1
179.10693	38.2
180.10947	0.8
181.12273	1.3
185.26610	0.5
197.11763	7.1
205.12286	3.4
223.13321	17.5
241.14407	8.4
331.02713	0.7
420.13388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89919	0.4
53.03936	1.1
56.96565	0.7
62.06070	0.5
64.46135	0.6
65.30415	0.5
71.50083	0.5
82.57253	0.4
84.08132	1.9
84.11851	0.5
84.56528	0.5
91.05489	3.7
93.07056	5.3
95.04940	0.9
95.69353	0.5
98.97562	0.8
103.05489	4.7
104.07110	0.7
106.05037	0.5
121.06509	100.0
122.06875	0.8
123.04379	0.5
130.08621	0.5
137.05951	2.9
138.06322	1.1
138.09142	28.1
147.66144	0.5
153.01842	1.4
154.08672	0.7
155.09123	0.8
180.66646	0.5
196.35025	0.4
201.06145	0.8
212.07675	0.7
230.08728	0.6
291.09381	2.3
305.10883	0.9
321.71594	0.5
419.76215	0.5
420.17026	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01879	0.5
56.96566	0.6
69.77548	2.2
84.08135	0.6
85.02890	0.6
91.05479	3.4
93.07056	5.2
95.04954	0.5
98.97591	0.8
103.05465	3.4
121.06512	100.0
122.06838	1.1
137.05980	2.1
138.09146	29.2
153.01836	2.7
154.08583	0.6
176.81491	0.4
239.48613	0.5
299.98062	0.4
328.11963	0.5
381.09628	0.5
406.09195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
68.99774	0.9
69.40032	5.6
69.40446	1.3
70.06596	100.0
71.06894	0.9
81.03412	1.7
81.07050	0.9
83.01337	1.2
91.05482	1.4
93.07030	2.0
94.06588	1.3
97.02898	1.2
107.04963	2.3
109.02856	2.2
114.09165	3.0
120.79559	0.9
121.02882	0.8
121.06512	4.4
122.06026	2.6
123.04473	1.7
125.06034	1.6
127.03926	6.5
135.04416	3.4
136.07574	1.5
137.05969	2.2
138.05518	1.4
138.09129	0.9
139.03909	32.8
140.03421	1.8
140.07092	2.0
141.05515	1.0
147.04362	1.1
147.07947	1.0
149.05960	6.7
151.03957	5.5
151.07524	1.7
153.01808	3.6
154.08643	2.8
163.03899	7.6
164.07089	1.4
165.05484	2.1
175.07533	2.0
177.05475	58.1
179.07034	3.8
181.04956	2.9
182.08119	3.6
189.05423	1.7
193.08522	1.4
200.05656	1.0
200.09225	1.0
203.07033	1.1
221.08116	20.5
222.65074	0.8
234.11266	6.7
252.12294	1.4
290.10187	1.2
308.11203	1.8
326.12268	1.0
345.09760	10.4
371.11209	1.9
389.11951	1.5
402.15521	52.1
403.15500	1.4
420.11792	1.0
420.16687	7.3
439.70844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03472	0.9
55.01868	1.1
55.04251	0.8
55.47292	0.7
61.85292	0.6
68.99801	1.9
69.03441	0.9
70.06597	100.0
70.74946	2.2
72.08173	1.1
75.94456	0.7
79.05500	1.5
81.03452	1.1
83.01369	1.1
84.08145	1.7
85.02917	1.4
91.05494	1.6
93.07065	1.8
97.02902	1.1
107.05005	2.1
109.02892	1.4
114.09171	1.5
121.06545	3.2
122.06037	1.7
123.04475	2.1
125.05978	1.7
127.03949	2.6
131.08572	0.9
133.06546	1.2
135.04410	3.4
136.06219	1.6
136.07616	1.0
137.06032	2.3
138.09151	0.8
139.03906	30.7
140.03429	2.6
141.05498	0.8
149.05991	4.5
149.09630	0.7
151.03905	5.0
151.07552	1.3
153.01859	4.3
154.08694	1.2
159.04515	0.8
161.05975	1.2
163.03925	7.2
165.05496	1.3
175.07619	1.9
177.05482	57.6
179.07033	5.2
181.05020	3.2
182.08156	1.6
189.05499	0.9
193.08633	2.4
200.09341	0.9
221.05968	1.5
221.08081	21.5
221.10118	1.2
234.11269	6.6
252.12480	1.4
327.08936	1.6
345.09695	9.0
371.11566	2.0
389.12451	1.3
402.15491	50.3
403.15851	1.4
420.16681	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	419.1551
Annotation	Itoside I
Peak:m/z	Relative Intensity
60.04544	1.9
69.03427	3.8
69.07057	2.2
70.06579	4.0
71.05484	5.8
72.08153	4.1
75.37553	2.3
79.01842	3.6
81.03411	4.8
81.07074	1.9
85.02901	7.6
86.09700	6.6
91.05457	2.5
97.02888	2.2
105.07033	2.6
107.04916	1.9
109.02883	7.0
122.06070	3.5
123.04443	6.9
125.02354	4.5
127.03920	8.7
127.05026	6.3
133.06467	4.6
137.05965	7.9
137.07074	1.7
139.03914	2.5
140.07013	2.6
143.03372	4.3
153.01840	100.0
153.02879	4.4
163.03961	2.3
171.02892	10.2
230.04494	7.6
238.34300	2.3
242.08131	6.7
257.14850	6.5
262.06949	2.5
278.10306	5.8
297.05911	2.3
315.07031	10.1
324.62335	1.8
401.05038	4.2
419.14221	2.2
419.19073	2.5
444.49176	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	419.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
57.07067	0.6
69.07056	0.3
71.08629	0.5
76.96851	0.3
76.99551	0.3
79.38350	0.2
85.10175	0.3
99.00849	0.4
99.04458	3.3
111.04439	3.4
113.02421	0.3
125.06004	10.2
141.05469	4.4
153.05473	100.0
154.05840	1.1
167.07033	0.7
224.07770	0.3
251.04787	0.3
311.60245	0.3
419.35208	31.0
420.35526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0976
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
56.29529	0.5
56.38812	0.6
57.03438	5.7
61.02926	1.2
69.03412	0.6
69.54805	3.6
73.02510	0.9
73.02921	13.5
79.05515	0.6
84.14886	0.6
91.62340	0.5
97.02874	0.7
100.41626	0.6
107.04946	1.2
111.00779	1.4
121.02871	2.8
131.08640	0.7
133.02914	0.8
137.02321	0.8
147.04459	0.7
153.01834	5.5
155.44827	0.5
165.01842	2.3
167.07024	1.6
183.06480	0.6
187.07434	0.7
213.05528	1.6
241.05029	0.7
249.11256	3.4
258.05255	1.8
287.05511	100.0
288.05798	2.7
327.12210	1.4
401.15616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.05514	100.0
55.66005	4.1
55.93372	3.7
56.42095	3.8
67.91844	4.4
69.03452	10.1
69.07100	5.2
70.06592	9.0
72.08155	4.3
72.15042	4.1
73.06558	25.4
74.85894	3.9
91.07610	56.4
93.07084	5.5
95.08628	6.5
101.22421	4.0
105.07034	6.5
138.09212	5.3
149.02362	82.2
166.08678	8.6
221.08145	12.8
225.14845	5.5
239.08916	6.3
239.12860	8.4
253.93105	4.7
257.02560	4.6
400.14093	6.8
418.20239	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	418.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84172	0.9
61.02927	1.7
69.03424	1.9
70.55749	2.9
72.76754	0.9
81.15030	1.0
85.02916	8.8
87.04472	1.6
89.06038	72.8
97.02898	2.9
99.02396	1.1
133.08615	38.2
151.09668	3.3
153.01860	1.5
177.11223	7.4
180.06543	2.7
195.12311	2.5
239.14915	100.0
321.53885	1.0
350.63223	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
62.06092	48.2
65.70157	1.0
69.03422	3.3
69.47706	0.9
70.04841	4.9
70.06593	1.1
70.32282	0.9
79.01852	3.3
80.00240	1.0
81.03434	9.4
85.02911	4.6
86.06072	21.7
87.04465	3.9
89.06033	10.5
97.02917	6.6
98.20852	1.9
104.07108	100.0
105.06986	6.4
107.01323	1.6
109.02875	5.6
117.65865	0.9
122.09658	4.2
125.02354	4.1
127.03938	6.1
133.08629	4.9
136.07642	1.2
143.03380	5.1
145.04932	1.5
153.01839	96.8
153.02902	4.7
154.02187	1.6
162.73323	1.1
171.02898	10.9
217.58423	1.0
239.14912	14.3
266.12402	1.6
297.06036	8.5
312.84036	0.9
315.07071	7.2
418.16687	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	418.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49536	1.0
59.58986	1.1
64.50007	1.2
70.29131	4.1
91.05479	1.5
95.04960	1.5
100.73857	1.0
105.03355	1.5
105.07063	1.2
107.04939	10.4
123.08095	7.0
130.06465	1.1
140.04936	3.5
154.06473	1.2
155.06039	21.3
167.05997	7.1
168.06873	4.1
169.07619	36.6
170.06021	3.9
179.06039	12.9
181.05135	2.2
181.07591	2.5
182.06073	1.8
182.08372	3.4
183.05537	19.1
183.09180	2.6
184.07553	1.5
185.07092	10.0
192.06839	1.7
193.07631	13.5
194.06123	1.1
195.05527	29.5
196.06310	14.7
197.07103	27.7
198.05540	7.1
201.06732	2.6
207.05431	7.2
208.06262	2.2
209.07054	4.0
210.07890	1.9
211.05083	6.5
211.08595	5.6
213.06610	23.0
221.07120	22.5
222.07664	1.6
223.05074	2.6
225.06583	46.5
225.14761	1.9
226.06924	1.6
227.12004	1.1
229.06064	19.7
237.06590	5.7
238.07266	5.5
239.04483	3.3
239.08150	27.0
241.06108	4.3
243.07690	6.8
249.06592	8.8
250.74925	1.1
253.06094	15.2
255.07686	2.1
256.11639	2.0
257.05545	4.9
265.06110	2.9
267.07651	18.0
269.05603	4.9
271.07135	28.0
271.16687	1.3
277.06042	11.0
283.07144	2.1
285.08691	39.3
286.09006	2.1
295.07138	39.4
310.08109	1.6
312.09845	2.1
313.08182	47.2
314.08606	1.7
331.09210	14.8
340.09280	5.3
341.10049	1.6
354.10925	5.4
358.10339	44.9
372.12000	6.2
382.10406	9.1
400.11380	56.2
401.11600	1.6
418.12439	100.0
419.12692	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	417.1549
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03937	1.1
55.01859	2.1
55.05490	2.2
63.79665	0.6
65.03941	3.8
67.05481	2.0
69.03420	1.0
69.07041	0.7
70.06585	2.5
70.75144	0.6
71.50439	0.7
71.50873	0.8
72.47128	0.6
73.40266	0.6
77.81706	0.7
78.04704	3.3
79.05506	4.3
81.03426	1.0
81.07064	3.8
82.04161	1.4
85.02885	2.5
85.06532	0.7
91.05473	3.5
93.03407	0.9
93.07032	2.0
95.04931	2.3
95.08603	1.0
97.06517	2.1
100.11245	1.9
102.59887	0.7
103.05462	7.1
105.03374	1.0
105.07011	2.2
106.04173	1.6
107.04964	6.4
109.06435	0.8
109.10194	1.0
110.03679	1.6
111.04417	1.1
115.05456	3.7
117.07034	6.0
118.04118	1.5
118.75841	0.7
119.08581	1.7
121.06539	1.1
121.10118	0.8
123.04433	8.3
123.11731	0.8
124.05212	2.4
125.06004	1.9
127.05437	1.5
128.06131	1.0
131.04935	4.0
133.06480	1.2
133.10207	1.1
135.04341	0.8
135.11760	1.1
137.05983	1.2
142.02650	1.2
145.06487	7.1
145.10104	1.0
147.11736	1.2
148.05188	3.5
151.03920	1.1
152.04695	1.5
153.01819	1.3
153.05495	0.8
155.06065	3.0
162.09087	0.7
163.03957	0.7
163.07552	5.0
165.05482	1.0
167.07048	100.0
168.07329	1.2
171.06520	1.9
173.05989	13.1
174.06691	0.7
175.07568	1.1
181.04971	47.2
182.15440	1.4
187.07643	1.2
191.07048	14.3
191.08791	0.8
195.06587	0.8
205.08591	3.0
210.14891	1.1
217.08737	1.1
233.08070	6.6
235.09691	4.2
268.07932	0.8
269.08148	0.9
283.10785	1.4
301.11743	1.0
319.12750	1.1
329.10516	1.4
381.13544	0.8
387.14410	10.7
399.14380	1.7
399.19101	0.8
417.15503	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	417.1547
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
53.03936	1.1
53.62503	0.4
55.01861	1.6
55.05509	1.0
65.03941	3.5
67.05500	2.3
68.99799	0.5
69.03416	0.9
69.07059	0.9
69.44553	0.4
69.44861	3.3
70.06586	0.7
72.98408	0.4
78.04716	3.0
79.05496	3.9
81.03408	1.0
81.07071	2.4
82.04189	1.2
85.02914	3.1
91.05479	2.7
93.03392	0.8
93.07050	0.9
94.81712	0.4
95.04954	1.8
95.08604	1.0
96.05782	0.4
97.06514	1.6
101.02405	0.4
103.04806	0.7
103.05467	8.7
105.03426	0.6
105.07052	2.5
106.04157	1.6
107.04967	4.6
107.08609	1.0
108.02112	0.7
109.06529	0.8
110.03649	1.5
111.04430	1.1
115.05460	4.5
117.07020	5.5
118.04146	2.1
119.04929	0.8
119.08583	1.3
121.06549	0.4
122.03617	0.6
123.04436	8.2
123.11723	0.7
124.05202	3.0
125.05961	1.5
127.05453	0.7
129.07019	0.6
130.04132	0.8
131.04933	6.6
131.08591	0.6
133.02840	1.1
133.06502	1.8
134.03627	0.6
137.05952	1.4
138.03117	1.2
139.03876	0.9
142.02625	1.5
143.03371	0.5
145.06494	8.4
146.03630	0.6
147.04414	0.5
147.08052	0.8
147.11702	1.2
148.05200	3.8
149.06024	0.6
151.03871	2.2
152.04697	3.0
153.01828	0.6
153.05464	1.4
154.89040	0.4
155.06030	3.8
156.05603	0.4
161.06009	0.8
163.03952	0.7
163.07550	7.7
165.12666	0.8
167.07045	100.0
168.07397	1.4
171.06589	1.3
173.06003	15.5
175.07527	1.3
176.04688	1.1
181.04965	46.7
182.05453	0.5
187.07607	0.6
189.05539	0.5
189.09099	0.7
191.07039	22.5
193.08640	0.8
195.06543	1.7
201.05586	0.7
203.06967	0.7
205.08655	3.2
206.20518	0.5
217.08600	1.3
218.99730	0.4
219.06516	0.5
219.10216	1.5
221.08214	0.5
226.06233	0.5
232.44406	0.4
233.08102	8.2
234.30373	0.6
235.09669	3.7
241.08713	0.5
263.09171	1.0
267.09943	0.5
273.32983	0.4
319.89374	0.5
327.12131	0.5
329.10257	1.4
329.75232	0.5
337.31393	0.4
339.12442	0.8
355.12000	0.6
357.13184	0.5
367.12021	0.8
385.12717	1.4
387.14453	11.4
399.14536	1.4
417.15454	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	417.1183
Annotation	Daidzin
Peak:m/z	Relative Intensity
53.03929	0.2
55.05484	0.2
67.01856	0.6
67.05498	0.5
68.99790	0.6
69.07031	0.2
69.14581	0.2
69.85893	0.7
70.06580	0.3
70.77856	0.2
77.39752	0.2
81.03384	0.2
81.07043	0.5
83.05003	0.2
85.02883	0.4
91.05467	0.4
93.07059	0.3
95.08601	0.4
97.02862	0.3
101.94299	0.2
103.05458	0.8
105.03373	0.4
105.07047	0.3
106.97685	0.2
107.04979	0.2
107.08601	0.5
109.10147	0.2
111.04438	0.3
121.10095	0.2
123.08144	0.2
125.02324	0.2
129.03375	0.5
130.06506	0.2
139.03867	0.3
142.75713	0.2
143.03346	0.3
145.06462	0.2
147.04424	0.5
147.11707	0.2
151.07568	0.3
153.01839	8.1
154.02170	0.3
159.11583	0.2
167.07059	1.9
171.02928	0.3
173.06003	0.4
181.04956	0.8
187.07596	0.3
188.95972	0.2
191.06975	0.3
207.02852	0.2
209.06047	0.4
213.05504	0.3
214.63486	0.2
231.06432	0.3
233.08253	0.2
255.06529	100.0
256.06827	1.7
303.05084	0.4
359.00824	0.4
377.01907	3.0
378.02115	0.4
387.14282	0.2
395.02945	0.6
417.15338	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1547
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
50.01583	0.7
53.03931	0.7
53.87084	0.6
54.75366	0.5
55.01858	1.5
55.05493	0.6
62.24688	0.6
65.03944	3.4
67.05487	1.9
69.03423	1.4
69.07051	1.3
70.06575	2.5
71.50645	1.0
78.04695	2.6
79.05498	4.2
79.21069	0.6
81.03413	0.8
81.07040	2.8
82.04195	1.4
83.04968	1.2
85.02886	2.6
91.05503	3.5
92.93025	0.5
93.03381	0.9
93.07027	1.7
95.04940	2.0
95.08569	1.0
97.06503	1.3
100.60827	0.6
102.04692	0.7
103.04803	0.8
103.05463	11.2
105.03392	0.7
105.04552	0.7
105.07018	2.7
106.04163	2.3
107.04965	4.2
107.08616	0.8
108.02123	0.7
109.10147	1.5
110.03653	1.9
111.04417	1.2
111.08051	0.6
115.05439	4.9
117.07016	6.6
118.04142	2.2
119.04971	1.2
119.08585	1.1
120.08096	0.6
121.06533	0.8
121.10152	0.9
123.04433	6.6
124.05182	2.8
125.05986	1.7
127.03912	0.7
130.04132	1.1
131.04939	7.8
133.02858	1.5
133.06465	1.3
133.10080	0.6
134.03607	1.3
135.08038	1.3
135.11711	0.7
137.05957	1.6
142.02617	1.9
142.16656	0.6
145.05432	0.8
145.06493	8.4
146.03600	0.8
147.11588	0.8
148.05202	7.1
149.05954	1.6
151.03877	2.0
151.07506	0.8
152.04695	3.1
153.01828	1.0
153.05510	1.2
155.06000	3.7
161.06059	1.2
163.07552	10.5
165.09132	1.1
166.02715	0.7
167.07042	100.0
168.07361	0.6
171.06490	1.9
173.05991	15.5
175.07539	0.8
176.04579	1.1
177.05429	0.6
181.04958	53.8
182.05301	1.1
187.07465	0.9
191.07033	34.5
193.04910	0.9
195.06517	1.6
205.08566	3.9
207.06526	0.7
207.10207	0.8
209.08124	1.3
217.08650	1.2
219.10008	1.1
221.08067	0.8
233.08110	9.6
235.07651	0.9
235.09601	3.8
245.08037	1.0
255.06427	1.1
263.09213	1.7
291.11700	0.7
325.10968	0.9
339.12350	0.8
341.66211	0.7
357.13577	0.8
367.11780	1.1
381.13199	0.7
385.12781	1.4
387.14383	13.4
399.14532	0.7
417.15445	26.8
417.24231	1.2
418.15308	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.3
55.05505	0.8
56.67087	0.3
57.07077	0.7
67.05512	3.3
69.03429	0.5
69.07063	0.9
71.08635	0.5
71.51385	0.5
71.51761	0.3
75.91209	0.3
76.63036	0.3
79.05508	1.5
81.07057	0.7
83.04974	0.5
83.08622	0.7
91.05480	0.4
93.07044	1.0
94.07833	0.3
95.04961	0.4
95.08613	6.5
97.10193	0.3
98.36292	0.3
105.07043	1.5
105.83973	0.3
107.04959	5.8
107.08615	0.4
108.05750	0.6
109.06502	0.6
111.04443	1.0
119.08547	0.3
121.06519	1.5
122.07294	7.1
123.08075	11.3
124.08842	0.5
135.08075	3.0
137.05986	2.1
138.06792	0.8
142.19438	0.3
145.10133	1.0
149.09624	0.6
150.05544	0.6
150.06776	16.4
151.07552	100.0
152.08353	5.6
163.07588	1.3
163.11172	1.1
164.08345	3.4
165.09117	0.4
173.09653	1.0
176.08327	1.3
177.09140	1.5
178.09633	0.3
191.10692	16.0
201.31363	0.3
205.12318	0.9
206.12677	0.4
219.13962	0.3
373.30960	0.5
416.36520	66.4
417.36774	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	417.1184
Annotation	Chrysin 7-O-beta-galactopyranoside
Peak:m/z	Relative Intensity
55.01869	1.2
55.05500	1.1
61.02902	1.1
67.01863	1.2
67.05502	1.6
68.99778	1.8
69.03424	0.9
69.07064	1.3
69.80164	4.3
79.05489	2.8
81.03419	0.9
81.07063	2.1
85.02905	3.4
91.05471	1.4
93.07018	1.6
95.04990	1.1
95.08603	1.1
97.06499	1.2
103.05442	1.5
105.07021	2.4
107.08567	1.8
109.02872	0.9
119.08598	1.3
121.10123	1.6
123.04431	2.0
127.03897	2.1
129.07010	1.0
131.04901	1.1
131.08528	1.8
133.06500	1.2
135.04413	1.6
135.08015	1.1
139.03909	22.9
149.09590	2.2
151.03947	2.3
151.07439	1.2
153.01848	4.5
163.03911	11.5
165.05511	1.2
167.07042	7.3
177.09146	3.6
179.03355	0.9
181.04936	3.9
181.06352	1.0
189.09030	1.4
191.07095	1.2
203.10635	1.1
205.05090	0.9
212.63675	0.9
213.05568	1.3
227.07005	2.1
231.10019	1.8
255.06538	100.0
256.06827	2.8
267.06616	1.3
269.11713	1.9
283.13144	1.4
295.06058	1.5
296.06876	1.3
297.07404	1.4
311.12686	1.6
321.11203	2.4
339.12302	11.5
357.13251	3.1
361.09952	1.0
367.11746	2.1
385.12949	1.7
399.14441	4.8
417.15463	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	416.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.8
57.07076	0.6
57.24321	0.4
64.56862	0.4
67.05506	3.1
69.03402	0.5
69.07063	1.1
71.08640	0.5
71.25237	0.8
79.05479	1.3
81.07056	1.0
83.04969	0.7
83.08617	0.6
84.71230	0.4
91.05504	0.6
93.07014	0.6
95.08611	6.3
105.07037	1.7
107.04966	5.9
108.05740	0.7
109.06519	0.7
111.04423	0.6
118.04382	0.6
121.06491	1.4
122.07299	7.3
123.08084	10.8
124.08807	0.5
135.08038	2.9
137.05980	2.4
138.06760	1.4
145.10144	0.5
149.06009	0.5
149.09628	0.5
150.06770	17.7
151.07553	100.0
152.08340	6.4
161.05974	0.5
163.07555	1.1
163.11157	0.9
164.08379	3.1
173.09633	1.4
176.08296	1.2
177.09100	2.4
191.10687	17.2
205.12215	1.1
231.32964	0.5
287.12186	0.5
304.71194	0.5
317.27527	0.5
365.66763	0.5
373.31207	0.6
393.66455	0.5
416.36520	70.6
417.36862	1.9
429.54388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3573
Annotation	3,4-Dehydro-gamma-tocopherol
Peak:m/z	Relative Intensity
53.35450	0.4
55.05513	2.2
57.07084	4.8
67.05511	2.9
68.25270	0.4
69.07077	3.5
71.08345	0.4
71.08641	4.1
71.95403	0.4
76.83160	0.4
79.05490	1.3
81.07058	3.8
83.01336	0.6
83.08610	2.5
85.10165	1.9
91.05483	1.1
93.07049	0.9
95.08613	7.6
97.10159	1.6
105.07069	2.6
106.12025	0.4
107.08582	0.9
108.05738	0.8
109.10136	1.3
111.04436	2.0
111.11684	1.1
117.07035	0.6
119.08585	1.9
121.06534	0.9
121.10149	0.6
123.08077	7.5
123.11711	0.6
124.52433	0.4
125.13232	0.5
131.08556	2.6
135.08047	6.5
137.05974	0.9
145.10152	1.7
149.09625	3.2
150.06757	0.7
151.07550	100.0
152.08003	0.9
159.08049	2.5
159.11685	1.0
161.09680	1.0
162.06757	1.2
163.07556	1.6
163.11197	2.0
165.09105	4.4
172.08797	0.6
173.09607	1.6
173.13347	0.5
175.07555	0.5
175.11169	0.5
176.08321	1.7
177.09114	25.3
187.11194	1.3
189.12733	1.3
189.26613	0.5
191.10675	26.3
201.12787	0.7
205.12247	12.1
219.13823	1.9
387.32547	0.5
415.35645	5.2
416.36398	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	415.1392
Annotation	(+)-Epiexcelsin
Peak:m/z	Relative Intensity
51.93872	0.5
55.01882	1.2
55.05496	1.5
59.43376	0.7
65.03934	0.8
67.05494	2.5
68.99783	1.2
69.03424	1.4
69.07061	2.0
70.06598	1.5
79.05499	3.1
81.03416	1.1
81.07059	3.1
83.04974	1.0
83.08607	0.8
85.02901	2.0
85.06570	0.7
91.05479	2.8
93.07033	2.8
95.04982	1.8
95.08626	2.0
96.35099	0.6
97.02890	1.0
97.06526	2.6
99.08061	0.7
105.07027	1.9
107.04977	1.0
107.08604	2.1
109.06527	0.9
109.10177	1.4
111.00800	1.4
115.05457	0.9
117.06998	1.9
119.08589	2.1
121.06505	0.8
121.10126	1.0
123.04444	2.1
123.11690	1.1
127.03909	1.6
127.11332	0.7
129.07033	0.9
131.04999	0.9
131.08527	1.2
133.10121	0.6
135.08003	0.7
137.06035	0.8
139.03900	4.6
145.06546	0.7
145.10107	1.1
147.04417	1.6
149.09621	1.3
150.03192	1.1
151.07593	1.2
153.01849	2.1
153.05583	0.7
159.11719	1.2
161.05992	1.3
161.09698	0.8
163.03912	10.2
167.01520	0.6
167.07057	0.8
173.06013	1.1
173.09618	0.9
175.07504	0.9
176.04648	3.5
177.05479	1.8
179.03426	2.6
181.04996	1.2
183.08176	1.1
185.06114	0.7
187.03867	1.0
187.11191	0.9
188.04745	2.1
189.05498	8.9
190.06091	0.7
195.13898	0.9
199.53999	0.6
199.84277	0.8
201.05537	2.2
201.09160	1.6
202.06261	0.7
203.03429	1.5
203.07037	2.5
205.04953	1.1
213.05420	2.6
215.06952	0.7
215.10710	1.1
217.04964	3.4
225.08917	0.8
227.07118	2.2
228.07851	0.7
229.05028	2.4
229.08652	1.2
231.06538	1.9
231.10321	0.6
239.07060	4.6
241.05025	3.5
241.08699	0.8
242.05806	0.8
243.06534	0.9
245.04420	0.7
247.05988	0.8
252.07878	1.0
253.08597	1.9
255.06561	4.7
255.10240	0.7
256.07385	2.5
257.04465	1.0
257.08206	0.8
258.05338	1.1
259.06006	3.5
261.07675	3.4
267.06543	1.9
267.10211	1.0
269.04498	5.1
269.07382	0.6
269.08121	0.7
269.11786	1.3
271.06149	1.0
271.09827	0.7
271.13403	1.2
280.07324	0.8
281.11746	5.9
283.06018	3.0
284.06750	2.4
285.08197	0.7
285.11337	2.3
287.05515	5.0
293.07745	0.7
295.06165	1.3
295.09396	0.8
297.07874	1.0
297.11139	2.0
298.11804	0.7
299.05630	1.1
299.12827	10.6
309.11166	5.4
311.09320	1.3
312.06329	2.4
313.10718	1.3
325.10550	1.3
326.11545	2.7
327.12280	6.1
337.10620	3.5
341.13846	1.5
355.11743	11.1
359.14795	1.7
365.10376	2.7
369.13443	2.1
383.11383	1.2
387.14429	4.9
391.97693	1.0
397.12973	1.6
409.98651	0.7
415.13922	100.0
416.14346	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91852	0.5
55.01845	0.5
56.05025	0.6
67.05497	1.7
67.94870	0.5
68.05021	5.5
69.03418	2.0
70.06593	2.3
71.04976	1.9
71.26041	0.8
71.38621	0.4
79.05481	1.0
80.05018	4.3
81.03419	0.9
81.07059	2.3
81.74779	0.5
83.04971	0.9
84.08131	0.6
85.02907	0.8
86.09701	1.6
91.05489	1.0
93.07059	0.7
93.50301	0.4
94.06541	0.8
95.01310	0.9
95.04974	4.8
96.04448	0.5
96.08122	0.6
97.02901	1.1
98.06059	46.2
99.06348	0.6
100.03979	0.6
107.04977	0.6
109.06509	3.4
114.05502	1.0
116.07095	32.2
121.06454	0.8
124.07573	1.9
128.07076	0.6
136.06172	6.2
137.05803	3.4
138.09114	0.5
139.03946	0.9
139.07578	1.3
140.07080	3.7
147.11578	0.6
152.07104	1.2
153.01851	1.0
154.08569	0.6
158.08134	14.1
162.04077	3.2
163.04330	1.6
164.07062	1.3
165.05476	4.2
174.11276	0.7
176.09189	100.0
177.09515	0.8
244.12132	0.6
252.08754	0.5
252.12410	1.5
257.12820	0.6
275.13937	1.9
281.09915	1.3
282.10217	3.5
378.58820	0.6
414.21237	40.4
415.21631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3779
Annotation	Adiantone
Peak:m/z	Relative Intensity
50.73623	1.8
55.05495	5.3
57.07059	5.2
67.05492	5.2
69.07072	9.9
71.08621	5.6
71.51810	3.6
72.52467	1.7
75.03842	1.8
79.05500	12.7
80.91024	1.9
81.07059	17.3
83.04967	8.2
83.08605	7.8
85.10175	2.0
89.27968	2.0
91.05497	3.4
93.07035	6.9
95.04976	2.4
95.08607	9.9
97.06531	97.0
97.10154	3.0
105.07024	2.6
107.08572	5.8
109.06519	100.0
109.10146	5.7
116.44482	1.9
119.08575	3.8
121.10124	4.1
123.08041	11.4
123.11668	5.1
133.10092	3.5
135.11726	2.9
145.10075	4.1
147.11694	2.5
149.13268	2.7
157.10167	2.6
159.11722	3.8
161.13139	2.2
163.11208	2.2
163.14760	2.2
177.12784	3.1
225.91061	2.1
236.80577	2.2
395.36890	4.6
413.32401	6.1
413.37741	55.3
414.38135	2.3
433.56464	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	413.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.2
55.05518	60.9
57.03444	24.0
57.07083	57.4
67.05511	23.5
69.07073	70.9
71.01163	3.0
71.01492	3.9
71.05002	3.5
71.08286	3.3
71.08640	32.4
73.06596	2.6
78.50559	2.2
79.05482	9.0
79.52853	2.3
81.07059	33.4
83.04975	2.5
83.08625	46.5
84.28499	2.3
85.10199	18.6
91.05476	3.7
93.07040	10.9
95.08607	30.5
97.06535	10.3
97.10178	37.3
107.08623	12.4
109.10171	12.1
111.08075	7.5
111.11729	8.1
115.07590	3.2
121.10137	11.7
123.11736	6.2
125.09669	5.6
135.11688	9.0
139.11197	9.3
142.26987	2.3
149.13295	11.1
153.12794	6.7
163.14842	5.7
167.14342	3.5
181.15939	5.2
185.61612	2.4
191.17949	3.0
195.17471	2.9
209.19090	4.7
219.20901	3.8
223.85939	2.4
249.47092	2.4
303.30405	5.4
303.50485	2.3
321.31598	11.9
395.35266	17.6
413.36304	100.0
414.36584	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	3.4
55.01888	2.2
55.05269	3.3
55.05515	49.1
57.03437	25.1
57.07078	46.3
67.05502	29.4
69.03426	4.3
69.07071	68.5
71.05001	6.5
71.08636	30.2
71.51579	4.3
75.04484	2.5
79.05512	11.7
81.03422	4.2
81.07055	39.4
83.04958	2.7
83.08620	49.2
85.06535	2.6
85.10188	20.3
93.07060	17.8
95.08609	36.9
95.15871	2.4
97.06551	10.8
97.10168	29.8
101.21483	2.2
105.07047	3.6
107.08583	11.8
109.10149	18.0
111.08102	6.8
111.11742	8.0
115.07634	3.0
121.10133	15.8
123.11725	7.0
125.09637	9.0
125.13270	2.9
135.11679	14.1
136.20316	2.6
139.11224	4.9
149.13304	8.2
151.07535	4.2
153.12709	7.4
163.14851	5.4
167.14314	3.6
177.16379	2.5
181.15935	3.0
195.17424	2.9
202.06779	2.5
205.19499	4.5
222.15672	2.6
230.10373	2.2
233.49318	2.5
303.30560	6.6
321.31448	15.5
395.35260	16.2
413.21768	5.2
413.28714	32.3
413.36227	100.0
414.36499	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	413.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.1
57.03421	1.3
57.07062	2.8
67.05495	4.8
69.03442	1.4
69.07063	6.3
70.06564	1.1
71.04984	1.0
71.08614	1.4
71.47375	1.3
72.90909	0.8
79.05482	4.2
81.03402	2.3
81.07055	9.3
83.04977	1.4
83.08608	3.2
85.10191	1.0
91.05473	3.2
93.07036	3.2
95.08620	11.5
97.10184	2.2
105.07037	3.9
107.08591	2.7
109.10175	4.8
111.04439	2.6
119.08593	3.2
121.06485	2.7
121.10184	0.9
123.08067	5.9
123.11725	2.9
131.08533	1.0
133.10150	1.8
135.07112	1.5
135.08060	15.1
135.11726	1.3
137.13319	1.4
143.08519	1.1
145.10143	4.1
149.09650	2.3
149.13293	1.2
151.07550	42.9
156.71785	1.2
158.07144	1.2
159.11816	1.0
163.11191	6.0
165.09198	1.8
173.09630	5.0
175.07553	4.0
176.08289	4.8
177.09082	8.9
181.23701	1.0
189.09125	2.1
191.10686	100.0
192.10956	1.4
193.12141	1.0
203.10712	2.2
205.12230	7.2
217.12270	2.4
231.13809	1.4
333.70987	1.1
349.16830	2.7
404.01624	1.1
413.21536	2.3
413.34100	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	413.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	6.4
57.07064	3.9
60.80726	1.0
67.05513	10.6
69.03420	3.5
69.07080	7.0
69.25443	10.6
70.06581	1.3
71.04983	1.0
71.08620	2.5
79.05483	4.6
81.07063	13.1
83.01347	1.5
83.04970	1.3
83.08616	5.3
85.02901	1.8
91.05470	3.2
93.07039	6.3
95.08616	17.9
97.02938	1.7
97.10178	2.7
105.07021	3.5
107.08586	3.9
109.10162	5.4
111.04472	2.5
111.11754	1.9
121.06524	2.8
121.10133	2.6
123.08086	9.1
123.11716	3.6
127.16840	1.1
131.08582	2.4
133.10173	1.7
135.08043	6.0
135.11696	2.7
137.05984	1.3
140.11102	1.1
143.08575	1.1
145.10136	2.6
147.11636	1.3
149.09628	3.3
149.13248	1.2
151.07556	100.0
152.07835	1.6
159.08020	2.4
159.11745	2.1
163.07527	1.3
163.11153	2.8
165.09183	6.5
173.09645	2.8
175.07536	3.5
176.08385	2.7
177.09116	27.2
180.03621	1.2
188.08336	2.0
189.09117	5.9
189.12735	1.9
190.09879	1.3
191.10695	34.7
203.10684	8.5
205.12239	12.2
217.12273	4.5
219.13887	1.1
231.13823	1.4
245.15445	1.6
275.27478	1.5
344.96530	1.1
385.31247	7.0
413.22192	1.7
413.34058	12.2
414.34381	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79909	2.9
53.03948	16.3
55.01860	8.4
55.05518	21.5
57.03439	35.3
57.07081	4.2
60.02753	2.9
64.57623	3.2
65.03947	3.1
67.05509	50.0
69.03437	53.7
69.07075	26.5
69.98971	7.5
69.99366	6.3
70.06592	6.2
71.01360	3.3
71.04993	13.5
73.02901	5.9
79.05500	37.3
79.74043	3.1
81.03418	76.6
81.07062	86.7
83.04990	34.4
83.08626	15.4
84.58828	3.2
85.02915	22.0
85.06536	5.6
87.04440	4.1
87.12999	3.0
87.60402	2.8
88.84632	3.0
91.05486	33.7
93.07049	56.3
95.04969	12.9
95.08619	28.9
97.02893	37.0
97.06535	11.4
97.10176	6.5
99.04452	16.3
99.08099	3.8
103.03938	3.7
105.07048	27.3
107.04959	7.5
107.08591	33.2
109.02896	17.7
109.06509	4.4
109.10168	13.5
111.04439	10.2
111.08065	6.6
112.35799	3.1
117.07013	17.9
119.08602	13.3
121.06476	5.4
121.10181	21.9
123.04445	6.2
123.08028	6.6
123.11726	6.9
127.03934	20.8
129.05479	11.4
129.06996	4.6
129.66690	3.0
131.08591	13.9
133.06418	3.9
133.10144	14.0
135.08093	7.8
135.11703	10.4
137.05984	11.4
143.08417	3.5
145.10164	6.5
147.11696	14.4
149.06004	4.3
149.09700	5.9
149.13264	26.3
151.07570	22.0
151.47624	3.6
155.08559	5.6
157.10123	4.3
159.11702	18.0
161.13306	3.2
163.11247	6.4
165.12793	4.4
171.11703	3.3
175.11316	3.5
177.09021	5.5
177.12743	14.5
191.10709	8.5
195.13843	25.5
201.07515	3.8
213.14832	4.9
219.13812	3.7
269.17438	17.1
275.16354	7.8
291.56088	3.6
317.06381	3.5
336.91101	3.6
339.18143	5.1
395.20502	3.9
413.21729	100.0
413.28589	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	413.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37590	2.8
53.03950	14.4
53.08171	2.5
55.01878	6.8
55.05515	17.6
55.53839	2.5
57.03447	27.7
67.05507	52.5
69.03429	55.6
69.07071	15.5
71.04997	12.0
71.51420	4.2
78.07763	2.8
79.05494	27.5
81.03424	80.9
81.07060	75.4
83.04981	25.2
83.08636	13.3
85.02901	22.9
85.06531	4.2
91.05494	31.8
93.07053	46.7
95.04948	3.7
95.08605	19.3
97.02905	29.4
97.06544	8.7
97.40807	3.1
99.04462	12.0
105.07032	16.7
106.63973	2.7
107.04968	3.7
107.08601	25.4
109.02890	19.1
109.06548	4.9
109.10178	5.0
111.04481	7.4
111.08099	3.9
117.07018	14.4
119.08582	10.3
121.06495	3.1
121.10185	13.8
123.11758	4.7
127.03922	20.3
127.22898	2.6
129.05482	7.9
129.07024	3.9
131.08577	12.5
133.10147	14.5
135.08023	3.4
135.11710	10.4
136.08034	2.7
147.11676	9.9
149.13264	29.3
149.14284	4.3
157.10199	3.7
159.11714	18.6
165.12733	4.3
177.12752	14.6
183.06535	3.4
195.13815	33.3
213.15053	5.1
269.17429	15.2
339.18011	14.1
395.20599	6.8
412.44650	2.9
413.21695	100.0
413.28580	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	18.8
55.01888	3.3
55.05516	27.3
57.03191	3.2
57.03440	37.2
57.07067	15.8
60.81729	2.6
67.05183	3.3
67.05509	52.3
68.92499	2.6
69.03432	58.4
69.07066	34.0
69.92149	2.4
69.92439	14.2
71.04996	12.6
71.08625	7.4
79.05498	32.1
81.02934	3.2
81.03421	64.3
81.07059	76.4
83.04988	22.1
83.08614	27.9
85.02912	24.4
85.06543	5.7
87.04472	3.5
91.05487	27.4
93.07047	46.5
95.04958	9.2
95.08605	28.3
97.02892	34.3
97.06543	13.3
97.10178	7.2
99.04469	16.7
99.08120	4.6
105.07025	11.0
107.04923	5.4
107.08614	21.5
109.02898	13.2
109.06512	4.6
109.10175	10.1
111.04436	9.7
111.08059	6.0
111.11734	3.1
117.06980	10.9
119.08581	7.7
121.06470	3.9
121.10139	17.4
123.08095	3.7
123.11678	3.3
127.03916	23.0
129.05495	8.2
129.07007	3.1
131.08566	8.3
133.10144	15.3
135.07976	3.0
135.11703	13.8
145.06499	3.2
145.10091	3.3
147.11700	7.8
149.09636	2.8
149.13284	29.6
159.11678	16.6
163.70828	2.6
177.12741	12.2
195.13789	33.3
213.14877	7.7
219.13922	3.5
233.59296	3.3
269.17447	17.6
303.30551	4.7
321.31583	18.2
339.18060	6.8
395.20660	6.4
395.35178	8.7
413.21710	100.0
413.36447	11.6
414.21768	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	413.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	20.4
55.01883	8.7
55.05517	22.0
57.03451	32.4
57.07108	3.6
62.19910	4.0
62.91135	4.3
67.05511	65.8
69.03436	58.6
69.07082	26.5
70.06596	9.1
71.04990	13.5
71.25304	3.7
73.02934	7.1
79.05502	51.5
81.03429	75.7
81.07063	99.0
83.04993	30.7
83.08623	16.9
85.02916	27.2
85.06572	5.8
91.05499	41.3
93.07059	62.6
95.04976	16.5
95.08614	40.3
97.02908	41.0
97.06529	12.6
97.10187	6.4
99.04465	14.1
103.03952	5.5
103.98745	4.0
105.07048	24.4
107.04971	9.2
107.08624	29.6
109.02884	15.6
109.06520	8.5
109.10181	11.4
111.04446	13.5
111.08064	8.5
112.00188	4.0
117.07024	20.2
119.08588	17.1
121.06519	9.7
121.10187	29.7
123.04446	4.7
123.08099	9.3
123.11696	10.4
127.03909	19.5
129.05504	10.8
131.08591	18.8
133.06503	5.0
133.10161	16.6
135.08058	9.3
135.11711	16.4
141.07051	4.0
143.08566	7.0
145.05069	4.3
145.10068	6.0
147.08070	4.6
147.11725	11.4
149.05902	6.1
149.09660	11.7
149.13310	30.4
151.07564	100.0
159.11662	25.0
163.11208	6.5
165.09135	5.9
165.12822	8.6
171.11670	9.2
173.09811	5.4
177.09149	29.8
177.12761	15.9
187.11140	4.2
189.09123	8.0
191.10681	29.9
195.12288	4.5
195.13779	27.6
205.12296	17.1
213.14996	5.1
231.13795	4.9
249.14699	4.6
269.17639	19.5
274.59677	3.8
281.84500	3.8
285.14941	4.0
339.18109	10.8
361.47192	4.2
395.20673	8.3
413.21826	94.8
413.33960	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	413.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79909	2.9
53.03948	16.3
55.01860	8.4
55.05518	21.5
57.03439	35.3
57.07081	4.2
60.02753	2.9
64.57623	3.2
65.03947	3.1
67.05509	50.0
69.03437	53.7
69.07075	26.5
69.98971	7.5
69.99366	6.3
70.06592	6.2
71.01360	3.3
71.04993	13.5
73.02901	5.9
79.05500	37.3
79.74043	3.1
81.03418	76.6
81.07062	86.7
83.04990	34.4
83.08626	15.4
84.58828	3.2
85.02915	22.0
85.06536	5.6
87.04440	4.1
87.12999	3.0
87.60402	2.8
88.84632	3.0
91.05486	33.7
93.07049	56.3
95.04969	12.9
95.08619	28.9
97.02893	37.0
97.06535	11.4
97.10176	6.5
99.04452	16.3
99.08099	3.8
103.03938	3.7
105.07048	27.3
107.04959	7.5
107.08591	33.2
109.02896	17.7
109.06509	4.4
109.10168	13.5
111.04439	10.2
111.08065	6.6
112.35799	3.1
117.07013	17.9
119.08602	13.3
121.06476	5.4
121.10181	21.9
123.04445	6.2
123.08028	6.6
123.11726	6.9
127.03934	20.8
129.05479	11.4
129.06996	4.6
129.66690	3.0
131.08591	13.9
133.06418	3.9
133.10144	14.0
135.08093	7.8
135.11703	10.4
137.05984	11.4
143.08417	3.5
145.10164	6.5
147.11696	14.4
149.06004	4.3
149.09700	5.9
149.13264	26.3
151.07570	22.0
151.47624	3.6
155.08559	5.6
157.10123	4.3
159.11702	18.0
161.13306	3.2
163.11247	6.4
165.12793	4.4
171.11703	3.3
175.11316	3.5
177.09021	5.5
177.12743	14.5
191.10709	8.5
195.13843	25.5
201.07515	3.8
213.14832	4.9
219.13812	3.7
269.17438	17.1
275.16354	7.8
291.56088	3.6
317.06381	3.5
336.91101	3.6
339.18143	5.1
395.20502	3.9
413.21729	100.0
413.28589	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	413.1418
Annotation	t(6)a
Peak:m/z	Relative Intensity
51.50805	0.5
56.05042	0.7
66.17450	0.4
68.05035	0.7
68.52026	0.5
69.03429	0.5
70.06575	0.6
70.59798	0.7
70.60136	0.7
72.08154	1.1
74.06065	2.4
97.20871	0.4
102.05544	1.4
110.06078	1.0
114.05537	3.9
115.05876	1.4
119.03550	4.2
120.06584	8.3
127.06144	0.5
128.07083	1.4
129.07387	0.4
133.02797	0.7
136.06192	100.0
137.04576	1.9
142.08682	1.4
152.24507	0.4
153.01854	0.5
154.08606	0.6
155.11009	0.4
162.04123	61.2
163.04404	0.6
174.07603	3.0
175.07961	2.5
207.06526	0.7
251.09261	0.5
251.13838	0.8
268.10397	1.4
281.09946	51.2
413.14084	3.8
413.19937	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1784
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
55.01873	1.2
55.05521	4.6
57.03418	1.0
57.07069	0.8
67.05514	3.9
69.03443	1.8
69.07069	4.3
70.06572	1.3
71.05005	1.0
71.51548	1.1
71.51938	0.9
79.05486	3.0
81.03401	1.0
81.07061	10.2
83.04973	0.8
83.08601	1.0
85.06522	1.8
89.65763	0.8
91.05476	2.4
92.55486	1.0
93.07039	3.7
95.04982	1.7
95.08611	4.9
97.02895	1.0
97.06534	1.4
97.10178	3.9
105.07004	2.8
107.08588	2.0
109.06516	1.8
109.10167	2.7
119.08588	1.8
121.06519	0.8
121.10154	2.2
123.08074	0.9
123.11685	2.4
131.08566	1.0
133.10106	2.0
135.11658	1.5
137.05969	2.2
139.11212	1.7
139.65948	0.8
143.08623	1.0
145.10045	2.0
147.11691	1.8
151.07452	1.3
157.12228	1.1
159.07996	0.8
159.11696	1.2
173.09630	0.9
185.04181	7.6
191.10719	1.1
205.12212	1.2
251.12566	100.0
252.12866	3.0
269.12262	1.7
287.13297	1.0
309.17010	0.8
413.17715	55.0
414.18134	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07925	0.3
53.00324	0.6
53.03938	0.4
65.03945	0.5
68.99795	1.1
69.03415	0.3
70.06590	0.6
70.76539	0.7
71.80145	0.2
76.46156	0.3
78.03461	2.4
79.05475	0.3
80.05016	3.8
86.09698	0.4
93.03348	0.3
96.04485	2.0
106.02911	3.2
111.00841	1.3
114.51407	0.3
121.02883	1.0
123.04430	0.6
124.03958	100.0
125.04261	1.4
127.03882	0.4
128.07065	0.4
133.02856	0.4
139.03906	36.6
146.05984	0.3
149.05971	0.4
151.03911	2.6
161.05971	0.4
163.03903	5.7
168.61691	0.3
169.95479	0.3
179.03432	0.3
179.06998	1.3
197.05965	0.3
205.04999	2.2
244.05983	0.3
248.52405	0.3
274.07062	0.4
289.07089	9.5
412.10205	6.5
412.18863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77689	0.5
53.03946	0.5
67.05493	2.1
68.05031	21.4
69.03430	2.7
70.06588	0.7
72.08167	1.1
76.63152	0.5
79.05504	1.0
81.03410	0.8
81.07049	3.7
82.06590	3.0
84.08133	0.6
85.02914	0.9
91.05473	1.5
93.07052	1.7
95.01350	1.4
95.04966	4.4
96.08131	0.9
105.07024	0.7
109.06531	5.2
110.06090	0.9
114.05535	100.0
114.09167	5.0
115.05881	0.8
119.04947	0.7
121.06486	3.2
121.25082	0.5
123.08136	0.8
125.05975	0.6
128.07086	21.3
136.07510	0.6
137.05981	6.0
139.03929	0.7
139.07539	1.2
142.10968	0.6
147.04321	1.0
147.11737	0.7
148.23978	0.6
149.05978	0.6
164.07138	0.7
165.05478	7.0
174.07632	58.2
174.11197	7.9
175.07727	0.5
175.11209	1.2
177.12778	0.8
178.05051	1.4
191.03488	1.0
206.04639	0.9
218.69144	0.5
219.02907	0.9
221.11830	1.3
234.14911	0.6
247.02451	2.7
350.19598	1.4
363.17877	0.5
394.18655	1.6
412.19296	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	412.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77689	0.5
53.03946	0.5
67.05493	2.1
68.05031	21.4
69.03430	2.7
70.06588	0.7
72.08167	1.1
76.63152	0.5
79.05504	1.0
81.03410	0.8
81.07049	3.7
82.06590	3.0
84.08133	0.6
85.02914	0.9
91.05473	1.5
93.07052	1.7
95.01350	1.4
95.04966	4.4
96.08131	0.9
105.07024	0.7
109.06531	5.2
110.06090	0.9
114.05535	100.0
114.09167	5.0
115.05881	0.8
119.04947	0.7
121.06486	3.2
121.25082	0.5
123.08136	0.8
125.05975	0.6
128.07086	21.3
136.07510	0.6
137.05981	6.0
139.03929	0.7
139.07539	1.2
142.10968	0.6
147.04321	1.0
147.11737	0.7
148.23978	0.6
149.05978	0.6
164.07138	0.7
165.05478	7.0
174.07632	58.2
174.11197	7.9
175.07727	0.5
175.11209	1.2
177.12778	0.8
178.05051	1.4
191.03488	1.0
206.04639	0.9
218.69144	0.5
219.02907	0.9
221.11830	1.3
234.14911	0.6
247.02451	2.7
350.19598	1.4
363.17877	0.5
394.18655	1.6
412.19296	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	411.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06584	0.8
71.51149	0.3
79.05488	0.3
81.07082	0.4
83.04487	0.3
93.07054	0.4
95.04955	0.3
95.08605	0.4
105.07059	0.6
107.08598	0.7
124.03996	0.4
133.10121	0.5
136.06151	0.4
139.03897	0.8
162.04135	1.3
281.15030	0.3
292.14050	0.8
411.19913	100.0
412.20209	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26247	0.3
55.01849	0.4
55.05504	0.7
60.93653	0.3
69.03429	0.5
69.07062	0.5
69.90854	0.7
69.91245	0.9
81.07033	0.9
83.04990	1.7
83.08597	0.4
85.02911	0.9
91.05489	0.6
93.07053	0.7
95.08607	0.5
97.10185	0.6
105.07022	0.5
107.08575	0.5
109.10156	0.7
112.69734	0.3
121.02872	6.7
121.06516	0.8
121.10114	0.4
122.03205	2.3
123.11700	0.4
125.09694	0.6
125.26009	0.3
133.10153	0.4
137.06000	0.5
149.13300	0.4
151.11136	0.5
167.14317	2.4
181.07468	0.3
184.24463	0.3
189.09114	0.3
203.05270	1.0
209.15399	1.7
231.11299	2.3
231.13599	1.6
249.12289	2.8
249.14694	1.8
273.03964	0.6
274.04285	1.0
411.19910	100.0
412.20132	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	411.1992
Annotation	1-Acetyltagitinin A
Peak:m/z	Relative Intensity
52.41837	0.4
53.03944	0.6
55.05503	1.1
57.03439	0.6
57.17786	0.4
59.04996	0.5
67.05502	1.0
67.37093	0.4
69.03422	0.9
69.07065	0.7
70.06590	2.1
71.04998	1.2
71.51731	0.9
72.08152	1.0
77.28178	0.4
79.05492	1.2
81.07066	2.3
84.08154	0.8
85.02925	0.5
86.09719	0.6
91.05490	0.8
93.07028	1.0
95.08592	1.8
105.07034	1.3
107.08588	1.2
109.10126	0.6
119.03539	1.3
119.08515	0.5
120.04461	2.7
120.06492	0.4
120.08105	0.6
121.04789	1.8
121.06488	0.7
121.10165	0.7
122.05028	0.6
123.08070	0.6
123.11720	0.5
124.07523	0.6
127.03924	0.6
131.08557	0.9
133.10150	0.8
135.04402	0.6
135.11745	0.6
135.13326	0.5
136.06201	5.8
139.03891	1.4
143.03360	0.6
145.10110	1.1
145.59863	0.4
147.11716	0.5
150.07680	0.5
153.01752	0.7
162.04118	13.4
162.05429	0.9
203.05261	1.1
206.11781	1.5
231.06549	0.5
231.13773	0.6
234.13580	0.7
249.04425	0.5
249.11171	0.9
249.14726	1.3
250.14665	0.6
266.16144	1.6
292.14044	10.7
338.12140	0.5
359.49966	0.4
396.83325	0.5
411.19879	100.0
412.20154	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	410.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	100.0
59.05006	17.7
69.07059	2.9
71.08635	98.2
71.51898	1.8
83.08625	2.1
85.10190	93.7
87.04469	2.7
89.06039	60.1
91.05463	2.9
99.11728	10.9
103.07591	4.6
105.06996	2.6
107.07052	3.0
107.08619	2.1
119.08690	2.1
130.83408	1.8
133.08606	22.8
133.10179	2.3
135.53676	1.7
141.16377	10.5
151.09618	2.4
177.11224	25.7
184.97350	2.0
195.12280	25.9
199.20587	10.2
235.15445	3.0
239.14937	10.4
253.16595	2.8
381.27231	1.9
393.32343	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	411.1991
Annotation	diflorasone
Peak:m/z	Relative Intensity
50.97413	0.5
55.05511	1.0
55.18494	0.6
67.05499	1.2
69.03432	1.4
69.07064	0.6
73.86614	0.7
79.05501	0.8
81.03360	0.7
83.04988	0.7
83.36077	0.6
85.02931	1.3
91.05482	1.2
93.07037	1.8
95.08591	1.9
97.06524	0.7
100.95092	0.6
105.07030	1.3
107.08562	1.6
109.06489	1.1
109.10120	0.7
111.04507	1.1
119.08561	1.3
121.02874	33.9
121.06523	3.8
121.10146	1.7
122.03202	16.0
122.06894	0.8
123.08051	1.3
128.78822	0.8
135.11748	0.7
137.05956	1.0
145.10181	0.9
150.07793	0.6
151.56528	0.6
153.01691	0.8
161.13266	2.4
179.14281	4.0
185.10831	0.8
201.12476	1.5
203.05283	12.8
213.10158	0.7
223.81450	0.6
227.53339	0.7
231.11345	4.0
249.12302	3.1
249.14688	1.1
267.82217	0.7
273.03946	2.4
274.04266	6.5
275.52850	0.6
381.18857	34.5
382.19235	0.8
411.19910	100.0
412.20474	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	410.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63977	0.2
58.72179	0.2
65.03939	1.5
69.39216	0.3
69.39623	1.1
91.05505	0.3
93.03426	0.2
93.07046	0.6
94.97112	0.2
101.58872	0.2
103.05476	0.3
111.04451	1.0
119.13374	0.2
120.04500	0.5
121.02877	100.0
121.06502	8.9
122.03181	1.2
145.12225	0.2
153.01840	0.8
198.98741	0.2
203.05255	0.2
241.08655	0.4
244.27495	0.2
263.58707	0.2
273.03955	18.8
274.04349	0.4
335.37585	0.2
348.19897	0.4
348.70316	0.2
377.63306	0.2
381.19016	0.2
393.09729	0.7
410.12363	0.9
410.18408	0.2
411.19894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75745	0.3
54.41363	0.3
55.01592	0.3
55.01862	0.7
55.05521	0.3
57.86344	0.2
59.66784	0.3
65.03925	0.5
67.05497	0.9
68.99798	1.6
69.03436	1.4
69.07067	0.3
69.48938	0.7
69.49355	1.1
69.98225	0.3
70.06564	0.3
79.59871	0.2
81.03410	0.6
81.07046	0.7
83.04987	1.1
88.83208	0.3
91.05462	0.5
93.03436	0.5
93.07034	0.3
95.04978	1.2
97.02887	0.5
98.21491	0.5
107.04945	0.3
109.02883	0.7
109.06532	0.7
111.04440	1.9
112.87354	0.2
117.96796	0.3
119.04948	0.5
120.08092	0.3
121.02859	1.1
121.06493	1.1
122.06026	0.5
123.04438	3.7
127.03902	0.4
128.06145	0.3
137.05956	2.8
139.03905	32.5
140.04254	0.4
140.07054	0.6
141.05472	0.5
147.04420	0.6
147.09143	0.7
151.03912	2.5
153.05489	3.3
153.06995	1.1
154.04997	1.2
155.05281	0.9
157.06517	0.3
160.07585	0.3
163.03922	10.2
165.05499	6.0
165.06889	0.6
167.04964	0.4
167.07065	2.6
168.08070	0.8
169.06471	0.8
169.08882	1.2
170.06090	0.4
173.06021	0.8
177.05440	0.5
178.04997	0.6
179.05350	0.8
180.08118	0.8
181.06491	3.2
182.09601	0.5
183.04424	0.8
183.06781	0.5
184.07614	1.2
185.05997	0.6
186.09058	0.5
187.07578	0.3
188.10748	0.6
189.05479	0.5
189.43187	0.3
191.08258	0.5
192.08109	0.7
193.04977	0.3
196.07565	2.2
197.06000	2.1
197.08371	1.1
198.09126	1.6
199.03885	0.7
199.06155	0.6
199.07767	0.5
200.07106	0.8
201.05484	2.5
202.08658	0.9
203.07042	0.4
204.06577	1.2
206.04460	0.7
206.06131	0.5
207.04819	0.9
207.06749	0.3
208.07596	3.3
209.05997	1.6
210.09113	2.3
211.03917	0.5
212.07126	2.3
213.05612	1.4
213.07581	0.4
214.08629	3.2
215.07072	1.1
215.09033	0.3
216.06519	1.0
217.05052	0.7
217.07372	3.4
218.08171	0.4
218.27039	0.3
219.06537	0.4
220.07671	0.6
221.06010	0.7
223.06313	0.5
224.04912	0.3
224.07074	6.7
225.05542	1.8
225.07823	14.4
226.08607	6.9
227.07059	1.8
228.06540	0.8
228.10059	0.4
229.05008	2.7
229.07385	0.9
230.08124	3.5
230.11789	1.1
231.06532	1.1
236.06963	0.6
237.05496	2.2
237.07892	0.9
238.08659	8.5
239.07280	0.6
239.09367	0.8
240.06564	0.9
241.05064	0.5
241.07285	1.8
242.05678	0.7
242.08124	9.8
243.06544	3.8
243.08952	3.9
244.05943	0.3
244.09674	2.5
245.06638	0.5
246.07635	1.9
248.12950	0.5
251.07002	0.4
252.06502	2.1
253.07318	5.1
254.08130	10.8
255.06526	4.6
255.08859	0.6
256.05954	0.7
256.09644	3.0
258.07523	1.3
260.09113	0.4
266.08118	1.5
267.06485	0.7
268.09674	0.5
269.06830	1.5
270.07617	20.7
271.05563	0.6
271.08383	7.6
272.09186	12.6
273.09708	0.4
280.09790	0.5
281.15106	0.3
282.07593	2.9
284.09134	6.7
305.08102	0.5
325.14017	0.6
329.08044	0.7
346.10745	1.4
347.09238	0.6
364.11777	5.3
365.10175	0.5
368.11780	0.4
375.08545	1.1
381.09415	0.5
381.12204	0.5
382.12823	2.1
383.11160	0.4
392.11246	3.8
393.09692	6.4
393.21497	0.3
410.12357	100.0
411.12598	4.6
411.19980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.383
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03920	1.5
53.67389	1.5
55.05508	8.7
55.98290	1.4
57.07075	8.4
67.05501	19.2
69.07069	17.0
69.55448	1.3
70.64361	1.6
70.64687	2.9
71.08637	2.1
79.05492	9.0
81.07060	66.9
83.08625	5.7
89.41532	1.2
91.05490	6.0
93.07048	15.9
95.08612	100.0
97.10193	3.4
105.07044	11.0
105.58232	1.4
107.08597	20.3
109.10160	30.3
117.06992	1.9
119.08577	10.3
121.10158	18.0
123.11720	20.7
131.08583	3.9
133.10112	9.2
135.11703	16.9
137.13268	50.7
141.05496	1.3
144.09564	1.4
145.10121	2.9
147.11674	9.7
149.13251	11.2
151.14838	4.2
159.11662	4.8
161.13243	6.0
163.14850	7.3
173.13284	2.8
175.14818	6.1
176.22952	1.3
177.16386	3.4
187.14842	4.1
189.16443	3.9
191.17975	4.6
201.16502	2.8
203.10657	3.8
203.17950	5.0
205.19525	1.8
215.17966	5.1
217.19492	3.6
227.37421	1.4
229.19585	3.9
231.21085	2.5
245.22702	2.3
249.75830	1.3
257.22659	6.1
259.24252	5.1
271.24188	8.1
285.25797	2.2
353.27225	1.7
376.28925	1.4
387.00638	1.3
409.33514	1.7
409.38422	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	409.3833
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
51.93879	3.1
53.26335	3.1
55.05518	17.3
57.07072	13.6
62.92680	3.2
67.05511	29.8
69.07074	61.3
69.15953	39.5
71.08629	5.9
79.05498	12.2
81.07063	83.1
83.08620	26.2
91.05466	10.7
93.07056	29.3
95.08617	70.3
97.10161	7.0
105.07058	20.9
107.08615	43.0
109.10175	49.5
111.11721	6.7
117.06984	4.5
119.08604	28.9
121.10159	42.1
123.11736	22.7
125.13242	3.8
131.08601	6.0
133.10161	24.4
135.11687	20.1
137.13272	20.0
145.10149	14.1
147.11697	22.8
149.13292	22.2
151.14809	5.4
157.10141	5.9
159.11748	20.9
160.39484	4.2
161.13266	17.5
163.14838	13.7
171.11774	4.0
173.13266	16.2
175.14838	11.8
177.16371	4.9
187.14845	12.4
189.16383	10.1
191.17947	8.3
201.16396	12.0
203.17973	12.5
213.16428	6.9
215.17903	9.8
229.19618	8.0
231.21089	10.8
243.20935	5.3
257.22632	7.0
259.24277	5.8
271.24323	5.3
285.25928	6.6
299.27438	4.6
318.25604	3.9
325.28796	4.6
327.30621	5.7
367.33566	5.7
372.30563	4.3
409.38431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.0
55.01875	3.1
55.05517	43.2
57.03434	5.0
57.07078	31.2
59.04993	6.7
65.03915	3.3
67.05508	67.0
68.33050	2.6
69.03422	8.3
69.07071	47.2
71.05005	3.3
71.08639	19.0
75.20262	2.4
79.05496	38.9
81.03431	2.8
81.07059	75.1
83.04996	7.8
83.08623	32.1
83.10174	2.6
85.06527	3.9
85.10190	9.3
91.05487	36.4
93.07051	64.0
95.04980	50.7
95.08614	71.6
97.06542	17.6
97.10170	18.8
98.20766	8.5
102.83995	2.4
105.07037	89.9
107.08603	39.6
109.06512	11.9
109.10164	38.7
111.08080	6.9
111.11735	4.7
117.07022	10.3
119.08589	57.4
121.05762	2.3
121.06504	15.4
121.10156	31.1
123.08083	23.9
123.11719	9.7
125.09610	5.7
128.06252	4.8
129.07018	8.3
130.07782	4.0
131.08562	23.6
133.06509	6.5
133.10136	18.0
135.08052	10.8
135.11697	20.8
137.09630	7.5
137.13284	3.7
139.11192	5.7
141.06987	5.4
142.07770	10.0
143.08585	16.7
145.07693	2.3
145.10133	32.7
147.08051	17.1
147.11691	34.4
149.09604	7.7
149.13271	10.4
151.07579	20.2
153.06985	3.0
153.12804	2.8
155.08566	8.7
156.09308	4.9
157.10146	22.4
159.08055	6.6
159.11717	16.0
161.09648	7.4
161.13293	8.0
163.11096	4.0
163.14824	3.6
165.09111	37.0
167.08517	2.9
168.09308	4.6
169.10132	11.3
171.11699	10.0
173.09659	6.1
173.13239	6.1
175.11221	19.2
175.14734	3.4
177.09105	3.6
177.16435	4.2
181.10117	7.3
181.12177	3.2
183.11729	12.6
185.09589	2.6
185.13304	6.8
187.11145	5.1
187.14871	3.2
189.12766	8.3
189.16438	2.6
191.14331	3.0
193.10129	4.1
195.11745	6.8
196.12408	3.5
197.13345	3.7
198.14182	2.2
199.11171	3.9
201.12805	8.6
203.14374	12.8
206.10817	2.5
207.11937	3.9
207.13869	9.5
209.13313	5.8
209.15379	5.1
211.14816	8.6
215.14394	3.1
221.15370	58.2
225.16306	2.6
229.15895	7.0
229.22626	2.5
234.16095	7.9
256.14804	2.6
287.20013	11.0
300.20795	5.8
307.29953	4.1
317.28180	4.3
329.21158	5.8
335.29453	12.2
371.31577	9.4
391.26273	7.0
409.27283	59.6
409.33121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67607	2.0
53.03949	3.6
55.05508	16.8
57.07068	11.6
59.05003	3.5
65.03931	2.9
67.05512	29.4
69.03411	9.2
69.07063	6.8
69.81176	3.9
69.81580	8.7
71.04992	3.0
71.08624	4.3
79.05501	18.9
81.03445	3.1
81.07056	32.1
83.04967	4.4
83.08630	3.7
85.06548	4.5
85.10163	4.0
91.05482	36.5
93.07055	38.7
95.04981	49.2
95.08618	27.9
97.06537	5.6
103.05473	2.9
105.07038	100.0
107.08620	24.0
109.06525	15.7
109.10188	11.6
115.05453	4.0
117.07012	14.5
117.48138	2.3
119.08593	67.3
121.06532	14.2
121.10136	15.1
123.08063	18.1
128.06195	4.0
129.07031	4.7
130.07764	4.5
131.08569	20.2
133.06503	5.6
133.10130	17.7
135.08070	12.6
135.11682	6.1
137.09619	7.6
142.07777	7.7
143.08580	13.8
145.06430	3.6
145.10123	33.3
147.08047	16.5
147.11693	42.2
149.09628	13.5
149.13239	2.3
151.07574	16.6
155.08597	7.8
156.09305	6.3
157.10135	21.8
159.08130	6.2
159.11693	13.9
161.09651	4.6
161.13257	4.4
163.11180	6.5
165.09129	31.6
168.09204	3.0
169.10164	9.4
171.11705	6.5
173.09647	4.5
173.13286	8.5
175.11191	32.1
177.09047	4.6
181.10181	3.8
183.11726	10.5
185.13281	5.3
187.11171	4.4
187.14854	2.6
189.12779	7.9
195.11777	4.7
196.12541	2.5
199.11246	3.7
199.14902	3.8
201.12766	10.3
201.16432	2.9
203.14316	13.8
207.13873	8.2
209.13391	2.8
209.15355	5.5
211.14799	5.5
213.12744	2.6
219.13843	4.5
221.15370	63.6
223.14925	3.1
229.15982	6.3
233.15422	3.7
234.16130	17.4
286.19370	2.5
287.20132	4.9
300.20682	5.6
329.21161	6.5
353.44968	2.1
367.70087	2.5
391.26602	2.7
409.27286	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	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03952	2.9
55.01866	3.8
55.05513	23.4
57.07074	13.0
59.05003	5.4
65.03945	2.5
67.05510	33.6
69.03436	3.5
69.07065	10.9
70.46445	7.4
71.08624	4.8
79.05507	18.6
81.07061	37.0
83.08620	4.8
85.10181	2.7
89.03098	2.6
89.06023	9.4
91.05490	34.6
91.67396	2.4
93.07050	37.6
95.04974	45.7
95.08625	27.2
97.06551	7.8
103.05506	5.4
105.07040	100.0
107.08590	25.8
109.06531	11.4
109.10169	10.0
115.05455	3.5
117.07030	15.7
119.08593	61.3
121.06515	17.0
121.10171	15.5
123.08084	18.1
123.11752	4.4
128.06242	5.7
129.06995	6.0
130.07800	5.5
131.08578	19.8
133.10150	16.3
135.08054	12.1
135.11734	7.7
137.09615	9.4
141.06947	4.2
142.07809	10.8
143.08586	12.2
144.09323	3.3
145.10138	32.0
147.08073	15.4
147.11702	35.2
149.09654	8.7
151.07538	19.2
153.09068	3.0
155.08539	7.6
157.10165	16.8
159.08034	4.2
159.11742	12.8
160.33049	2.7
161.13280	3.4
163.07664	2.6
163.11131	5.4
165.09151	22.6
168.09314	4.4
169.10175	7.5
171.11722	9.7
173.09637	7.6
173.13263	5.9
175.11200	25.8
177.09186	5.7
181.10143	4.0
183.11711	12.8
185.13173	3.3
187.11363	3.2
187.14827	3.8
189.12762	5.4
195.11815	2.7
199.11229	4.9
201.12848	12.3
203.14323	13.2
207.13831	6.4
209.13342	3.6
209.15269	3.9
211.14771	4.7
219.13808	6.4
221.13362	3.5
221.15372	51.6
225.16263	3.2
229.15961	7.2
233.15315	3.1
234.16080	16.7
239.14497	3.2
253.15724	2.7
287.20016	11.3
300.21130	4.1
307.20560	3.2
329.21060	7.3
348.32657	2.6
391.26254	6.3
409.27261	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91493	1.5
68.05033	1.5
70.10246	5.8
70.10612	2.7
73.13085	1.5
82.02913	3.0
98.20866	1.9
108.30348	1.6
114.05546	25.5
123.37012	1.5
124.05112	2.1
137.02411	1.9
138.01820	1.5
142.05016	5.0
146.06018	2.5
149.04581	13.2
150.04288	1.5
153.01839	2.7
165.06664	1.6
166.07254	100.0
169.04930	11.3
174.07677	4.1
180.02951	2.8
184.19005	1.4
188.07114	3.9
215.38536	1.7
216.08852	2.3
244.08189	9.7
250.10345	1.5
291.74573	1.6
306.43378	1.7
342.24353	1.6
357.78412	1.8
409.14664	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	409.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70130	2.6
55.05267	3.5
55.05513	40.0
56.05839	11.7
58.99582	22.8
59.99914	3.6
60.99178	3.6
61.01142	3.1
69.28396	21.0
70.00732	2.2
70.06575	3.7
76.02220	11.5
76.03997	3.4
78.01795	5.9
79.05493	5.4
79.37029	2.5
81.07059	5.9
82.07393	3.1
83.04987	2.6
83.08623	42.8
84.04513	37.5
84.08961	21.8
85.04829	10.3
86.99061	13.7
87.99410	3.9
88.02209	5.5
99.05591	2.9
99.09973	2.8
107.08567	2.6
110.09629	2.9
116.00903	4.1
116.01686	66.4
117.02063	20.9
118.01285	5.2
122.06003	3.7
129.06544	4.7
130.04997	5.0
131.05283	3.4
133.84438	2.7
136.07635	3.7
142.03197	4.5
143.03537	2.5
144.01169	28.8
145.01511	13.6
146.00729	4.9
153.01866	5.3
154.05008	9.9
157.10435	3.5
158.08003	2.5
159.08398	31.9
160.08743	27.5
162.02211	100.0
163.02567	46.5
164.01805	7.5
171.03154	2.7
176.08890	2.9
177.11351	4.0
178.04964	3.2
187.07722	3.0
188.03749	7.8
189.04063	5.1
206.04558	5.6
245.10156	2.5
247.05711	3.1
261.10846	8.7
262.11069	37.0
263.11438	45.8
279.13715	6.6
280.14102	15.7
334.15259	12.7
409.10727	6.0
409.19034	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	409.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	39.4
56.05042	3.2
56.05849	12.3
56.23532	1.3
57.57249	1.5
57.60085	1.4
58.99591	20.5
59.99918	2.4
60.99148	2.4
61.01142	1.8
71.50582	2.2
71.52418	1.6
76.02242	10.1
76.04021	4.3
77.02572	2.2
78.01802	2.8
79.05496	2.1
81.07056	5.3
82.07410	1.8
83.06104	3.0
83.08626	43.2
84.04510	31.7
84.08950	17.3
85.01099	1.4
85.04832	8.4
86.99053	12.9
87.99387	3.7
88.02231	5.4
102.05519	1.5
102.10004	2.0
108.08986	1.6
116.01691	58.4
117.02071	19.8
118.01282	4.5
129.06587	3.4
129.07446	2.0
130.05023	6.7
131.05382	2.5
141.07375	1.6
142.03252	4.1
143.03554	3.3
144.01166	27.4
145.01582	10.7
154.04982	3.9
154.91098	1.4
156.10123	2.3
157.10651	1.9
158.07986	1.6
159.06467	1.7
159.08409	26.2
160.08740	20.7
162.02217	100.0
163.02574	44.7
164.01814	5.7
170.02727	1.8
178.04967	1.5
200.95393	1.4
209.72658	1.5
211.44444	1.5
240.19385	1.7
247.09596	2.0
261.10834	4.3
262.11053	38.4
263.11423	47.6
264.10815	2.0
279.13751	6.6
280.14035	13.8
333.15024	3.3
334.15161	23.9
409.16513	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
69.89883	1.3
69.90293	1.5
70.06604	0.7
83.04990	1.4
86.09725	0.7
93.07064	0.5
98.20830	0.7
99.45330	0.6
121.06645	0.5
121.10061	0.5
139.03894	0.9
153.01849	1.9
153.37944	0.5
161.09688	0.6
254.43228	0.7
313.58191	0.6
409.18344	100.0
410.12527	2.5
410.18665	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17873	0.4
54.97444	0.5
69.07053	0.5
70.06580	0.7
71.05029	0.6
81.07067	0.6
83.04974	1.2
84.08153	0.7
85.02898	0.7
86.09730	0.5
91.05483	0.6
95.04960	0.5
95.08584	0.9
97.02906	0.5
99.04485	0.6
105.07072	0.6
120.08070	0.5
124.07584	0.6
134.60361	0.5
139.03935	0.9
148.74490	0.6
153.01826	2.0
186.61635	0.6
191.07146	0.6
245.40050	0.6
308.56110	0.6
407.95398	0.5
409.18359	100.0
410.12320	1.8
410.18555	1.6
413.91220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
64.27246	0.4
65.03938	0.7
69.26467	1.0
69.26864	3.5
79.01875	0.5
79.05473	0.5
81.06996	0.4
83.14693	0.4
84.10246	0.4
92.05024	1.9
93.07020	0.5
95.08625	0.5
105.07030	0.5
109.10136	0.4
110.06036	0.5
120.04476	65.1
121.02876	0.6
121.04813	0.7
121.06512	1.0
122.82220	0.4
124.07612	0.4
127.99963	0.4
139.03833	0.4
145.10175	0.4
153.01860	2.3
258.92911	0.5
272.05615	4.2
409.18408	100.0
410.18683	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
55.05515	14.1
63.80595	1.2
65.03936	2.8
67.05508	3.5
69.03423	3.2
69.07052	3.4
69.40281	3.7
69.40704	5.7
70.06601	13.5
72.08138	1.3
77.23123	1.1
78.03440	4.7
79.01859	3.0
79.05465	2.0
80.05022	2.7
81.03415	5.2
83.04986	100.0
84.08153	2.0
85.02933	2.7
86.09679	1.6
90.41607	1.2
94.06567	11.3
95.04971	6.4
96.04495	1.5
97.02895	2.6
106.02923	12.1
107.01331	1.7
107.03262	4.4
107.04919	1.3
108.04500	4.3
109.02888	11.4
110.03210	4.0
110.06047	1.7
112.07616	1.9
120.08064	1.4
121.02898	1.3
121.06512	1.5
122.06037	15.9
123.04440	1.6
124.03960	23.8
125.02337	2.7
125.04317	8.3
127.03925	4.1
130.06519	1.2
136.03922	10.1
136.07567	1.7
139.03923	6.6
140.07068	15.7
141.05450	1.6
143.03407	3.6
146.05992	1.3
153.01842	61.3
153.02928	3.9
154.05002	90.4
154.08607	10.0
157.07591	1.9
163.03856	3.5
171.02888	1.6
171.27399	1.3
178.05003	50.7
181.06499	1.4
203.08261	1.4
206.04494	52.7
206.06477	2.6
210.02885	1.1
210.07613	4.0
224.05324	2.6
225.07928	1.5
229.10054	1.3
230.08231	1.8
230.11769	2.6
238.07062	21.0
239.09265	5.9
247.11601	1.6
250.07074	3.8
251.07518	4.3
254.08046	2.3
268.08163	4.6
269.08478	8.1
270.07639	3.5
272.09238	2.6
284.09338	1.8
287.05746	1.4
288.03922	1.2
293.11371	2.5
294.27484	1.1
309.06039	14.4
331.09198	4.0
345.10767	5.8
359.08643	1.9
377.09534	1.7
409.12396	4.3
409.18298	19.3
410.12415	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
55.05515	14.1
63.80595	1.2
65.03936	2.8
67.05508	3.5
69.03423	3.2
69.07052	3.4
69.40281	3.7
69.40704	5.7
70.06601	13.5
72.08138	1.3
77.23123	1.1
78.03440	4.7
79.01859	3.0
79.05465	2.0
80.05022	2.7
81.03415	5.2
83.04986	100.0
84.08153	2.0
85.02933	2.7
86.09679	1.6
90.41607	1.2
94.06567	11.3
95.04971	6.4
96.04495	1.5
97.02895	2.6
106.02923	12.1
107.01331	1.7
107.03262	4.4
107.04919	1.3
108.04500	4.3
109.02888	11.4
110.03210	4.0
110.06047	1.7
112.07616	1.9
120.08064	1.4
121.02898	1.3
121.06512	1.5
122.06037	15.9
123.04440	1.6
124.03960	23.8
125.02337	2.7
125.04317	8.3
127.03925	4.1
130.06519	1.2
136.03922	10.1
136.07567	1.7
139.03923	6.6
140.07068	15.7
141.05450	1.6
143.03407	3.6
146.05992	1.3
153.01842	61.3
153.02928	3.9
154.05002	90.4
154.08607	10.0
157.07591	1.9
163.03856	3.5
171.02888	1.6
171.27399	1.3
178.05003	50.7
181.06499	1.4
203.08261	1.4
206.04494	52.7
206.06477	2.6
210.02885	1.1
210.07613	4.0
224.05324	2.6
225.07928	1.5
229.10054	1.3
230.08231	1.8
230.11769	2.6
238.07062	21.0
239.09265	5.9
247.11601	1.6
250.07074	3.8
251.07518	4.3
254.08046	2.3
268.08163	4.6
269.08478	8.1
270.07639	3.5
272.09238	2.6
284.09338	1.8
287.05746	1.4
288.03922	1.2
293.11371	2.5
294.27484	1.1
309.06039	14.4
331.09198	4.0
345.10767	5.8
359.08643	1.9
377.09534	1.7
409.12396	4.3
409.18298	19.3
410.12415	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	9.9
69.07078	11.4
70.06591	15.1
71.05016	10.3
71.50658	8.8
79.05471	8.0
81.05177	7.5
81.07068	31.2
84.08178	10.2
85.02912	9.5
85.06587	16.0
86.09696	11.4
91.05471	13.9
92.05001	7.8
93.07063	20.2
95.08604	29.6
97.06554	11.6
99.04451	8.3
105.07039	12.3
107.08617	16.1
109.06521	9.1
109.10162	31.9
119.08594	21.8
120.04485	13.2
121.02910	19.2
121.10184	12.3
123.11728	16.9
129.10272	9.2
129.33261	7.2
133.10146	34.6
135.11713	29.9
146.06026	24.9
147.11697	12.0
149.13348	17.3
153.01729	8.3
174.05513	23.9
175.14822	53.5
178.80206	7.7
193.15987	47.2
211.16974	100.0
229.14363	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	408.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95282	1.5
55.05505	2.0
57.03440	2.6
57.07083	100.0
58.07405	2.7
59.05008	15.7
67.05499	2.6
69.07052	2.2
70.31676	5.5
71.08637	78.8
72.08954	3.0
73.02925	36.5
81.07053	3.1
82.69515	1.3
83.08630	3.1
85.10191	64.7
89.06068	8.2
95.08624	2.6
96.21243	1.4
97.10159	2.9
99.11739	11.4
103.07574	2.2
109.10162	1.9
113.00025	75.4
113.13290	4.2
114.00358	4.2
133.08594	3.0
141.16351	2.1
151.09674	2.6
151.34886	1.6
155.17915	5.7
167.54436	1.5
169.02638	48.7
169.04073	3.3
170.02953	16.4
176.35193	1.5
179.09056	1.6
199.20613	1.8
209.13957	1.7
213.22128	7.3
363.31152	2.0
415.93967	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.7
55.05509	2.8
67.05503	3.9
69.03416	3.2
69.07063	4.5
69.76260	1.9
70.06568	3.5
71.04967	2.3
71.51099	4.9
72.08153	7.1
79.05469	2.9
81.07050	3.1
83.04971	6.9
84.08132	5.5
85.02908	4.2
86.09692	5.5
91.05502	3.5
94.06554	15.6
95.04977	7.5
96.04506	2.9
100.12106	2.2
105.03381	3.3
107.04935	3.8
108.04482	4.0
110.06013	6.7
119.08559	2.5
120.08118	4.7
122.06049	32.5
123.04436	4.0
123.06803	4.2
124.03972	3.8
124.07603	6.9
127.03938	2.9
131.41757	2.3
136.03938	5.5
137.05916	3.0
139.03915	5.5
140.07056	29.9
142.08655	3.9
142.20821	2.7
145.02896	2.3
147.04382	3.2
153.01825	8.8
154.04994	72.6
154.08644	11.0
159.11334	2.4
161.07149	5.3
168.08211	2.2
172.07558	3.2
176.03407	6.5
177.04146	3.6
178.05019	34.5
184.07718	2.5
187.05028	16.1
187.08543	2.7
190.08644	2.4
197.07156	3.0
199.08589	2.9
200.07066	3.5
201.06619	7.0
202.07285	2.9
204.02934	4.8
205.03654	5.8
205.09779	2.8
206.04488	41.8
210.07602	3.7
211.05029	6.1
211.08710	4.6
213.10283	4.2
214.08719	3.0
215.08206	17.4
217.06244	3.5
217.09683	2.6
222.03998	32.9
223.04730	5.5
224.05414	3.1
225.06517	5.3
226.07220	4.2
229.06097	8.2
233.09190	8.8
236.05550	14.5
238.07127	14.5
239.08089	17.3
241.09798	5.7
242.07916	3.3
243.07669	31.8
244.09721	8.8
245.09268	4.5
253.05898	5.5
254.06874	5.9
257.09158	15.6
259.07083	3.1
261.08652	15.3
267.07654	13.4
269.09113	8.7
271.07144	18.7
272.09204	10.5
273.08691	3.8
285.08713	58.1
286.09045	3.2
287.10226	3.0
289.08234	41.0
291.09738	3.4
295.07172	8.5
297.08621	13.8
300.08691	13.6
303.09720	13.4
307.09225	12.1
313.08188	85.4
313.11813	4.8
314.08521	3.0
315.09766	26.2
317.07513	2.4
318.09766	10.4
327.09805	5.4
331.09262	100.0
333.10809	18.3
341.07611	7.8
345.10828	43.2
349.10306	85.5
359.08694	20.6
359.12534	3.3
363.11774	13.6
367.11371	15.4
377.09595	29.7
377.13541	28.2
391.11298	35.5
409.12350	42.2
409.18201	12.7
410.12369	5.9
421.76590	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57558	0.7
53.03943	1.7
55.01867	3.2
55.05515	6.0
57.03434	2.8
61.02928	3.2
61.77232	0.8
67.05510	15.1
69.03430	6.7
69.07077	8.2
69.41314	6.0
71.04991	3.8
73.02898	0.9
79.05503	7.7
81.03416	3.2
81.07063	53.0
81.72095	0.8
83.01318	0.8
83.04987	4.2
83.08620	4.8
85.02911	18.0
85.06551	3.7
88.37403	0.9
90.29061	0.8
91.05487	12.9
93.07057	7.6
95.04957	1.7
95.08613	9.9
97.02888	5.6
97.06550	3.5
98.20756	1.4
99.04471	1.7
99.08102	2.7
105.07037	23.9
107.08595	10.1
109.02894	1.8
109.06535	4.6
113.05999	1.9
117.07036	0.9
119.08588	21.5
121.06542	1.1
121.10153	20.6
123.08051	3.1
123.11713	27.5
123.98057	0.8
125.09601	1.2
127.03954	2.5
127.07535	3.9
131.08638	1.1
133.10175	3.8
137.13255	2.9
141.09106	1.6
145.04999	3.9
145.10101	1.2
147.11696	73.3
148.12048	1.1
148.86983	1.0
157.10159	1.8
165.12767	47.9
175.11235	2.0
180.08711	3.6
183.12202	1.1
183.13817	20.1
193.12251	7.0
211.13295	9.1
229.14368	100.0
230.14763	2.2
293.13428	0.9
400.67859	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
53.42846	1.4
55.01865	3.2
55.05505	4.7
56.01714	1.4
57.03432	2.2
61.02914	2.4
61.56876	1.4
64.01105	1.4
67.05512	14.5
69.03414	4.3
69.07067	9.3
71.04984	2.0
73.02868	1.5
73.67368	1.2
79.05476	6.0
81.03426	2.9
81.06598	2.5
81.07064	49.9
83.04960	3.9
83.08604	4.7
85.02913	17.1
85.06519	3.7
91.05482	12.2
93.07049	6.7
95.08623	7.4
97.02898	7.2
97.06526	5.1
99.04467	1.9
99.08109	2.4
105.06391	2.2
105.07031	22.9
107.08602	9.6
109.06528	2.8
119.08597	19.3
121.10152	20.4
123.08065	4.2
123.10835	2.3
123.11713	26.2
127.03880	3.5
127.07539	3.9
130.57326	1.4
133.10101	3.3
142.19627	1.4
145.04985	4.2
147.11697	76.4
157.10155	2.2
160.18719	1.4
165.12766	51.6
165.14153	3.3
168.36877	1.4
175.11099	1.9
180.08644	4.6
183.13815	20.1
193.12233	5.5
211.13307	10.4
216.90633	1.4
229.14369	100.0
230.14674	2.3
273.57324	1.4
347.21265	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
55.05505	1.6
57.02610	0.8
69.03081	1.2
69.03430	15.4
70.06573	1.1
70.75764	1.9
81.03410	2.2
81.07044	0.8
83.04979	1.7
85.02914	11.3
88.59262	0.8
91.05490	1.3
93.07040	1.4
95.01341	10.8
97.02875	2.2
99.04465	1.9
99.91728	0.8
109.02904	2.0
109.06500	1.2
117.07020	1.3
118.06547	3.0
123.04465	1.7
127.03950	1.9
136.87508	0.8
137.06004	3.5
139.07545	11.6
145.06511	2.5
146.06023	6.4
147.04417	2.5
149.05998	2.6
153.01849	21.7
155.07040	0.9
161.05984	3.2
162.06775	2.8
163.06258	2.1
163.07570	3.3
164.07086	12.6
165.05525	1.0
167.07071	13.3
171.02904	2.0
173.05978	9.4
175.07574	2.3
176.07043	1.1
180.10214	1.5
187.07559	1.4
190.08623	0.9
215.10675	4.6
216.11450	1.7
217.12282	1.1
228.07050	1.3
232.13452	1.8
233.14206	1.0
276.68137	0.8
297.06104	1.4
315.07153	3.0
317.65958	0.8
408.16550	100.0
409.16840	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	408.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.8
64.30362	0.7
64.86391	0.7
69.03426	3.6
70.06593	0.9
71.50709	0.8
78.04728	1.3
81.03424	1.5
81.85083	0.8
83.05013	1.0
84.08160	0.9
85.02908	4.9
85.65808	0.7
89.98081	0.7
91.05483	1.2
93.07047	1.2
95.01313	2.0
97.02855	1.2
107.04976	1.5
109.02876	1.2
110.07152	1.3
118.06511	0.9
121.06517	2.9
123.04429	2.8
124.05238	0.8
137.06013	2.0
139.03879	0.9
139.07555	2.5
145.06451	0.9
147.04456	1.0
149.05977	1.8
151.03920	1.5
153.01834	2.6
161.05994	2.1
163.07513	1.2
164.07037	3.5
167.07051	100.0
173.06032	2.8
175.07513	0.9
178.03442	0.7
181.08604	2.5
181.41098	0.7
185.19713	0.6
193.08620	4.8
211.09641	12.4
229.10765	7.1
250.27940	0.8
364.25946	1.1
408.16531	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	407.352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37919	1.3
53.76003	1.2
55.05505	5.2
57.03447	1.5
57.07082	9.2
65.03937	4.2
67.05504	25.6
69.07072	9.5
69.33260	2.8
69.33677	8.8
71.04993	2.9
71.08628	5.7
81.07064	5.6
83.08601	6.2
85.10179	5.2
89.06023	2.9
91.05529	1.3
93.07041	4.8
95.04975	10.3
95.08612	8.1
97.10194	3.3
99.04478	9.6
105.07049	3.6
107.08617	3.2
109.10197	3.0
111.11725	2.7
113.00031	4.7
113.06005	4.5
118.77042	1.2
119.08572	2.5
123.04438	16.2
123.11748	1.5
125.06019	8.1
125.13274	1.6
133.10143	2.5
135.11809	1.6
139.07588	3.0
141.05472	100.0
147.11703	2.3
149.13316	2.3
149.94666	1.5
151.07478	1.3
152.99641	1.2
165.09100	1.7
169.02582	4.0
187.14851	1.4
270.03973	1.5
288.09467	1.6
347.33322	3.8
365.34076	2.0
389.34061	6.3
407.35187	33.5
408.35645	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.7
53.03941	1.7
55.01880	0.9
55.05504	1.5
57.03442	0.9
65.47291	0.5
69.03085	0.6
69.03432	6.8
70.06599	5.4
70.96950	1.1
73.02924	0.8
73.81115	0.5
78.03028	0.9
78.03458	12.8
80.05025	3.5
81.03423	15.6
81.07044	0.7
83.04983	9.0
83.08617	0.7
85.02908	6.5
86.09708	2.6
91.05490	1.1
93.07022	0.7
94.06609	0.5
95.04974	0.7
96.04508	4.4
97.02906	5.0
99.04459	3.0
104.36369	0.5
105.07069	0.8
106.02921	52.3
109.02888	40.6
110.03174	0.6
111.04420	1.2
117.62735	0.5
121.06552	0.8
122.06068	0.8
123.04443	0.6
124.03962	100.0
125.04321	0.5
126.03304	0.5
127.03929	6.8
137.05959	0.7
139.03868	1.7
140.07085	1.0
141.05467	12.7
153.01857	4.6
154.04974	3.8
161.06093	0.6
162.02136	0.9
165.05516	0.7
166.05072	1.1
178.05019	1.9
189.41678	0.5
196.06131	0.6
200.10751	0.7
202.04982	0.5
204.29562	0.5
206.04478	3.0
211.13379	0.6
226.07135	1.5
228.10217	2.0
232.06094	1.1
238.07201	1.1
246.11188	1.8
250.07123	26.1
251.07657	0.7
268.08173	38.8
269.08673	0.5
309.06116	1.7
382.01721	0.6
408.12741	7.6
408.17007	0.5
409.18423	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.0
57.03440	5.5
57.07083	7.1
57.88966	0.4
67.05505	2.4
69.07069	1.4
69.25774	1.8
69.26205	2.1
71.08643	4.4
81.07060	3.0
83.08613	1.9
84.82456	0.4
85.10181	1.6
93.07028	0.4
94.99003	0.4
95.08621	4.1
97.10193	1.1
107.08620	0.4
109.10168	2.0
113.00022	100.0
123.11720	0.5
139.01611	0.5
154.02644	0.5
159.97385	0.4
169.02618	92.0
221.83324	0.4
239.23712	0.5
305.56015	0.5
347.17081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	36.3
57.07074	41.2
57.58194	6.7
67.05505	44.1
69.07069	85.1
69.97933	28.6
71.08611	26.5
79.05494	30.5
81.07052	82.6
83.08630	38.9
83.35508	6.1
85.10183	18.6
85.97684	6.6
89.06007	18.2
91.05453	21.7
93.07051	35.9
95.08619	87.7
97.10154	29.7
99.04435	8.3
105.07030	39.3
107.08609	32.8
109.06505	24.1
109.10153	80.9
111.04453	9.3
111.08044	10.0
111.11706	15.7
113.00015	16.2
119.08566	30.4
121.10143	40.1
123.08059	16.8
123.11688	35.2
125.06004	53.1
131.08562	7.8
133.08578	12.9
133.10136	29.4
135.08087	9.2
135.11674	18.3
137.05969	39.0
137.09647	8.8
137.13240	16.0
138.56081	6.4
139.07535	12.4
145.10175	15.9
146.45882	6.1
147.11650	21.2
149.13229	13.5
151.07535	11.8
159.11665	21.1
161.13220	19.5
163.14774	16.5
165.09105	19.3
167.10646	10.3
169.02541	11.2
173.13255	10.6
175.14771	19.6
177.16313	12.9
179.10611	17.5
181.12209	11.6
187.14853	9.5
189.16399	14.8
191.17966	12.7
193.12250	15.1
195.90518	6.5
199.86981	6.5
201.16512	10.1
203.17923	15.9
205.19490	8.3
207.13809	12.8
213.16438	10.3
215.17851	11.0
217.19456	11.3
221.15317	11.5
235.16965	10.2
249.18448	12.7
255.21173	8.1
263.20013	14.3
277.38184	7.8
291.23050	8.2
333.27606	8.5
389.34094	58.4
407.36728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54900	1.4
56.96551	2.0
70.06593	23.0
70.40979	3.1
70.41369	2.4
71.08631	11.1
84.04486	2.4
88.11275	51.0
89.11623	2.0
94.06566	3.1
96.04485	2.0
98.06052	2.8
98.97580	4.4
100.44211	1.4
112.07610	18.5
114.05509	3.9
116.07068	5.2
122.06038	2.2
130.06554	3.7
139.03918	3.3
140.07079	39.8
153.01802	5.9
158.08139	100.0
166.82295	1.3
219.01842	1.8
407.07428	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	1.0
63.09747	0.9
67.05489	1.8
69.07063	1.7
70.06580	2.6
71.51974	0.9
72.08128	1.0
79.05483	1.8
81.07057	2.2
91.05492	2.0
91.51553	1.2
93.07029	2.5
95.04967	1.8
95.08617	1.9
96.53903	1.1
96.86160	0.9
105.04439	0.8
105.07022	1.5
107.08610	1.0
119.08583	1.3
137.57030	0.8
180.77701	0.9
190.61595	0.9
301.29230	1.8
407.24063	100.0
407.35226	7.3
408.24231	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.8
62.15249	0.6
67.05502	1.0
69.07043	0.7
70.06602	3.8
70.34209	2.5
80.03970	0.7
81.03419	0.9
81.07056	2.3
83.05035	0.7
84.08141	1.2
93.07046	1.3
95.08630	1.0
97.02938	0.9
105.07019	1.0
107.08625	0.9
119.08622	0.6
121.10178	0.7
133.10176	0.9
146.11748	0.7
233.82919	0.6
257.26678	1.2
259.08588	1.0
285.10132	1.1
301.29263	2.6
309.16681	1.1
345.31879	0.8
349.17120	0.8
367.17963	1.3
407.24075	100.0
407.35519	13.9
408.24496	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	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.8
67.05491	1.7
69.03432	1.1
69.07052	0.7
70.06577	2.3
79.05484	1.3
81.03428	0.8
81.07050	2.0
85.02928	0.8
89.56305	0.5
91.05485	1.5
93.07046	2.0
95.04943	0.9
95.08609	1.2
97.06535	0.8
105.07037	1.2
107.08587	1.9
109.10156	1.1
119.08598	0.9
121.10117	0.9
125.09660	0.9
131.08562	1.2
133.10182	0.7
135.68660	0.6
143.08592	0.6
145.10118	0.8
157.10080	0.6
159.11684	0.8
161.09599	0.8
188.99147	0.7
216.23331	0.6
319.19113	0.7
321.16928	4.2
407.24060	100.0
408.24402	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	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.7
67.05501	8.9
69.03398	4.0
69.07066	10.2
70.06593	9.3
70.84661	3.8
70.91084	3.5
71.05000	10.3
71.51251	6.6
75.21381	3.6
79.05494	9.0
81.07063	22.3
83.08606	5.1
84.08138	4.0
85.02917	13.5
85.06525	7.3
90.00012	3.7
91.05480	10.1
93.07051	31.3
95.08604	18.2
97.02897	5.1
97.06517	10.4
105.07023	14.8
107.04942	4.4
107.08583	42.0
109.10171	21.5
111.08086	5.0
113.90379	4.1
119.08570	9.5
121.02900	10.9
121.06496	9.9
121.10159	50.1
123.11668	8.2
131.08575	12.9
133.10158	17.1
135.08075	24.5
135.11708	6.2
137.09610	4.7
139.03824	6.1
145.10144	10.6
147.11703	24.0
149.13263	78.2
151.11208	9.2
151.83110	3.9
153.01762	4.1
163.14813	8.2
165.12726	10.0
167.07088	6.6
167.14238	8.4
173.13240	41.8
191.14317	95.6
209.13474	8.3
209.15372	100.0
227.16422	45.1
255.07860	3.6
259.11188	5.2
376.04120	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	406.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72000	0.4
53.03949	0.6
55.05513	26.3
56.05036	0.7
67.05511	1.2
69.87589	0.9
69.88004	2.0
74.02445	2.2
79.05490	1.4
80.05025	0.6
81.07076	1.4
82.06583	81.3
83.06936	0.8
83.08585	0.4
91.05482	1.3
93.07045	1.2
95.08604	1.0
100.07623	13.1
105.07005	1.0
107.08640	0.6
121.06467	0.6
121.10152	0.7
122.43514	0.4
128.07085	100.0
129.07460	0.8
146.08130	13.8
153.43919	0.4
186.76288	0.4
205.00980	0.4
406.29532	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	406.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07291	2.6
55.05502	2.9
57.03424	8.2
57.07080	100.0
59.05007	38.3
62.85293	2.7
67.05513	3.9
68.05833	2.5
69.07072	5.3
71.08637	99.2
71.51780	2.6
81.07044	3.6
83.08624	3.4
85.10191	81.1
87.81892	2.4
91.53614	2.5
92.77158	2.7
93.07056	2.9
97.06530	5.0
97.10195	3.4
99.11730	10.2
112.99999	3.8
115.07566	26.4
117.09123	17.0
141.16389	7.6
146.75861	2.9
199.20575	15.1
257.24756	13.2
290.28888	2.9
406.20880	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.6
57.03428	2.7
63.02728	1.3
67.05505	3.0
69.03426	4.8
69.07063	3.1
69.62688	3.0
69.63092	6.1
71.04996	3.5
77.98269	1.5
79.05504	1.6
81.07062	4.0
83.04984	2.6
85.02902	11.4
89.06021	2.7
89.51651	1.4
91.05553	1.4
93.07055	4.7
95.08622	6.6
97.02927	2.0
97.06519	1.5
105.07035	4.6
107.08599	14.2
109.10177	9.3
110.17302	1.7
111.08051	2.6
119.08582	4.4
121.06502	3.6
121.10150	72.0
123.08099	1.7
123.11700	4.8
124.03966	3.2
125.09602	2.1
127.03979	1.7
131.08572	3.2
133.10149	8.4
134.18936	1.4
135.08044	5.0
135.11690	3.3
137.09625	4.0
139.11159	4.3
145.04990	1.7
145.10120	1.8
147.11696	6.0
149.09616	2.2
149.13257	7.6
151.11171	14.8
163.14839	6.3
169.12283	2.0
173.13268	14.7
189.25157	1.8
191.14317	37.0
209.15364	20.2
227.16429	100.0
228.16878	1.9
319.77057	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.05516	6.2
56.71316	3.9
57.03431	3.6
63.72869	3.9
66.02359	3.7
67.05498	4.0
69.03417	11.3
69.07069	14.5
69.62051	27.1
70.06577	5.4
71.05003	6.1
79.05504	11.4
79.93255	4.1
81.03423	8.3
81.07056	21.7
85.02920	18.8
91.05482	17.4
93.07051	20.3
95.04971	4.7
95.08614	18.9
97.02878	7.4
98.20818	4.2
105.07032	11.2
105.36253	4.1
107.08604	34.7
108.56517	3.8
109.06532	6.0
109.10182	9.6
116.82577	3.6
119.08570	17.5
121.06549	8.7
121.10184	27.6
123.08073	5.6
124.03985	8.4
131.08554	11.3
133.10152	48.9
135.08066	26.0
135.11676	9.2
139.11211	5.4
147.11668	8.1
149.09633	6.9
149.13275	13.7
151.11195	15.4
153.01817	5.0
161.13252	12.5
163.11136	6.7
163.14821	33.0
165.12695	4.8
173.13231	33.7
179.14330	32.4
191.14308	65.8
197.15338	11.7
209.15390	71.8
227.16432	100.0
227.18518	8.1
259.11160	5.8
394.97507	3.7
422.53189	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	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97063	2.0
55.05313	1.6
55.05518	19.7
57.19807	1.6
67.05515	2.6
69.03430	3.5
70.06595	2.8
71.40572	2.2
79.05470	2.4
81.07050	5.1
82.12473	1.8
82.35665	1.9
83.04993	19.5
83.08621	11.7
85.02901	4.7
91.05473	3.2
93.07049	4.5
95.08612	3.9
97.06540	3.7
97.10147	2.9
105.07011	5.5
107.04926	2.2
107.08580	6.7
107.63152	2.2
109.06505	2.1
109.10177	9.6
111.08056	2.4
121.06461	3.1
121.10186	4.7
123.11691	2.1
125.09592	3.6
131.02267	1.8
133.10107	3.7
147.11729	3.3
151.11192	23.6
153.09012	2.4
167.14331	27.6
168.76393	2.0
173.13269	3.2
191.14310	3.3
209.15395	100.0
227.16487	3.0
244.16850	2.9
246.13226	2.8
259.11060	2.5
282.09686	1.9
310.08786	2.3
328.10184	4.1
346.11090	7.7
374.10773	4.1
406.21829	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	2.6
55.05507	3.5
57.03436	2.5
59.04971	2.7
64.17867	2.6
67.05496	3.4
69.07056	5.8
70.91055	5.2
70.91389	2.5
79.05495	29.2
81.07064	37.2
85.02890	9.3
88.74380	2.4
91.05466	5.8
93.07023	14.7
95.08596	15.8
97.06523	8.8
104.48551	2.6
105.07024	10.2
107.08595	100.0
109.06522	2.5
109.10143	5.7
115.07553	3.4
119.08539	6.2
121.10146	27.8
125.09612	4.2
125.15588	3.1
131.08554	3.1
133.10088	4.9
135.11676	10.0
161.13281	15.5
163.14789	15.9
173.13210	4.1
175.14893	4.7
179.14310	88.0
191.14291	27.0
193.15904	10.0
209.15405	30.7
331.42148	2.4
335.18488	3.3
353.19559	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.2
55.05504	16.1
57.92829	4.9
59.36732	5.6
69.07060	6.4
70.06586	6.1
71.16129	12.4
78.91974	4.7
83.04987	12.4
83.08623	10.9
85.02918	7.0
91.05481	6.1
93.07056	14.9
95.04967	63.1
95.08605	8.4
99.04469	17.6
105.07014	6.6
107.08569	5.3
109.10189	5.4
109.52042	5.1
111.08051	6.5
112.37411	5.4
121.06505	44.5
121.10104	7.2
133.10170	10.8
139.03889	20.2
140.04277	9.9
147.11673	7.6
151.11214	15.0
152.04332	7.8
153.01857	16.3
153.09166	25.9
167.14366	20.4
171.20412	6.0
173.13269	6.0
181.05029	6.1
191.14293	9.5
193.08673	6.3
194.08916	10.7
209.15356	100.0
227.16501	17.7
306.42429	4.8
344.14725	5.0
406.16547	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3728
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
53.03945	1.3
55.01866	2.2
55.05522	3.9
57.07079	9.7
67.05507	10.5
69.03419	1.3
69.07055	2.7
71.08636	6.9
71.25007	1.8
79.05499	1.8
80.89717	0.7
81.07050	3.0
83.01344	1.5
83.04986	1.2
83.08613	2.1
85.06518	0.7
85.10176	4.5
91.05495	6.8
93.07047	37.3
95.04994	2.2
95.08614	22.0
95.09142	0.4
97.06588	1.5
97.10161	1.2
105.07063	1.0
107.08590	5.2
109.06496	1.0
109.10115	2.0
111.08083	20.4
119.08597	1.2
121.06516	2.1
121.10143	2.1
123.08098	1.4
125.09641	2.2
127.07580	3.5
135.08147	0.8
135.11661	1.3
139.07544	20.0
145.10074	0.8
148.81827	0.8
151.11234	1.1
153.09111	10.5
157.08580	1.4
167.10699	7.3
172.01035	0.8
181.12239	7.7
195.13843	4.7
209.15393	4.0
223.16966	2.0
229.38460	0.8
237.18591	1.8
251.20197	1.0
279.23090	1.6
293.24738	1.1
321.27859	1.3
405.37289	100.0
406.37527	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	405.2636
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
51.02362	3.2
53.03939	10.5
55.01876	17.3
55.05516	30.3
57.03429	10.1
57.07067	6.1
65.03933	6.1
66.68971	2.6
67.05508	69.2
69.03435	27.3
69.07070	27.2
71.04988	8.6
71.51775	4.2
79.05071	4.6
79.05493	61.8
81.03425	28.0
81.07061	86.4
83.04977	15.1
83.08623	15.1
85.02917	7.5
85.06544	5.6
89.07381	3.9
91.05473	71.6
93.07043	74.2
95.04999	15.4
95.08601	49.4
97.02891	12.3
97.06510	6.3
97.10165	7.6
99.04469	8.6
105.07030	67.6
107.04951	13.1
107.08604	42.3
109.02856	6.6
109.06506	12.8
109.10155	20.1
111.04433	15.4
111.08083	6.7
115.05447	6.6
117.07018	47.1
117.07779	5.8
119.08588	54.3
121.06493	9.1
121.10149	31.5
123.04383	4.2
123.08083	5.3
123.11704	10.3
126.66335	3.2
127.03896	5.3
128.06212	6.5
129.07014	26.9
131.04910	3.9
131.08568	59.0
133.06496	12.5
133.10152	31.4
135.08038	10.1
135.11734	19.1
137.09586	5.7
139.11119	4.4
141.07013	7.7
142.07750	5.1
143.08548	19.3
144.09349	4.4
145.06482	7.5
145.10129	49.3
147.08043	12.7
147.11702	29.9
147.54092	3.7
149.09631	8.5
149.13239	12.4
151.07544	4.2
155.08557	9.3
157.10110	21.0
159.08081	6.4
159.11699	33.6
161.09647	6.4
161.13232	14.3
163.11136	9.1
163.14806	6.7
169.10130	12.5
170.41440	3.0
171.08061	6.6
171.11736	21.6
173.09682	7.3
173.13246	24.6
175.07591	4.9
175.11214	8.0
175.14821	3.6
177.12720	4.7
183.08090	4.0
183.11664	7.6
185.09587	4.7
185.13275	11.1
187.11153	6.2
187.14822	6.8
189.12743	5.4
193.10110	4.1
195.11749	3.1
196.12650	2.9
197.13220	9.0
199.11220	4.9
199.14832	7.6
201.12732	5.9
209.13228	5.2
211.11191	3.5
213.12758	5.1
215.14174	4.4
219.13966	3.4
259.20599	8.2
271.20432	6.0
273.22125	7.0
275.19791	3.6
277.21591	9.8
285.22128	4.4
287.20035	3.6
289.21530	10.7
301.21613	11.9
303.23038	10.1
313.21579	9.0
315.23303	14.6
319.22653	9.1
327.23288	9.3
331.22653	8.9
341.24753	7.4
345.24295	9.5
351.23071	13.8
359.25909	5.3
369.24280	58.4
387.25323	43.7
405.26321	100.0
406.26770	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	405.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.6
55.24561	0.9
57.03422	3.5
57.07081	100.0
58.91696	1.0
59.05008	47.9
63.57822	1.1
69.07064	3.2
69.52486	6.3
71.08639	67.9
72.52565	1.0
81.07037	2.4
83.08626	1.4
85.10190	57.6
89.06024	2.6
91.05489	1.5
93.07030	1.4
95.04912	1.0
95.08606	2.8
97.10177	2.2
99.11752	6.8
101.09647	1.2
107.08579	1.7
109.10194	1.4
113.13277	2.4
117.09138	13.1
119.08636	1.4
121.10150	1.6
139.07518	2.3
155.17897	1.7
195.11980	1.1
195.13699	1.0
197.73082	1.0
213.22174	3.8
224.75732	0.8
271.26291	1.7
284.64673	1.1
405.37750	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	405.3731
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
53.03946	1.7
55.01861	1.0
55.05515	8.0
57.07085	11.0
62.11916	0.8
64.10018	0.9
67.05510	5.6
69.07076	11.7
71.08634	8.4
71.50925	1.0
72.72535	0.9
79.02601	0.9
79.05494	1.8
81.07055	3.5
83.01347	6.9
83.04990	1.4
83.08627	5.4
85.10197	4.5
91.05479	3.1
93.07047	16.6
95.08603	11.0
97.06552	3.3
97.10180	3.9
99.76490	1.1
105.07027	1.0
107.08625	5.5
109.06572	1.0
109.10181	1.5
111.08083	10.7
111.08803	1.3
111.11699	0.9
121.06519	2.6
121.10155	2.7
123.08078	2.5
125.06006	3.6
125.09686	5.1
127.07537	3.7
135.08055	1.5
135.11732	2.5
135.12901	0.9
135.34822	1.0
137.09653	1.9
139.07559	22.5
139.11201	3.0
149.13298	1.3
151.11217	2.9
153.09123	8.0
153.12677	1.9
159.11783	1.2
164.23038	0.9
167.10698	6.9
181.12265	9.2
195.13800	9.3
209.15407	6.3
223.16954	3.7
237.18506	2.1
251.20107	2.2
265.21643	3.0
279.23209	2.4
293.24649	1.5
335.29697	1.6
349.30960	1.7
387.36212	2.9
405.37305	100.0
406.37555	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	404.1706
Annotation	Oxoepistephamiersine
Peak:m/z	Relative Intensity
50.25407	0.7
55.21800	0.7
57.61712	0.7
60.04523	0.9
63.82338	0.7
65.00702	0.9
67.05460	0.9
68.05882	0.9
69.03401	0.7
70.06604	7.7
71.74606	0.8
72.08139	1.5
79.05476	1.6
81.07046	2.0
82.06574	3.4
83.01331	2.9
84.08128	2.7
85.02895	1.2
86.09692	2.1
91.05492	1.7
93.07064	2.1
96.08164	2.0
97.02867	1.1
98.09702	5.2
98.21526	2.4
99.04497	0.9
100.07616	3.1
104.82914	0.8
105.07072	1.1
107.04961	1.6
109.02856	1.1
109.06529	1.6
116.07075	1.7
121.06510	3.1
124.03918	2.1
131.08586	3.2
135.04420	2.3
135.08044	1.2
138.05438	1.6
139.03914	36.8
140.03418	2.1
149.05988	1.3
149.09634	5.8
151.03880	6.1
153.05489	4.2
156.06543	1.3
159.08051	2.0
160.53923	0.9
163.03918	8.3
164.10693	1.3
165.05486	1.2
175.07607	1.7
177.05640	2.2
177.09125	70.9
178.09401	1.9
179.03467	1.9
179.07053	2.3
184.06032	3.5
187.07570	3.8
189.09163	2.6
190.08641	1.5
195.15007	1.0
199.07547	2.9
201.09125	2.6
205.05000	1.7
205.08682	3.0
207.10199	1.6
216.10205	7.1
217.08678	1.4
218.11807	14.0
236.12839	62.8
246.11366	1.3
248.12904	5.2
263.13791	1.0
281.11313	1.0
282.77512	0.8
301.07022	1.9
310.09161	1.1
337.10742	2.6
355.11847	1.6
386.16068	9.5
404.17065	100.0
405.17346	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	6.8
67.05487	8.0
67.39724	4.9
69.03417	8.0
70.06605	6.8
71.50146	5.2
71.50520	7.1
73.66586	4.4
78.68063	4.7
79.05491	14.0
82.80130	4.4
85.02905	10.8
85.06557	10.1
85.16849	4.9
86.09686	7.1
91.05485	50.4
93.07021	14.5
95.08607	14.0
97.02917	6.7
105.03414	9.1
105.07040	55.5
107.04970	6.4
107.08604	14.7
109.06528	18.1
109.10138	7.4
116.74204	5.2
117.06997	5.9
119.08599	72.2
121.06530	13.1
121.10161	10.6
123.08073	16.3
124.03970	6.6
131.08609	14.2
133.06541	9.0
133.10127	11.1
137.05957	21.7
137.09599	19.1
139.03899	5.2
139.95993	5.3
145.10103	21.7
147.11697	87.7
149.09644	18.4
153.01807	10.1
156.09348	7.7
161.13304	19.3
163.11304	5.6
165.12802	6.2
165.53557	5.1
167.06931	8.5
189.12746	58.0
204.02963	6.4
207.13832	100.0
218.05896	5.8
225.14787	7.3
242.10400	34.6
404.16223	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73249	1.4
55.01854	1.5
67.05506	1.8
69.03413	3.3
70.91187	2.8
79.05480	2.9
81.03393	2.2
83.04961	1.9
84.15762	1.8
85.02917	9.0
87.00845	2.1
93.07058	2.7
95.08595	5.2
97.02899	2.0
97.06538	1.7
105.07025	3.3
107.08600	1.5
109.06514	4.0
111.04460	1.7
119.01727	1.6
119.08593	4.3
121.10131	4.1
123.08073	100.0
127.03913	4.3
139.03894	8.7
145.05005	2.9
149.09651	2.5
151.03961	2.1
163.11162	1.8
163.87601	1.7
177.12791	2.0
181.12236	10.8
193.08659	3.3
207.13766	3.7
219.10185	2.1
225.14801	12.1
356.03815	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.9
67.35577	0.9
69.03422	1.6
70.90906	2.1
72.73516	0.8
79.05476	1.0
79.72326	0.8
81.03419	1.0
81.07060	1.8
83.04952	1.9
85.02917	2.3
93.07026	1.5
95.08639	4.3
96.70457	0.9
97.02920	1.1
97.06538	1.3
99.87747	0.9
107.04995	1.3
109.06507	2.4
119.08569	1.8
121.10128	4.1
123.08075	100.0
125.06010	1.0
135.11589	1.3
137.09558	1.1
149.09618	1.6
151.11208	0.9
167.07045	2.9
167.10698	2.0
171.11742	1.3
177.12653	1.5
181.12242	7.7
189.12701	1.8
204.16609	0.8
207.13771	2.8
225.14845	11.7
376.99991	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04513	1.8
61.34004	1.1
69.03437	1.9
70.06595	24.1
71.06931	6.0
71.50640	1.5
72.07272	1.1
72.08164	2.1
79.05494	3.0
81.03429	1.4
81.07070	1.8
83.01342	1.8
84.04517	1.9
84.08165	6.5
85.02901	4.9
85.11879	0.9
91.05505	1.5
95.08607	1.4
96.04496	1.5
96.10593	0.9
96.68206	1.0
96.70736	1.1
97.02872	2.2
98.09702	2.3
98.84827	1.1
105.07042	1.2
107.04961	2.6
107.08607	1.0
109.02894	1.3
120.08115	3.4
121.06494	2.2
122.06869	1.3
124.03978	1.5
131.08565	2.1
135.04453	1.4
136.03894	1.1
137.06071	1.2
139.03911	24.8
140.04245	9.9
143.08601	1.1
149.05952	1.2
149.09627	3.0
150.09917	3.6
151.03920	3.2
152.04276	1.8
153.01846	3.0
153.05492	4.0
154.05847	1.1
159.08035	1.8
161.06029	2.4
163.03928	6.0
164.04228	3.3
166.74544	0.9
167.07207	1.0
169.05057	1.3
177.05559	5.7
177.09109	34.0
177.10667	1.9
177.69028	1.0
178.05965	5.6
178.09456	36.0
179.05959	3.2
180.06248	2.0
184.05949	1.2
187.07500	1.0
188.07878	2.5
198.16093	1.1
200.07933	1.4
203.07068	1.5
205.08681	1.6
206.08997	2.0
216.10208	2.7
217.10495	5.0
218.11819	5.1
219.12057	8.6
226.08652	1.5
236.12849	22.6
237.13148	36.0
243.11494	1.3
249.13145	2.2
259.11081	1.7
338.11093	1.4
348.10669	2.5
356.11856	1.3
387.16415	8.8
405.17313	100.0
406.17603	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	403.3573
Annotation	delta-Tocopherol
Peak:m/z	Relative Intensity
55.05501	10.1
57.07079	24.1
62.81667	4.0
67.05501	14.2
69.07061	17.5
71.08630	22.0
78.09817	4.0
79.05512	6.0
81.07066	42.3
83.04974	4.9
83.08616	12.7
85.10184	18.0
93.07061	5.8
95.08593	15.1
97.10181	7.2
105.07054	12.3
107.08613	13.5
109.06508	18.6
109.10149	9.1
111.04465	6.4
119.08583	12.5
121.06550	5.0
121.10152	13.8
122.23608	4.3
123.08101	7.4
123.11664	8.4
129.01823	11.9
133.10092	10.2
135.08060	12.5
137.05983	100.0
147.11732	5.5
149.09659	11.8
151.07596	5.1
161.09654	13.9
161.13272	12.3
163.11201	8.5
165.09251	6.1
175.11215	7.4
175.14758	6.6
177.12820	10.5
179.10741	7.8
189.12769	5.3
193.12358	5.7
207.13870	6.8
231.17500	7.6
301.25143	6.7
351.03064	4.3
371.04391	4.8
385.34631	11.8
403.14270	5.6
403.35849	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3936
Annotation	Campestanol
Peak:m/z	Relative Intensity
54.17595	2.5
54.24067	2.5
54.58377	2.5
55.05512	22.4
55.57743	2.3
57.07077	34.7
67.05492	11.4
69.07070	33.3
71.08637	20.0
71.52007	3.9
79.83424	2.5
81.07056	16.2
83.08627	21.9
85.10171	12.5
89.06037	34.5
93.07062	3.9
95.08616	22.8
97.10175	13.4
103.77901	2.8
105.07044	6.0
107.08595	8.9
109.06535	2.8
109.10165	23.0
111.11685	3.2
119.08591	12.7
121.10153	25.0
123.08080	6.6
123.11720	12.3
125.09637	9.1
129.01874	5.0
133.08589	5.8
133.10164	6.8
135.11681	23.2
137.06007	3.4
137.09619	73.1
137.13263	6.8
138.09970	2.4
147.11684	3.5
149.13269	20.9
151.09642	11.7
151.11180	5.2
157.01309	3.7
161.05399	2.7
165.12782	6.9
175.14839	6.3
179.14360	9.1
193.15923	10.2
207.17480	7.2
221.19017	5.7
235.20703	3.0
249.22086	3.4
263.23920	3.7
277.25531	5.1
291.26944	3.4
385.38358	10.6
403.13922	3.6
403.35638	4.9
403.39453	100.0
404.39859	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	403.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
53.27185	0.8
56.05030	2.1
56.96569	2.4
57.03439	1.2
58.99598	1.8
59.08920	0.8
61.02920	1.1
64.54844	0.8
67.05498	1.7
68.03870	1.0
68.05028	4.0
69.03430	2.3
69.07099	0.9
70.06599	5.6
71.06944	1.2
72.08164	2.3
74.67812	1.0
76.02234	4.4
80.05034	3.7
81.03407	1.9
82.06595	3.0
84.08154	43.0
85.02916	5.3
86.09706	2.2
97.01024	1.0
97.02902	3.7
97.06524	4.0
98.97590	2.3
111.04448	1.5
118.04588	0.9
120.08165	1.6
121.06509	1.5
124.03997	1.1
126.05522	1.0
127.03934	1.3
130.08646	10.5
134.09668	100.0
135.10013	1.3
136.07616	1.1
136.11255	1.3
138.05510	1.0
139.03929	3.5
140.07039	1.1
143.66209	1.1
151.12335	1.6
153.01833	4.6
162.02257	2.6
177.05420	1.2
178.05771	1.3
179.04861	3.0
197.12875	90.6
198.13171	1.9
224.12810	2.4
241.12022	6.4
241.15475	4.0
254.66557	0.9
308.08957	1.2
343.01169	1.2
361.02377	2.2
403.15778	26.4
403.20474	1.3
404.15637	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01860	1.4
55.05494	0.4
60.32099	0.3
61.01141	1.4
63.03487	0.4
65.03933	0.4
67.05499	0.5
68.99789	2.5
69.07057	1.7
70.06602	0.5
71.51052	0.3
72.04514	1.2
78.03806	3.3
79.05479	1.4
81.03407	0.4
81.07040	1.4
86.06064	1.6
87.08217	0.4
91.05478	1.1
93.07019	0.7
95.04990	0.5
95.08607	0.7
97.02915	0.4
97.06530	1.1
97.10173	0.5
98.98476	0.4
102.03769	5.2
103.02184	0.4
105.06983	0.5
107.04965	2.2
107.08611	0.6
109.06496	0.4
111.04449	0.7
114.03809	0.4
115.08645	1.0
120.04814	1.0
121.06503	0.6
121.10114	0.5
122.03630	0.4
123.04476	0.5
125.05972	0.3
128.06209	1.3
129.07027	1.9
131.06389	3.0
131.08542	0.7
132.04807	2.3
133.02835	0.9
133.10104	0.5
134.12906	0.3
137.02335	0.8
139.03905	11.8
140.04718	1.8
141.07005	0.7
143.08591	0.7
146.69255	0.3
147.04430	0.5
149.07446	21.3
151.03923	0.7
152.06197	1.2
153.06995	4.2
157.06505	7.6
159.08080	0.6
161.06000	0.4
163.03891	1.5
165.06987	1.6
167.03401	1.1
167.07024	1.2
169.06348	0.4
171.08066	2.3
175.07491	0.5
178.05008	5.6
179.03412	0.5
181.05238	0.5
181.06487	12.5
182.06990	0.4
185.05978	3.2
187.07576	1.8
189.16254	0.3
199.07555	7.7
209.05962	4.0
210.06728	1.3
211.50095	0.4
213.05490	7.3
217.08638	3.6
226.06282	1.1
227.07040	14.8
232.06166	0.7
235.09647	1.3
237.05524	2.7
255.06534	100.0
256.06989	2.5
272.09180	0.7
284.09180	7.4
306.07425	0.4
326.10272	5.3
385.12714	0.8
403.14474	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	32.6
57.07095	23.5
59.90470	19.5
67.05494	70.4
69.07066	62.0
70.02463	88.0
70.06589	46.9
79.05498	54.8
81.07047	100.0
83.08636	21.4
83.09940	21.2
91.05482	66.7
93.07056	59.7
95.08613	29.0
97.06549	31.0
97.10193	33.4
105.07049	48.0
107.08618	54.7
117.07020	46.6
119.08559	34.7
121.06413	25.3
121.10107	24.8
130.05812	21.8
130.43207	22.9
135.11736	17.9
179.14288	22.4
199.90688	22.9
255.15985	47.5
269.17630	33.8
275.20187	29.8
286.20245	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	5.2
57.07076	2.9
57.12233	1.6
65.11769	1.5
69.03436	3.1
69.07063	6.1
71.08628	4.2
71.22968	3.2
79.05473	6.7
81.07056	8.4
83.08608	4.9
95.04983	2.9
97.02925	2.1
97.10166	2.9
107.04958	4.8
108.05729	8.0
109.06515	10.9
115.71455	1.7
121.06493	10.1
123.04427	4.7
131.08528	1.8
136.05202	25.9
137.05986	85.3
138.06769	26.0
149.06096	2.6
149.09659	8.3
150.06760	14.5
163.07582	6.3
177.09120	47.2
191.10783	2.2
192.11418	2.0
235.73573	1.6
257.67584	1.7
402.34967	100.0
403.35083	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	402.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52062	0.4
55.05506	0.6
57.07080	8.2
58.06591	1.7
59.35963	0.4
70.06595	16.8
70.59394	1.0
71.08632	2.8
72.08173	0.7
85.10168	1.5
88.07632	24.0
95.47103	0.4
102.09186	14.7
113.33990	0.4
120.48633	0.4
132.10184	0.8
134.91479	0.3
146.11801	0.9
150.11270	0.7
265.27338	0.4
278.13571	0.4
296.33228	1.4
340.35745	38.1
341.36053	1.0
384.38278	2.9
402.39423	100.0
403.39743	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	402.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	67.8
55.92147	14.9
58.04080	15.2
67.05495	55.1
67.83104	15.6
69.03436	19.9
69.07061	66.4
69.61023	25.8
69.61424	100.0
70.06596	32.4
79.05495	56.1
81.07043	57.5
83.04955	24.2
91.05486	36.0
93.07021	48.6
95.04975	16.6
95.08620	47.9
97.10155	37.4
98.21516	18.4
99.37341	17.6
103.47459	16.7
104.66462	14.7
105.07040	44.5
107.08619	31.0
109.10078	17.6
117.07001	21.1
119.08546	26.4
121.10075	25.6
125.09636	28.3
129.06985	24.0
130.07666	14.7
131.08594	19.1
133.10144	29.9
145.10094	36.3
149.09566	18.2
153.33418	16.1
157.10123	20.4
166.17892	16.1
189.11423	20.5
219.35725	16.0
222.10936	16.3
223.38614	16.7
227.12698	17.3
259.89630	17.1
267.32462	17.7
269.17471	30.5
275.20343	26.5
286.20206	27.7
349.23718	26.7
402.28903	19.8
418.66129	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	402.1552
Annotation	papaveroxine intermediate
Peak:m/z	Relative Intensity
52.28585	0.6
54.03481	0.8
55.01881	0.8
59.44481	0.4
62.68233	0.5
68.99803	1.4
69.90438	2.3
70.06599	100.0
79.05508	0.6
88.34268	0.4
91.05481	0.6
93.07053	0.6
107.04974	1.6
121.06506	2.3
131.04953	0.7
135.04443	4.0
139.03917	12.6
142.50023	0.4
149.05977	5.2
152.16911	0.5
153.05516	0.5
159.04453	1.2
163.03922	6.7
165.05504	0.7
171.77144	0.5
175.07530	1.0
177.05484	55.3
178.05836	0.8
181.04895	2.4
189.05513	0.8
200.72482	0.5
207.06607	0.6
226.02583	0.6
234.11292	2.5
296.17722	0.5
345.09735	11.9
361.83606	0.5
402.15509	43.7
403.15619	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1549
Annotation	papaveroxine intermediate
Peak:m/z	Relative Intensity
54.03477	1.0
58.06583	0.7
59.49536	0.5
62.23817	0.5
68.99807	1.2
69.56180	0.5
70.06596	100.0
70.90311	1.5
79.05499	1.3
91.05466	0.8
93.07072	0.7
97.99701	0.4
103.05497	1.0
107.04962	2.3
108.56190	0.6
121.06484	2.6
135.04404	3.6
139.03900	13.9
145.02841	0.8
149.06000	6.3
159.04449	1.2
163.03897	7.1
165.05449	0.8
175.07576	0.8
177.05478	59.1
178.05748	1.0
181.05002	2.2
189.05569	0.7
205.04941	0.8
213.49992	0.5
234.11240	3.6
327.08551	1.0
345.09677	10.5
383.70474	0.5
402.15472	35.7
403.15533	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	5.2
61.37002	0.4
62.06083	1.2
65.03931	0.9
69.03425	0.7
69.07057	1.0
70.06590	1.8
70.55890	0.7
70.56235	0.9
81.03458	0.6
81.07071	0.9
85.02903	1.4
93.07027	0.7
97.02871	0.7
98.21370	0.8
105.07031	0.6
111.08101	0.5
121.02893	2.9
139.03955	0.7
145.10097	0.6
149.02356	100.0
150.02678	0.8
153.01808	1.4
154.02251	0.5
157.21626	0.5
160.08342	0.5
161.85738	0.5
167.03412	5.6
167.07132	0.6
177.05568	0.4
179.48865	0.5
197.37106	0.4
205.08659	1.5
221.11235	0.5
223.09648	11.1
242.17476	0.9
293.31476	0.6
313.83115	0.5
402.27353	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1546
Annotation	papaveroxine intermediate
Peak:m/z	Relative Intensity
55.04259	0.6
59.86333	0.6
68.99786	0.8
69.03451	0.9
69.50580	4.4
70.06596	100.0
71.06952	0.7
79.05506	0.9
81.07074	0.9
82.06580	1.5
83.30895	0.5
84.08157	0.9
85.02950	0.6
90.79675	0.6
91.05499	1.4
93.07079	0.7
95.04965	0.6
103.05443	1.1
107.04978	2.1
121.06506	4.9
135.04399	4.5
136.06219	2.3
137.05937	1.3
138.05519	1.2
138.09177	1.1
139.03906	12.5
149.05980	5.8
153.01801	1.4
159.04460	1.2
163.03917	8.0
165.05579	1.6
170.06870	0.6
175.07632	0.9
177.05476	55.8
181.04997	1.7
189.05524	0.8
226.58528	0.7
226.60710	0.7
227.08794	0.7
234.11270	2.3
240.10770	4.0
245.09837	1.6
251.34235	0.6
327.08514	0.9
345.09756	11.1
402.15509	45.6
403.15768	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	402.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.9
55.15865	1.4
63.65488	1.2
70.06589	4.2
70.96156	2.9
77.34832	1.4
84.08113	2.0
93.07001	1.5
95.04960	1.4
97.06531	2.4
105.03393	5.1
113.53355	1.4
121.06491	1.6
122.63019	1.4
124.03941	3.2
139.03940	2.7
140.04982	3.0
154.06531	3.2
155.06047	20.3
163.03880	1.4
167.06036	9.6
168.06816	1.4
168.08138	2.3
169.06262	2.1
169.07619	32.4
179.06088	6.1
181.07549	7.0
182.06030	10.2
183.05548	18.6
183.09200	1.6
185.07086	16.4
193.07603	10.9
194.06046	2.2
195.05548	37.3
195.09196	9.9
196.06241	12.1
197.07111	14.8
198.05537	6.2
198.07639	1.3
201.06647	3.9
205.07671	5.3
206.08357	1.9
207.05582	5.8
208.06468	1.9
209.07008	6.6
211.05046	4.7
211.08699	5.3
213.06566	26.6
221.07094	16.4
222.07887	5.4
223.08664	19.5
224.07065	2.2
225.06590	32.8
227.08209	11.8
229.06073	18.1
235.09763	2.2
237.06662	4.0
238.07443	2.9
239.08188	18.8
241.06079	2.7
241.09593	2.4
243.07652	5.1
249.06639	6.8
251.08180	42.6
253.06154	10.5
255.07774	7.2
257.05566	5.2
266.92978	1.5
267.07709	14.0
269.05920	2.4
269.09213	27.6
271.07086	17.4
277.06055	5.1
279.07657	32.7
285.08725	20.5
285.11734	2.5
295.07138	24.8
297.08749	24.8
313.08173	30.4
315.09760	23.8
324.09940	2.3
331.09351	4.0
338.11481	6.9
342.10855	49.7
356.12360	10.5
359.14896	2.2
366.10718	10.5
384.11874	73.6
385.12268	3.6
402.12936	100.0
403.13232	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	401.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96117	2.1
53.03956	4.1
55.01873	2.6
55.05491	2.7
67.05508	7.0
69.07078	3.4
69.44112	7.2
69.44523	8.8
69.61696	1.9
69.76907	1.9
70.06602	3.3
72.08160	2.0
72.70409	1.9
73.52228	2.0
78.04720	2.3
79.05499	20.4
81.03445	3.7
81.07047	9.7
83.04975	5.2
91.05497	10.5
93.07043	6.1
95.04974	7.2
95.08614	6.9
105.07021	8.5
106.04202	2.8
107.04956	33.3
107.08598	5.3
109.10160	5.3
111.04437	2.9
115.05452	5.7
116.06224	4.9
117.07001	5.7
119.08568	3.8
121.06535	4.2
121.10172	2.2
123.04415	11.1
123.08099	3.7
123.11728	3.0
124.05209	6.8
125.05974	3.8
128.06241	3.8
129.06999	7.5
131.04950	3.1
131.08549	8.7
133.06458	2.5
133.10106	2.3
137.05907	4.2
139.03931	14.5
139.07532	2.4
141.07002	5.6
143.08632	3.0
144.05725	9.1
145.06512	7.0
147.04350	2.3
147.11705	5.6
149.06026	2.4
151.03920	7.5
151.07549	5.0
152.04652	3.9
153.01837	8.7
153.05484	3.0
153.07054	3.0
156.05713	13.8
157.06538	4.0
159.08078	14.4
161.06000	3.1
163.03938	3.2
165.05591	2.6
165.07083	2.2
165.12776	3.2
167.07045	100.0
169.06464	3.7
172.70702	2.3
173.06017	7.1
173.13226	2.5
177.05434	4.5
177.06894	2.3
179.07086	3.2
181.04953	7.0
181.06482	3.9
186.06802	3.8
187.07425	10.3
190.06210	2.5
191.07022	4.6
202.06213	6.4
203.08652	2.7
204.07863	4.1
205.06847	2.7
205.08601	16.5
207.06445	3.6
208.05212	16.7
209.08121	3.5
210.06784	3.0
211.07553	2.4
217.08569	38.0
218.07269	5.1
219.08069	10.9
219.10239	6.9
220.08856	3.7
221.06027	5.8
229.08742	2.8
231.08041	8.8
233.09671	3.0
235.07579	3.4
236.04791	7.9
236.08325	3.8
239.07019	4.4
240.03889	2.7
246.06812	2.6
247.07492	11.6
247.09712	21.2
248.08298	12.2
249.05310	2.4
249.09128	4.9
254.05760	10.1
260.08167	2.8
261.09079	5.3
262.09924	4.6
263.06937	2.3
263.10794	11.6
264.07813	4.5
265.08582	8.1
267.06519	8.1
268.03809	2.6
269.08051	21.2
271.09689	5.0
272.06717	6.2
275.07010	7.4
276.07858	7.5
277.08557	7.6
279.06903	2.8
279.10184	7.1
281.07944	2.4
282.05469	2.9
282.08853	11.5
283.06128	3.1
290.09506	4.8
291.07114	2.3
291.10068	13.9
292.07346	4.3
293.08075	10.1
299.09271	6.0
301.06952	2.6
304.07401	2.9
305.08063	3.5
307.09711	10.7
308.10373	8.3
310.08347	9.4
311.12732	4.0
315.08612	69.1
316.08798	2.7
319.09689	9.8
321.07504	3.3
323.12756	15.1
328.09583	6.3
330.10974	74.6
331.11554	12.0
336.09854	5.7
337.10675	8.9
339.12292	8.6
343.11743	24.3
351.12253	23.6
352.12933	4.6
353.10181	8.8
368.12442	9.3
369.13556	2.9
371.14685	4.2
373.12695	2.9
383.10233	4.4
383.14893	53.9
401.16348	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	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.9
64.65970	3.1
67.05488	4.8
69.07067	6.8
70.06590	7.4
71.51270	3.4
72.08156	7.9
78.04710	3.1
79.05499	24.3
81.03419	5.4
81.07050	15.7
83.04992	4.8
85.02885	3.5
91.05473	12.8
93.07041	8.1
95.04971	8.7
95.08623	6.2
103.05504	4.2
105.07034	10.2
107.04955	32.5
107.08626	6.2
109.06509	4.3
109.10148	8.9
115.05437	4.7
116.06284	4.3
119.08568	5.9
119.76327	3.6
123.04455	9.9
123.11669	5.3
124.05211	4.5
125.05997	3.8
127.03953	3.6
128.06236	5.7
129.06961	9.9
131.08594	16.2
137.06026	5.0
139.03911	20.4
141.06972	5.0
144.05696	10.8
145.06491	8.4
147.11649	6.0
151.03914	7.2
151.07611	6.8
152.04614	5.4
153.01833	14.5
156.05693	14.7
157.06511	3.6
159.08078	18.4
160.05203	3.6
161.06094	3.7
163.03899	6.5
165.07022	3.7
165.09100	4.6
167.07042	100.0
169.06439	4.3
171.08109	3.5
173.06000	6.5
173.09549	4.2
177.05495	4.6
181.04874	4.0
181.08620	6.5
184.05121	5.8
186.06679	5.8
187.07513	11.2
189.05473	3.7
191.07018	4.3
191.10649	5.0
202.06180	6.4
203.08615	4.1
204.07808	4.0
205.06824	3.7
205.08629	13.3
207.06516	8.2
208.05197	23.3
215.06931	4.5
217.08606	47.7
219.08022	12.3
219.10095	7.2
221.06049	9.6
229.08633	6.1
231.08035	9.4
231.10135	4.6
233.09784	3.9
236.04730	7.3
236.08357	5.9
239.07022	5.3
246.06842	4.0
247.07489	14.0
247.09695	26.2
248.08287	15.7
249.08990	4.8
254.05730	9.3
259.07468	4.3
261.09088	7.9
263.10797	9.6
264.07828	9.4
265.08588	5.5
266.05832	4.3
267.06448	6.3
268.03412	3.8
269.08081	25.8
271.09686	10.3
272.06882	5.6
274.71918	3.5
275.06995	5.8
276.07785	8.3
277.08493	7.7
279.10043	8.4
282.05475	3.4
282.08978	17.0
290.09390	5.3
291.06723	4.6
291.10184	17.8
293.08072	5.7
299.09189	7.1
301.06891	8.2
304.07196	3.6
305.08072	4.3
306.08807	4.4
307.09637	9.9
308.10345	4.4
310.08185	6.4
315.08643	64.9
319.09653	7.2
322.12036	3.9
323.09323	4.3
323.12723	16.1
328.09311	8.8
330.11038	84.8
331.11664	12.2
336.09882	5.6
337.10730	8.9
339.12405	10.6
343.11685	17.0
351.12283	30.5
352.12766	4.9
353.10358	7.7
368.12454	9.3
369.13330	5.2
383.14893	66.9
401.16284	22.1
401.27310	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	400.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85904	0.2
53.03954	0.2
55.01862	0.8
56.96565	0.8
57.03441	1.4
61.02925	0.4
69.03432	2.6
69.82267	0.9
70.06596	0.6
71.01340	0.5
71.08629	0.8
72.08192	0.3
73.02914	0.9
73.16120	0.2
75.27472	0.2
81.03413	0.6
83.04978	0.4
84.08154	0.2
85.02914	1.9
87.04515	0.3
88.11280	2.8
90.49400	0.3
91.05501	0.3
94.04041	0.6
97.02905	2.4
98.97605	0.6
99.04461	0.4
109.02904	0.5
111.04450	0.4
115.03934	0.7
116.98639	0.3
119.03587	1.2
120.90987	0.2
121.06517	0.8
122.02766	0.5
122.06029	0.3
127.03925	0.4
133.04985	0.9
136.06198	100.0
137.04605	0.9
137.06586	0.4
138.05504	0.4
139.03915	2.6
151.03893	0.6
153.01868	2.0
163.03967	0.3
175.36998	0.2
192.32962	0.2
213.00711	0.3
219.01910	0.2
220.07153	0.4
220.17000	0.5
237.03046	0.3
238.10797	0.3
250.09291	0.3
256.04883	0.4
261.11212	0.4
268.10419	8.7
276.72375	0.2
279.12366	0.7
359.99234	0.3
361.01987	0.3
400.14880	2.6
418.10294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2017
Annotation	Ptaquiloside
Peak:m/z	Relative Intensity
53.03936	3.7
55.01861	3.0
55.05502	1.7
57.03445	5.8
57.26342	1.1
57.55842	1.1
59.05005	1.6
61.02699	1.0
61.02932	10.3
67.05499	3.4
69.03095	1.4
69.03437	26.5
69.07056	1.3
70.02937	3.0
70.06607	6.2
70.35189	1.0
70.85456	2.2
70.85789	1.1
71.04987	4.0
72.08157	2.2
73.02907	4.2
79.05481	4.5
81.03424	10.3
81.07074	5.2
83.04968	1.7
85.02911	60.4
86.09702	1.5
87.04492	6.2
87.05583	1.4
88.03996	1.5
90.72339	0.9
91.03944	3.3
91.05476	4.1
93.07059	15.4
95.04957	1.8
95.08598	3.7
97.02901	22.6
97.06551	2.4
99.04455	5.7
101.06009	1.5
105.07037	6.0
107.08050	0.9
107.08614	8.9
109.02882	5.3
109.06512	5.8
109.10153	2.8
111.04458	1.1
117.06986	1.6
119.08611	5.7
121.06527	2.4
121.10152	40.1
123.08082	6.6
125.05958	1.2
127.03944	12.8
131.08572	4.7
133.06165	1.9
133.10141	9.1
135.08034	3.1
135.11708	14.2
137.05971	1.2
137.09615	2.7
143.08574	1.7
144.09396	1.9
145.04968	5.7
145.10132	3.7
147.04378	1.4
147.11713	3.9
149.09546	1.6
149.13312	2.2
151.07568	23.4
151.11200	2.4
158.06047	2.3
158.10919	1.3
159.11725	8.6
161.09695	5.4
163.07527	1.0
163.11172	1.8
171.11696	1.1
173.13274	4.6
175.08684	3.5
177.09135	2.0
177.12749	5.2
179.10657	1.9
181.12247	1.3
182.04962	7.2
183.05144	3.8
191.14307	6.8
193.12285	3.4
201.12724	3.2
219.13828	25.6
229.15402	1.2
237.14876	72.8
260.10162	1.1
266.10675	2.9
267.10983	6.0
272.66550	1.0
280.15503	1.1
399.15482	5.9
399.20142	100.0
400.14642	1.6
400.20575	4.0
418.93942	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1076
Annotation	Piscerisoflavone E
Peak:m/z	Relative Intensity
51.46886	2.4
55.01873	4.5
55.05504	5.8
57.03441	4.3
57.07085	2.9
67.05494	12.0
68.99789	6.9
69.03392	2.6
69.07067	2.9
70.05825	9.1
71.08616	3.7
74.50468	2.3
79.05499	11.5
81.03429	3.6
81.07075	13.0
83.04992	5.7
85.02893	3.7
88.15122	3.1
91.05477	12.7
93.07042	11.8
95.04971	11.9
95.08617	8.9
96.92224	2.3
97.02906	3.7
98.21437	3.8
103.05465	5.0
105.07045	15.3
107.04964	14.7
107.08621	4.3
109.06508	4.6
109.10164	3.8
111.00833	7.2
111.04454	4.6
117.07034	5.0
119.08572	9.0
121.06505	6.6
121.10143	5.8
123.04411	5.0
127.07550	2.9
128.06235	5.5
129.05473	4.0
129.07024	8.5
131.04935	4.4
131.08583	7.7
133.06436	4.6
133.10091	5.3
135.04451	5.2
135.11703	3.5
139.03894	18.9
141.07018	3.1
143.08617	2.7
145.06483	3.6
145.10168	3.8
147.08083	7.5
149.06030	4.1
151.07510	2.7
153.15738	2.8
155.08600	3.7
157.06517	2.8
157.10162	3.9
159.04437	3.2
159.08095	7.4
159.11621	4.5
163.03932	28.1
169.10117	3.3
170.56219	2.5
171.08127	4.4
173.09654	3.3
173.13246	2.9
176.04706	21.7
177.05542	13.5
179.03363	6.4
185.05873	4.4
187.03860	5.8
189.05502	11.5
199.07541	4.6
203.07037	5.1
205.04994	30.5
209.05943	4.3
213.05533	3.4
221.08130	3.6
227.07025	8.5
233.15353	4.0
237.05484	3.6
239.07024	7.8
240.07927	4.8
241.08638	8.0
245.08168	5.0
251.07094	4.5
255.06540	9.7
256.07236	3.6
265.08707	3.8
266.05679	3.5
267.06616	7.3
268.07336	50.5
269.08096	10.0
279.06610	4.4
279.10153	11.7
281.08093	7.7
281.11563	4.3
282.05484	4.8
283.06046	16.4
283.09784	7.1
285.11264	4.7
288.33997	2.8
293.08170	4.8
295.06296	6.3
295.09622	53.5
296.07251	3.9
296.10422	11.5
297.07623	6.4
297.11108	8.3
307.09647	9.3
309.07471	3.1
309.10989	4.2
311.05716	4.5
311.09222	8.2
319.05988	3.9
323.09271	4.3
324.10016	3.7
325.10699	31.1
326.11618	4.4
327.05054	4.9
327.12189	8.1
328.05914	3.3
329.10138	4.0
335.09122	11.9
337.07040	7.4
337.10718	3.4
338.04193	3.6
339.08530	3.9
352.05063	3.4
352.09439	68.5
353.10239	59.5
355.11801	10.4
356.05255	5.6
357.09723	5.3
363.08286	3.3
370.10309	10.5
371.11267	19.9
381.09680	57.1
399.05692	5.2
399.10764	100.0
399.25287	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	398.2693
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
53.03946	1.1
55.01866	1.5
55.05524	3.3
56.70973	0.5
57.07061	1.8
59.05001	0.7
65.03956	0.6
67.05506	4.3
68.05022	2.2
69.07074	2.9
70.06597	15.8
71.04974	0.6
71.50819	0.9
79.05502	5.3
81.07059	6.3
83.08606	1.2
84.08131	0.8
85.06564	1.4
86.09702	0.7
91.05481	9.4
93.07056	10.3
94.06588	1.9
95.04982	2.3
95.08629	4.3
96.08149	3.4
98.06044	0.6
100.07629	5.7
103.05437	0.7
105.07036	14.7
105.07697	1.2
106.06552	1.4
107.05026	0.5
107.08607	7.1
108.08131	2.0
109.10160	2.8
114.05543	5.3
115.05453	1.3
116.07096	7.8
117.07032	4.6
119.08588	18.4
120.08128	4.7
121.06483	0.8
121.08861	0.6
121.10132	4.5
122.09687	3.0
123.11728	0.9
128.06241	1.3
128.07088	6.4
129.07014	1.9
130.07788	1.7
131.08572	9.4
133.09058	0.9
133.10143	7.7
134.09642	1.7
135.08084	1.5
135.11685	1.2
136.11279	1.3
139.03922	3.0
141.06946	1.3
142.07770	1.7
143.08553	5.0
144.09346	1.6
145.06584	0.8
145.10135	10.7
146.09676	1.4
147.08101	0.9
147.11707	3.3
148.11215	7.6
149.12019	1.1
150.12830	0.9
151.06291	1.3
154.08635	2.6
155.08582	2.1
156.09380	1.6
157.10155	6.8
158.10918	1.2
159.11716	3.5
160.11223	1.6
161.09680	0.9
162.12756	1.0
163.14842	0.9
164.07089	1.1
166.08742	1.3
167.08627	1.4
168.10223	20.2
169.10121	2.7
170.10962	0.8
171.11684	3.1
173.13284	5.8
175.14824	2.7
178.08656	6.9
181.10086	1.2
183.11711	4.7
185.13306	2.3
187.14819	1.0
188.14383	0.8
191.14278	1.1
192.10193	4.1
194.11819	13.0
195.11792	2.1
196.12474	1.3
197.05988	0.7
197.13283	2.2
199.14882	1.9
206.11848	1.3
208.13083	0.5
209.13219	2.7
211.14842	1.5
223.14830	0.8
224.15659	0.7
225.05478	0.6
231.06482	0.9
232.13385	1.4
234.14819	1.4
235.14886	0.8
237.16321	0.9
239.17903	0.9
244.13263	1.1
253.15575	0.6
257.19046	0.7
260.16418	3.2
265.19547	1.4
267.21066	0.7
283.20624	1.1
306.20624	3.5
369.09747	2.1
380.25800	7.4
398.26923	100.0
399.16229	0.7
399.27170	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	398.1496
Annotation	2-Methylthioribosyl-trans-zeatin
Peak:m/z	Relative Intensity
55.01868	1.0
57.03423	1.6
66.92156	0.3
67.05492	1.0
69.03426	0.9
70.06571	0.5
71.01332	0.5
73.02901	0.6
81.03385	0.4
81.07050	0.6
85.02883	1.0
87.04488	0.5
93.07034	0.4
94.07330	0.4
94.60465	0.3
97.02897	0.6
97.06520	0.4
109.02900	0.4
109.10184	0.5
115.03944	0.4
126.05502	1.2
134.04622	8.4
134.05643	0.4
135.03056	0.5
139.03859	0.5
140.02704	0.7
148.08644	0.3
152.05727	1.9
154.05008	1.6
158.95769	0.4
165.02328	4.4
167.02592	1.4
175.09827	0.7
181.05452	0.9
182.04958	100.0
183.05226	0.6
185.08228	0.3
194.04961	2.3
198.50146	0.4
200.09279	0.7
204.84229	0.3
205.05412	1.7
206.52051	0.3
216.04689	1.8
219.06984	0.8
224.05927	0.3
231.06966	6.7
248.09642	10.5
266.10703	81.7
267.11038	1.4
296.70050	0.4
369.09430	0.5
398.14917	34.3
399.15329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.165
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
55.01881	1.5
55.05508	4.8
65.03954	1.8
67.05500	5.8
69.02314	1.2
69.03428	2.5
69.07072	3.6
69.15630	16.0
70.06599	2.3
79.05508	4.9
81.03436	1.5
81.07073	7.2
82.24095	1.6
83.04999	4.1
84.74582	2.0
91.05493	14.8
93.07054	5.7
94.04194	2.1
95.04951	2.5
95.08617	4.5
96.68031	1.4
97.02903	2.3
97.06548	2.2
98.21515	3.4
101.06030	1.9
103.05491	5.4
105.07063	7.1
107.04980	2.9
107.08599	4.9
109.06542	4.6
117.07014	2.3
118.06585	4.6
119.04939	8.4
119.08617	3.8
121.06578	3.2
121.10119	3.4
122.03652	8.4
123.04433	1.8
123.08060	1.9
123.11729	1.6
127.03911	2.0
127.07642	1.6
128.06259	4.1
129.07002	6.7
131.04933	3.5
131.08640	6.9
133.10146	2.5
135.04463	1.6
135.08078	1.9
136.05222	1.9
137.05986	100.0
138.05336	1.5
139.03926	2.1
141.07025	6.1
142.07823	3.5
143.08594	2.2
144.05714	3.2
145.06538	3.4
145.10236	2.0
146.03653	2.2
146.06049	7.1
146.07150	2.0
147.04427	4.1
147.11700	2.4
149.06023	6.3
151.04002	1.9
151.07558	13.4
153.01817	1.8
153.07019	2.5
154.07782	2.6
155.08571	5.3
156.05624	1.4
157.06534	5.4
157.10149	2.3
158.07352	4.5
159.08096	6.6
159.11745	1.5
161.06006	11.9
161.09682	5.1
163.07610	1.8
163.11435	1.7
165.07002	4.2
166.12321	4.7
167.08612	2.8
169.06461	3.1
170.07376	2.8
171.08102	6.4
172.08859	4.1
173.09689	4.0
175.07617	5.8
181.06468	3.3
182.07295	9.8
183.08031	3.6
184.05212	1.9
184.08850	3.5
185.06152	2.1
185.09630	11.8
186.06787	2.6
187.07536	7.0
188.07123	6.4
189.09135	3.9
189.12794	3.2
191.07036	7.7
194.07259	3.6
195.08081	3.2
197.05949	2.0
197.09610	11.4
198.06764	21.6
199.07582	11.9
200.08360	3.3
201.05620	1.5
201.09180	6.0
203.10722	3.1
209.09734	1.9
210.06799	4.2
210.14944	9.9
211.07599	4.6
212.08409	4.0
213.09119	27.3
213.11008	2.0
214.09927	1.6
215.07072	1.6
215.10754	6.1
217.08461	2.0
217.10295	2.4
225.09160	13.5
227.10924	2.6
230.07880	1.9
231.08421	3.5
233.09608	3.4
237.09152	1.9
242.09464	1.8
243.07942	1.7
243.10158	23.1
244.08832	1.7
245.09773	3.5
245.11874	2.8
247.07657	2.5
248.08394	3.7
249.14754	2.2
255.10266	7.9
257.09705	4.3
258.06848	1.5
259.05814	2.8
259.08197	3.2
259.10760	1.6
260.08469	3.1
261.09232	5.5
262.10077	2.3
264.07925	3.5
265.08658	2.3
271.07700	4.0
273.05093	2.0
273.09097	2.4
273.11282	67.6
274.09955	2.5
275.10748	4.4
276.07864	3.0
277.08844	6.7
277.12286	2.6
278.09396	2.4
279.06525	1.4
279.10559	1.5
285.09134	4.0
287.07431	2.5
287.10562	2.8
288.07941	2.6
289.08670	5.3
289.12271	3.4
290.09366	3.6
291.10083	7.4
292.07422	3.5
292.11047	2.3
293.08484	2.4
293.13831	2.2
301.08688	4.4
301.12408	1.8
302.09482	2.2
303.10278	6.2
304.10953	1.9
305.08475	2.6
305.11859	4.4
306.08908	2.3
307.09702	10.5
307.12909	1.9
308.10544	5.9
309.11346	1.7
317.11899	5.2
319.09833	3.2
319.13202	2.7
320.10724	2.2
321.11188	8.2
325.10855	2.9
333.11215	3.7
334.12054	2.9
335.12921	5.5
337.14679	3.4
339.12323	3.7
349.14127	7.0
351.12231	13.0
351.15906	1.8
353.14236	2.1
354.14618	20.4
361.14517	3.4
365.14178	1.7
367.15503	4.7
379.10718	2.6
379.15402	13.1
397.16516	89.9
397.21088	6.4
397.25647	7.0
398.16925	3.5
398.21661	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.05486	1.2
67.05489	1.9
69.07077	1.7
70.06606	1.1
71.51259	1.7
79.05502	1.1
81.07059	3.2
86.05975	1.1
91.05479	5.7
93.07047	13.7
95.04963	1.8
95.08584	2.2
102.68500	1.1
103.05468	6.8
105.07014	1.8
107.08597	2.9
108.08101	1.4
111.04460	1.1
119.08606	1.2
121.06513	100.0
135.11723	1.4
139.03918	8.0
148.11214	1.5
162.12788	42.2
163.13144	1.3
178.15927	8.3
200.07103	2.3
212.07104	2.7
228.06531	2.8
229.07408	1.5
230.08147	25.3
240.06477	7.4
258.07608	22.1
270.07599	5.8
276.23358	2.2
282.18552	67.8
283.18845	1.8
284.20120	3.1
291.08884	2.6
291.20285	1.0
294.07544	2.5
298.21643	32.9
298.24887	1.7
326.21234	6.5
360.08710	4.5
377.04556	1.1
378.09805	13.3
380.92224	1.2
396.10818	32.2
396.29010	91.1
397.11041	1.8
397.29343	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	396.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01212	1.3
54.22257	1.5
55.05489	2.2
57.07076	53.2
59.05000	17.3
67.05482	2.7
69.07063	4.0
71.08632	100.0
71.51575	2.4
81.07047	2.5
83.08546	2.0
85.10184	52.4
89.06032	47.7
93.07052	1.8
103.07593	3.4
107.07022	1.9
127.14854	7.6
133.08597	19.5
139.03903	3.7
141.40863	1.6
157.06137	1.5
161.29216	1.6
177.11215	17.9
184.07327	3.8
185.18970	11.4
195.12291	16.7
230.08133	6.9
235.15411	2.2
239.14891	9.1
240.06546	2.7
253.16290	1.8
258.07645	7.8
270.07538	2.4
277.39441	1.7
378.09601	5.1
379.30490	9.1
395.29474	1.8
396.10797	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	396.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85157	1.0
52.59336	1.0
52.63972	1.0
56.64994	1.0
69.03420	1.8
79.05528	1.3
81.07050	1.7
91.05490	1.4
93.03423	1.0
95.08601	1.5
97.02901	1.0
98.84229	1.1
100.10497	1.0
111.04453	2.5
128.07141	1.6
139.03914	33.2
184.07579	4.7
185.06041	1.1
194.06165	1.2
200.07065	8.3
201.07928	1.4
202.08582	2.0
212.07057	9.6
214.05006	1.4
215.05753	1.2
222.05508	1.8
224.07133	2.7
224.95531	0.9
228.06506	12.8
229.07405	6.4
230.08133	60.2
238.04822	1.2
239.05701	1.4
240.06566	26.3
241.07291	1.3
242.08134	2.0
251.05772	1.7
252.06589	3.7
253.07413	3.0
256.06055	2.2
257.06888	6.7
258.04883	2.2
258.07626	44.4
266.08185	5.0
267.08972	1.9
270.07648	15.0
280.97073	1.2
288.10419	1.3
290.07977	2.5
291.09119	4.9
292.09628	1.8
293.10641	1.1
294.07629	4.8
302.17587	1.2
304.09760	1.4
312.08609	1.8
332.09229	1.5
334.20129	6.3
336.08768	2.1
350.10263	1.3
360.08624	8.7
376.08112	2.3
377.09027	2.4
378.09750	88.3
379.10217	4.0
396.10831	100.0
397.11118	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	395.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	13.5
57.07082	17.4
57.77040	1.9
59.71004	2.5
67.05507	26.0
69.07066	26.1
69.45584	16.6
71.08636	15.2
79.05503	13.4
81.07059	59.6
83.08630	14.5
85.10182	8.9
86.45170	2.3
89.06044	3.0
91.05472	22.2
93.07037	18.8
95.08612	38.3
97.10175	12.8
105.07037	31.5
107.08595	17.7
109.10177	22.8
111.11723	7.4
117.07046	11.7
119.08589	16.7
121.10158	9.5
123.11724	10.0
125.13277	4.4
129.07011	4.0
130.07790	3.3
131.08566	18.0
133.10136	32.0
135.11711	6.8
137.13255	3.8
137.63770	2.0
143.08569	5.4
145.10126	59.2
147.11699	25.8
149.13306	4.0
151.07542	2.6
151.14897	2.3
157.10123	8.5
159.11696	41.6
161.13283	8.3
163.11679	2.2
163.14778	4.3
171.11713	3.3
173.13223	12.3
175.14735	3.2
185.13364	7.1
187.14838	4.8
189.16431	3.2
199.14857	7.4
201.16409	5.1
203.17831	2.4
213.16418	8.6
225.88622	1.8
227.17990	3.6
241.19534	4.3
247.24258	3.1
255.21074	5.0
365.37344	2.5
395.36758	100.0
396.37299	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	396.108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39576	0.8
57.65237	0.6
62.18401	0.8
65.32544	0.7
67.05499	0.8
68.99785	0.9
71.50746	1.3
82.23138	0.6
94.07310	0.7
105.07017	1.0
111.04427	1.8
123.04434	3.8
124.03992	0.9
135.04446	1.0
139.03917	22.6
140.71301	0.8
147.04332	0.9
161.06036	0.9
163.03940	0.9
175.07573	0.8
184.07607	3.0
188.07210	0.8
188.64046	0.7
193.83881	0.8
194.06143	1.0
200.07092	5.7
201.07979	1.0
202.08636	2.8
203.07141	1.2
212.07065	8.2
214.05052	1.7
215.05812	2.6
215.67711	0.8
222.05522	1.8
222.09262	1.0
224.07092	1.6
228.06619	6.4
229.07355	4.7
230.08147	75.9
231.08423	1.0
240.06587	26.9
241.07191	1.7
242.08191	2.3
248.07033	1.2
250.08688	1.6
251.05658	0.9
252.06572	2.5
253.07393	3.8
254.08064	0.8
257.06839	2.2
258.07648	64.1
259.08112	1.8
262.08722	1.1
266.08096	4.8
267.08896	2.4
268.09692	3.0
270.07632	21.9
273.07581	1.5
290.08157	2.7
291.08878	5.2
292.09576	1.7
294.07507	6.2
312.08832	1.3
318.07755	1.6
322.59692	0.9
332.09134	1.5
334.06842	1.0
334.10687	0.9
336.08701	2.0
350.10004	0.9
359.08109	0.8
360.08725	15.0
377.08856	1.2
378.04794	1.6
378.09738	35.6
396.10812	100.0
397.11200	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83214	0.9
56.83703	0.9
56.96551	2.1
68.74109	1.1
70.06587	1.5
71.50887	1.3
74.06073	1.0
74.55394	0.9
79.92642	1.0
84.04480	1.0
84.08138	1.0
85.02894	1.1
91.05467	1.1
97.02880	1.1
97.52969	1.0
112.29655	1.1
120.08099	1.3
122.06016	1.1
127.03897	0.9
137.48123	1.0
139.03853	4.7
153.01865	4.8
162.04135	2.2
162.09178	1.4
208.09694	1.7
245.09192	3.3
247.57526	1.1
261.55392	1.0
263.08856	1.4
377.13647	1.1
395.13159	100.0
396.13904	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35309	2.5
53.03931	1.9
55.05514	27.5
57.07073	17.7
65.03942	1.9
67.05506	22.1
69.07072	34.3
70.77585	1.8
71.08641	10.0
79.05492	14.6
81.07057	55.1
83.08623	55.6
85.10172	4.2
91.05476	14.4
93.07046	26.0
95.08606	45.2
97.10162	9.3
105.07035	28.6
107.08592	33.3
109.10155	32.0
111.11735	4.2
115.80855	1.9
117.07011	6.3
119.08595	22.6
121.10154	17.1
123.11688	11.4
129.06972	2.5
129.92947	2.2
131.08586	12.4
133.10136	21.3
135.11687	23.3
137.13232	2.6
143.08508	2.2
145.10135	20.7
147.11685	40.3
149.13258	17.7
157.10136	4.5
159.11707	27.0
161.13258	23.4
163.14836	7.7
171.11732	4.8
173.13254	18.8
175.14835	10.5
177.16374	4.8
185.13254	4.6
187.14833	12.5
189.16438	7.2
191.17836	2.2
199.14825	7.8
201.16338	11.8
203.17950	5.6
213.16391	6.8
215.18030	7.7
218.59279	2.4
227.17914	7.0
229.19633	3.4
241.19498	6.8
255.21100	12.6
269.22751	4.2
283.24377	3.3
285.25702	3.0
297.25833	15.2
299.27451	2.1
311.27368	7.4
338.83356	2.0
387.03461	2.3
395.36737	100.0
396.36786	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	394.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	4.4
55.01876	4.5
55.05515	3.9
67.05493	5.1
69.03425	8.3
69.07068	4.7
70.06594	14.4
71.24178	4.3
71.24512	4.8
72.08170	19.2
75.01559	3.4
78.03456	9.0
79.05505	5.6
81.03415	11.5
81.07063	11.8
81.95549	3.1
84.04509	6.9
85.02912	9.9
86.09704	8.8
91.05489	3.8
95.04980	3.8
97.02897	4.5
101.63970	3.6
106.02944	23.5
107.08586	5.4
109.02926	8.8
109.06519	6.9
110.24264	3.7
119.08563	7.1
120.08119	16.7
121.06525	9.1
124.03938	31.9
125.05972	6.6
127.03917	8.3
133.10138	6.6
134.09570	4.5
137.05989	100.0
137.09639	4.1
144.09146	3.6
154.05067	5.2
161.05975	3.8
166.08623	4.8
179.10715	27.2
197.11760	69.2
201.12434	9.2
205.06113	8.2
208.09738	4.3
229.11853	4.2
237.08861	4.2
240.78465	3.5
250.07208	10.8
268.08197	8.1
376.12891	3.7
394.11536	5.5
394.16617	4.4
394.22015	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	395.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76244	3.4
65.79613	3.0
68.11698	3.0
70.65916	4.6
70.66249	8.0
92.54663	3.1
168.14915	4.0
177.94926	4.0
239.59554	3.3
287.53616	3.7
345.20859	3.4
395.09384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92329	1.4
53.03942	2.7
55.05514	41.2
57.06836	1.8
57.07079	25.6
60.51171	1.3
63.03671	1.5
67.05238	1.4
67.05513	16.6
69.07073	40.7
71.08634	9.5
71.51979	1.4
79.05495	13.4
81.07059	68.6
83.08623	100.0
85.10175	5.1
91.05478	12.9
93.07046	15.6
95.08069	1.9
95.08619	21.1
97.10182	13.5
99.15074	1.4
105.07031	18.9
107.08596	26.7
109.10173	16.3
111.11697	2.5
117.07017	6.9
119.08585	13.0
121.10136	12.7
123.11698	6.9
127.66001	1.4
128.06236	1.4
129.06989	4.7
130.07803	2.0
131.08580	12.8
133.10153	14.9
135.11684	5.2
137.13290	2.3
139.14857	1.8
141.06955	2.0
142.07791	4.4
142.90440	1.5
143.08566	7.4
145.10123	23.7
147.11690	15.3
149.13249	5.8
150.71205	1.6
155.08575	3.2
157.10139	22.9
159.11688	16.0
161.13232	8.4
163.14810	4.7
169.10159	3.3
171.11641	8.5
173.13248	5.3
175.14832	4.3
183.11679	7.4
185.13235	8.7
187.14835	5.7
189.09081	2.2
189.16441	2.9
197.13255	5.2
199.14766	7.2
201.16385	6.4
205.19490	1.5
211.14745	6.8
213.16403	5.5
215.17984	2.9
225.16415	4.5
227.18001	4.1
229.19583	1.5
239.17978	8.4
241.19624	1.6
243.21201	1.7
253.19530	9.7
255.21135	2.3
260.00693	1.6
263.01535	1.3
267.21005	2.6
269.22598	1.7
273.25928	1.8
281.22726	2.9
286.43292	1.6
295.24167	16.4
309.25775	8.1
313.28922	2.8
393.35184	89.2
394.35165	3.3
401.25107	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03980	1.1
53.03929	1.3
54.93088	1.0
60.38973	1.3
68.05510	1.0
69.03439	3.8
70.06597	1.4
70.98260	2.9
78.53857	0.9
79.01879	1.7
81.03419	10.0
85.02918	4.7
88.11299	1.4
97.02901	5.0
99.04467	1.1
99.17767	1.1
109.02879	7.2
125.02354	1.7
127.03947	7.2
143.03448	3.3
153.01842	100.0
171.02911	12.3
187.74474	1.0
195.89896	1.2
198.46774	1.1
230.13861	2.4
231.14294	1.1
232.14458	3.7
297.06070	12.5
299.37198	1.1
315.07144	14.3
394.15079	1.5
394.34958	1.5
417.96564	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01874	14.8
55.05503	4.7
57.03433	6.3
57.06825	1.9
57.07080	22.7
69.07063	4.1
70.96211	2.9
71.08639	23.9
75.45430	1.5
81.03428	15.3
81.07054	4.6
82.17397	1.4
83.08620	4.2
85.10194	12.8
95.08598	2.6
99.04443	2.0
99.11753	1.6
109.02895	39.5
113.13299	2.2
115.03920	8.7
123.04441	2.0
123.11743	1.5
127.03929	100.0
141.05467	5.9
151.07545	1.9
155.07036	1.7
169.08586	6.3
183.10197	10.2
189.09125	3.8
197.11778	7.6
211.13286	6.3
225.14894	5.9
239.16420	10.7
241.35567	1.7
253.18022	10.6
267.19568	8.1
281.21136	6.9
295.22647	6.3
309.24298	5.0
309.43481	1.6
323.25778	4.8
337.27301	3.9
393.33627	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	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.0
55.05517	24.5
57.03436	5.0
57.07076	29.4
67.05516	38.4
69.07076	29.5
70.45770	14.9
70.53291	4.3
71.08618	15.9
79.05493	42.2
81.07066	66.5
83.04992	8.6
83.08614	15.5
85.06532	4.9
91.05483	58.8
93.07048	69.5
95.04976	60.7
95.08612	76.3
97.06530	12.9
98.98479	31.2
103.05458	8.7
105.07041	96.3
105.07659	3.4
107.08598	55.6
109.06520	19.3
109.10163	32.0
112.99973	8.4
117.07024	23.0
119.08591	100.0
119.29024	3.6
121.06507	24.9
121.10165	39.5
123.08057	8.7
123.11696	18.0
128.06223	8.7
129.07014	22.1
130.07809	6.9
131.08588	38.8
133.10147	53.1
135.08090	5.8
135.11707	21.3
141.06987	9.3
142.07780	29.1
143.08560	38.9
144.09306	9.8
145.06435	4.6
145.10121	68.8
147.11699	23.5
149.09637	4.6
153.07004	5.2
155.01064	60.5
155.08534	14.0
156.09326	8.4
157.10129	68.6
158.10886	7.9
159.08060	7.4
159.11717	47.3
161.09607	18.3
161.13289	8.4
163.11177	5.6
165.06985	6.5
167.08667	6.8
168.09375	7.8
169.02573	7.2
169.10138	30.3
171.11656	23.5
173.09634	6.4
173.13249	22.0
175.11180	9.0
175.14825	19.1
179.08554	8.5
181.10146	10.6
183.11722	16.3
184.12354	4.9
185.13268	13.5
187.11234	8.2
187.14793	14.6
193.10202	6.1
195.11702	13.5
196.12483	6.3
197.13232	14.1
199.14856	11.7
201.16411	12.0
205.10185	4.0
206.10922	5.0
207.11678	6.5
209.13286	17.2
211.14868	5.5
213.16368	5.7
220.12595	5.3
221.13329	6.0
223.14789	8.0
225.16267	7.1
235.14851	6.1
237.16418	6.0
249.16396	5.2
253.15755	5.0
264.25415	4.2
304.26505	9.1
393.27783	10.4
393.35611	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	392.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01883	2.1
67.05488	1.4
69.03432	2.0
70.06586	4.8
70.85726	2.0
70.86053	1.7
72.08157	1.4
79.05497	3.3
81.03410	1.3
81.07044	1.4
85.02910	9.5
86.09710	2.1
91.05486	2.2
97.02873	3.1
103.05479	3.4
105.07027	3.4
107.04961	40.2
111.04460	1.6
115.05416	1.9
116.07143	2.8
117.07059	1.3
121.02839	1.2
121.06518	1.5
123.04436	1.3
124.05248	1.7
124.07600	1.3
131.04948	1.7
135.08055	9.0
137.05963	2.5
139.03818	1.3
145.04919	1.5
146.60655	1.1
149.06015	1.3
151.03873	2.6
154.06255	2.4
163.07565	32.6
163.32979	1.4
166.08591	1.2
167.07057	81.2
180.07861	1.8
181.08569	1.6
195.10178	29.0
213.11230	100.0
214.11533	1.6
216.08774	2.0
240.08827	2.0
300.10901	1.4
301.11636	1.7
392.19482	3.5
393.21008	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	393.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.3
57.03448	5.9
57.03669	1.2
57.07081	37.2
58.47561	1.1
64.41132	1.0
65.03933	1.1
67.05514	14.4
69.07076	9.1
69.47458	7.6
71.08638	27.9
71.93432	0.9
79.05473	2.4
81.07063	18.4
83.08617	10.0
85.10188	15.0
91.05534	1.1
93.07043	2.5
95.08005	1.5
95.08614	26.5
97.10160	5.1
98.20811	2.2
98.98476	71.2
99.11726	1.6
103.41277	0.9
105.07028	1.2
109.10164	12.9
111.11709	1.9
119.08578	1.4
123.11720	6.8
133.10115	1.2
137.13278	2.7
155.01054	100.0
180.48907	1.1
208.48711	1.3
239.23691	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.2
55.05516	14.9
57.03440	9.5
57.07074	5.5
59.22800	3.0
60.19682	2.7
67.05509	27.9
69.07066	13.4
71.05000	3.4
71.51692	4.1
79.05498	22.4
80.52511	2.7
81.03439	5.5
81.07064	28.5
83.04972	3.4
83.08621	7.4
85.06551	3.7
88.07603	3.7
91.05486	44.3
93.07056	27.4
95.04976	8.2
95.08605	16.5
97.06550	3.6
97.10181	4.4
103.05510	3.4
105.07030	38.0
107.04959	6.2
107.08598	18.4
109.06530	6.3
109.10185	7.0
111.08099	2.9
115.05430	3.8
116.45292	3.0
117.07018	29.5
119.08591	27.7
121.06494	6.0
121.10146	11.3
128.06187	4.6
129.07008	16.1
131.08572	38.7
133.06509	12.2
133.10141	21.4
134.60165	3.1
134.81952	3.0
135.08055	5.7
135.11684	6.4
142.07695	3.7
143.08586	15.3
145.10133	24.1
147.04431	6.4
147.08073	11.1
147.11676	12.2
148.04738	5.1
155.08589	3.7
157.10176	16.1
159.11720	20.7
161.09633	5.8
161.13260	8.0
163.11183	5.7
171.11671	11.2
173.13300	12.3
175.11191	7.9
175.14841	4.4
185.09692	3.0
185.13257	11.5
187.14825	5.0
189.12851	3.7
191.07109	6.3
192.07387	7.5
195.11639	3.9
199.14908	5.7
203.14291	5.4
209.13268	3.7
213.16122	3.1
220.06956	4.3
222.08217	3.7
259.20682	3.9
273.22119	26.6
283.20648	9.9
301.21655	100.0
319.22684	17.0
331.22705	3.3
349.23804	9.9
375.25327	56.6
379.23361	3.3
393.26233	24.1
412.29404	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	392.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
58.99564	0.9
61.02916	0.7
67.05500	2.6
69.03429	2.5
69.07059	0.9
70.06575	1.8
71.04971	0.8
71.49929	0.6
76.02236	2.5
79.05478	1.9
81.03406	1.7
81.07045	1.3
82.06564	1.1
83.04981	0.6
84.04519	3.3
84.08157	1.5
85.02900	4.1
85.06551	1.1
86.09683	0.6
89.52069	0.6
91.05492	1.1
93.07037	1.6
94.06575	4.4
95.04957	2.2
95.08586	1.3
96.08147	1.0
96.31973	0.5
97.02884	2.2
97.06505	0.7
99.02663	1.0
99.04479	0.9
105.07030	1.0
107.08586	1.1
108.08125	2.2
109.02858	0.9
109.06527	2.0
110.06044	4.0
111.08074	0.9
112.07609	1.2
113.06008	0.9
116.01674	2.3
120.08104	1.7
121.06493	2.2
122.06047	8.6
122.09648	1.3
123.04443	0.6
124.07616	3.2
126.09148	0.8
127.03909	0.8
130.04984	0.8
131.08585	0.9
134.09685	1.3
135.08073	1.3
136.07574	3.4
136.11238	1.1
137.05960	1.5
138.09157	4.7
139.07530	1.6
140.07069	12.2
142.06841	2.0
142.08640	2.3
143.05318	0.9
144.01154	0.9
148.11255	3.5
149.02368	1.0
149.09595	2.9
150.02679	0.9
150.09152	1.5
152.07004	0.7
153.01848	2.9
154.02158	1.1
154.08646	19.0
156.10173	0.8
159.08095	0.7
160.07928	1.3
162.02229	2.4
164.10721	0.7
166.12306	4.9
166.13622	0.8
167.07097	1.0
167.10690	2.4
168.10213	1.6
176.10695	3.2
177.09203	0.8
194.11803	11.1
195.10159	0.8
195.12062	0.7
196.09778	0.6
202.05319	1.0
208.09576	0.6
212.12817	9.6
215.22771	0.5
230.13892	100.0
231.12117	0.7
231.14264	1.8
245.09561	8.7
392.13644	0.7
393.17407	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	392.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30458	2.0
65.03967	2.6
70.06586	7.6
70.59359	6.3
81.78991	2.7
91.05486	17.1
93.84926	2.1
94.25690	2.0
102.14233	2.0
119.04952	12.3
121.06501	25.9
132.95525	2.0
137.05977	100.0
138.09129	6.3
141.00044	5.1
153.01872	2.9
154.08633	40.2
170.06715	2.1
189.38510	2.2
198.06102	6.0
216.07243	3.0
233.92041	2.0
277.07581	2.7
350.12857	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
57.03429	1.3
61.02917	1.0
66.09413	0.5
67.05498	1.1
69.03430	3.2
69.07065	0.8
70.63613	1.0
76.02212	0.6
81.03407	1.6
82.06561	0.9
84.08163	0.6
85.02905	5.6
91.05507	0.8
93.07043	0.9
94.06586	3.3
95.04961	1.8
95.08607	0.6
96.08141	0.8
97.02893	1.3
106.06538	1.1
107.08586	0.8
108.08131	1.6
109.06493	1.1
110.06061	3.1
111.08044	1.0
112.07607	0.9
113.06013	1.4
117.03727	0.8
119.08649	0.6
120.08076	1.1
122.06039	10.1
122.09682	1.3
123.04434	0.6
123.06801	0.9
124.07619	3.3
126.09135	0.7
127.03934	0.8
131.08585	1.3
131.09563	0.5
133.06494	0.6
134.09662	2.2
135.08035	1.2
136.07594	2.9
136.11229	1.1
138.09152	4.7
139.07539	2.3
140.07068	13.5
142.08604	0.6
148.07549	0.8
148.11208	3.6
149.09624	2.7
150.09128	1.1
152.07123	1.1
154.08635	18.2
156.10202	1.5
161.08406	0.7
164.10725	0.8
166.12289	5.7
167.10680	2.3
168.10202	1.8
176.10677	3.5
194.11768	11.3
195.10173	0.7
202.47496	0.5
212.12828	8.7
230.13881	100.0
231.14247	2.0
245.09618	1.1
254.13879	0.9
384.33688	0.7
392.19119	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	392.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43790	1.0
52.68934	1.2
55.01870	3.3
55.05517	1.4
56.05035	1.6
57.03442	15.5
57.07063	2.0
58.99586	10.2
61.01152	1.6
67.05515	4.8
68.05035	1.0
69.03435	1.5
71.05008	1.9
71.20045	1.2
71.50226	1.0
73.01145	1.5
74.95004	1.3
76.02234	49.3
76.03991	1.9
79.05507	1.2
79.97694	1.1
80.04993	1.8
81.03463	1.3
81.07073	2.2
81.66862	1.2
82.06559	2.3
83.04977	2.6
83.06092	3.4
84.04510	32.6
84.08159	7.3
85.02914	2.7
85.06076	2.0
85.06550	23.0
86.00650	1.7
86.99064	4.1
87.02694	1.7
88.02209	3.3
89.00587	2.5
94.06562	3.0
95.07442	1.0
96.08127	2.9
97.02905	1.6
99.02687	7.5
102.05556	2.4
107.08594	1.1
108.08119	2.5
109.06514	2.8
110.06039	3.3
112.03977	4.7
114.03755	1.4
116.01691	20.7
116.05337	2.3
117.03726	94.4
121.06467	1.9
122.06010	6.1
124.07609	1.6
125.04256	3.1
125.05965	1.3
129.06604	5.5
130.05019	14.6
134.09689	1.3
136.07585	3.8
138.09120	3.2
139.07591	1.3
140.07089	8.5
141.04887	1.3
142.03209	2.6
142.06873	12.5
142.08652	4.7
143.05234	6.1
144.01151	10.3
145.06163	1.6
149.02351	3.0
149.09686	2.1
150.02617	1.8
152.53067	1.2
153.01852	3.2
154.02222	1.6
154.08661	12.2
160.07924	22.7
162.02214	36.1
166.12325	2.8
167.10739	2.0
176.10635	2.6
179.04883	21.7
187.05327	2.5
194.11812	6.8
199.08875	1.4
202.05258	1.6
212.12837	4.6
227.08286	1.4
228.06789	2.2
230.13896	63.7
233.05949	4.6
245.09573	100.0
246.07985	5.8
263.10651	6.4
299.10532	2.0
300.35596	1.1
317.11652	15.1
334.95148	1.2
392.14478	3.7
392.19266	2.7
394.67087	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16580	1.0
65.03944	1.8
70.06596	26.9
70.06965	2.1
71.21111	1.6
84.08160	1.9
85.02909	1.2
87.77602	1.0
91.05486	20.9
101.00888	1.5
109.06468	1.4
119.01940	1.8
119.04939	10.5
121.06513	11.9
137.05984	100.0
138.09155	5.0
143.01947	1.8
154.08640	31.4
157.03528	2.5
161.02972	2.1
170.06674	4.0
175.04555	1.3
181.03557	1.3
185.03033	1.5
198.06140	18.9
212.07677	1.9
216.07184	20.2
230.13902	9.3
277.07666	7.0
295.08783	6.7
348.11710	1.2
350.12900	5.4
352.36517	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.4
55.05511	11.8
55.37083	2.8
57.07066	8.3
61.87516	2.9
67.05513	20.0
69.03429	4.2
69.07063	10.3
69.67584	16.1
71.04984	3.4
71.08637	3.1
75.86643	2.6
77.03912	2.9
79.05496	25.9
81.07056	34.2
82.52245	2.9
83.04994	3.4
83.08595	3.8
91.05492	35.2
93.07043	39.8
95.04980	42.2
95.08617	20.8
95.98370	2.8
97.06532	4.1
98.21468	4.5
103.05455	4.4
105.07035	61.9
107.08598	24.2
109.06511	11.0
109.10164	7.6
115.05436	6.8
117.07012	16.0
119.08583	48.1
121.06604	5.7
121.10151	22.3
123.08085	6.3
128.06232	7.3
129.06990	14.5
130.07776	12.7
131.08588	28.0
133.10144	18.1
135.08073	5.0
135.11679	4.1
141.06998	9.0
142.07774	20.9
143.08577	28.7
144.09358	5.6
145.10130	42.1
147.08031	6.8
147.11702	12.8
149.02351	26.3
153.07089	3.8
154.07820	5.4
155.08574	14.7
156.09372	12.5
157.10143	36.8
158.10800	4.2
159.08110	5.1
159.11707	17.0
161.09592	4.2
161.13254	3.5
165.07001	6.0
166.07785	3.9
167.08556	12.5
168.09425	6.6
169.10136	20.7
170.10951	4.1
171.10464	3.2
171.11659	17.3
173.09694	8.2
173.13261	14.4
175.11227	4.5
179.08598	14.2
180.09450	4.0
181.10109	16.2
182.10851	6.3
183.11728	23.2
184.12515	5.0
185.09610	4.2
185.13271	9.4
187.11150	4.8
191.14377	7.2
192.09309	3.6
193.10135	14.7
194.10905	9.3
195.11685	18.7
196.12503	3.7
197.13254	15.6
199.11200	7.7
199.14818	9.0
201.12692	3.4
205.10092	4.1
206.10979	6.3
207.11707	18.6
208.12442	9.7
209.13264	18.1
211.11136	3.9
211.14806	11.3
213.12863	4.7
219.11737	6.3
220.12447	11.1
221.13319	13.2
223.11012	3.7
223.14813	10.5
225.12898	3.0
227.14302	4.1
229.09990	3.4
233.13290	9.8
235.14809	11.1
236.15512	4.6
237.16357	6.4
239.14311	3.8
247.14812	9.1
248.15654	3.5
249.13010	2.9
249.16389	11.0
251.14307	7.3
253.19510	4.9
259.14999	4.3
261.16370	7.1
263.17990	5.8
273.16327	5.9
275.17880	6.0
277.19504	4.6
279.06613	3.5
279.17462	6.1
281.19119	3.6
282.19818	7.5
291.17474	3.5
297.18564	7.3
307.20557	5.4
317.18982	4.0
335.19977	9.1
373.25269	18.3
391.26315	100.0
391.36090	12.0
392.26730	6.6
414.89059	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43453	0.9
57.07066	2.3
58.57191	0.7
61.02925	0.9
61.85667	0.7
67.05508	1.6
69.03438	0.9
69.34956	4.0
69.35372	3.1
70.06609	4.0
71.06919	1.6
71.08624	1.9
72.08183	1.2
79.05498	1.1
81.07034	1.2
85.10188	0.9
88.07616	1.7
89.96149	0.8
93.07002	1.1
105.07021	0.9
109.10160	1.3
119.08591	1.1
132.10239	2.3
133.10446	0.9
145.72531	0.8
146.11772	1.6
149.02351	14.4
239.01253	0.9
252.17528	0.8
269.56247	0.9
284.29398	1.1
285.29935	2.6
328.32263	2.4
329.32462	9.4
390.36002	2.2
391.24567	100.0
391.35983	27.3
392.02206	0.9
392.24716	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43453	0.9
57.07066	2.3
58.57191	0.7
61.02925	0.9
61.85667	0.7
67.05508	1.6
69.03438	0.9
69.34956	4.0
69.35372	3.1
70.06609	4.0
71.06919	1.6
71.08624	1.9
72.08183	1.2
79.05498	1.1
81.07034	1.2
85.10188	0.9
88.07616	1.7
89.96149	0.8
93.07002	1.1
105.07021	0.9
109.10160	1.3
119.08591	1.1
132.10239	2.3
133.10446	0.9
145.72531	0.8
146.11772	1.6
149.02351	14.4
239.01253	0.9
252.17528	0.8
269.56247	0.9
284.29398	1.1
285.29935	2.6
328.32263	2.4
329.32462	9.4
390.36002	2.2
391.24567	100.0
391.35983	27.3
392.02206	0.9
392.24716	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37047	0.4
52.12669	0.4
57.07083	5.9
58.06598	2.1
59.34281	0.4
69.07063	0.5
70.01743	2.4
70.06597	20.5
71.08641	2.2
71.14523	0.4
72.08153	2.6
84.08134	1.9
85.10158	1.1
86.09704	4.0
88.07639	5.5
89.06056	0.6
96.60094	0.4
102.09202	2.4
114.09229	0.8
115.91856	0.4
132.10205	8.9
135.87534	0.4
146.11761	9.3
159.03954	0.4
240.26886	2.8
266.28503	1.6
284.29471	8.2
284.32339	0.6
328.32114	39.7
329.32541	0.8
390.35803	100.0
391.24832	1.1
391.36050	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	391.1238
Annotation	Sagitol
Peak:m/z	Relative Intensity
53.03943	0.9
62.21375	0.7
63.99424	0.7
65.50008	0.7
69.03436	3.8
71.02133	1.4
79.01849	3.2
81.03431	5.6
85.02908	4.7
97.02915	3.6
99.04476	1.0
107.01312	2.7
109.02894	4.9
125.02353	3.9
127.03937	5.5
139.03992	0.8
143.03453	3.6
149.02376	3.5
153.01846	100.0
153.02913	5.6
154.02296	0.8
171.02893	10.4
230.13861	1.2
297.06158	3.5
315.07156	8.3
355.14514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65763	2.1
55.01867	2.3
55.05515	4.2
57.07064	7.6
59.77688	2.0
67.05495	12.2
68.95055	2.4
69.07064	11.8
70.06602	20.7
70.13509	4.7
70.13918	5.7
71.04986	4.6
71.08629	2.4
72.08144	2.9
79.05486	5.8
81.03414	2.6
81.07047	8.0
83.04937	2.4
83.08582	3.8
85.02907	3.1
86.09695	3.1
88.07624	9.7
88.78107	2.0
91.05479	5.6
93.07042	8.9
95.04950	3.0
95.08610	5.7
97.06561	4.1
98.20843	3.5
102.09174	4.9
105.07029	7.4
107.08580	5.2
109.10171	3.9
117.07027	2.4
119.08591	4.3
121.10138	4.1
132.10213	9.8
137.09525	3.4
145.10155	3.5
146.11784	7.1
147.11671	2.7
149.02354	5.4
149.09619	3.8
149.13312	2.3
159.11732	3.0
161.98433	2.3
171.26569	2.3
173.74739	2.3
177.12686	3.1
222.89200	2.5
240.26799	2.2
261.79056	2.8
275.20090	9.7
284.29498	17.9
289.21619	3.7
304.56552	2.2
328.32098	34.7
352.71072	2.4
372.24072	2.4
390.35776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72420	0.9
53.03949	1.6
56.96574	1.5
62.66786	0.9
70.06576	0.9
70.18650	1.9
70.19049	2.5
83.91407	1.0
84.08145	1.2
85.02912	1.3
91.05476	3.5
93.07060	5.5
94.04991	0.9
98.97556	1.6
102.70946	0.9
103.05463	3.2
115.89497	1.0
121.06512	100.0
122.06067	1.0
122.06856	1.9
123.04477	1.7
137.05984	1.8
138.09145	26.4
139.03831	1.1
140.07115	2.6
153.01823	8.8
154.08598	0.9
169.76822	1.4
228.08728	2.4
321.40979	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	4.1
55.05506	7.2
67.05529	10.6
69.41319	4.4
70.48623	6.5
70.48956	8.4
71.04998	8.0
79.05492	28.8
81.03426	6.7
81.07063	76.4
83.04991	12.4
84.08147	5.6
85.06538	5.2
91.05492	19.5
93.07052	63.5
95.04965	31.2
95.08617	6.3
97.06522	8.9
99.04462	11.7
105.07029	21.8
107.08565	20.2
109.06535	10.1
115.98952	4.3
117.07046	9.7
119.08585	28.1
121.06526	6.9
121.10152	100.0
131.08580	19.2
133.10135	9.5
135.08113	6.5
135.11717	17.2
139.03944	20.2
139.07542	6.7
140.04251	9.6
143.08540	9.3
145.10146	47.6
147.08040	6.1
151.03940	6.3
151.07545	5.4
155.07086	6.0
159.11710	8.7
163.11215	37.2
169.10106	6.4
173.09650	31.3
181.12253	89.8
181.13708	7.6
187.11221	24.9
191.10699	17.3
205.12277	19.8
209.11736	9.2
215.08290	4.2
215.10687	17.5
229.09705	6.8
233.11691	37.0
234.12494	5.0
251.12793	41.5
257.09274	5.6
269.13940	17.6
276.08603	6.3
289.11835	6.0
313.11630	6.8
331.12851	7.9
359.12360	73.8
390.13705	3.9
402.71298	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	390.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.2
55.05510	5.0
57.94471	2.9
58.99573	2.8
61.09013	2.8
62.02587	2.7
69.03419	6.3
69.40339	21.5
70.06593	13.1
72.08145	3.5
72.72655	2.5
81.03384	3.2
81.07043	5.9
84.04507	4.5
84.08128	2.9
85.02907	15.2
86.09705	7.7
91.05486	27.5
93.07045	2.6
96.04507	2.7
96.08147	4.6
97.02881	5.7
105.07039	8.9
109.02879	3.1
109.06557	3.2
109.10173	3.1
116.01694	5.8
119.08595	6.5
120.08102	3.1
121.06493	18.9
124.03953	5.2
124.07594	58.4
127.03862	4.2
129.07036	29.6
131.08563	6.5
133.06511	4.2
138.09102	5.2
139.07690	2.7
145.04880	2.8
147.08051	100.0
152.07071	83.1
161.05934	5.4
162.02097	2.6
165.09117	53.5
165.10492	3.3
166.08606	4.9
170.08160	7.9
177.05469	4.5
192.06198	2.4
192.13594	2.8
210.11304	5.4
211.09698	8.0
228.12398	14.6
292.06604	3.3
354.69247	2.8
390.16168	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	389.2168
Annotation	Lasianthionoside C
Peak:m/z	Relative Intensity
53.03949	3.2
54.59035	3.1
55.01893	4.0
55.05502	4.9
57.03439	4.1
61.02922	5.8
67.05490	11.7
68.85481	2.9
69.03423	14.6
69.07076	6.8
70.56087	4.3
70.56442	8.1
71.04996	28.6
79.05488	7.8
79.94732	2.9
81.03400	7.3
81.07044	18.5
83.08617	7.0
85.02914	34.1
85.06543	8.6
91.05474	10.2
93.07037	15.0
95.04955	12.6
95.08607	14.3
97.02911	9.2
97.06500	4.1
99.04457	100.0
105.07018	11.8
107.08598	37.2
109.02882	4.6
109.06504	7.4
109.10163	14.3
113.09654	5.4
119.08578	8.0
121.06523	3.9
121.10144	11.4
123.04408	6.2
123.08091	14.0
123.11713	18.5
125.09602	4.2
127.03902	10.5
131.08517	4.2
133.10121	13.9
135.08066	6.7
135.11676	6.1
137.09618	5.7
139.03925	20.4
142.06592	3.2
145.04988	6.0
145.10112	3.8
147.11708	4.4
149.13281	8.8
151.03889	49.5
151.11179	8.6
153.01845	3.4
153.05582	3.2
163.03938	6.4
165.12750	12.5
169.12260	19.8
173.13284	9.7
179.14314	12.9
181.05005	5.2
183.13820	28.0
191.14302	14.9
209.15384	18.3
221.11740	24.3
227.16429	69.3
228.16785	4.4
319.08060	11.7
389.17215	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	389.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01870	8.9
55.05505	11.3
58.99922	3.3
60.03161	3.0
65.03931	4.0
66.36711	2.9
67.05523	20.1
69.03436	5.1
69.07066	14.5
71.05006	7.6
71.51075	4.2
79.05497	37.3
81.03402	3.5
81.07056	45.6
83.04986	10.9
83.08623	5.1
85.02908	8.9
85.06548	3.7
88.34658	3.0
91.05485	33.5
93.07053	93.3
95.04970	17.9
95.08598	23.0
95.55727	3.6
97.06517	23.3
98.21692	3.5
98.26334	3.4
99.04446	11.6
103.05460	4.4
105.07037	46.1
107.04948	6.4
107.08604	55.9
109.06513	20.4
109.10154	7.9
111.08058	4.0
117.07005	8.7
119.04961	4.4
119.08572	28.5
121.02850	3.6
121.06516	49.3
121.10129	9.0
123.04413	8.8
123.08052	7.4
123.33454	4.2
125.05977	12.9
127.07561	10.2
129.07018	7.9
131.04997	6.5
131.08549	6.5
133.06575	6.5
133.10175	18.9
135.08040	21.4
135.11646	6.4
137.05978	15.1
137.09625	9.3
139.03909	4.2
139.07564	17.9
142.07806	6.2
143.08551	9.3
145.06511	4.8
145.10162	10.7
147.04384	5.6
147.08070	5.7
147.11697	51.2
149.13307	4.8
151.03911	5.1
151.07579	7.1
153.01820	13.0
153.09138	8.1
153.92975	3.3
156.09351	4.7
157.08643	11.9
157.10141	21.3
160.96138	3.6
161.06009	6.9
161.09641	5.6
161.13243	10.9
163.03940	5.9
163.11185	3.4
165.09119	5.6
165.12746	11.1
165.86087	3.2
166.07742	4.8
167.07063	12.7
167.10699	7.1
169.10048	4.0
171.11639	19.7
173.09587	7.0
173.13304	4.0
175.07520	7.3
175.11208	44.4
180.62946	4.0
181.04985	5.8
189.12767	50.5
191.03412	4.0
191.10713	3.7
193.08595	5.8
193.12242	17.2
199.11191	19.7
207.12035	3.8
207.13728	16.9
209.08054	5.0
217.12244	100.0
219.10243	8.8
228.04906	8.5
231.13872	3.7
235.13278	54.9
249.14853	18.2
253.14311	10.8
262.96457	3.5
267.15912	14.8
295.09985	3.4
309.21393	3.7
327.12143	5.8
339.12363	6.2
389.25201	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	389.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00130	5.0
54.57315	5.1
54.64052	5.0
55.01864	5.1
55.05486	5.4
57.03437	10.3
60.55364	4.1
61.60356	5.0
67.05490	15.2
69.03421	18.6
69.07066	13.6
71.04987	18.0
79.05499	16.0
81.03407	5.4
81.07069	32.0
83.04975	6.8
85.02911	20.4
85.06538	5.3
86.03224	4.8
86.09693	5.3
91.05485	85.9
92.05835	34.4
93.07043	36.1
94.57706	4.5
95.04973	25.7
95.08598	15.0
97.02895	10.2
97.06525	22.2
99.04420	23.6
99.08144	4.9
105.07043	24.8
107.04945	7.1
107.08614	36.4
109.02897	6.7
109.06538	25.8
109.10162	24.2
111.08093	13.7
119.04939	4.6
119.08591	12.2
121.06513	14.0
121.10155	96.8
123.04461	5.4
123.08077	7.2
123.11676	8.0
124.07579	15.7
131.08556	14.4
132.73213	5.1
133.10144	34.7
135.08055	8.7
135.11673	11.6
137.05954	11.2
137.09656	11.4
139.03928	28.9
139.11195	5.3
145.10095	14.5
147.11711	18.7
149.05920	6.4
149.13257	14.9
151.03943	40.1
151.07558	6.5
151.11192	21.5
153.01839	7.9
153.09135	11.3
156.55705	5.6
163.03883	10.5
163.11198	9.3
163.14790	7.8
165.12773	5.8
169.12233	9.6
173.09583	5.7
173.13277	23.3
175.07552	7.5
181.04988	9.5
181.12273	12.0
181.16800	5.1
187.11200	6.1
191.14323	52.9
193.04987	9.4
199.08669	6.8
209.15341	44.3
219.10182	8.8
221.11708	18.9
226.10887	43.3
227.11227	100.0
227.16443	71.0
241.09845	7.2
251.12669	7.2
268.80582	6.2
319.08008	8.3
389.12619	5.4
389.16672	63.4
389.20941	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	389.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.7
55.01882	5.7
55.05516	51.5
57.03435	12.9
67.05515	20.2
69.03429	25.5
69.07051	6.3
69.70310	2.9
71.05003	4.9
71.51190	4.0
79.05495	20.6
81.03423	100.0
81.07055	15.8
83.08625	24.4
85.02913	17.0
90.42435	2.4
91.05487	7.9
93.07043	9.1
97.02906	24.4
97.10175	67.8
99.04462	11.9
103.03919	2.5
105.07039	4.5
107.08598	20.4
109.02902	17.3
109.10194	3.6
117.07044	3.7
119.08597	3.3
123.08040	3.1
125.09641	64.7
127.03933	15.9
135.08032	4.8
139.16129	2.4
153.09187	4.2
171.10196	8.2
189.11224	67.0
218.81905	2.5
227.12796	28.8
245.13878	23.5
273.13400	19.1
297.13419	2.8
371.16885	4.9
389.18213	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10769	2.6
51.02378	3.1
53.03947	2.8
55.01635	2.9
55.01875	35.8
57.56568	2.4
65.03948	14.0
67.05494	7.5
69.03418	6.4
69.07065	5.2
70.56258	6.3
70.56565	3.2
71.04977	2.9
74.48986	2.3
76.59962	2.9
79.01849	6.2
79.05479	11.3
81.07068	7.1
82.04182	5.0
85.02888	11.0
91.05508	12.8
91.22456	2.5
93.03381	4.3
93.07024	6.0
94.04169	3.2
95.04952	11.0
95.08583	7.3
97.02922	3.6
97.06544	4.3
98.20901	2.9
103.05491	15.1
105.07034	7.5
107.04950	13.1
107.08603	5.1
109.06482	4.0
109.10114	2.9
110.03626	9.4
111.04436	8.9
114.34706	2.7
115.05444	4.3
121.02883	3.1
121.03955	2.7
121.06496	8.1
121.10159	2.8
122.03639	4.0
123.04446	16.8
125.02370	3.1
125.05975	7.8
128.06192	5.1
129.07014	11.9
131.04926	16.9
131.08546	3.0
133.06628	3.0
135.04410	3.2
135.07967	3.2
137.02455	4.0
137.05989	39.7
138.03151	3.9
139.03862	6.9
140.04675	3.0
142.02643	4.6
143.03346	5.5
145.06537	6.7
145.10077	2.7
147.04430	7.2
147.08072	3.0
149.05971	10.1
151.03862	7.3
151.07497	7.5
153.01848	78.3
153.02927	4.6
153.05411	7.3
153.62129	2.9
157.06485	9.9
159.08072	5.5
160.05171	3.8
161.05997	5.9
163.03923	34.6
163.07529	10.9
165.05475	3.3
167.07045	26.3
171.06456	7.2
174.06767	5.7
175.07541	24.7
177.05479	36.2
181.04976	100.0
181.08498	4.5
182.05211	2.7
183.06528	10.7
187.07462	4.2
188.08325	3.2
188.30667	2.6
189.07323	2.6
189.09036	14.9
191.03409	47.8
191.07080	3.7
201.09111	4.9
206.07483	3.5
207.10065	3.4
209.08081	54.1
209.09933	3.9
211.07631	3.5
213.88574	2.6
217.08646	7.1
219.02867	7.8
219.08096	5.0
219.10158	44.1
225.09106	2.9
234.06674	3.0
237.03926	28.2
238.09605	2.8
240.07816	2.8
249.09099	9.0
251.07104	2.5
251.10793	3.3
253.08540	8.2
253.12349	4.0
257.08725	3.6
261.09103	4.2
277.08682	12.5
279.10101	4.4
281.08090	3.3
281.11688	4.2
283.09833	6.6
293.11905	3.1
295.09476	3.7
297.11157	2.8
298.52051	3.1
299.12585	2.7
309.11185	9.1
311.09448	2.9
311.12900	4.7
313.10812	5.5
313.14276	3.8
321.11050	4.1
327.12326	14.9
339.12445	12.7
341.13766	5.8
353.13742	4.0
359.14828	16.6
371.14920	13.4
389.04895	4.9
389.15887	46.4
389.20767	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	389.1598
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03942	1.6
55.01873	40.2
58.62130	1.1
65.03936	9.2
66.04741	1.1
67.05497	4.3
69.03439	2.3
69.26835	7.8
69.27241	2.4
76.89163	1.1
77.03918	1.2
79.05481	5.3
81.03400	1.7
81.07043	1.5
82.04195	4.3
85.02922	7.3
91.05479	3.2
93.03408	1.7
93.07060	2.8
94.04186	1.5
94.81995	1.2
95.04960	5.7
95.08589	1.3
97.06528	2.7
103.05480	20.7
105.07040	4.0
107.04962	9.8
107.08631	1.9
108.02074	2.0
109.10130	1.4
110.03658	5.2
111.04453	1.2
115.05454	2.3
117.07014	3.2
119.04978	1.4
119.08605	1.8
121.06506	7.3
122.03637	3.5
123.04433	8.1
124.05161	1.3
125.06027	4.0
128.06192	2.5
129.07008	9.4
131.04930	20.9
131.08542	1.2
133.06560	1.4
133.10123	1.6
135.04453	1.6
135.08046	1.7
137.05986	34.9
138.03165	1.7
139.03888	5.7
142.02582	3.3
143.08574	1.6
145.06487	3.7
147.04378	2.4
149.05977	12.0
151.03905	6.8
153.01834	7.1
153.05475	4.9
155.07025	1.6
156.30042	1.1
157.06445	7.1
159.04326	1.6
159.11754	1.0
160.05205	2.8
161.06007	3.6
163.03928	5.3
163.07596	6.8
163.94270	1.1
165.05473	1.8
167.07033	24.8
171.06549	4.5
173.05974	1.6
174.06799	3.9
175.07559	12.1
177.05478	40.3
177.09087	2.3
181.04964	100.0
181.08426	2.7
183.06538	3.3
187.07599	2.1
188.08366	1.1
189.07489	1.4
189.09103	9.7
191.03487	2.6
191.07068	3.8
193.08665	2.2
199.07590	1.5
203.08751	1.5
205.08644	3.1
206.07314	1.4
207.06581	1.7
209.08093	58.2
210.08495	1.7
217.06871	1.2
217.08531	6.8
218.07292	1.7
219.08192	1.5
219.10144	3.1
221.09839	1.4
221.11729	2.6
234.06752	2.9
235.09650	2.0
237.03897	2.0
248.08339	1.3
249.09035	3.3
261.09146	3.9
262.06482	1.5
277.08582	7.6
279.10205	1.8
293.11716	2.9
309.11310	3.8
311.09109	1.2
313.10742	1.3
321.11414	2.5
339.12433	6.5
340.12610	1.2
341.13861	3.7
353.13846	2.0
359.14893	3.6
371.15140	10.6
372.15457	1.2
389.15952	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1597
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03942	5.7
53.31458	1.7
54.82442	1.7
55.01629	3.3
55.01876	35.8
55.05503	2.7
56.25253	1.6
57.03429	2.0
57.91594	1.7
60.93465	2.0
65.03940	12.5
67.05521	9.3
69.03438	9.1
69.07072	5.2
70.06591	2.0
71.04976	3.9
72.08158	1.7
76.38854	1.6
79.05489	9.3
81.03446	3.9
81.07055	7.6
82.04197	5.3
85.02917	11.2
85.06538	3.1
86.09683	2.3
91.05484	11.6
93.03397	3.5
93.07053	8.0
94.04209	2.0
95.04980	9.7
95.08602	7.3
97.02908	4.3
97.06521	5.6
97.10134	2.9
99.04458	2.9
103.05474	18.6
105.04525	2.1
105.07032	7.5
106.24269	2.1
107.04951	11.0
107.08578	7.8
108.02081	1.9
109.02876	3.5
109.06547	4.8
109.10162	4.3
110.03684	4.3
111.04444	4.3
117.03469	2.4
117.07001	5.9
119.04963	5.8
119.08588	4.4
121.06486	7.9
121.10138	3.8
122.03652	3.3
123.04459	12.0
123.08103	4.2
123.11715	3.4
125.05967	4.0
127.03899	2.4
128.06197	3.6
129.07008	9.1
130.49881	2.0
131.04930	18.6
131.08562	4.7
132.05716	2.9
133.10146	5.1
135.04459	2.1
135.08075	4.5
137.05989	37.0
139.03900	5.6
140.04710	2.1
142.02684	4.6
143.08554	2.9
145.06496	8.4
145.10144	2.9
147.04419	5.7
147.08107	1.9
147.11688	3.2
149.05983	11.5
149.09628	2.4
151.03897	7.6
151.07567	21.2
151.11197	2.3
153.01816	8.7
153.05428	3.3
155.07158	2.2
157.06487	8.1
159.04396	2.1
159.08040	2.8
160.05202	4.2
161.05916	4.9
163.03862	2.4
163.06248	1.9
163.07524	12.0
165.05505	2.4
167.07056	27.1
169.12485	1.8
171.06512	6.2
173.06004	2.9
174.06732	5.7
175.07561	53.9
177.05484	36.0
177.09062	2.7
181.04968	100.0
183.06558	12.3
187.07588	3.4
189.09128	12.1
191.07036	3.2
193.08585	4.5
195.10193	21.4
201.09152	5.2
205.08508	2.0
207.06435	2.1
209.06096	2.6
209.08090	54.5
209.17319	5.5
217.08583	5.4
218.07339	2.2
219.08098	3.4
219.10156	25.4
221.07944	2.8
226.18015	5.8
227.18347	12.2
234.06818	2.8
235.09570	4.3
249.09172	3.6
259.05661	1.9
261.09186	2.7
277.08643	7.5
278.09259	2.5
293.11429	2.2
309.11090	3.6
321.11111	2.6
339.12271	6.8
341.13788	4.3
353.28671	1.9
357.13364	2.6
359.14841	4.2
371.15033	10.6
389.16043	48.6
389.24063	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	389.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
51.16892	0.4
55.01890	0.4
55.05505	0.7
65.03947	4.3
67.05509	1.1
68.99801	0.5
69.03432	0.8
69.07072	0.8
70.06595	0.6
71.05016	0.5
71.50776	0.5
79.05502	1.2
81.03436	0.7
81.07047	1.2
83.04974	1.4
85.02901	0.8
86.09727	1.6
91.05486	100.0
92.05798	0.6
93.03424	0.6
93.07065	1.5
93.60672	0.4
95.04966	1.0
95.08627	1.0
97.02919	0.5
99.04488	0.4
103.05499	0.9
105.07047	1.7
107.04958	0.7
107.08580	1.4
107.37312	0.5
109.02902	0.6
109.06519	0.6
117.07007	0.6
117.34272	0.5
119.08610	0.5
120.08131	0.5
121.06476	0.9
121.10151	1.0
123.04433	1.3
125.09626	0.5
129.07033	1.0
131.04944	1.0
131.08632	0.7
133.10048	0.6
135.04436	0.6
135.08076	0.9
135.11746	0.5
135.68951	0.4
137.05960	1.9
139.03920	5.4
143.08553	0.6
145.06490	0.5
147.04359	0.7
149.02353	2.7
151.03905	6.8
151.07590	0.6
153.05492	0.6
159.08058	0.6
161.02422	0.8
161.05966	0.5
163.03951	1.4
163.07605	0.6
167.03429	2.6
167.07100	1.2
168.04218	0.5
175.03975	0.5
175.07576	2.5
177.05565	0.5
179.03462	0.7
179.14372	0.5
181.04990	1.7
183.06523	0.8
189.05495	0.9
191.03531	0.7
191.10722	0.9
191.14412	0.5
203.03448	1.2
207.06543	1.1
209.08284	0.5
209.15404	0.7
215.03430	0.8
219.10136	2.2
221.11781	3.0
227.07019	1.4
231.02774	0.5
233.04489	1.8
237.09100	0.5
239.07030	2.7
243.91931	0.4
245.04514	1.4
251.07120	1.3
257.08133	2.3
263.05481	0.7
281.06552	0.6
293.08093	6.9
311.09131	2.1
319.08203	1.3
323.09186	7.3
335.09137	5.1
353.10205	6.1
371.11292	1.9
389.12265	0.7
389.16760	0.8
389.25128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1617
Annotation	benzyladenine-9-N-glucoside
Peak:m/z	Relative Intensity
53.03926	0.2
55.01883	0.3
57.03437	0.6
61.02929	0.7
65.03935	0.6
69.03432	2.3
70.58645	0.2
70.90541	0.6
71.04983	0.3
71.12199	0.2
73.02917	0.6
81.03413	0.7
85.02909	2.7
91.05482	62.7
92.05826	0.9
109.02891	0.4
121.06505	0.3
123.08062	0.3
127.03883	0.4
145.04994	0.3
148.06198	1.6
151.07536	0.5
163.11205	0.3
200.85941	0.2
207.13820	0.3
208.04300	0.3
208.14182	0.5
209.08211	0.9
226.10878	100.0
227.11206	2.4
260.19214	0.2
268.11984	0.4
388.16156	33.2
389.16473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68806	2.5
65.03933	5.8
67.05496	3.3
69.03423	8.2
69.07070	3.1
70.56139	3.7
70.56467	4.1
71.67024	2.6
79.05480	2.9
81.07052	5.3
83.04978	3.0
85.02907	3.2
86.09715	6.8
91.05484	100.0
93.07052	5.2
95.05005	2.4
95.08606	4.2
99.30600	2.4
105.07049	5.5
107.08575	3.9
112.72051	3.2
119.08624	2.5
121.06499	3.6
121.10155	3.6
123.08061	2.3
125.09632	6.0
133.10150	2.7
137.05975	4.1
145.10146	3.7
146.11835	2.5
147.11646	2.6
149.02316	3.4
149.76823	3.0
151.03903	3.5
153.01854	3.3
167.03430	3.5
167.07021	2.9
173.13220	2.6
191.14301	16.8
209.15413	13.1
219.10175	4.2
228.94431	2.7
233.04422	2.8
239.07118	2.7
293.07983	3.2
323.09131	7.1
325.17365	3.6
335.09222	5.0
353.10400	3.7
388.20694	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	388.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	4.9
69.03448	4.5
70.06602	4.2
71.51170	2.3
79.05503	7.8
80.38134	1.9
81.03430	3.6
81.07067	7.3
83.04988	3.4
84.08129	2.0
85.02917	9.8
91.05492	22.2
93.07056	6.0
95.06130	2.0
95.08625	4.0
96.85967	1.8
97.02869	3.0
105.07040	27.8
107.08622	11.1
109.06530	2.8
115.05495	2.1
116.06258	3.0
117.06972	9.3
119.08594	33.4
121.06512	6.2
121.10159	6.6
123.08118	9.2
124.08405	4.8
127.03913	3.7
129.07005	10.2
130.07726	2.6
131.08582	29.6
133.10132	8.2
135.08084	5.9
139.03940	16.2
143.08566	23.1
144.09349	7.7
145.05019	3.9
145.10150	19.3
147.11710	24.8
149.02315	3.5
149.13304	2.7
151.03922	4.4
158.10945	23.4
158.88881	2.2
161.09695	2.3
163.03935	3.7
164.07120	5.5
173.13281	100.0
175.14868	4.0
191.14316	65.4
208.14209	4.0
226.10912	12.8
291.75775	2.0
370.48416	2.2
388.16238	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	388.1058
Annotation	Pyraclostrobin
Peak:m/z	Relative Intensity
50.38948	1.0
55.05519	1.8
65.03955	1.3
67.05473	1.7
70.79169	3.2
75.04478	1.2
79.05491	1.8
81.07057	2.8
91.05489	6.1
93.07044	1.9
95.04971	1.6
95.08572	1.9
104.04997	10.1
105.05779	24.4
105.06989	2.9
106.06567	3.6
107.07298	2.0
107.08523	1.2
107.74017	1.1
108.04539	1.2
109.06502	1.3
116.04906	1.1
117.05748	2.4
118.06540	5.5
118.07279	1.8
119.03673	10.8
119.08588	1.6
120.04475	13.2
120.76065	1.2
121.06544	3.7
121.40980	1.1
121.73486	1.2
123.06862	3.1
130.02928	2.0
132.04465	20.5
133.05244	36.7
134.02362	2.2
134.06050	12.1
140.36633	1.1
143.08597	1.8
145.10156	2.0
146.06038	2.8
149.04726	45.0
149.05928	2.4
162.05515	21.5
163.06296	100.0
164.07082	49.2
174.05438	1.2
186.13571	1.3
194.08138	44.2
216.47446	1.3
218.08362	2.2
243.07826	1.5
253.05331	3.3
261.09100	1.9
296.05856	18.1
324.05447	2.2
352.23651	2.0
370.24756	6.9
388.25583	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	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.01857	7.6
57.03423	6.0
61.02919	8.0
67.05510	3.2
68.99773	2.1
69.03091	2.3
69.03433	34.8
69.07058	2.2
70.06596	2.0
71.04995	8.2
71.51786	3.6
72.08157	2.1
73.02921	6.0
81.03415	19.7
81.07053	5.0
82.07384	2.0
82.10339	1.7
85.02908	100.0
87.00832	36.7
91.05504	3.0
91.75539	2.2
95.04942	2.1
95.08591	2.6
97.02899	26.9
99.04465	19.4
105.01865	54.9
105.07030	17.9
107.04948	1.8
107.08586	4.6
108.04472	3.0
109.02887	29.1
115.03894	2.0
117.01874	2.0
117.07012	2.0
121.10120	2.3
123.08064	6.6
123.11739	2.3
126.05490	1.8
127.03922	65.6
129.01848	3.2
135.08113	2.6
139.03900	8.6
140.04182	3.5
145.04979	32.3
145.10147	2.0
147.02866	3.4
147.11688	4.0
149.05940	2.4
151.03923	8.2
151.07533	2.5
152.07867	3.0
159.02884	15.1
163.03906	4.9
164.04187	3.0
164.07114	3.2
164.11577	2.4
165.12776	1.8
166.13120	3.1
172.28444	1.7
173.13229	3.0
183.13782	2.3
186.07553	1.9
189.04018	2.4
194.63708	1.7
207.13864	2.5
208.14142	8.0
213.03926	2.8
220.10556	2.1
221.11678	2.2
227.16457	5.1
230.06609	2.8
231.04988	19.0
248.64647	2.1
249.06056	5.6
319.39105	1.8
325.80957	2.2
369.03772	2.0
388.11279	2.5
388.15875	2.6
388.20761	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2016
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03956	8.5
61.02917	8.7
62.42650	6.5
64.62645	6.7
64.89869	6.3
67.05492	9.6
69.03436	42.8
69.07067	8.1
69.40348	17.0
69.40770	38.1
70.06590	11.7
71.04955	8.0
72.08121	8.8
79.05489	13.4
81.03410	16.2
81.07056	24.6
83.04991	6.5
85.02908	70.1
86.09680	10.5
93.07029	9.2
95.04957	9.9
95.08600	11.8
97.02885	23.1
99.04430	9.2
105.07038	19.6
107.04971	10.2
107.08586	14.7
109.06498	14.2
109.50737	7.6
118.28940	6.4
119.08546	14.6
121.06511	12.4
121.10155	15.1
123.08086	48.2
125.05987	7.7
127.03922	26.8
133.10117	9.5
135.04459	6.9
136.10614	6.3
137.06003	11.3
137.09601	7.3
139.03899	29.4
139.11218	7.6
139.31726	6.6
145.04985	20.3
147.11681	11.7
151.03918	26.8
151.07559	70.9
163.03960	12.9
163.11230	40.3
181.12216	26.3
189.12814	35.2
196.53770	7.6
207.13797	100.0
219.10130	13.6
225.14899	28.6
241.41757	6.7
259.77609	8.2
387.15714	14.3
387.19916	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
56.93632	14.2
66.68813	12.3
69.03428	60.6
69.07068	20.1
70.13622	38.8
79.05453	15.0
79.22086	11.6
81.07076	16.2
83.29578	11.6
85.02888	42.9
88.40502	12.8
93.07041	19.2
97.02894	18.2
105.07037	16.6
119.08630	18.9
121.06541	27.8
127.03903	15.9
133.10106	34.2
137.09621	16.2
139.03896	44.3
147.11592	21.0
151.03877	16.2
151.07535	44.5
163.03868	15.6
163.11203	17.8
177.51033	12.0
189.12796	29.3
206.95940	15.4
207.13817	100.0
219.09906	18.2
225.14879	39.0
233.65366	12.8
288.11209	15.3
387.19504	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2012
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
53.03944	3.4
55.01863	4.7
55.05512	3.0
55.16369	1.7
57.03434	6.4
57.07067	2.0
57.69431	1.1
59.04999	2.7
61.02927	8.4
66.94053	1.3
67.05489	3.8
69.03433	29.0
69.07063	2.7
71.05014	2.8
71.06187	3.0
73.02908	4.5
73.88995	1.2
79.05486	3.2
81.03416	11.6
81.07053	5.5
82.11858	1.6
82.84213	1.4
83.01342	1.9
83.04986	3.8
83.08621	1.7
85.02906	73.6
85.06528	1.8
87.04478	7.3
91.03957	4.5
91.05473	1.6
93.07032	4.1
95.04964	2.5
95.08603	8.2
97.02897	23.3
97.06525	3.9
99.04459	7.1
105.07050	8.0
107.05004	1.8
107.08578	4.8
107.59201	1.4
108.05721	1.7
109.02897	7.1
109.06545	2.1
119.08562	4.4
121.06484	4.1
121.10143	3.6
122.07308	1.6
123.08070	56.3
125.05988	6.6
127.03925	20.2
131.08537	2.0
133.06497	3.1
133.10120	4.2
135.11687	3.5
145.04976	29.6
145.10123	2.7
147.11649	3.3
149.09630	2.6
151.07550	100.0
153.09120	3.0
161.13264	1.9
163.05948	1.9
163.11185	54.9
165.12737	1.8
168.66405	1.5
171.11671	1.7
181.12231	28.4
189.12737	21.2
191.14339	2.3
207.13809	59.3
208.14151	1.7
209.15387	4.4
225.14870	9.7
228.11461	1.5
251.57076	1.8
275.93912	1.4
387.20135	42.0
388.20544	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2016
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
50.42270	2.7
53.03947	3.8
55.01865	2.4
55.05515	3.4
57.03429	10.4
57.07069	4.8
59.05012	2.9
61.02939	13.4
61.62261	2.5
67.05509	5.3
69.03431	39.1
69.35070	2.5
71.04997	5.6
71.42316	3.1
73.02910	6.9
78.00922	2.4
79.05507	6.1
81.03405	16.9
81.07051	11.3
83.04968	6.5
83.08582	2.8
85.02908	90.4
85.06541	2.7
87.04486	6.7
91.03960	7.3
91.05512	4.6
93.07036	5.4
95.04982	3.1
95.08607	12.7
97.02886	30.5
97.06536	9.5
99.04469	5.8
105.07040	14.2
107.08583	8.7
109.02876	9.3
109.06513	9.5
119.08577	11.1
121.06463	3.7
121.10143	11.6
123.08067	57.5
125.05993	9.8
127.03939	26.8
131.08548	3.4
133.10139	6.0
135.11685	5.6
137.09601	4.2
145.04964	38.0
145.10129	5.5
147.11655	9.3
151.07558	100.0
151.11217	3.2
153.09082	3.7
161.13264	5.0
163.11194	48.1
164.19214	2.9
165.12820	4.4
181.12259	38.6
189.12766	28.1
191.14297	7.6
207.13806	77.3
209.15384	9.4
225.14873	58.9
226.69528	2.9
387.20190	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2017
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03925	1.7
53.67866	1.3
55.01868	1.9
55.05507	3.6
57.03437	4.9
59.05002	2.5
61.02930	4.6
67.05501	5.6
69.03425	10.5
69.07075	2.9
69.45017	2.5
69.45428	6.6
73.02928	2.2
79.05502	6.4
81.03413	4.8
81.07055	5.1
83.04966	5.1
85.02911	23.7
91.03987	2.3
91.05489	6.2
93.07035	6.9
95.04961	2.8
95.08620	6.8
97.02899	7.1
97.06530	2.6
99.04505	2.0
99.08110	3.4
105.07040	21.4
107.04961	2.8
107.08591	6.0
109.02894	3.7
109.06535	10.7
109.10156	3.5
111.04468	3.7
117.06982	1.8
119.08587	18.8
121.06519	4.2
121.10162	6.3
123.04468	2.2
123.08073	100.0
127.03944	4.1
133.10150	3.9
135.04393	1.5
135.08049	4.6
135.11749	2.4
139.03906	11.3
145.04974	4.2
145.10133	2.9
147.11700	29.2
149.05963	1.5
149.09647	7.4
151.03938	12.9
151.07542	7.8
151.11194	5.7
163.03922	4.0
163.11247	4.4
165.12758	23.8
167.06989	1.8
167.10683	2.4
177.12772	2.1
181.05066	2.8
181.12262	7.5
189.12805	3.0
203.29681	1.5
207.13794	38.0
219.10182	11.7
225.14835	17.6
315.32025	1.6
364.23325	1.7
387.19873	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	387.1441
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03946	0.5
55.01873	0.8
55.05514	0.5
55.78051	0.3
59.05015	0.8
60.12821	0.3
65.03941	1.7
66.04681	0.4
67.05492	1.6
68.91189	0.4
68.99786	0.6
69.03419	0.5
69.07083	0.4
70.06340	1.3
79.05512	1.9
81.03411	0.4
81.07043	1.4
85.02905	1.7
88.56578	0.4
91.05494	2.6
92.29866	0.4
93.03428	0.5
93.07030	1.0
94.04196	2.6
95.04955	1.1
95.08620	0.7
97.06532	1.1
100.87083	0.4
103.05467	6.2
105.03410	0.9
105.07021	1.2
107.04967	1.5
108.02122	1.0
109.06512	0.7
110.03683	0.7
111.04453	0.5
115.05465	2.6
117.07038	2.3
118.04165	1.1
119.04944	0.7
119.08549	0.5
121.06512	0.5
121.10141	0.4
122.03653	7.7
123.04423	1.2
123.08060	0.5
123.11726	0.4
124.05255	0.4
125.06002	0.7
130.04111	0.5
131.04942	5.5
133.02873	1.0
133.06500	1.2
135.04413	0.6
135.08064	0.8
137.05984	100.0
138.03229	0.5
138.06311	0.8
139.03937	2.4
142.02579	0.6
143.04942	2.4
143.56313	0.4
145.06480	2.6
148.05188	4.1
149.47099	0.4
151.03923	17.3
151.05002	1.2
151.07568	0.5
153.01830	0.7
153.05420	0.8
155.06036	1.2
157.06432	0.4
159.04385	0.4
159.11790	0.5
161.05978	1.1
163.03923	0.7
163.07556	5.8
165.05400	0.5
165.09122	0.9
167.07048	11.3
171.06561	0.7
173.05998	3.9
175.07567	1.2
176.04710	0.9
176.60571	0.4
181.04970	26.6
187.07579	0.5
191.07034	21.3
193.04991	0.5
193.08618	0.6
203.07030	2.3
205.08597	2.8
209.08134	0.7
219.02893	0.6
219.10139	0.9
221.08186	0.5
233.08061	1.6
235.09676	2.7
251.06900	0.4
255.06662	0.5
263.09201	0.4
299.12906	0.8
309.11343	0.5
318.03775	2.8
319.04352	1.9
325.10721	0.5
327.12338	0.9
337.10550	0.4
351.12485	1.1
355.11874	1.2
357.13339	12.1
359.14746	0.7
369.13373	1.0
387.14401	28.2
388.14612	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	Magnolone
Peak:m/z	Relative Intensity
51.02381	0.6
53.03946	0.9
55.01864	0.8
55.05508	0.9
62.70015	0.4
65.03936	1.9
66.04705	0.5
67.05492	1.4
69.03432	0.5
69.07049	0.5
69.68867	2.2
79.05496	2.0
79.47884	0.4
81.03375	0.6
81.07052	0.9
82.04214	0.7
83.08606	0.5
85.02921	1.4
91.05488	2.2
93.03429	0.7
94.04193	3.1
95.04976	0.9
98.20786	0.8
101.73418	0.4
101.90553	0.4
103.05471	6.9
105.03403	0.5
105.07022	1.3
107.04974	2.4
108.02071	1.0
109.06493	0.5
110.03692	1.0
115.05472	2.9
117.07008	2.2
118.04177	1.4
121.06511	0.7
122.03653	11.0
123.04443	1.0
125.05994	0.7
131.04944	6.4
133.02902	0.9
133.06505	1.2
137.05983	100.0
138.06306	1.0
139.03889	0.9
142.02634	0.9
143.04919	3.5
145.06496	3.0
146.03612	0.7
147.08026	0.6
148.05202	3.9
149.05989	0.7
151.03918	17.8
151.05038	1.8
153.05473	0.9
155.06084	0.9
157.04083	0.4
161.05978	1.0
163.03932	0.7
163.07547	6.5
165.05563	0.4
165.09210	0.5
167.07054	10.8
171.06653	0.5
173.05980	3.8
175.07523	1.3
176.04688	0.7
181.04968	20.6
182.05225	0.4
191.07039	21.2
193.08611	0.6
203.07047	1.9
205.08644	1.8
207.10168	0.5
209.08092	0.8
219.10103	0.7
220.07317	0.5
233.08115	1.7
235.09654	1.9
263.09296	0.4
293.08307	0.5
351.12183	0.5
355.11923	0.6
357.08981	0.7
357.13379	11.8
369.13239	0.6
387.14420	23.6
388.14954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	2.9
61.02936	1.3
65.03943	1.3
69.03431	4.2
69.88644	5.9
70.06594	4.3
71.08595	1.3
72.08148	3.3
73.02922	1.2
73.28079	1.1
74.02444	16.2
81.03423	3.7
81.04530	5.4
81.07072	1.6
84.08149	3.3
84.96104	1.3
85.02919	9.0
88.03994	4.9
88.11302	2.6
91.03987	1.2
91.05477	2.3
91.84905	1.1
92.05006	4.3
93.07001	1.2
97.02899	5.4
98.21551	1.2
98.97626	3.3
99.97490	1.1
107.04937	1.2
108.04516	1.9
109.02947	1.4
110.06052	100.0
116.03477	1.5
116.98629	2.0
121.06530	1.9
123.04446	1.6
124.03922	1.6
127.03948	2.0
127.05033	1.6
132.95850	1.5
134.05998	6.0
136.03952	2.2
137.05962	2.3
139.03903	7.7
150.05472	1.5
153.01840	8.3
154.02106	1.6
161.06021	1.6
161.07062	6.8
167.07056	35.0
176.62962	1.1
179.08180	9.7
179.11844	4.2
180.06664	1.5
189.05838	1.1
190.05083	2.1
190.08749	1.4
192.06648	1.3
193.08636	1.4
198.07693	1.5
199.94821	1.2
207.07661	10.4
211.09761	1.4
219.01881	1.1
223.04301	3.1
224.94872	1.5
225.08733	44.9
225.12134	9.9
234.99040	2.1
237.02841	1.4
242.98412	1.8
266.95816	1.7
267.09778	3.1
299.55783	1.3
303.09595	1.9
305.09225	1.4
387.12234	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
54.67461	0.9
55.01871	1.3
55.05511	7.1
57.03432	1.6
57.07073	13.8
59.04976	1.8
61.02917	2.4
64.05548	1.0
68.68347	1.0
69.03436	5.5
69.07074	1.4
69.16338	3.8
69.16761	7.2
70.06585	2.8
71.63863	1.1
73.06564	1.8
79.05479	2.2
81.03406	2.4
81.07066	1.4
83.08626	3.0
85.02905	18.0
86.32198	1.1
89.06034	75.2
90.06345	1.2
91.05495	2.4
93.07085	1.8
95.04971	1.5
97.02890	4.9
101.09663	12.7
105.07028	1.9
107.04971	1.6
107.07043	2.2
109.02862	3.2
111.05563	1.3
114.05508	1.2
114.09181	2.1
119.04977	2.6
119.08628	1.3
119.10724	1.8
121.10214	1.4
127.03901	2.9
133.08612	21.7
133.10132	1.6
135.04411	1.9
139.03922	4.3
145.04953	3.5
145.12238	13.7
147.04420	7.5
147.11752	1.5
149.05908	1.2
151.03918	4.3
151.07596	2.0
151.09654	31.2
153.01813	1.4
161.02296	1.3
161.05992	1.8
163.03943	2.6
165.01874	4.1
177.01839	3.1
179.03444	1.4
191.03523	1.2
205.04984	2.1
207.14030	3.9
207.15919	100.0
208.16315	2.0
210.29884	1.2
219.10176	4.9
220.06018	1.7
266.06589	4.5
285.75058	1.3
368.15045	1.4
386.11496	6.2
386.16589	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	387.1288
Annotation	Axitinib
Peak:m/z	Relative Intensity
53.03936	0.4
55.05495	0.2
61.34434	0.2
63.60389	0.2
65.03886	0.3
69.03411	0.4
70.06586	0.2
70.56443	0.5
72.08161	0.4
78.04708	1.6
79.05510	1.0
81.07051	0.2
82.66750	0.2
84.08115	0.3
85.02887	0.8
86.09689	0.5
91.05490	1.0
93.07029	0.7
95.01334	1.6
95.04956	0.6
97.02878	0.3
103.05465	0.5
105.07008	0.9
106.02924	0.5
106.04142	1.3
106.73409	0.2
107.04961	1.6
109.02881	0.2
114.76637	0.2
120.39729	0.2
121.06506	0.9
122.03662	0.3
123.04435	4.3
124.03958	1.6
124.05267	1.3
133.06493	0.9
134.03658	0.2
136.07582	0.3
141.01788	0.6
149.05978	1.6
151.03963	1.2
152.04649	1.3
161.05972	0.8
166.06314	0.3
167.07043	100.0
168.07387	1.2
177.03839	0.2
179.06990	0.4
181.08606	1.7
193.08606	4.1
207.13918	0.3
211.09645	3.0
229.85013	0.2
268.08163	0.8
387.12006	0.2
387.16269	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
58.06597	1.4
61.02914	2.2
67.57372	0.7
69.03428	5.6
71.00468	1.6
71.45645	0.7
79.05457	1.8
81.03417	2.0
85.02438	1.1
85.02911	15.0
91.05492	3.8
97.02891	4.8
99.06831	0.8
103.05473	4.1
105.07035	15.6
107.04926	1.0
109.02866	1.7
118.06531	6.9
120.08115	11.8
127.03896	1.8
128.06232	2.7
130.06540	1.2
131.04909	2.7
131.07240	1.0
131.73001	0.7
132.08089	1.2
143.08524	2.3
145.05034	1.7
160.11229	66.2
161.11598	1.8
166.76332	0.8
167.07030	3.9
168.47212	0.7
178.12276	49.1
204.67235	0.8
206.11771	8.8
218.15732	0.8
224.12819	100.0
225.13148	2.2
350.15814	1.9
372.78131	0.8
375.62527	0.8
386.17780	2.8
386.22156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
55.05516	0.6
56.05039	0.9
59.05007	0.4
62.99063	0.4
67.05511	0.9
68.05044	0.5
69.03423	1.2
69.07102	0.5
69.28824	0.9
69.29232	3.0
70.06589	1.7
72.08150	0.5
72.90910	0.3
73.01147	8.7
73.02914	1.1
74.06090	1.0
79.05501	0.9
80.05007	1.0
81.07050	1.2
82.06550	0.8
83.04988	0.5
84.08150	0.7
91.02180	4.4
91.05497	1.0
93.07046	1.6
95.08591	1.2
96.08122	1.1
97.02898	0.5
97.06541	0.6
98.06062	1.5
98.09685	0.5
101.00611	0.6
103.05438	0.5
105.07027	0.4
107.08594	1.3
108.08092	2.9
109.02857	0.5
109.10159	0.8
109.35950	0.4
110.09698	2.3
119.01649	100.0
119.08575	0.7
120.06599	0.4
121.06508	0.6
121.10158	0.9
122.02760	0.6
122.09659	1.1
123.10424	0.9
123.11705	0.6
124.07626	0.6
124.11198	0.7
126.20135	0.4
133.10127	0.5
135.11685	0.5
137.02670	0.8
137.05994	1.1
139.03868	0.6
142.08684	1.1
147.11676	0.5
150.12785	2.4
151.03903	1.6
152.14354	62.7
153.01846	0.4
153.14751	1.0
154.15897	1.3
161.06006	0.7
162.06384	0.4
163.03987	0.5
181.04938	0.5
191.03741	8.6
196.16980	32.7
197.17389	0.4
219.10234	0.8
229.58919	0.5
264.82950	0.4
266.17609	0.5
270.59521	0.4
318.30737	0.4
333.05838	0.4
342.17343	26.2
343.17511	0.6
344.18832	0.5
386.19995	42.3
387.14832	0.9
387.20248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	64.9
57.03196	2.1
57.03445	25.9
57.07081	56.1
65.70147	2.0
67.05504	29.4
69.07071	79.2
69.81886	9.7
71.04993	3.0
71.08634	34.8
74.12305	2.0
79.05503	11.3
81.07060	36.1
83.04984	4.6
83.08152	3.2
83.08629	48.1
85.10179	14.7
91.05470	3.2
93.07062	17.7
95.08047	3.3
95.08614	32.5
97.06558	13.2
97.10179	37.9
98.20798	3.3
99.11724	2.4
101.06011	3.6
101.81503	2.1
106.23062	2.2
107.08595	12.7
109.10173	17.7
111.08079	10.4
111.11723	12.6
113.09657	2.5
115.07580	4.5
121.10138	17.9
123.11739	5.1
125.09621	9.7
129.09119	4.3
135.11714	16.8
139.11194	8.8
143.10683	3.5
149.13281	11.1
153.12753	8.3
157.12228	3.5
163.14815	7.9
167.14328	4.8
169.29552	2.1
176.61511	2.4
177.16389	4.6
181.15942	4.0
185.15416	2.5
191.17955	3.5
195.17487	2.6
209.19009	3.5
210.78743	2.0
213.18715	2.1
223.20663	3.3
270.86322	2.1
275.27335	9.8
293.28452	16.6
367.32162	13.5
385.28265	5.7
385.33154	100.0
386.33368	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	386.1601
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
52.67176	0.5
54.03460	0.7
58.06609	0.7
68.99792	1.1
69.54420	0.5
70.06597	100.0
70.66808	1.3
79.05501	0.6
81.07054	0.7
91.00902	0.4
91.05491	1.3
93.07060	0.6
95.04997	0.7
103.05457	0.9
104.07108	1.0
107.05007	1.1
115.20855	0.5
117.99795	0.6
119.04964	1.7
121.02881	1.1
121.06538	2.1
123.04439	11.9
131.04950	0.7
133.30092	0.4
135.04428	1.8
137.05994	0.6
138.25209	0.6
147.04417	6.7
149.06009	6.5
159.04500	0.7
161.06004	0.6
165.05510	3.1
167.07083	1.0
177.05481	62.9
178.05849	1.6
204.06891	0.5
207.06596	1.2
224.16400	1.0
234.11276	4.1
262.22961	0.6
282.01920	0.5
291.43555	0.6
329.06284	0.6
329.10251	12.4
348.32993	0.5
386.16006	39.6
387.16339	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.1
55.01879	27.4
55.05521	95.3
57.03437	23.1
65.03939	6.8
67.05508	72.0
69.03421	13.1
69.07069	29.3
69.96555	17.3
69.96966	7.2
71.04980	12.9
71.08630	17.2
72.08160	4.2
79.05495	57.8
80.74488	4.3
81.03406	18.9
81.07067	71.7
83.04976	28.3
83.08631	48.9
85.02906	14.1
85.06549	7.6
88.07547	4.2
91.05487	40.8
91.85767	5.4
93.07052	57.7
95.04979	99.9
95.08614	46.8
97.06521	20.6
97.10172	48.1
98.21420	6.4
99.04414	10.9
99.08097	14.7
105.07047	50.9
107.04948	18.9
107.08611	62.7
107.61636	5.3
109.06514	15.4
109.10147	24.1
111.04442	34.0
111.08070	17.0
117.07016	12.3
119.08594	31.2
121.06493	11.3
121.10144	26.0
123.08070	12.4
123.11672	8.6
125.05961	5.3
125.09619	52.9
129.05466	5.1
129.07028	9.5
131.08589	26.2
133.10139	21.5
135.08031	16.2
135.11702	24.1
137.09685	4.6
139.03882	6.3
139.11157	6.7
145.10146	33.7
147.08005	9.6
147.11685	12.0
149.02328	9.9
149.09624	44.6
151.11217	5.8
153.09091	11.5
153.12717	5.2
155.08534	4.8
157.10129	8.4
159.11714	8.8
161.09581	10.0
163.11194	44.1
165.12753	7.3
173.09561	5.6
173.11781	6.8
173.13205	6.9
175.11221	4.4
177.12724	8.2
179.10757	5.7
181.12238	7.6
187.11128	6.0
189.11227	57.7
190.11557	5.8
191.10634	7.6
193.05003	13.4
193.12236	8.3
195.13860	9.8
205.12242	11.4
223.13295	72.0
227.12776	18.8
239.07053	5.2
247.20419	4.8
257.19003	12.5
267.09131	4.4
275.20068	95.0
293.21121	100.0
299.60941	5.2
357.13248	8.4
367.24875	34.7
373.75549	4.8
385.09036	15.6
385.13342	8.6
385.18103	5.1
385.26065	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	385.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
53.29177	0.5
55.01879	3.9
55.05504	2.1
57.03434	1.0
65.03913	0.5
67.05502	1.4
68.99825	0.5
69.03429	5.3
69.07048	0.9
70.06588	0.6
71.01339	0.8
71.04991	0.8
71.24284	0.9
71.24624	0.6
71.81072	0.5
77.03918	0.6
79.05490	3.0
81.03404	1.8
81.07047	2.1
83.04974	2.8
83.08611	0.6
85.02901	7.2
91.05488	7.9
93.07056	6.6
95.04977	3.8
95.08624	1.1
97.02882	2.3
97.06517	2.0
99.04455	1.2
101.18980	0.5
103.05477	1.8
105.07014	3.1
107.04970	5.0
107.08587	3.1
108.05753	1.4
109.02869	1.3
109.06520	6.2
109.10149	1.1
111.04449	1.0
111.08088	1.5
117.07010	1.0
119.04949	2.1
119.08623	2.4
121.02903	1.4
121.06507	100.0
121.10104	3.0
122.06834	1.2
123.04435	1.4
123.08074	4.0
125.06013	3.5
125.09567	0.7
127.03053	0.5
127.03885	2.4
129.06969	0.7
131.08583	0.8
133.10159	1.4
135.04424	1.2
135.08044	1.8
135.11670	1.3
137.05978	3.0
137.09616	1.2
139.03905	2.7
139.07535	1.8
145.04988	0.9
145.06377	0.6
145.10123	3.0
147.04402	4.6
147.08038	1.0
149.05989	17.6
149.09627	1.2
151.03928	1.3
151.07533	0.6
153.01907	0.6
158.97148	0.6
159.07915	0.5
159.11702	1.2
161.06004	1.2
161.09616	1.3
163.03960	1.4
163.11182	40.1
164.11499	1.0
165.05547	0.8
165.09126	0.9
167.07022	5.4
172.08858	0.9
175.11180	0.6
177.05399	0.6
177.12788	1.4
187.11256	2.8
189.08994	0.6
189.12726	0.6
190.09840	1.0
191.06999	0.7
193.08667	0.7
193.12340	0.5
205.12245	45.0
206.12503	1.0
219.10146	0.8
223.09477	2.6
223.13223	2.7
233.08266	0.6
293.10242	0.5
311.11499	0.8
339.12308	0.5
341.13876	0.8
367.11771	0.7
385.13889	2.2
385.18503	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	385.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24567	4.3
53.03945	5.4
54.13005	4.2
55.01876	19.8
55.05513	70.2
57.03442	12.9
59.04997	4.6
66.58070	4.8
67.05510	54.0
67.36658	4.5
68.45947	4.1
69.07075	33.9
69.47031	18.1
69.47443	15.0
71.05003	13.3
72.08144	6.3
79.05486	57.6
81.03416	16.8
81.07058	56.0
83.04996	25.2
83.08617	40.1
85.02910	8.8
91.05496	37.4
93.07044	51.8
95.04970	100.0
95.08634	37.4
97.06512	8.4
97.10149	34.3
99.04452	9.8
105.07034	32.4
107.04961	14.2
107.08597	51.0
109.06528	12.9
109.10152	25.6
111.04433	26.7
111.08073	7.3
117.07048	13.4
119.08604	35.4
121.06526	13.5
121.10132	26.0
123.08039	8.9
125.09647	27.8
129.07027	6.6
131.08578	20.2
133.10126	15.4
135.08078	8.0
135.11703	15.4
139.03908	6.0
143.08452	4.1
145.10185	24.9
147.08076	8.2
147.11702	15.0
149.02306	7.1
149.09637	38.4
153.12761	7.8
159.11740	13.2
161.13268	5.1
163.11218	39.6
175.11125	5.5
188.83954	4.5
189.11246	36.5
193.05003	7.0
197.13210	4.9
202.74078	4.4
205.12251	8.3
223.13292	72.8
227.12831	8.5
257.19202	7.2
267.12399	5.3
273.44366	4.8
275.20087	99.7
293.21152	91.0
334.83453	5.1
367.24838	36.1
385.09186	16.7
385.25650	5.1
390.32434	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	385.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01871	3.2
55.05502	1.7
57.03434	1.2
59.04995	0.8
61.02913	0.6
64.60533	0.8
65.19411	0.6
67.05503	1.5
69.03428	4.8
69.07057	1.4
69.84502	3.3
70.06590	1.4
71.05006	0.8
79.05505	2.7
81.03432	3.1
81.07049	2.0
83.04990	2.5
84.08154	0.7
85.02905	6.4
91.05484	8.2
93.07053	8.1
95.04985	3.0
95.08604	1.8
97.02898	2.2
97.06534	2.1
103.05491	1.0
105.04562	0.8
105.07021	3.4
107.04968	5.7
107.08599	3.7
108.05758	1.1
109.02896	1.1
109.06529	6.4
109.10126	0.9
111.04481	0.8
111.08111	1.2
117.07018	1.4
119.04990	1.1
119.08578	2.5
121.06513	100.0
121.10133	3.4
122.06798	1.3
123.04463	1.3
123.08078	2.2
125.06026	2.9
125.09643	0.8
127.03918	1.9
129.07019	0.8
131.04987	0.7
131.08551	0.9
133.10147	1.2
135.08076	1.3
135.11739	1.2
135.40521	0.6
137.05995	2.5
137.09628	0.8
139.03928	3.7
139.07550	1.8
144.09280	0.8
145.04990	1.1
145.06520	0.8
145.10150	2.3
147.04405	2.4
147.08080	0.8
149.05991	16.4
149.09633	1.4
149.13391	0.6
151.03880	0.8
153.01787	0.8
159.11720	1.9
161.05981	0.8
161.09576	0.9
163.03922	2.7
163.07558	1.1
163.11191	41.3
164.11525	1.5
165.09097	1.0
167.07069	6.2
172.08800	1.0
173.05945	0.7
175.07523	0.6
177.05511	0.9
177.12796	1.0
179.10678	0.7
187.11215	2.0
189.05513	0.8
189.12840	0.6
190.09886	0.7
191.07024	1.2
193.12143	0.6
201.05582	0.7
205.12257	45.9
206.12646	0.8
223.09523	1.2
223.13297	3.5
241.04868	0.8
251.11922	0.7
283.13266	0.7
288.35233	0.6
303.96292	0.6
325.11771	0.6
339.12463	0.9
341.13681	0.9
367.12000	0.9
385.13553	2.3
385.18439	2.3
404.32309	0.6
404.99228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.2
55.01870	7.4
55.05514	10.4
55.46826	1.0
57.03454	6.4
57.53290	1.2
61.02934	11.9
61.43995	1.2
64.09688	1.0
66.61849	1.3
66.71102	1.2
67.05495	5.4
69.03086	2.4
69.03432	33.6
69.07067	4.3
70.06589	4.5
71.04980	2.3
71.50866	2.1
73.02914	4.6
79.05489	12.8
81.03431	14.9
81.07065	8.7
81.50630	1.1
83.04993	12.4
83.08625	2.7
85.02905	69.6
86.09708	1.5
87.04469	7.0
91.03957	4.8
91.05497	13.6
92.98461	1.1
93.07046	11.1
94.02924	2.9
95.04960	14.3
95.08598	8.0
97.02895	25.1
97.06548	6.5
99.04462	6.8
105.04549	2.5
105.07034	7.3
106.99540	1.3
107.04973	1.4
107.08601	8.8
109.02872	9.6
109.06512	9.4
109.10165	2.6
111.04457	1.9
111.08073	3.4
117.06999	1.8
119.08615	6.6
121.06514	91.4
121.10139	8.2
123.04435	2.4
123.08073	81.4
123.11731	1.6
124.07491	1.3
125.05995	2.0
127.03929	18.5
131.08589	2.5
133.10141	4.0
135.04352	1.5
135.08066	8.4
135.11708	4.3
135.23857	1.3
137.05969	5.4
137.09662	6.0
139.03920	5.5
139.07559	22.2
139.52481	1.4
145.04958	14.7
145.10098	3.5
146.06030	1.8
147.11681	3.0
149.05975	6.6
149.09624	38.5
153.01816	3.3
159.11800	3.4
161.06010	2.6
161.09653	5.3
161.13280	1.7
163.03871	4.4
163.07518	4.0
163.11157	10.8
165.09113	17.9
165.12822	1.7
167.07054	5.9
170.99673	1.3
175.11214	1.7
177.12759	23.5
179.10678	16.6
187.11154	2.9
189.12628	1.6
193.12257	1.8
201.05528	2.3
205.12251	100.0
206.12541	1.7
207.13823	21.2
213.05447	1.3
223.13295	30.7
224.13710	1.5
292.86914	1.3
299.05627	1.9
301.12680	2.5
311.11292	3.2
311.66254	1.3
340.38947	1.3
341.10156	4.8
357.13599	2.0
367.17456	1.4
385.05493	3.6
385.13025	7.6
385.18475	24.1
385.24124	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	384.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.7
51.02380	1.3
53.03965	3.1
53.04165	0.6
55.01881	0.8
55.05499	0.7
57.03434	1.6
58.50420	0.6
69.03100	0.5
69.03440	8.2
69.85303	1.0
69.85698	1.6
70.06591	2.3
70.53666	0.6
71.05007	3.4
73.02936	0.9
78.03463	16.5
80.05020	2.1
81.03427	16.4
81.07059	0.5
85.02903	6.5
85.61613	0.5
85.78249	0.5
86.09686	0.7
91.05518	0.6
96.04511	6.8
97.02906	6.6
99.04473	15.5
99.05111	0.9
106.02929	57.6
107.03223	0.9
109.02882	10.3
121.06490	1.0
124.03969	100.0
125.04305	1.3
127.03942	7.4
139.03914	0.9
156.84122	0.6
162.05617	0.6
166.05003	0.8
196.06158	1.0
222.08006	0.7
222.11301	0.8
232.06126	1.8
250.07141	25.7
268.08185	39.9
336.97754	0.6
338.76715	0.6
366.12460	0.7
384.13477	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	384.1879
Annotation	9-(alpha-D-glucosyl)dihydrozeatin
Peak:m/z	Relative Intensity
57.03438	0.3
61.02908	0.4
69.03452	1.7
69.07069	4.5
70.06582	0.7
70.09925	0.9
71.59228	0.3
73.02901	0.4
75.36702	0.3
81.03403	0.5
82.99460	0.3
85.02921	2.1
87.04430	0.5
87.18854	0.3
97.02868	1.3
98.21414	0.4
99.04452	0.5
106.21914	0.3
115.61681	0.3
119.03536	1.0
127.03845	0.4
136.06189	36.3
136.88930	0.3
137.04573	2.8
148.05020	0.5
148.06186	7.3
155.05634	2.6
166.07230	1.2
168.06320	0.3
204.12473	2.3
216.60510	0.3
220.32851	0.3
222.13496	100.0
223.13701	1.2
384.18771	37.8
385.19119	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
53.77165	1.1
55.01875	3.4
56.96571	1.8
57.03432	1.5
58.26881	1.3
61.02925	1.9
61.20120	1.5
69.85192	7.1
69.85471	1.5
70.06601	1.8
72.08167	2.3
78.34569	1.3
79.05487	7.7
83.01319	1.9
85.02898	3.7
88.02229	2.1
91.05470	4.0
95.04967	4.6
97.02925	1.3
98.20858	2.7
98.97546	1.5
103.05477	6.7
105.07041	63.8
107.04956	3.1
109.02861	1.5
111.04454	1.4
115.05464	15.8
116.85556	1.3
117.07024	4.9
118.04182	5.3
123.04447	6.5
124.29402	1.3
127.03935	1.7
129.07010	2.6
130.00233	1.2
131.04929	6.2
133.06508	58.4
134.02716	3.7
134.06915	1.4
135.58168	1.2
136.06165	5.5
139.03928	2.6
140.04642	2.0
143.03337	2.1
143.04996	2.4
143.06068	4.0
145.06485	8.2
147.04398	2.9
151.03912	3.8
153.01823	4.2
155.07057	3.5
157.06497	1.8
161.05998	100.0
167.07045	27.4
169.06458	1.9
173.06006	3.2
175.03874	2.0
175.07574	2.3
179.03531	1.4
181.05000	2.8
187.03888	1.9
187.07460	1.7
189.05527	2.6
190.06245	3.7
191.07056	2.0
193.08627	52.6
194.09178	1.3
201.05455	2.0
205.08653	4.2
206.11838	1.4
207.06589	7.5
215.07051	1.8
217.05081	2.1
219.06564	3.7
220.07330	1.5
221.08118	2.7
223.09572	1.7
229.04950	4.3
231.06592	7.8
233.04594	6.4
233.08083	5.0
235.06004	1.6
235.09674	2.9
245.07956	1.5
247.09836	1.7
249.07854	2.5
251.09135	24.1
253.07634	2.6
261.07697	9.7
263.09094	2.5
273.07715	1.5
275.09125	2.7
277.07162	2.2
289.07019	3.0
293.10153	2.5
305.10278	2.4
307.08054	4.4
316.99628	1.4
378.18616	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.05510	23.2
57.07076	22.1
67.05512	30.6
69.07064	21.9
69.84671	8.1
71.08641	19.9
75.68634	1.9
77.77250	1.9
79.05479	16.7
81.06590	3.7
81.07056	64.3
83.08624	18.7
85.10170	7.9
91.05495	18.9
91.59026	2.1
93.07046	31.6
95.08613	60.6
97.10169	21.2
98.20782	3.0
105.07030	38.2
107.08598	31.8
109.10158	53.0
111.11734	8.5
111.95666	2.2
117.07070	3.4
119.08584	30.1
120.09010	2.1
121.10147	18.2
123.11726	15.1
131.08560	6.0
133.10132	26.1
134.96677	1.8
135.11690	36.5
137.13269	6.3
145.10130	7.5
147.11699	64.4
149.13248	20.3
151.07497	2.6
151.14799	5.4
154.42056	2.0
159.11694	7.4
161.13251	48.5
163.14816	6.7
165.16435	4.9
173.13264	4.2
175.14795	13.7
177.16461	3.8
179.18004	3.3
187.14886	3.6
189.16464	13.3
201.16443	6.2
203.17926	10.3
215.17978	10.8
217.19583	5.8
229.19496	6.0
243.21123	8.7
247.24136	6.6
249.25719	2.3
257.22614	6.7
259.24359	2.6
261.25827	3.5
273.25821	6.8
287.27521	3.0
301.28949	4.9
329.45813	2.2
357.57986	2.3
365.19189	2.3
383.36740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
54.24269	1.8
55.05513	14.2
57.07087	15.0
65.03923	2.2
67.05516	27.2
69.07076	20.8
71.08637	11.3
79.05495	14.9
81.07066	46.0
83.08620	19.6
85.10192	8.8
91.05489	16.7
93.07059	20.8
95.08617	55.9
97.10167	16.8
105.07038	30.5
106.55186	1.7
107.08604	25.6
109.10169	41.6
111.11722	8.0
119.08585	26.7
119.13665	1.8
121.10141	22.0
123.11714	11.9
125.13266	3.4
131.08597	4.3
133.10150	18.0
135.11703	32.1
137.13248	4.8
145.10164	6.2
147.11697	62.6
149.13263	16.0
151.14766	3.5
159.11731	9.6
161.13278	39.1
163.14825	6.7
165.16473	3.5
173.13234	4.9
175.14821	18.4
177.16388	2.5
179.18001	2.9
185.13339	2.6
187.14790	5.4
189.16405	9.7
201.16418	6.7
203.18024	7.2
215.18007	10.3
217.19443	3.2
229.19589	3.1
233.22704	4.4
243.21065	8.6
247.24255	5.8
257.22702	7.2
261.25946	3.0
273.25858	6.5
287.27399	4.3
301.28979	7.1
383.36765	100.0
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
53.03936	5.5
55.01868	4.6
55.05517	17.7
57.03424	5.7
57.07066	13.0
59.04993	7.1
63.85526	2.9
64.55491	3.1
67.05510	46.1
69.03417	12.7
69.07062	12.8
71.04982	7.2
71.51855	2.8
73.95734	3.0
79.05493	41.8
81.03426	4.4
81.07060	37.3
83.04980	7.8
83.08595	4.7
85.06536	4.4
91.05482	48.3
93.06479	6.6
93.07047	100.0
95.04956	29.2
95.08608	42.9
97.06515	12.2
103.05444	5.7
105.07031	78.9
107.04970	5.7
107.08598	41.6
109.06541	24.5
109.10159	34.3
111.08095	9.1
115.05462	5.1
116.06256	4.2
117.06997	17.2
119.08573	56.8
121.06542	15.2
121.10147	47.2
123.08074	31.3
123.11726	4.0
128.06183	9.0
129.06981	14.8
131.08568	35.7
133.06483	13.5
133.10129	37.9
135.08064	20.6
135.11699	8.1
137.05998	4.8
137.09621	12.0
141.07100	6.0
142.07784	20.1
143.08568	24.8
145.06509	3.5
145.10129	34.0
147.08075	29.0
147.11682	18.2
148.08763	3.0
149.09618	29.9
151.07553	46.6
151.11382	3.5
155.08534	7.2
156.09398	6.3
157.10139	37.6
157.50128	3.4
159.08008	9.8
159.11711	15.0
161.09575	24.2
161.13269	6.2
163.11156	9.9
165.09108	43.1
169.10141	7.7
170.10927	4.1
171.11748	8.5
173.09612	9.4
173.11787	4.2
173.13226	8.0
175.11201	19.8
175.14812	9.2
177.09081	15.9
177.12799	3.8
181.10138	4.7
182.11035	4.2
183.11787	8.1
184.12198	3.6
185.09608	3.9
185.13231	20.6
187.11217	8.2
187.14769	3.6
189.12694	10.5
191.14236	3.8
193.10136	3.5
195.11682	6.4
197.13297	8.0
199.14745	4.2
201.12747	11.2
203.14351	35.8
207.13800	13.6
209.15294	6.3
213.12793	4.9
215.14340	6.5
216.14990	5.7
217.12115	4.2
219.13866	4.8
221.15369	85.9
227.14319	3.7
231.13853	4.6
233.15373	8.7
234.16183	16.8
281.18973	6.3
287.19971	8.1
299.20309	6.6
303.19604	10.6
309.18506	5.0
365.24738	13.4
383.25787	78.3
384.07855	3.2
384.26184	3.7
408.82346	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
54.89002	2.5
55.01880	3.5
55.05508	14.7
57.03436	3.6
57.07079	14.5
59.04998	4.0
65.03934	3.5
67.05508	50.1
69.03423	14.2
69.07066	12.0
71.04987	7.5
71.51184	4.3
79.05494	32.0
81.03413	4.0
81.07056	39.2
83.04979	6.4
83.08635	4.4
85.06534	7.3
91.05480	47.1
93.07045	100.0
95.04974	25.8
95.08609	30.2
97.06523	14.2
97.10157	3.3
100.26848	2.2
103.05456	4.1
105.07039	83.9
107.08603	37.5
107.42169	2.6
108.05738	3.1
109.06531	24.4
109.10158	28.6
111.08074	8.7
112.55321	2.6
115.05444	5.8
116.06221	3.2
117.07001	16.2
119.08587	55.6
121.06477	15.5
121.10155	44.4
123.08080	35.0
128.06203	7.9
129.06998	14.5
130.07744	6.6
131.08562	28.6
133.06477	9.0
133.10127	35.1
135.08064	22.9
135.11694	5.8
137.05986	3.3
137.09596	15.2
141.06979	3.0
142.07799	18.7
143.08572	25.7
144.09315	3.9
145.06410	3.4
145.10129	39.8
147.08031	30.8
147.11691	18.0
148.08810	3.5
149.09622	29.3
149.13260	4.3
151.07545	36.6
153.09105	4.5
155.08546	7.1
156.09378	7.0
157.10132	38.2
158.79297	2.8
159.08067	9.4
159.11705	19.4
160.08852	5.9
161.09622	16.7
161.13257	7.0
163.11174	8.8
165.09105	45.4
169.10112	8.0
170.10880	6.6
171.11719	7.1
173.09584	8.3
173.11787	4.2
173.13289	8.3
174.10286	3.6
175.11221	20.9
175.14777	6.5
177.09177	12.7
178.09891	3.6
181.10104	3.6
183.11662	4.7
185.09599	3.5
185.13249	19.5
187.11172	5.9
189.12767	10.6
191.14346	3.3
194.12628	2.7
195.11809	3.8
197.13313	5.8
199.11212	5.2
201.12733	10.2
201.32414	2.5
203.14333	28.4
207.11935	5.0
207.13826	11.2
209.13222	5.4
209.15337	4.8
209.67123	2.6
211.14784	2.9
213.12732	4.9
215.14276	8.0
217.12225	3.0
219.13783	8.0
221.13185	4.7
221.15361	79.6
225.12656	4.5
227.14247	5.2
231.13777	6.8
233.15353	9.8
234.16170	15.2
237.14723	4.6
243.13673	3.5
247.15060	3.1
253.15891	2.9
273.18604	3.5
281.19052	4.3
285.03180	2.8
286.19244	3.6
287.20026	7.4
300.20966	3.0
303.19461	9.3
309.18372	4.1
365.24695	10.1
383.25842	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	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01866	9.6
55.05517	32.0
57.03443	25.2
61.02926	3.4
65.03947	4.2
67.05508	100.0
69.03449	8.1
69.07072	18.4
71.04997	5.4
71.51617	2.7
71.52036	3.7
79.05500	44.6
81.03409	7.3
81.07060	70.1
83.04988	7.2
83.08637	21.2
84.92315	3.3
85.06543	15.4
91.05491	40.5
93.07051	38.2
95.04987	37.4
95.08620	29.1
97.02837	3.2
97.06509	9.9
97.10181	7.8
98.98467	3.8
103.05482	3.1
105.07038	31.8
107.04943	10.5
107.08595	24.2
109.06529	35.9
109.10159	54.8
111.08066	7.2
113.06028	33.8
117.07015	15.1
119.08610	20.1
121.06490	9.8
121.10131	13.3
123.08044	10.3
123.11670	4.1
125.05954	3.2
125.09612	9.8
129.07034	10.6
131.08568	15.9
133.06508	8.7
133.10138	18.5
135.08075	27.7
135.11682	5.1
136.92361	3.3
137.05989	7.9
137.09579	7.2
143.08562	8.2
145.10149	12.9
147.08047	9.0
147.11707	9.0
149.09612	10.4
149.13257	5.7
151.11182	12.9
155.10661	3.6
155.25470	3.4
157.10126	8.2
159.11670	8.1
161.09633	9.5
163.11189	6.3
165.09218	4.3
171.11646	6.1
173.11746	14.5
173.13260	3.5
177.09070	4.0
183.11684	4.6
189.11171	5.6
189.12717	4.5
193.01440	3.4
199.11275	4.0
206.09341	3.2
207.13809	3.2
211.13268	7.8
217.15846	7.4
242.82472	3.4
245.18933	6.6
255.17456	5.4
263.19824	3.7
273.18527	31.7
291.19525	64.6
309.20343	3.8
365.23209	32.0
383.24408	21.2
400.31177	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
53.62083	1.7
55.01880	10.1
55.05513	28.8
57.03433	8.9
57.07082	2.2
59.04996	4.1
59.69328	1.8
61.02926	5.1
65.03947	4.7
67.05511	100.0
68.05825	2.7
69.03431	8.5
69.07066	19.4
69.20084	18.7
71.04980	5.5
72.08167	2.9
73.02905	2.3
79.05501	36.4
79.05953	1.3
81.03432	5.8
81.07059	56.3
83.04985	8.8
83.08616	15.6
85.02887	3.9
85.06541	4.7
91.03973	3.0
91.05485	31.1
93.07058	32.8
95.04983	11.7
95.08615	27.1
97.02891	3.7
97.06521	5.9
97.10147	12.5
99.08080	3.1
105.07040	21.2
107.04948	8.6
107.08592	24.3
109.06511	5.7
109.10162	68.6
111.04446	4.0
111.08058	6.3
117.07024	8.4
119.08592	18.9
121.06503	6.6
121.10191	9.3
123.04450	2.8
123.08088	12.1
123.11697	4.0
125.09637	8.6
129.07013	3.6
131.08592	11.3
133.06532	5.8
133.10150	21.3
135.08055	8.1
135.11694	6.9
137.05940	3.2
137.09628	8.1
143.08597	2.9
145.10092	7.8
147.08054	7.6
147.11664	7.2
149.09630	8.9
151.11188	8.6
155.08556	2.6
155.10632	5.4
157.10124	4.6
159.08086	3.0
159.11696	5.6
161.09572	4.1
163.11185	3.4
165.09119	3.4
169.12292	2.5
171.11702	3.6
173.11784	17.6
175.11214	7.0
177.09155	3.9
189.11200	7.0
193.12309	4.2
208.55019	2.0
211.13266	5.4
223.13234	2.7
227.12784	3.8
237.98933	2.0
245.18997	7.1
253.14360	3.9
255.17531	2.3
263.20093	3.6
273.18451	20.9
291.19547	40.8
291.22543	3.7
309.20813	2.4
347.22174	2.5
365.23358	29.1
383.11230	3.2
383.23947	26.2
383.27921	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	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01876	21.4
55.05516	56.3
57.03436	19.1
57.83677	1.8
59.04990	3.2
65.03935	4.1
67.05509	56.3
69.03420	7.3
69.07071	26.9
70.96103	3.6
71.04982	5.9
72.70917	1.7
73.54443	1.7
74.71858	1.7
79.05497	57.3
81.03431	19.9
81.07059	100.0
83.04979	22.2
83.08619	24.2
85.02908	8.5
85.06529	3.6
87.04456	1.9
91.05482	31.4
93.06486	2.7
93.07043	42.6
94.04133	1.8
95.04971	16.7
95.08610	31.1
97.02865	2.8
97.06540	11.2
97.10170	44.4
99.04442	2.7
99.08073	5.8
101.05941	1.8
105.07034	26.9
105.60389	1.7
107.04955	10.2
107.08598	31.0
109.06541	8.2
109.10159	18.2
109.39059	2.0
111.04445	21.9
111.08076	10.2
113.06012	1.7
117.07022	11.1
119.08582	21.1
121.06500	10.5
121.10150	18.7
123.08082	42.0
123.11706	1.7
125.05902	2.2
125.09634	41.6
128.06180	2.0
129.07008	6.9
131.08575	11.4
133.06454	3.8
133.10117	13.1
135.08038	9.5
135.11670	9.7
136.06235	2.0
137.05878	1.8
137.09610	10.0
139.11151	2.8
143.08516	6.6
143.10640	2.8
145.10098	14.6
147.08076	8.7
147.11705	8.4
149.09613	9.4
151.11197	2.3
153.01804	6.6
153.09129	6.7
153.12747	8.5
155.08667	1.7
157.10097	7.5
158.45570	1.7
159.11714	5.2
161.09648	6.1
163.11172	24.1
165.09145	10.6
165.12732	2.2
171.10167	6.1
171.11560	2.5
173.09608	2.1
175.11168	7.4
177.09186	1.7
181.12262	11.7
189.11227	45.7
191.10704	9.8
193.12257	11.2
203.10611	2.3
223.13232	4.4
227.12733	14.0
227.14677	2.1
245.18983	2.2
249.14825	3.4
252.50668	1.9
255.17345	3.4
263.19891	4.2
273.18472	26.2
291.19534	56.1
309.20636	3.4
347.22104	2.3
365.23380	9.6
383.20154	8.4
383.24280	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01864	11.7
55.05513	17.6
57.03440	39.5
57.59419	3.4
62.18264	3.0
65.03921	6.2
67.05187	5.7
67.05510	81.0
68.43163	2.8
69.03427	7.3
69.07082	18.1
70.01564	3.2
71.04979	10.7
71.51517	4.7
71.51884	3.6
72.08137	3.6
77.05309	2.7
79.05497	39.5
81.07053	39.9
83.05017	5.4
83.08609	11.5
85.02892	6.5
85.06548	31.0
91.03947	5.4
91.05485	35.2
93.07055	27.7
95.04971	63.9
95.08621	25.1
97.02880	4.7
97.06529	15.1
105.07046	21.8
107.04936	12.7
107.08601	31.0
109.06525	64.4
109.10174	30.9
111.04454	3.4
111.08059	5.8
113.05246	5.5
113.06014	100.0
115.05392	3.7
117.07020	13.0
117.28091	3.2
119.08567	13.9
121.06494	11.7
121.10125	11.3
123.08030	6.5
123.11698	3.4
125.09627	4.7
128.06200	3.8
129.05579	3.4
129.06972	11.9
131.08546	17.2
133.10115	13.9
135.08064	57.9
135.11676	9.3
143.08557	13.3
145.10161	15.6
147.08052	6.3
147.11690	5.9
149.09608	11.0
151.11148	3.4
156.07706	3.5
157.10152	8.1
159.08047	4.3
159.11714	10.8
161.09578	12.4
163.11171	4.4
171.11700	7.5
173.11761	7.8
173.13286	5.3
175.11179	6.5
183.11703	3.6
185.13167	4.5
199.11137	3.5
199.14836	6.2
217.15820	17.8
218.91959	3.6
219.13875	4.5
227.17957	3.4
233.15384	4.7
273.18475	44.9
291.19547	66.3
313.07147	5.7
327.12466	4.3
347.22092	6.5
355.22226	3.8
365.23346	15.4
383.11154	6.1
383.24289	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06413	4.6
53.03933	4.9
55.01870	14.0
55.05516	37.3
57.03430	12.3
59.96000	4.6
67.05511	100.0
67.05873	3.9
69.03419	7.3
69.07085	22.2
70.06587	4.9
70.23339	17.4
71.04969	5.6
79.05507	55.7
81.03426	10.9
81.07071	70.9
81.38970	4.8
83.04977	13.0
83.08627	13.4
91.05489	48.7
93.07055	50.9
95.04958	17.6
95.08180	3.6
95.08636	34.6
97.06527	9.3
97.10162	13.1
105.07050	45.1
107.04929	16.3
107.08595	35.5
109.06525	7.1
109.10166	66.0
111.08061	8.0
117.07043	15.9
119.08603	28.3
119.88826	4.6
121.06503	9.9
121.10175	15.1
123.08079	14.5
123.11734	6.3
125.09618	15.6
129.06969	6.4
131.08575	16.3
133.06508	12.6
133.10107	21.8
135.08055	13.4
135.11667	8.5
137.09605	5.7
139.07489	5.3
145.10150	13.2
147.08011	11.6
147.11739	8.6
149.09608	17.7
151.07628	5.2
151.11162	8.5
155.10623	4.9
157.10126	5.6
159.08072	6.2
161.09605	5.6
163.11290	6.2
166.77951	5.0
171.11679	5.6
173.11728	16.6
173.13234	5.3
175.11166	10.2
177.09134	10.8
189.11290	5.2
223.13269	6.2
245.19022	10.7
253.14281	5.0
263.19983	8.4
271.15186	6.0
273.18567	24.4
291.19598	73.6
320.78799	4.7
365.23221	54.9
383.24075	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.6
55.01865	11.3
55.05514	29.8
55.88974	3.6
57.03437	6.0
62.77377	4.1
67.05509	100.0
69.03423	6.3
69.07069	18.7
70.06588	4.5
70.97762	4.0
71.04996	5.3
71.51650	7.1
79.05506	34.5
81.03408	6.9
81.07059	42.0
83.04999	9.7
83.08633	7.4
85.06527	5.1
91.05496	30.2
93.07038	27.1
95.04968	12.3
95.08607	26.3
97.06491	5.4
97.10181	9.5
99.04456	4.2
101.06052	4.5
105.07042	20.5
107.04938	6.4
107.08610	28.0
109.06512	8.0
109.10168	67.4
111.04411	5.0
111.08165	4.9
117.07026	7.7
119.08574	17.7
121.06530	5.4
121.10137	12.7
123.08031	11.1
125.09624	12.3
126.69107	4.1
129.07033	5.5
131.08545	13.2
133.06444	4.5
133.10127	18.0
137.09590	7.3
145.10161	12.7
147.08057	10.6
147.11644	6.5
149.09628	5.1
151.11221	6.7
155.08452	5.1
155.10599	5.0
157.10063	5.4
159.11760	4.8
161.09651	4.2
165.09135	4.5
173.11772	26.1
175.11272	5.4
189.11264	6.0
245.19099	6.1
271.15439	6.8
273.18491	22.6
288.12152	3.9
291.19559	43.7
365.23026	23.8
383.24445	29.6
406.51401	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	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68584	1.6
55.01876	6.3
55.05518	13.3
57.03447	5.2
57.07079	2.6
65.03928	2.1
65.47548	1.7
66.78227	1.7
67.05510	48.6
69.07085	8.8
69.40832	13.5
71.04977	2.4
71.08611	1.9
71.49265	1.5
79.05486	9.2
81.07062	37.3
83.04996	4.1
83.08637	5.1
85.06538	2.2
91.05481	7.7
93.07040	11.4
95.08611	10.2
97.06537	3.1
97.10187	2.1
98.21554	3.0
105.07040	5.7
107.08607	6.9
109.06530	10.0
109.10159	33.1
111.04427	14.5
111.08089	2.7
119.08588	9.5
121.10182	6.0
123.08049	3.1
125.06017	9.6
131.08618	2.4
133.10165	5.0
134.87152	1.9
135.08070	3.6
135.11699	5.9
137.05984	100.0
137.09634	2.1
137.13359	1.8
143.08643	1.8
145.10153	3.6
147.11691	7.8
149.09618	5.9
155.10773	3.6
161.09651	6.1
163.11214	1.8
165.09123	3.9
166.45522	1.8
171.11649	2.5
173.11755	11.8
175.11217	5.2
179.10736	2.1
179.69200	1.7
203.17987	7.6
213.16399	2.1
221.19002	2.7
225.73801	1.6
231.17467	9.9
240.60802	1.5
249.18410	9.7
254.93950	1.7
277.18008	74.3
295.19003	10.0
322.28958	1.8
351.21448	4.0
383.24326	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64858	0.8
53.88354	0.9
54.25535	1.0
55.01869	1.4
55.05506	2.9
56.05026	1.2
57.03441	1.1
63.74697	1.1
67.05508	6.6
68.05032	1.0
69.03425	2.2
69.07053	3.8
70.06588	2.1
70.75658	2.0
71.04985	1.2
72.08160	1.2
79.05490	5.3
79.15797	1.1
80.05064	1.3
81.03419	2.0
81.07063	7.2
82.06552	1.2
83.04976	1.5
83.08631	2.2
83.09102	1.0
84.08121	0.9
85.02885	1.8
85.06577	1.3
86.06048	1.5
91.05489	4.1
93.07065	5.8
95.04938	1.1
95.08595	4.1
97.02877	1.4
97.06528	1.0
105.07041	3.1
107.08603	4.6
108.08129	1.7
109.02850	1.0
109.06514	1.9
109.10162	5.6
110.09678	3.9
114.05544	4.9
115.05475	2.3
116.07114	2.2
117.07018	3.5
118.06551	38.6
119.08611	2.6
121.06503	1.7
121.10144	3.4
122.09630	1.0
123.08067	1.3
123.11758	1.2
124.11241	1.6
127.03959	1.3
130.06535	9.1
133.10123	3.5
135.11720	2.4
137.05951	1.0
138.05458	1.1
139.11185	1.8
142.06519	3.0
143.07310	4.0
144.07031	1.5
144.08102	20.2
146.06020	83.1
150.12782	3.2
152.14354	100.0
157.10109	1.2
159.11682	1.2
160.07510	1.3
170.06004	5.9
173.11761	1.1
175.11226	1.5
178.15874	1.2
184.11238	2.3
188.07077	60.9
193.12267	2.4
196.16977	68.0
208.13428	1.5
210.14940	6.1
219.08018	1.1
221.11749	1.2
239.12779	1.5
253.04977	1.7
254.17540	11.8
266.39780	0.9
309.03851	3.2
337.03558	5.4
339.20688	34.3
340.20905	1.0
355.23849	1.9
365.02997	6.2
365.22556	1.6
383.04031	15.6
383.15192	2.8
383.23285	86.1
384.23697	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.4
56.05025	1.5
57.03432	1.5
67.05495	3.1
69.03410	2.3
69.07057	2.8
71.04965	1.5
71.50679	1.6
79.05489	2.7
81.07076	6.2
82.06572	1.6
86.06059	1.6
86.23151	1.3
88.03989	1.8
91.05476	4.0
93.07024	7.1
95.08585	4.7
96.08145	1.9
97.06514	1.6
99.30784	1.2
105.07021	2.1
107.08585	5.0
108.08094	2.7
109.10170	3.3
110.09663	4.1
114.05508	3.1
114.68745	1.4
115.05454	2.8
117.06998	2.8
118.06551	32.5
119.08582	3.0
121.06499	1.4
121.10134	2.9
122.09637	1.4
123.11713	1.5
124.11146	1.4
130.06563	8.4
131.84830	1.3
133.10168	2.3
135.11694	3.1
142.06528	4.2
143.07320	3.1
144.08092	20.1
146.06018	89.1
147.06340	2.9
149.02458	2.6
149.78532	1.3
150.02654	1.5
150.12796	4.3
152.14349	100.0
154.15904	2.5
164.14391	2.3
165.07901	1.8
170.06030	9.7
178.15993	1.9
181.72598	1.3
184.11247	2.4
188.07079	62.6
189.07320	1.4
193.05019	3.0
194.05328	2.1
196.16972	56.2
208.13441	1.8
210.14897	13.0
215.69803	1.4
247.07399	1.3
254.17546	11.9
324.12512	1.2
339.16608	2.8
339.20688	47.9
383.16040	5.9
383.23297	80.8
384.23633	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	383.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21451	0.6
53.76963	0.8
55.05504	2.6
56.05028	1.1
67.05492	3.0
67.48957	0.7
69.07051	1.9
70.95557	1.8
71.04977	0.9
79.05478	2.7
80.05025	5.1
81.07058	4.0
82.06570	1.7
83.08613	1.5
84.08166	1.1
88.04009	0.9
91.05477	2.9
93.07030	5.0
95.08621	3.8
96.08132	1.5
98.06057	11.2
103.34209	0.8
105.07037	3.1
107.08612	3.0
108.08150	2.5
109.06513	1.0
109.08908	1.1
109.10140	1.7
110.09681	2.9
114.05543	5.0
115.05460	2.0
116.07101	1.9
117.07038	2.0
118.06548	40.1
119.08582	1.3
121.10170	1.8
122.09675	1.1
123.11670	1.4
124.11272	1.6
130.06519	12.5
133.10161	2.0
135.11687	3.2
138.05490	2.7
142.06503	4.2
143.07315	4.5
144.08098	24.9
144.09242	1.3
146.06017	99.8
147.11646	0.8
150.12779	5.6
152.14348	86.5
156.08087	1.4
160.07530	0.7
164.14381	1.1
165.07890	1.6
170.05992	7.1
178.15958	3.0
184.11232	2.6
188.07077	68.9
189.07314	1.3
196.16972	47.7
208.13353	2.8
210.14906	8.7
215.08337	0.8
221.11511	2.0
229.97528	0.9
241.09740	1.4
254.17487	13.2
267.11304	2.3
292.07556	0.8
339.20691	42.6
340.21140	1.0
383.16586	4.5
383.23306	100.0
384.23608	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	383.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	15.5
57.03430	4.0
61.02924	4.4
69.03430	10.5
69.76937	9.6
72.08141	4.8
74.02439	2.7
81.03426	5.5
82.02947	3.2
85.02911	29.7
94.06570	3.4
97.02905	8.6
98.20909	2.9
99.04462	2.4
109.02873	4.3
110.07153	3.5
115.08717	2.4
118.05786	2.0
118.06558	5.9
123.16751	1.8
127.03865	3.7
130.06534	70.0
130.07516	3.6
132.04465	19.4
132.08104	3.7
134.06015	2.9
144.06995	4.1
144.08092	28.1
145.05141	2.6
145.07602	20.3
146.05986	12.0
148.07541	6.1
153.01912	6.0
154.06503	4.2
156.08087	4.5
157.07631	64.4
158.06012	50.3
159.09186	8.2
160.07564	5.4
161.02773	2.2
167.07401	2.8
169.07635	6.5
170.08357	2.2
171.06821	2.5
171.09224	9.9
172.07553	11.4
174.05573	6.1
175.08684	56.7
181.07613	3.1
181.22501	2.1
182.08331	2.5
183.09171	15.0
184.07581	4.2
185.07141	14.8
186.05566	6.4
186.07811	2.6
187.08694	4.6
189.04291	4.7
199.08702	12.8
200.07152	17.7
203.08156	100.0
204.06569	4.2
207.05382	2.9
209.07043	9.2
210.09286	2.3
215.08154	4.8
216.08960	2.3
217.09737	27.9
221.07149	4.4
221.09221	52.2
227.08142	12.2
228.06526	4.5
230.48770	2.1
231.07674	7.2
235.10175	2.7
245.09261	23.4
253.11255	15.2
263.10294	42.0
269.09033	2.3
271.12335	10.2
275.10355	2.1
279.09082	2.2
283.10739	2.6
297.10028	12.4
299.10245	5.1
306.36728	2.0
315.11169	11.0
318.82852	2.0
329.11331	4.3
347.12421	10.9
348.10803	8.3
365.13458	30.2
383.14407	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	382.9983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77319	0.3
50.79311	0.3
54.98647	0.4
56.96566	6.6
70.83258	0.3
70.83596	0.7
71.95259	2.4
73.24821	0.3
98.97584	100.0
99.11993	0.3
99.97926	0.5
116.98621	41.6
134.99654	8.7
140.00203	0.8
147.78340	0.3
153.00710	0.5
154.37421	0.3
181.97366	0.4
216.98836	1.1
219.02068	0.4
234.99861	1.1
240.98643	5.0
241.00801	0.4
255.03716	0.3
258.99768	67.8
259.99921	2.2
261.03055	1.2
274.97748	0.4
277.00821	67.1
278.00946	2.0
279.01132	0.6
282.01434	1.4
282.99936	2.3
284.99716	0.4
295.01813	0.7
298.97989	0.3
300.02310	1.6
301.01154	2.6
303.00958	0.3
314.95441	0.3
316.95224	0.3
359.00665	0.6
365.03192	0.4
376.93271	0.4
382.99805	2.0
401.01077	6.9
402.01205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01867	4.0
55.05507	18.1
56.05038	15.1
57.03427	2.0
57.05787	2.3
57.12528	2.0
60.04525	12.4
65.03945	2.2
67.05508	21.4
68.05011	4.4
69.03416	3.6
69.07073	14.5
70.06589	4.0
71.51775	2.1
79.05488	32.3
80.05017	16.3
80.06263	2.0
81.03405	6.6
81.07056	23.2
81.79938	2.1
82.06559	7.4
83.04984	3.8
83.08615	9.1
84.04514	21.1
90.98456	1.8
91.05479	21.8
93.07035	28.7
94.06568	6.6
95.04958	6.3
95.07361	2.5
95.08586	14.0
96.04494	5.9
96.08158	4.3
96.09081	2.0
97.06528	2.6
97.10171	14.8
98.06046	7.0
98.09685	2.7
99.06794	2.1
105.07013	14.8
106.06559	5.0
107.04969	8.0
107.08590	13.8
108.08106	6.6
109.06546	2.4
109.10158	9.0
110.06023	5.6
110.09699	2.8
111.42008	2.3
111.68641	2.1
117.07012	5.2
118.14202	1.9
119.08591	12.0
120.08098	5.0
121.10119	16.1
122.09649	2.7
123.08086	4.3
124.07572	4.3
124.11227	2.6
125.09643	13.3
129.06975	3.0
131.08551	14.9
133.10164	6.0
135.08038	5.7
135.11710	2.2
136.07613	3.3
136.11235	3.9
137.09557	3.4
138.12782	8.0
145.10114	4.0
147.11649	5.0
148.11205	7.8
149.09631	19.4
154.12265	4.8
159.11665	5.8
161.13316	2.9
166.12263	28.8
171.11691	3.0
173.11731	2.8
173.13251	2.8
180.13873	3.5
182.11781	2.4
189.12878	2.4
203.12814	8.8
204.13963	3.6
205.12236	3.0
206.15422	5.5
208.13326	100.0
236.16493	5.7
237.14876	3.3
238.17990	12.2
257.18951	3.0
273.18536	3.0
274.21680	2.9
289.21591	19.0
304.22638	2.9
305.21042	8.7
306.24329	34.8
322.23517	3.4
340.24796	4.4
348.25342	4.7
364.24710	2.4
382.25861	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01863	6.8
55.05513	22.0
56.05041	13.8
57.07068	3.0
58.06593	4.9
59.04995	2.8
59.37186	2.6
60.04524	14.7
67.05511	37.2
69.03422	4.2
69.07080	19.0
69.07400	3.1
70.06572	3.7
70.68793	6.4
72.08095	3.5
74.10550	2.4
78.62260	2.8
79.05498	36.5
80.05024	16.5
81.03411	9.8
81.07066	33.1
82.06564	7.6
83.04985	3.5
83.08590	10.5
84.04505	20.2
85.06533	3.2
91.05489	26.8
93.07052	43.0
94.06562	6.5
95.04977	6.6
95.07383	3.9
95.08614	14.6
96.04481	6.5
96.08136	5.1
97.10179	13.8
98.06036	8.0
98.09730	3.2
105.07039	22.2
106.06597	3.7
107.04958	6.8
107.08594	18.0
108.08105	8.1
109.06497	4.5
109.10156	17.4
110.06023	9.4
110.09653	4.7
111.08128	3.0
113.44307	2.6
113.80480	2.6
117.07004	4.8
119.08589	15.2
120.08075	4.1
121.10166	19.5
125.09598	12.7
131.08568	16.7
133.10129	9.0
135.08083	4.6
135.11682	3.1
137.09569	3.7
138.12764	12.0
143.08537	4.5
145.10127	7.4
147.08096	3.1
147.11668	6.6
148.11240	7.8
149.09636	16.6
154.12228	7.3
159.11693	4.9
165.08997	2.9
166.12305	38.5
171.11700	4.3
173.11713	7.7
173.13182	4.0
175.11197	3.3
203.12773	10.6
206.15398	3.6
208.13341	100.0
219.13800	3.5
221.15314	4.1
228.16064	2.7
237.14804	4.3
238.17981	10.0
257.19006	6.1
262.68927	2.8
270.53912	2.9
270.67050	2.7
274.21808	3.4
289.21698	23.3
304.22763	3.7
305.21094	10.5
306.24344	29.4
316.63708	2.7
325.07382	2.9
344.39096	2.9
348.25418	3.4
382.25894	76.0
382.36719	6.0
383.25464	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	382.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01865	0.4
55.05499	1.4
56.92776	0.4
67.05502	0.5
68.05046	0.4
69.03394	0.4
69.07067	0.8
69.78707	1.2
69.79118	1.0
70.06589	0.8
72.08147	0.4
73.46011	0.4
75.44068	0.4
79.05490	0.9
80.40626	0.4
81.03399	0.4
81.07060	0.9
84.08147	0.7
85.02905	0.6
85.06581	0.5
91.05467	1.7
93.07050	0.9
95.08595	0.6
103.05481	0.6
105.07058	0.8
115.05470	0.6
117.06998	0.8
119.04933	0.6
119.08591	0.6
119.25954	0.4
121.06489	0.9
121.10147	1.0
122.06010	0.6
123.04430	0.9
124.07580	1.1
131.04897	1.2
132.08093	0.6
133.10196	0.4
136.07581	0.8
137.05986	2.0
138.09157	1.2
139.03860	0.3
139.53708	0.4
143.04887	0.7
145.06450	0.9
146.06010	0.9
147.04385	0.9
148.04945	0.4
149.05994	2.5
153.01901	0.6
157.06465	1.1
159.08157	0.4
160.07597	0.8
161.05995	2.2
162.05495	2.0
163.07579	0.9
164.05696	0.5
164.07068	9.9
164.08417	0.6
167.10724	0.5
173.06012	1.8
175.07545	1.3
176.07080	1.7
177.07860	26.2
178.05069	0.5
178.08524	1.7
183.08115	0.5
187.07597	0.6
190.08577	0.9
206.10246	0.6
207.06445	0.4
220.13446	0.7
243.03027	0.4
250.13039	0.9
256.17191	0.5
262.04288	0.5
274.18063	5.8
284.16418	0.6
300.19409	0.4
302.17535	7.8
320.18573	100.0
321.18958	2.8
364.21210	30.0
365.21539	0.9
382.13901	0.4
382.18124	0.8
382.22287	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	381.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.5
55.01878	31.9
55.05517	30.7
57.03439	45.7
65.03952	5.4
66.04726	2.1
67.05508	75.4
69.03423	5.5
69.07075	23.2
69.26449	22.1
71.01364	2.5
71.05005	3.4
73.02908	3.1
74.97591	2.2
77.03954	2.2
79.05496	70.8
80.06284	4.9
80.46780	2.2
81.03423	12.7
81.07059	70.2
83.01349	8.9
83.04980	32.9
83.08626	6.6
85.06548	6.2
91.05492	82.1
92.06294	2.7
93.07048	57.4
94.04213	2.4
95.04980	64.1
95.08614	40.4
97.02918	10.2
97.06559	9.6
97.10173	4.3
98.07329	5.2
99.04477	2.7
101.91457	2.1
103.05467	3.3
105.04504	2.8
105.07042	62.5
107.04965	100.0
107.08607	26.9
108.05766	4.9
109.06533	36.7
109.10168	16.0
110.07295	3.2
111.04432	6.5
111.08093	3.4
112.05217	9.7
113.06026	6.5
115.05469	5.6
117.07030	40.2
117.07773	4.2
119.04945	8.4
119.08588	37.2
121.06531	23.1
121.10153	14.6
122.07275	24.3
123.04440	9.1
123.08064	7.3
123.11690	4.0
125.05996	6.1
125.08209	2.1
125.09693	3.0
128.06227	6.7
129.05478	8.0
129.07014	20.4
131.04930	6.3
131.08578	38.1
133.06522	30.0
133.10129	20.6
135.04462	4.2
135.08054	23.2
135.11736	10.1
136.08844	4.0
137.06026	3.7
137.09642	7.2
141.07018	8.1
143.08572	12.4
145.06479	25.6
145.10117	19.9
147.08052	28.8
147.11708	8.7
148.08810	3.5
149.06030	4.1
149.09634	5.7
151.07535	5.8
155.08574	8.7
157.10126	4.5
159.08058	8.8
159.11743	10.3
161.09651	22.2
161.13298	4.2
162.10387	4.7
163.07538	2.8
163.11166	12.6
163.12436	2.2
165.07025	2.8
165.09140	5.9
165.12653	2.6
169.10139	7.7
171.11729	9.2
173.09636	4.9
173.13272	13.4
175.11186	4.0
177.12820	5.2
179.14363	3.3
183.11896	2.2
185.13310	2.9
187.11244	3.9
187.14767	13.0
189.12758	6.3
191.10733	2.5
197.13338	5.4
203.14369	3.1
205.15950	10.8
215.14336	17.7
217.15941	3.7
225.12708	3.5
233.15384	60.6
234.15863	2.4
238.91055	2.6
243.13800	3.0
251.16484	8.6
261.14862	10.0
273.18552	13.1
275.20020	3.9
290.18738	9.4
307.19034	32.0
335.18549	57.8
381.22656	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65900	5.2
72.15291	1.5
126.91722	1.7
147.45219	1.5
173.69273	1.7
201.01591	2.8
216.63091	1.8
219.02672	2.1
226.60867	1.6
381.07947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56277	1.8
51.67326	2.0
53.03934	9.3
55.01877	29.8
55.05516	27.2
56.96561	6.1
57.03441	35.2
59.05000	3.1
59.22765	2.0
65.03936	8.9
66.07073	2.4
67.05508	87.2
68.96196	2.4
69.03432	8.6
69.07081	22.9
70.80040	6.0
71.01358	2.9
71.04980	6.1
73.02924	3.0
75.34859	2.2
78.04703	2.2
79.05496	74.9
80.06285	3.0
81.03414	19.8
81.07059	75.2
83.01346	6.2
83.04984	36.3
83.08624	12.6
84.02119	2.2
85.02885	5.0
85.06528	5.3
91.05485	82.7
93.07047	62.7
94.04176	4.0
95.04968	60.8
95.08613	42.7
96.05762	4.0
97.02895	12.5
97.06520	15.0
97.10170	6.4
98.07345	3.3
98.97568	4.9
99.04457	3.4
103.05473	6.4
105.07041	65.3
107.04958	100.0
107.08598	29.5
108.05736	5.2
109.02753	2.1
109.06525	38.2
109.10172	25.0
111.04433	8.0
111.08097	5.7
112.05249	5.4
113.05994	8.2
113.96724	2.0
115.05441	7.6
116.04737	3.5
117.07023	42.7
119.04947	7.0
119.07794	4.0
119.08589	42.5
120.05695	3.4
121.02856	2.9
121.06513	27.8
121.10150	19.0
122.07296	20.0
123.04445	7.5
123.08054	10.0
123.11716	5.4
125.06012	6.6
125.09619	3.1
128.06250	4.4
129.05463	6.7
129.07016	20.8
130.07748	3.8
131.00192	3.7
131.04947	5.3
131.08583	41.0
133.06509	30.5
133.10144	23.0
135.04459	7.9
135.08061	20.8
135.11674	13.1
136.08813	3.0
137.05965	9.2
137.09622	5.3
141.06960	6.2
142.07755	3.4
143.08597	13.3
144.09261	2.4
145.06505	22.7
145.10133	23.0
146.99478	2.3
147.08057	32.0
147.11690	11.6
149.01178	2.6
149.06018	2.7
149.09618	10.6
149.13255	4.6
151.07539	8.0
151.11205	3.8
153.06956	2.2
155.08542	11.3
157.06531	2.9
157.10091	9.2
159.08073	8.9
159.11720	12.5
161.09660	20.8
161.13210	4.7
162.10362	5.6
163.07538	5.7
163.11176	17.3
165.09103	8.0
167.08517	3.0
169.10121	6.8
171.11690	9.7
173.06082	2.5
173.09631	4.0
173.13249	15.7
175.11197	6.0
177.09142	2.3
177.12729	5.4
179.14394	3.0
185.13290	3.3
187.11163	5.5
187.14853	11.5
189.12750	6.6
191.10657	3.2
197.13237	8.4
203.14273	3.1
205.15903	8.6
205.64886	2.3
215.14252	11.9
217.15956	5.2
233.15376	57.9
233.17535	4.6
243.13834	4.2
251.16492	9.2
255.17412	2.7
257.18985	4.5
261.14841	8.1
261.18091	2.7
273.18643	11.2
275.20084	8.9
277.10068	5.2
289.17990	5.1
290.18732	5.4
307.19040	26.2
335.18539	55.4
349.23727	3.0
358.12723	6.0
358.98560	5.0
376.99600	2.3
381.22504	28.5
381.27011	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	380.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.1
60.04530	0.8
69.03418	0.8
69.07088	0.7
69.70419	1.4
69.70831	1.9
70.06598	1.3
71.08640	17.9
74.06089	1.7
84.04513	1.0
86.09748	0.8
88.11275	100.0
89.11571	0.7
91.05479	0.7
93.07012	0.9
97.02894	0.7
98.21508	0.8
98.97611	1.1
120.08197	0.6
121.06511	0.9
130.97829	0.6
136.07613	0.9
139.03958	0.8
140.07048	0.7
152.04599	0.8
153.01837	2.8
191.44995	0.5
216.03343	0.6
233.99229	1.2
236.67233	0.5
237.02838	0.6
288.28860	0.5
320.06659	2.1
380.16656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68144	5.0
55.05505	6.8
57.77206	4.9
67.05515	8.5
69.03417	5.9
70.06587	8.2
70.83639	11.0
72.08152	21.2
77.00295	5.8
79.05518	6.3
81.07047	8.3
82.06609	8.1
83.04970	5.1
84.08153	12.9
86.09689	8.3
91.05496	10.7
93.07064	5.9
95.08632	5.1
99.04511	7.1
105.06981	7.0
120.08113	7.7
121.06488	6.5
124.07585	8.6
133.10191	7.3
139.03902	7.5
140.07079	6.6
164.07098	11.8
175.11313	6.0
177.05450	6.9
183.99779	6.0
187.10843	10.3
208.09677	5.1
210.11365	12.7
219.00566	100.0
224.09268	14.5
267.07660	9.6
285.12363	24.8
303.13446	17.3
313.34009	5.3
319.12915	7.8
321.14261	8.0
331.12878	8.7
349.14075	15.9
362.94376	5.0
363.15469	41.2
381.05838	75.3
381.10422	9.6
381.16388	32.6
381.24564	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	381.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68864	5.2
68.99113	4.5
70.84084	15.2
86.70274	4.6
113.94001	4.7
219.02795	5.4
319.52612	5.6
381.03387	9.2
381.07993	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1576
Annotation	Abafungin
Peak:m/z	Relative Intensity
51.53336	0.4
57.99421	0.4
58.02882	0.5
62.87146	0.4
67.48289	0.4
69.91798	0.5
70.06621	0.4
70.79571	1.0
74.06097	2.2
81.49248	0.4
85.02878	0.4
86.09682	0.8
96.16335	0.5
107.29666	0.5
112.56131	0.5
132.10214	0.5
153.01921	0.5
156.59274	0.5
158.97334	0.7
171.09085	0.5
217.10474	10.9
233.14986	1.5
234.99028	1.6
275.16223	0.6
379.15756	100.0
380.16202	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	379.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	1.4
71.51020	1.6
75.47605	1.2
82.67497	0.9
92.43948	1.1
135.11752	1.0
189.18851	1.1
224.79880	0.9
340.07819	1.0
379.24579	100.0
380.24899	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	379.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11147	0.7
58.11279	0.9
58.99160	0.8
71.51910	1.3
79.05479	1.6
81.07053	2.0
95.08619	1.3
100.25888	0.9
105.07068	0.9
109.10242	0.9
119.08595	1.6
130.10480	0.9
135.64938	0.9
196.19418	0.8
246.51555	0.9
274.45908	0.9
368.78220	0.9
379.24564	100.0
380.24872	2.6
401.27347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1705
Annotation	Bruceolline M
Peak:m/z	Relative Intensity
53.03948	2.5
55.01850	0.8
70.39498	1.5
77.03932	0.8
79.05496	0.8
81.03415	0.6
81.07069	0.5
84.04471	0.6
91.05484	8.3
93.06480	0.9
93.07044	12.6
97.06476	0.5
101.06620	0.4
103.05475	9.2
105.04501	0.7
118.21019	0.4
119.04929	0.8
121.06506	100.0
122.06032	0.5
122.06858	1.2
124.07616	1.3
127.90562	0.4
136.07614	0.6
147.04437	1.0
150.09137	1.3
151.07573	0.6
160.00659	0.4
166.08775	0.4
178.08694	0.8
188.10849	0.5
196.09685	1.1
214.10789	1.5
218.11736	0.8
232.11830	2.8
242.10196	4.9
244.13370	1.3
260.11313	10.4
272.11298	0.9
274.14453	0.7
298.14249	0.5
316.15381	0.8
334.16522	2.2
352.17441	4.6
362.16006	7.9
380.17047	72.2
381.17542	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
54.45433	1.2
55.05505	2.0
59.79642	1.5
65.03941	1.5
67.05516	4.8
67.47871	1.4
68.05020	2.2
69.07076	3.8
70.06592	1.4
71.23985	2.6
72.08169	2.4
74.06063	1.5
79.05485	1.9
80.05050	2.0
82.06566	2.0
83.05013	1.7
85.26611	1.4
91.05489	7.3
92.05025	1.9
93.07047	9.6
94.06593	11.1
94.07419	1.4
95.04988	4.4
96.04498	12.3
98.06092	1.5
101.04088	1.4
108.08137	4.6
109.02979	1.3
109.06550	3.0
110.02450	2.4
110.06054	1.9
111.08097	4.9
120.04485	13.9
120.08106	1.7
121.06503	4.1
122.02512	1.5
122.06032	19.4
124.03925	1.5
124.57554	1.2
127.03954	1.6
132.08148	1.6
134.06036	1.6
134.09633	6.9
135.08084	3.1
136.03952	4.9
136.07561	10.5
137.05971	3.8
138.01894	5.9
138.05521	8.3
138.09167	3.2
140.07080	10.7
146.02359	2.0
146.06090	1.9
148.03955	5.6
152.10690	3.2
153.01849	1.7
154.04999	1.8
154.08632	8.1
162.05499	4.5
162.09146	41.2
163.07640	1.9
164.03432	7.2
164.07103	3.7
166.05020	3.3
172.06062	14.4
176.03502	2.6
180.06616	1.7
180.10210	32.4
190.05006	6.2
190.08707	5.5
196.06100	7.2
198.07631	4.7
206.04462	3.5
208.09697	100.0
209.10179	1.7
210.11346	6.2
213.10138	1.9
214.08646	2.1
216.10414	1.5
224.05553	2.4
228.10280	1.9
234.99069	3.9
237.10326	4.1
238.08713	2.5
240.08661	2.9
251.08212	5.0
253.09790	2.4
256.09784	2.2
259.10779	2.1
265.09775	3.1
266.08081	2.8
267.11301	9.1
269.09207	3.4
270.07660	1.9
273.12366	2.7
283.10843	5.9
284.09262	3.7
286.10660	1.6
287.10455	2.1
293.09207	4.1
297.12378	2.9
301.11856	8.4
310.09464	1.7
311.06976	1.7
311.10141	8.3
312.08600	15.2
325.11826	6.3
329.11322	25.0
330.09763	16.8
343.12903	34.9
343.16779	2.5
344.11310	13.6
347.12485	19.1
348.10858	4.7
361.13892	23.3
365.13562	1.9
379.15024	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62314	2.0
55.05513	9.8
57.07060	4.2
59.10343	1.7
66.57032	1.7
67.05490	4.3
69.03444	2.2
69.07054	3.3
69.26729	18.3
70.06587	2.1
77.71483	1.7
79.05494	3.1
81.03410	2.9
81.07051	5.5
83.04987	4.5
83.08628	2.5
85.06544	3.1
91.05475	3.5
93.07028	8.5
95.04988	3.1
95.08610	9.1
97.06519	2.8
105.07018	4.7
107.08604	11.5
109.10150	3.2
111.03716	3.2
111.04453	52.8
111.08037	2.0
112.43951	2.0
113.06064	2.1
117.07020	2.6
119.08594	3.6
121.06528	4.0
125.05965	13.3
133.10091	2.7
135.08041	8.3
135.11702	13.9
136.06194	32.3
145.10124	9.6
153.01865	4.8
153.12793	4.2
157.10165	2.1
158.35486	2.0
163.11241	17.0
178.08521	2.6
181.12244	100.0
182.12498	3.6
193.12257	2.4
199.11621	3.4
199.13313	39.9
234.89752	1.7
298.18796	1.8
315.42648	2.2
378.21970	4.1
379.64005	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1502
Annotation	Kahakamide A
Peak:m/z	Relative Intensity
53.03949	2.1
55.05515	2.1
56.01495	1.7
60.04514	2.2
66.92113	1.6
67.05492	5.2
68.99823	1.8
69.03435	2.8
69.07058	6.0
70.05573	5.6
70.06590	4.8
71.04988	1.7
72.08148	2.2
77.03928	2.3
78.74831	1.7
80.05018	3.3
81.03384	2.2
81.07053	1.6
82.06584	2.1
84.04504	3.8
84.08117	3.4
85.02903	3.0
86.09693	4.8
88.11283	2.1
91.05489	8.6
92.05003	2.7
93.07050	8.0
94.06575	15.5
95.04952	6.1
95.07613	1.5
96.04495	13.7
96.08105	1.9
97.02919	3.3
98.06044	1.8
99.04420	3.4
108.04421	2.2
108.08113	6.8
109.02854	4.1
110.06028	2.2
110.07214	1.9
111.08120	8.7
112.07572	2.2
113.05986	3.2
120.04471	18.1
120.08126	2.0
121.06490	4.6
122.02398	4.4
122.06038	23.7
122.06815	2.9
123.04434	2.8
124.07603	3.6
127.03912	2.3
130.04985	2.8
134.06015	3.8
134.09630	7.9
135.08000	3.6
136.03961	10.1
136.07581	9.1
137.05956	4.4
138.01907	9.9
138.05469	8.8
138.09148	6.1
139.07532	2.3
139.59523	1.5
140.07079	15.6
141.05457	4.4
146.02396	4.5
146.06030	2.0
148.03926	3.7
152.07027	1.8
152.10704	4.0
154.04892	3.0
154.08693	8.4
156.13777	1.8
159.06409	1.7
162.05489	5.8
162.09157	34.6
163.06235	1.9
163.07497	1.8
164.03329	10.3
164.07091	3.5
164.99927	1.5
166.05031	4.9
170.04453	3.8
172.06079	23.3
178.04933	3.3
180.10210	33.5
190.04991	11.7
190.08646	7.8
192.02892	2.4
196.06136	11.3
198.07628	5.7
200.12834	4.7
206.04497	6.9
208.06163	5.4
208.09702	100.0
210.11247	7.0
213.10126	1.6
215.08264	1.8
224.05527	5.0
225.10204	2.5
230.11763	1.9
237.10240	4.3
238.08775	3.8
240.08789	3.0
251.08081	3.7
252.08820	2.3
255.11269	1.9
256.09576	2.4
265.09656	4.4
266.08130	3.9
267.11301	9.5
269.09195	2.1
273.12311	2.5
274.10654	1.8
281.08752	1.7
283.10861	8.2
284.09143	6.1
285.12296	2.1
293.09204	3.7
295.16577	2.4
297.12326	4.1
301.11932	8.3
311.10318	6.0
312.08667	5.6
316.11874	3.6
325.11884	4.5
329.11362	16.4
330.09769	5.2
343.12891	38.6
343.18985	2.4
344.11243	22.3
347.12381	14.9
348.10846	2.0
361.09641	2.1
361.13977	32.3
362.12491	2.5
379.10202	5.2
379.14944	73.2
379.19733	4.1
404.02081	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.146
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
53.03944	2.0
55.01865	0.7
57.03200	0.7
57.03441	8.2
59.04984	1.1
61.02930	4.4
69.03434	15.0
70.06558	0.7
70.89247	1.6
71.00727	0.6
71.01334	2.0
71.04988	4.1
71.05625	0.6
73.02914	2.3
74.18601	0.5
75.04479	2.5
81.03415	3.9
81.12814	0.6
87.04472	0.8
97.02893	0.6
99.04459	5.7
117.05531	0.9
124.07636	0.9
127.88342	0.6
128.39070	0.6
130.06577	1.0
137.05966	2.5
139.03824	0.7
142.41920	0.7
145.07599	3.1
151.03920	0.8
157.07631	0.8
159.09169	0.7
159.97977	0.6
170.07112	2.2
172.08713	34.4
190.09740	1.9
198.04916	1.0
198.06618	8.9
200.08266	5.5
214.14299	0.9
215.14728	2.5
216.07695	18.4
218.09146	0.7
243.08794	77.9
244.07014	0.8
244.09203	1.0
285.09995	0.7
329.49805	0.6
359.13477	4.2
377.14560	100.0
378.14865	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	378.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97553	1.4
55.05511	7.2
55.80510	1.4
57.07070	5.7
67.05517	2.1
69.07080	2.2
70.97118	2.9
81.07060	3.7
83.04975	4.4
85.02863	1.3
85.06554	3.0
86.00275	1.5
93.07037	4.5
95.08593	6.5
97.06510	3.3
105.07017	2.3
107.08608	8.5
109.10155	2.3
111.04452	50.3
111.08024	1.4
118.06005	1.7
121.06503	1.7
121.10117	2.3
123.08048	1.6
125.06016	16.7
127.07624	1.7
135.08047	6.2
135.11667	7.1
136.06198	1.9
137.05916	1.4
138.07344	1.4
139.07512	2.3
145.10132	8.8
153.12740	3.6
163.11201	12.8
178.08627	2.2
181.12244	100.0
199.13321	39.7
378.12384	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	377.121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
67.05492	4.8
69.03437	2.4
69.95415	6.6
70.06582	2.9
79.05482	4.4
81.07047	3.9
83.04957	2.3
91.05466	8.1
93.07037	6.6
95.04958	2.9
95.08612	4.8
98.21483	2.3
99.04482	2.1
105.07036	8.4
107.04956	2.7
107.08585	6.0
109.06466	2.6
119.08580	3.8
121.10107	4.4
127.00057	19.9
127.66874	1.9
133.18317	2.0
135.08044	2.7
137.06004	2.6
145.10152	5.3
153.01831	3.7
173.09497	2.9
213.78763	2.1
229.12010	22.3
247.13295	2.2
271.01398	2.0
273.11008	24.8
289.14154	3.5
291.11960	7.4
333.13095	24.9
377.12079	100.0
378.12259	3.0
400.51785	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
61.26023	0.9
61.99479	0.9
70.10307	1.8
70.10702	2.1
91.04959	1.0
91.05476	3.8
93.07041	5.4
95.04930	1.1
98.04048	0.9
103.05465	3.4
106.64835	1.0
110.87640	1.0
114.29061	1.0
121.06509	100.0
122.06859	1.5
132.48083	1.1
138.09145	25.0
176.30374	1.0
314.42096	1.0
353.58252	0.9
376.14267	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.3
57.03455	1.4
60.75336	1.0
67.05514	3.6
69.07074	39.5
70.29855	1.5
70.30178	1.9
72.08141	1.1
79.05493	4.0
81.07064	14.4
83.05006	1.2
85.02920	2.7
91.05489	1.8
93.07047	6.7
95.08612	43.4
96.08995	1.2
105.07034	8.9
107.08592	6.7
107.61696	1.3
109.06520	1.9
109.10155	5.5
119.08589	15.2
121.10152	16.2
121.51318	1.3
123.08121	2.1
125.09678	2.1
133.10127	3.1
137.05893	1.2
151.14938	1.5
160.89308	1.1
161.13269	34.4
179.14326	100.0
180.14615	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.0
67.05522	5.6
69.03428	2.3
69.07073	37.9
69.33797	8.8
70.06590	1.5
79.05479	5.1
80.90136	1.1
81.07063	13.9
83.08608	1.6
85.02894	3.1
91.05489	3.1
93.07042	7.0
95.04959	1.9
95.08615	42.1
97.02911	2.0
105.07031	6.3
107.08588	7.6
109.06562	2.0
109.10164	5.5
119.08593	12.6
121.10156	17.1
123.08037	1.4
125.09645	2.1
133.10149	3.1
135.11707	1.8
138.05551	1.1
151.14803	1.6
153.01854	1.3
161.13269	33.2
162.13507	1.2
179.14325	100.0
338.72845	1.1
376.12943	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	6.3
68.08662	4.4
70.74768	10.4
81.03423	6.5
84.08140	9.0
85.02896	10.1
87.89548	4.3
98.97547	4.6
100.26485	4.8
101.00898	22.9
114.05630	4.3
115.02422	12.1
119.01920	14.1
120.02145	4.1
121.01663	11.9
122.06017	4.8
123.04393	5.9
126.05466	5.2
127.03864	5.4
128.98560	6.9
130.08598	5.7
131.01904	9.6
133.01614	5.6
133.03461	13.3
137.06004	8.5
140.06996	5.0
143.01953	5.0
144.99794	4.8
145.03458	10.4
146.99565	6.0
153.07515	6.2
155.01874	8.2
157.03491	12.0
160.57675	4.1
161.02950	12.0
166.61240	4.3
170.99533	7.8
173.02989	10.8
175.04555	11.8
185.00923	4.9
187.00856	5.3
189.00708	5.9
195.01398	7.9
201.00577	5.9
201.02454	7.0
211.00859	5.1
213.02443	9.5
215.00407	8.7
217.00096	6.3
219.01747	6.9
229.01952	8.6
231.03456	8.0
231.07297	5.1
243.03491	7.4
246.10847	4.0
246.19585	4.9
247.03137	9.5
247.10344	4.1
249.04683	7.2
249.08121	13.0
249.10495	4.4
251.02397	4.8
275.02472	7.6
278.35007	4.7
299.02527	7.8
317.03204	6.3
345.01468	6.0
345.06778	9.3
375.99274	4.5
377.04874	100.0
377.09671	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	376.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	5.7
56.05024	2.5
64.89687	0.9
67.05517	1.5
69.42697	7.7
70.06596	2.1
72.08145	1.4
74.02439	1.9
80.05022	1.1
81.07067	1.9
82.06586	100.0
84.08147	1.1
86.09692	1.4
86.48837	1.0
91.05479	2.4
93.07043	2.8
95.08562	1.1
100.07594	1.6
103.05489	2.3
105.07043	2.0
107.04942	1.0
107.08607	1.3
109.06519	5.3
119.08552	1.1
120.08116	51.9
121.06542	2.3
123.08058	1.4
128.07091	11.8
133.06483	1.0
134.45845	0.8
137.05998	1.8
138.04182	1.1
141.10237	10.1
143.42607	1.1
145.09694	5.2
162.09160	9.7
162.62744	0.9
170.08090	2.0
177.09109	3.1
178.09505	1.8
187.10800	98.1
188.11169	1.5
190.08582	0.9
193.08658	1.4
197.11775	1.2
214.14355	1.5
224.85292	0.9
250.35820	1.0
332.02142	1.0
339.49231	1.1
376.17969	1.8
376.32559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95566	0.6
55.05503	1.3
55.09600	0.6
57.03435	1.2
58.99588	0.6
60.16156	0.7
61.02922	1.4
67.05499	0.9
69.03419	2.7
69.07063	2.4
70.06602	0.8
71.04982	2.1
71.51234	0.7
74.00627	0.9
76.02213	0.7
79.05499	1.0
81.03407	1.9
81.07043	1.2
82.06591	1.1
84.04484	1.1
85.02908	4.8
86.09695	0.9
91.05444	1.6
93.07041	1.5
94.06581	1.3
95.04961	1.0
95.08569	1.6
96.08130	2.0
97.02880	2.0
97.06524	3.1
103.05465	0.8
105.07025	1.5
108.08104	0.8
108.83211	0.7
109.02870	1.3
109.06522	1.2
115.05426	0.9
116.01656	1.4
117.07026	4.9
121.06487	2.7
122.09676	2.4
123.06808	1.1
123.08051	2.3
124.07600	28.2
125.07771	0.8
126.09142	2.4
128.06229	3.2
129.06956	1.5
130.06490	0.9
131.04910	1.1
133.06479	0.7
136.11227	3.5
137.06010	1.0
138.08145	1.4
138.09149	21.9
140.10718	3.7
144.08501	1.1
145.06448	3.5
147.04433	1.2
149.05933	1.0
150.12802	10.7
152.10718	2.1
155.06053	0.9
157.07642	0.8
162.02222	2.5
163.07556	5.2
167.07112	1.0
173.05992	31.6
178.12260	12.5
179.06917	1.0
179.10704	2.1
180.10193	5.1
181.04956	2.5
182.05730	1.3
190.08658	2.9
196.13338	8.0
197.08112	16.0
205.08611	11.3
206.08833	0.7
207.06525	4.5
210.06732	1.2
214.14383	100.0
215.14725	2.4
222.11273	4.9
224.08414	0.7
225.09099	1.3
239.09131	7.4
253.08463	0.9
256.15643	0.8
285.11160	5.7
327.12360	6.9
359.14682	1.9
376.09134	0.9
376.13669	1.2
376.19748	4.4
384.92883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.3
58.93964	1.3
59.74663	1.0
69.60060	6.0
83.39678	1.3
91.05478	4.2
93.07051	5.9
99.09163	1.2
103.05468	3.2
121.06507	100.0
137.05966	6.1
138.09145	22.7
139.03946	2.9
154.08682	1.9
163.07480	2.9
190.08574	1.8
191.07014	8.7
208.09702	14.3
376.14276	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	376.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45562	2.6
69.03424	6.7
70.06615	3.5
71.50824	4.0
81.03403	12.9
85.02911	6.5
91.05482	6.1
95.04979	10.2
97.02893	4.2
99.04477	4.5
107.08600	2.7
109.02908	7.5
121.02874	100.0
121.06483	4.6
124.07596	13.4
131.08539	4.2
138.09131	6.7
139.03905	19.4
140.07118	3.1
161.06050	3.2
172.08751	3.6
178.12273	4.5
196.13411	3.4
214.14392	37.5
243.08823	4.9
265.07156	13.3
283.08102	19.5
302.32690	2.5
376.14166	5.7
377.14157	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64096	0.6
53.03927	0.9
55.01844	0.6
57.03426	1.9
61.02919	0.6
67.05495	0.6
67.73417	0.5
69.03424	2.7
69.07056	1.9
71.05003	0.7
71.50704	0.7
72.84588	0.6
73.02902	1.0
79.05492	1.0
81.03410	1.4
81.07049	1.4
82.06609	0.9
84.04485	0.6
85.02914	4.5
85.37779	0.6
86.09699	1.3
91.05492	2.4
93.07041	1.0
94.06569	1.1
95.08636	1.7
96.08131	1.8
97.02904	1.8
97.06528	3.0
100.16489	0.6
103.05485	2.2
105.07026	1.2
107.08601	1.5
108.08121	0.9
109.02898	1.2
109.06512	0.9
109.10139	0.9
115.05462	2.3
117.07031	6.9
117.21265	0.6
119.04922	0.9
120.08123	0.9
121.06508	2.2
122.09669	2.6
123.08095	1.5
124.07600	25.5
124.08506	1.4
126.09138	1.5
127.03916	0.7
128.06248	4.8
129.06998	1.9
131.04933	1.9
133.10115	0.7
136.11238	2.4
137.06006	1.9
138.09149	20.6
140.10721	2.9
145.06491	4.5
149.05946	1.7
150.09137	0.9
150.12793	11.4
151.11197	0.8
152.10712	2.4
155.06042	1.2
160.11246	0.6
161.09605	0.8
163.07574	7.5
167.07095	1.1
173.05995	45.4
174.06351	0.7
178.12280	10.8
179.07089	1.3
179.08543	1.0
179.10690	2.1
180.10204	8.1
181.05017	3.9
182.05742	2.7
182.07266	1.1
182.11647	0.7
184.26202	0.7
190.08607	3.2
196.13335	6.6
197.08105	26.7
197.09485	1.1
198.08426	0.6
205.08626	16.8
207.06538	5.6
210.06775	1.1
214.14392	100.0
215.14696	1.1
222.11266	7.2
224.08517	0.7
225.09146	1.9
238.14380	0.7
239.06985	0.9
239.09143	14.1
239.11430	1.2
251.39407	0.6
253.08685	1.6
270.08987	0.9
285.11234	9.2
327.12344	10.9
359.15149	3.0
376.20004	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	376.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99344	0.6
55.01842	1.2
57.03417	1.6
67.05479	0.8
68.99770	1.9
69.03428	0.8
70.06594	4.1
70.06897	0.7
70.64030	2.0
70.64416	1.0
79.05447	1.9
81.07030	1.3
83.01330	0.9
84.04511	0.9
85.02909	0.9
90.60400	0.7
91.05454	0.9
95.04961	3.4
95.08589	1.3
105.07004	2.0
107.04917	3.2
107.08580	1.4
117.06982	2.6
121.02862	0.9
121.06509	6.9
123.04414	1.3
126.05616	0.7
127.03934	0.8
135.04430	5.0
135.08031	4.1
136.07520	3.0
138.09079	0.7
139.03900	34.4
145.06509	3.9
147.92047	0.7
149.05971	3.0
151.03900	3.1
151.07529	5.5
153.05492	1.3
161.05940	1.7
163.03911	11.3
163.07544	15.4
165.05408	1.6
167.06987	1.0
170.51669	0.8
173.05981	8.8
177.05443	1.5
177.09102	1.3
179.03453	1.5
179.07019	6.9
181.04932	3.2
185.05917	1.0
190.08627	17.5
191.07036	59.1
192.07382	1.2
195.06458	1.3
197.08092	1.4
203.06993	3.1
205.04944	1.1
208.09686	100.0
209.10023	1.5
214.68207	0.9
340.11938	0.8
341.10190	6.1
358.12912	3.7
359.11237	6.3
376.13916	35.4
377.14145	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18253	1.1
68.01652	1.3
70.64171	1.6
70.64506	2.7
91.05471	2.9
93.07044	6.1
98.97598	2.3
103.05466	4.6
121.06511	100.0
136.36937	1.1
138.09161	22.4
168.37872	1.4
200.61595	1.1
201.06120	1.1
306.96878	1.2
308.94098	1.3
376.14871	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.238
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03945	5.6
55.01867	8.1
55.05518	19.5
57.03431	10.4
57.07078	2.8
59.04990	4.5
59.84502	2.3
61.02935	12.3
62.60342	2.0
67.05504	10.3
69.03428	38.0
69.07072	41.1
71.05004	10.4
71.24181	4.2
73.02921	4.9
79.05481	6.1
81.03421	14.7
81.07061	31.7
83.04982	9.0
83.08610	10.7
85.02906	81.3
85.06546	23.5
87.04450	5.2
91.03958	4.0
91.05489	5.0
93.07035	14.8
95.08604	45.3
97.02301	2.5
97.02895	37.6
97.06535	5.1
97.10171	13.4
99.04464	5.6
99.08096	21.2
105.07025	4.0
107.08606	29.5
109.02860	9.9
109.10160	19.1
111.08098	4.2
111.11703	7.7
113.09656	8.0
119.08594	2.9
121.10146	38.0
123.11710	8.3
125.09656	9.8
127.03913	20.0
127.11177	2.8
135.11699	16.5
137.13274	18.8
139.11201	5.5
145.04977	14.3
149.13248	3.6
151.14853	8.0
153.12776	12.9
169.08727	1.8
177.16389	100.0
182.01947	1.7
195.17450	41.7
203.89716	1.9
213.16493	2.8
213.18515	48.8
296.10681	1.9
335.27222	2.0
339.21423	2.2
375.23669	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	376.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03440	1.4
64.13457	0.7
64.83228	0.6
68.99800	1.5
69.94698	2.1
70.06601	2.7
79.05498	0.9
81.07046	1.5
83.01346	0.7
88.13348	0.5
91.05496	1.6
91.77602	0.6
93.07040	0.9
95.04963	2.1
103.05436	0.9
105.07017	1.8
107.04947	2.4
115.05474	2.0
117.07018	2.2
121.06506	4.3
123.08091	0.6
135.04448	3.4
135.08057	3.8
136.07564	2.8
139.03918	17.7
142.82666	0.6
145.06491	2.2
147.08109	0.6
149.05981	2.5
151.03908	2.6
151.07564	1.2
153.05438	0.9
161.06007	1.0
162.65517	0.6
163.03912	6.0
163.07565	14.4
165.05476	1.8
167.07068	1.0
173.05980	5.5
176.04552	0.6
177.05408	0.6
179.03394	1.5
179.07071	5.4
181.04997	1.8
185.06104	0.7
190.08644	15.3
191.07048	55.0
192.07385	1.5
203.07054	2.5
208.09711	100.0
209.10049	1.3
220.09717	1.3
224.66072	0.6
294.08908	0.6
320.18237	0.6
341.10144	3.7
354.57858	0.6
358.12762	3.0
359.11325	2.0
376.13922	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1653
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
53.03925	1.4
55.01873	1.6
57.03442	1.9
61.02941	1.4
61.05045	1.2
69.03433	5.7
69.77521	7.2
70.06592	1.4
72.08151	1.9
73.02906	1.1
79.05502	3.2
81.03410	2.7
81.07080	1.7
84.08149	1.7
85.02911	14.7
86.09683	2.5
87.04490	1.3
91.05473	11.1
93.07044	5.7
97.02895	3.2
98.20903	2.3
99.04471	1.6
105.07048	11.1
107.03242	1.4
107.05006	1.2
107.08604	17.5
109.02925	2.1
109.10211	1.2
119.08593	31.1
119.82655	1.3
121.10132	9.4
123.08094	1.3
124.03957	2.1
125.04318	1.9
127.03922	3.2
131.08574	10.5
133.06477	1.2
133.10112	2.6
135.08052	3.5
136.03964	1.4
137.06113	1.2
137.09627	4.3
147.08110	8.4
149.09633	10.8
159.08061	1.9
165.09100	11.8
167.10728	3.8
177.09131	9.5
182.12238	1.2
195.10132	16.7
213.11226	100.0
265.13312	1.1
269.08218	1.2
375.16263	1.4
387.51843	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	10.9
55.05503	46.8
59.04986	12.4
60.01438	8.9
67.05512	92.3
69.07069	38.7
69.95200	48.3
71.05001	100.0
79.05486	53.4
81.07070	56.6
82.10366	9.2
83.08621	24.5
91.05478	36.9
93.07045	59.8
95.08596	35.7
97.06516	20.4
97.10186	18.5
103.00941	9.4
105.07021	23.4
107.08589	68.3
109.10152	60.7
117.07010	18.1
119.08594	23.3
121.10145	30.1
125.09615	28.2
128.68152	9.8
130.84216	10.1
131.08557	18.4
133.10089	29.0
135.11711	25.1
149.13286	14.3
151.11200	11.2
155.10681	31.8
159.11722	32.3
168.40311	9.5
173.11797	55.6
173.13029	9.8
174.93480	10.0
177.12747	35.2
187.13289	43.2
193.51160	10.2
196.73186	9.2
202.13054	10.2
203.12729	35.4
209.15434	15.2
241.18050	55.5
275.19916	48.7
289.21506	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	375.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.6
55.01881	7.7
55.05516	12.9
59.05030	2.5
60.84425	2.4
65.03936	3.3
67.05512	16.9
69.03442	6.6
69.07079	12.1
71.05003	11.5
71.50621	3.8
79.05502	38.3
81.03436	4.8
81.07064	58.9
83.04990	18.5
83.08611	4.3
85.02901	3.9
85.06548	8.8
91.05490	26.0
93.07053	77.4
95.04976	12.8
95.08624	29.8
97.06543	19.8
99.04451	20.1
103.05486	2.5
105.07034	51.5
105.07694	3.9
107.04980	11.0
107.08607	39.3
109.02936	2.7
109.06526	36.9
109.10152	8.1
111.04455	4.3
111.08089	12.9
113.06004	4.1
117.07027	5.7
119.08581	33.6
121.06516	92.3
121.10126	11.4
123.04427	2.6
123.08069	8.0
123.11711	5.2
125.05992	9.0
125.09663	3.3
127.07571	11.8
128.06236	3.9
129.07024	9.8
131.08559	8.7
133.06503	4.7
133.10143	23.8
133.63980	3.0
135.04448	8.2
135.08080	21.7
135.11658	3.6
137.06000	8.3
137.09633	6.3
139.03923	3.5
139.07578	11.4
140.08153	2.1
142.07797	8.7
143.07057	3.8
143.08623	12.4
145.10132	10.5
147.08046	7.1
147.11705	63.0
149.09683	4.1
151.03925	9.1
153.09167	6.0
155.08493	2.4
156.09331	4.1
157.08963	2.7
157.10147	17.4
159.06573	3.6
159.08092	2.8
161.09586	4.1
161.13260	14.7
165.12759	14.1
166.07826	2.9
171.11697	22.5
173.09666	5.6
173.13301	3.3
175.11208	27.2
181.10164	6.4
189.12741	36.4
193.12239	24.9
199.11195	32.2
207.13806	29.0
211.13333	7.5
213.18466	2.3
217.12253	100.0
235.13318	89.4
235.43333	2.4
253.14369	31.2
338.68042	2.3
375.14850	4.0
391.65280	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27642	1.2
69.03423	1.5
70.06597	1.8
70.96980	2.8
70.97351	2.3
81.03442	1.6
85.02906	7.9
89.06033	62.4
96.04512	2.1
97.02922	2.0
107.07079	4.6
124.04006	6.1
127.03899	2.3
133.08614	20.3
136.03954	1.4
140.07001	1.5
151.09711	4.2
162.89923	1.4
177.11223	4.2
180.06564	2.1
190.69159	1.2
195.12291	100.0
198.07671	4.3
234.98911	1.3
379.27170	1.5
398.27219	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	42.5
56.70371	12.3
67.05511	100.0
69.07055	37.9
69.95285	67.3
71.04983	86.9
79.05492	59.0
81.07044	54.7
82.13517	13.0
83.08614	23.6
85.06604	15.1
91.05470	34.6
93.07047	63.3
95.08610	44.9
97.06532	23.1
97.10152	22.9
98.21508	14.0
105.07018	29.9
107.08596	52.8
109.06508	15.6
109.10160	74.6
109.47074	12.4
119.08582	16.4
121.10136	29.7
125.09621	23.9
133.10162	23.2
134.44359	12.0
135.08080	17.6
135.11714	23.4
149.13272	19.5
155.10645	43.1
159.11617	13.1
168.09512	16.7
173.11810	93.9
175.39714	13.0
177.12798	24.9
187.13290	58.8
203.12836	32.4
209.15401	23.9
241.18045	17.6
264.56949	13.2
265.68311	13.9
275.20117	33.5
301.65427	12.6
309.62497	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	374.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
55.01857	3.0
57.03426	1.5
61.02922	3.0
65.03956	2.0
69.03432	14.5
70.06578	4.7
70.56207	2.4
70.56568	2.6
71.04967	1.9
71.35577	1.1
73.02914	1.9
81.03426	10.7
84.04498	5.1
84.08144	1.3
85.02914	43.6
86.09715	18.0
87.00835	18.3
87.06443	1.1
91.05491	100.0
91.92333	1.0
93.07037	1.4
97.02898	15.8
99.04446	6.1
102.05534	1.3
105.01208	1.5
105.01878	25.9
105.07046	2.8
107.05029	1.2
108.04478	3.0
109.02879	12.0
114.27710	1.2
115.03899	1.7
116.07126	1.5
117.05612	1.3
121.06487	2.9
124.07567	4.0
127.02437	1.2
127.03931	31.1
127.47562	1.2
128.06166	1.4
129.01830	1.3
129.68361	1.0
130.06535	2.0
131.06819	1.1
132.10179	3.6
136.61174	1.2
137.05960	2.9
138.18271	1.3
139.08632	2.2
144.08087	2.5
145.04976	16.4
147.02943	1.9
151.03909	2.9
151.05060	1.4
154.06512	3.7
156.04463	1.7
157.06439	1.5
157.07669	1.9
158.07999	1.3
159.02890	8.0
162.21884	1.6
171.08034	1.7
175.07567	2.5
176.10748	2.0
177.09109	1.6
182.05986	1.8
184.09705	2.3
188.07167	5.7
189.03947	2.9
194.11754	2.2
197.12830	1.6
199.07504	1.6
214.08528	3.7
215.13902	5.7
231.04912	7.3
231.11246	2.6
243.13431	4.0
246.47784	1.3
248.07707	1.9
249.06201	1.5
297.12292	3.0
314.02783	1.3
325.11823	1.6
357.14447	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	3.6
69.35775	6.7
69.36186	18.1
70.06580	3.6
71.71594	3.3
72.08144	4.3
79.01835	3.4
79.63958	2.9
80.96769	2.8
84.08138	6.4
85.02899	3.9
86.09722	7.4
97.02908	4.4
98.97555	5.0
121.06523	100.0
124.03989	5.0
127.03940	3.4
138.09145	30.0
153.01849	38.8
154.02202	6.4
166.08716	3.9
194.08186	6.0
212.09273	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	374.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61207	0.9
51.02413	1.2
52.14060	0.8
53.03958	3.0
55.01897	1.1
55.90642	0.7
60.27449	0.8
61.02948	0.9
65.33893	0.7
67.05538	0.7
69.03432	9.6
69.07088	0.9
70.06596	2.4
70.32527	2.6
71.05000	1.8
72.08157	1.1
78.03458	12.2
80.05052	1.7
81.03425	15.4
81.03880	1.3
82.06597	1.1
84.04533	1.4
84.08157	1.6
84.18731	0.7
85.02917	12.6
86.09709	12.8
86.10178	1.0
91.05493	1.2
96.04502	10.0
97.02905	7.1
99.04517	2.4
105.07037	1.1
106.02923	50.6
107.08607	1.6
107.23082	0.9
108.04497	1.6
109.02878	9.7
110.30818	0.8
113.06062	1.1
119.06152	0.9
119.08618	1.9
120.08118	0.9
124.03963	100.0
125.04311	1.0
127.03924	32.1
130.06572	0.8
131.08609	0.9
134.09688	1.0
136.03944	6.5
136.07611	1.1
138.09187	1.1
139.03949	1.3
140.07080	1.0
141.29988	0.8
145.02882	1.7
145.05037	1.4
149.06030	1.0
149.09778	0.8
150.05443	0.9
150.94334	0.8
154.04988	5.9
166.05077	1.9
176.10747	1.3
177.05518	5.4
177.09187	1.4
181.04985	1.2
182.05365	1.8
194.11836	2.8
195.06613	2.3
199.18112	3.2
212.09450	1.1
212.12808	11.8
213.11273	4.3
227.17632	1.7
232.06047	6.6
250.07117	21.8
250.09476	1.6
268.08176	35.1
269.08670	1.0
280.08310	1.4
298.09369	1.1
301.48611	0.9
339.09622	1.2
356.12769	1.6
374.14343	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	374.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86539	0.5
57.03423	3.3
58.87379	0.5
69.03468	0.6
69.46080	2.1
69.46516	1.9
70.06588	2.3
71.01354	4.6
71.06936	0.9
72.08163	1.2
73.02922	5.6
78.03455	5.8
80.05020	3.1
84.08144	0.7
85.02912	10.2
85.47664	0.5
86.09723	1.0
88.59164	0.5
89.06052	2.4
95.01332	5.8
96.04494	2.4
97.02899	1.4
99.00818	1.1
101.02397	2.0
103.03947	1.7
106.02922	20.8
107.10085	0.5
109.02863	0.4
113.02380	4.9
124.03958	100.0
125.04321	0.6
127.03912	0.6
129.10222	0.5
131.03427	2.6
133.08636	1.4
135.12463	0.5
139.03905	0.7
141.01830	12.5
153.01859	1.0
154.04967	5.0
159.02892	1.5
169.13490	0.5
178.97922	0.5
180.06555	17.3
182.05429	0.5
184.91022	0.5
195.12306	3.7
198.07623	95.7
199.07834	0.6
212.09230	0.9
280.08148	0.6
374.10773	5.7
374.15176	0.9
374.20895	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26243	1.1
57.03422	1.7
61.02932	2.0
61.44037	1.0
69.03427	3.8
70.06592	2.6
70.37538	3.6
70.37881	1.0
72.08160	2.2
74.69514	0.9
79.05488	2.3
81.03413	2.5
84.08157	2.2
85.02908	13.4
86.09713	2.0
89.03900	3.1
91.03997	1.5
93.00422	1.0
97.02895	4.3
99.04480	1.1
103.25023	1.1
105.07030	1.4
109.02901	1.2
112.03956	1.8
116.07118	1.3
117.03383	13.6
121.06502	1.4
123.04451	1.2
124.07636	1.2
127.03921	3.4
134.03625	1.6
135.04460	1.3
140.03471	2.7
142.57906	1.3
145.02859	41.1
145.04866	2.7
149.05930	6.1
152.07072	1.4
153.01834	1.6
153.05537	1.2
161.18947	1.1
163.03952	3.0
172.05019	1.6
177.05478	100.0
178.05855	1.1
195.06548	44.3
212.09625	0.9
212.12875	1.4
233.08035	1.4
279.08640	1.2
326.22720	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.5
55.01863	11.9
55.05504	17.0
57.07078	5.8
65.87302	4.5
67.05504	38.6
69.03439	23.6
69.07069	31.6
69.50795	4.8
70.06583	33.1
71.04997	18.4
71.51002	8.3
72.08138	13.5
79.05497	38.0
81.03417	8.3
81.07063	100.0
83.04976	14.9
83.08608	13.0
84.08154	9.5
85.02921	10.5
85.06559	25.7
85.54625	3.9
86.09707	52.7
87.10782	4.1
91.05474	28.2
92.77260	3.8
93.07042	76.8
95.04984	32.9
95.08620	76.5
97.06561	28.2
97.07055	4.0
99.04433	5.4
99.08106	9.1
101.06038	4.1
103.05474	12.4
105.07040	43.5
106.15691	3.9
107.04968	24.1
107.08605	54.1
108.40282	4.4
109.06518	23.6
109.10170	67.3
111.08083	38.3
111.11688	5.5
113.03493	5.2
113.06024	5.5
113.09647	4.5
115.05465	6.0
115.07555	5.9
117.07015	9.0
119.05040	4.4
119.08595	34.9
120.08115	31.9
121.02858	4.7
121.06509	18.1
121.10139	46.1
123.04446	8.2
123.08061	9.1
123.11694	38.1
125.09637	13.4
127.03946	4.9
127.07565	5.4
127.34807	4.4
130.06543	4.9
131.04955	5.8
131.08566	10.7
133.10143	19.6
135.04408	9.8
135.08046	19.3
135.11676	20.8
137.05942	20.1
137.09654	26.8
137.13258	11.1
137.20964	4.0
139.03909	8.4
139.11180	11.5
145.10101	25.5
147.08070	6.2
147.11661	11.4
149.02361	28.0
149.09607	8.9
149.13234	13.9
153.01851	31.7
153.05527	6.8
153.09077	24.4
155.07069	6.5
155.10669	47.1
155.14310	7.6
159.11728	14.2
161.05984	8.2
161.09657	7.0
161.13287	10.4
163.07607	27.5
163.11234	8.7
163.14804	9.6
165.05557	4.5
165.09114	9.1
165.12773	6.8
167.07063	17.2
167.10643	7.2
168.06642	4.8
169.08604	6.2
171.10168	10.8
173.13248	9.9
175.07614	14.1
177.05370	9.1
179.10693	6.9
181.12210	10.0
187.11180	6.8
189.16321	7.1
191.07054	10.8
191.10652	9.1
193.15941	4.4
195.10222	5.5
201.05301	5.1
201.11232	9.6
203.14154	6.0
203.17953	6.9
205.12154	7.5
209.09706	4.2
211.08629	4.2
215.17986	10.9
225.10219	8.6
235.20444	4.3
239.11835	8.2
251.12813	6.9
279.23224	7.9
291.23157	9.6
295.10709	7.3
301.21710	6.4
309.24213	13.6
313.11746	23.5
319.22800	8.4
323.12744	5.1
325.23941	4.2
327.12610	6.7
337.23822	14.6
341.13962	12.4
355.24915	6.9
373.13739	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	373.2222
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
52.69294	7.5
54.24775	5.9
55.05513	12.6
67.05515	19.2
69.07063	19.5
70.96862	13.2
72.80655	6.2
77.81761	5.9
81.07048	27.7
83.04967	15.3
85.06580	7.8
93.07046	19.1
95.04964	6.6
95.08617	40.0
97.02879	9.2
101.15403	6.9
105.07031	12.0
107.08580	14.8
109.10159	93.0
111.08099	19.6
119.08578	36.7
121.10133	15.9
123.08155	9.9
123.11706	10.4
133.10126	18.9
135.11697	100.0
137.09642	14.4
151.11121	10.3
151.14777	10.8
153.01898	8.1
165.12810	7.4
175.14857	24.9
193.15871	54.0
204.55869	7.1
211.16937	38.1
231.50412	6.5
308.75104	6.7
338.33917	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	373.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19047	0.9
53.03934	1.3
53.26968	0.8
53.77913	0.8
55.01867	1.1
55.05513	5.5
57.03430	2.0
57.07051	2.5
65.03944	1.3
67.05504	14.0
68.99783	2.0
69.03432	2.3
69.07058	3.0
69.29835	0.9
70.55852	1.1
70.56183	1.9
71.04990	1.2
72.57429	0.9
77.83642	0.8
79.05497	13.8
81.03420	1.6
81.07056	17.8
83.04980	4.8
83.08615	2.6
85.02896	3.1
85.06548	13.2
91.05471	12.5
93.07041	15.3
95.04965	3.1
95.08617	11.3
97.06539	2.4
103.05431	1.1
105.07030	18.1
107.04954	2.0
107.08601	13.1
109.02911	1.1
109.06512	10.2
109.10143	6.5
111.04450	2.9
111.08100	1.8
117.07020	4.1
119.04869	1.2
119.08592	11.6
121.06525	2.8
121.10140	9.7
121.36005	0.8
123.04429	11.5
123.08069	3.1
123.11695	1.8
125.05991	19.3
125.09604	2.7
127.03931	5.1
127.07539	5.2
128.06207	1.9
129.07021	1.9
131.04977	1.0
131.08569	11.0
133.06502	1.3
133.10132	8.4
135.04451	0.9
135.08151	1.7
135.11696	4.2
137.05951	5.3
137.09576	1.4
139.03906	9.7
141.06969	1.1
142.07787	1.5
143.08591	5.6
144.73502	1.0
145.10135	11.1
147.08127	1.8
147.11700	9.0
149.05969	1.4
149.09621	1.1
149.13261	2.1
151.03902	13.1
151.07529	1.8
153.01807	4.9
153.05478	18.8
153.06671	0.7
155.03397	27.3
155.07033	8.8
155.08565	3.3
157.10158	5.2
159.08047	1.2
159.11705	11.8
161.09575	2.1
161.13274	4.0
162.68378	1.2
163.07594	1.3
165.09093	5.7
167.03372	1.1
167.07025	3.6
167.08440	1.7
169.04977	2.3
169.10144	2.6
171.11678	3.7
173.09517	1.6
173.11887	1.0
173.13307	2.7
175.07573	3.6
175.11182	1.7
175.14812	6.9
177.09142	1.3
181.08618	1.2
181.10080	1.7
183.11705	2.9
185.13272	5.6
187.11121	1.3
187.14774	2.2
189.09097	1.1
189.16443	3.0
191.10677	1.3
193.08606	19.0
193.10260	1.6
195.11649	2.8
197.13277	2.8
199.14833	3.1
201.12741	1.2
201.16385	10.0
203.10718	1.4
209.13295	2.9
211.09657	100.0
212.09970	1.9
213.12749	1.3
215.17950	3.8
217.12222	1.6
221.13408	2.2
223.14671	1.9
225.16393	1.2
227.10655	1.5
229.12231	2.1
235.14964	2.2
241.12195	1.6
243.13654	1.0
247.13390	1.0
253.19472	1.4
255.13857	2.0
269.15414	1.1
273.14838	1.2
277.19528	2.4
281.15408	1.1
290.02124	1.1
291.21063	4.3
309.22238	2.9
311.23645	1.2
319.20618	4.2
327.23322	1.5
337.21600	25.2
338.22165	1.3
355.22696	29.6
373.13300	2.6
373.23807	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1497
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
53.03941	1.8
55.01882	2.4
55.05514	18.8
57.03453	1.5
57.07085	1.8
59.04994	2.9
61.54686	1.2
65.03546	1.3
65.03937	1.7
66.17178	1.2
67.05499	3.8
69.03423	5.9
69.07066	4.2
70.06583	5.1
71.34894	2.5
78.03476	1.7
79.05496	3.1
81.03411	4.1
81.07050	6.2
82.06602	1.6
83.04983	4.9
83.08630	13.7
84.08161	2.1
85.02904	14.5
85.06538	2.7
86.09723	8.7
89.06047	2.0
89.46357	1.3
91.05485	6.6
93.07033	6.5
95.04962	3.8
95.08611	4.8
97.02890	3.8
97.06548	1.6
98.09702	2.6
99.04494	1.6
99.08092	3.2
100.07638	10.1
100.11269	33.0
101.06051	2.5
103.05468	1.6
105.07072	7.8
106.02913	5.5
107.03300	2.2
107.04981	2.8
107.08598	4.7
109.02895	2.3
109.06521	1.8
109.10151	3.6
110.06062	3.1
111.04450	16.9
112.07603	4.0
119.04942	1.7
119.08591	100.0
121.10152	18.3
123.04495	1.4
123.08082	2.6
124.03978	7.6
125.04308	4.1
125.09645	2.8
126.09179	3.3
127.03902	3.8
128.07083	9.7
130.02939	2.9
130.06532	7.4
131.08586	1.8
133.10091	1.6
135.08084	2.2
137.09634	3.6
138.05486	2.0
139.03934	1.7
139.11052	1.5
140.07050	4.9
145.02864	1.7
147.08047	10.8
147.11684	2.7
149.06007	1.7
149.09630	2.0
151.03937	1.5
152.07089	1.5
153.01857	1.7
157.07600	12.7
161.06021	3.5
165.09128	47.9
167.07118	2.2
167.10739	1.4
177.05501	1.8
182.13858	2.9
182.15422	48.2
183.10194	1.4
192.13814	2.4
193.08600	17.5
193.12213	1.6
204.02927	12.0
209.16531	1.9
210.14906	60.5
211.09685	90.2
214.09840	1.5
222.04089	7.1
224.99771	1.5
225.10307	2.0
227.17526	5.0
228.15962	23.7
239.11568	1.3
242.09306	2.1
245.18657	4.6
251.07344	1.3
253.09758	1.9
267.11371	1.4
269.08493	1.9
274.64423	1.4
313.11810	4.4
327.09729	1.7
331.09286	1.9
337.21194	28.5
355.09268	3.1
355.22302	19.5
373.09644	7.3
373.13962	9.5
373.18582	7.7
373.23410	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	373.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
65.03947	5.4
67.05511	1.9
67.47549	1.1
69.03425	1.2
69.36627	8.2
70.06606	2.1
73.04760	1.5
82.04185	1.6
83.04955	1.3
84.04499	1.2
84.08104	2.4
85.02908	3.9
86.09711	1.3
91.05849	2.1
93.03374	2.2
95.02485	1.5
96.84195	1.1
97.02905	1.1
97.06554	1.8
98.20766	1.6
107.04933	2.4
110.03672	3.3
111.04413	1.7
113.03481	2.7
116.07016	1.3
122.03584	1.2
125.02274	1.0
125.06000	2.3
126.81654	1.1
135.98341	1.0
136.07605	1.5
137.05981	6.9
138.03134	2.8
140.04713	2.3
142.02597	2.0
146.62234	1.0
153.01833	9.5
153.05435	1.4
161.22878	1.1
163.07570	2.2
171.06604	2.4
181.04965	100.0
182.05440	1.8
211.14551	1.5
238.14746	1.0
247.73543	1.0
287.00592	1.8
355.15128	2.1
373.14648	2.0
393.33417	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
58.17576	0.4
59.24624	0.4
65.03910	0.6
67.05489	1.2
69.03422	0.6
69.54431	0.8
69.54842	1.8
70.06580	0.8
77.19906	0.4
79.05487	0.4
81.03395	0.4
81.07063	0.5
83.06093	1.8
84.04494	1.9
84.08134	0.5
85.02925	0.7
85.06525	0.4
86.09708	5.1
91.05483	0.6
92.77859	0.4
93.07041	0.4
95.04949	1.1
95.34476	0.4
98.20742	0.8
100.07617	0.7
100.11227	1.2
101.11602	0.5
105.07073	0.4
105.69271	0.4
107.08580	0.4
108.02126	1.0
108.04507	0.7
109.10149	0.7
111.04434	0.9
111.08095	0.7
121.02853	1.2
121.04023	0.6
121.06526	0.4
125.09567	0.4
128.07095	0.7
129.06628	0.8
129.10292	0.4
132.10194	1.7
136.01482	0.4
136.55981	0.4
137.05978	1.2
149.02342	8.3
151.03922	5.1
168.06645	0.9
174.05365	0.4
179.03407	100.0
180.03738	1.2
182.15437	1.2
183.15709	1.3
193.12051	0.5
196.14439	1.2
197.12885	1.1
201.05478	0.8
204.02925	0.8
210.14886	1.7
211.15372	1.0
214.15494	0.8
228.16121	0.5
229.16255	0.6
254.31129	0.5
300.04120	0.4
338.21609	1.4
355.23566	1.3
356.22507	0.5
373.14270	1.4
373.18420	5.3
376.96240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.05501	0.9
65.03931	0.7
67.05511	1.2
69.03423	0.9
69.07060	0.6
70.06600	1.3
71.49727	0.2
71.50555	0.2
72.08144	0.8
79.05486	0.4
80.05021	0.3
80.69881	0.2
81.03419	0.5
81.07050	1.1
83.04969	0.6
83.06107	2.2
83.08614	0.6
84.04510	2.8
84.08135	1.0
84.08955	0.3
85.02908	0.9
86.09712	5.8
91.05443	0.4
93.07054	1.0
95.04968	1.0
95.08591	0.5
97.06518	0.4
100.07609	0.7
100.11260	1.0
101.07185	0.5
101.11595	0.3
103.05499	0.2
105.03380	0.5
105.07030	0.5
107.04939	0.2
107.08585	0.7
108.02082	0.6
108.04469	0.9
109.02837	0.3
109.06496	0.4
109.10152	1.2
111.04415	1.1
111.08044	1.1
117.06960	0.2
119.08578	0.3
120.08090	0.3
121.02856	1.2
121.06499	0.5
121.10150	0.4
123.04433	0.4
123.08099	0.3
128.07082	0.6
129.06609	1.4
131.08661	0.3
132.10243	2.0
133.10086	0.4
137.06017	1.1
139.03946	0.3
146.06010	0.7
147.04440	0.3
147.11630	0.3
149.02350	7.3
151.03908	4.5
152.10709	0.4
154.02646	0.5
155.10722	0.3
161.02878	0.2
168.06558	1.0
169.13411	0.3
173.04692	0.4
173.06006	0.5
174.05650	0.3
179.03403	100.0
180.03783	1.2
182.15414	1.5
183.15787	1.2
196.14468	2.9
197.12930	1.7
201.05458	1.8
204.02826	0.4
204.06554	0.3
206.08192	0.4
210.14896	1.5
211.13284	0.4
211.15236	1.9
214.15498	1.1
222.04091	0.4
224.13948	0.8
228.15900	0.4
229.16367	0.3
242.15033	0.5
245.18591	0.3
246.18985	0.3
265.08649	0.3
318.11551	0.3
325.10733	0.6
329.15518	0.3
338.21371	1.1
350.03979	0.2
355.23538	1.5
356.22635	0.6
373.14279	1.1
373.18390	3.5
373.25919	0.5
374.30490	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.05515	7.9
56.91771	0.2
69.03403	0.2
69.35654	1.0
69.36080	0.4
83.04984	100.0
84.05315	0.8
86.09706	0.2
91.05485	0.4
93.07043	0.7
95.08541	0.2
103.05476	0.4
121.06512	8.6
153.01836	3.3
207.90825	0.2
208.06389	0.2
235.06018	26.0
236.06299	0.5
240.83684	0.2
254.78029	0.2
282.21658	0.2
290.10187	0.7
355.11734	0.5
372.14600	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01857	1.1
56.05027	0.6
57.03428	1.1
67.05524	0.8
69.03433	8.0
69.07070	2.7
70.06596	13.8
71.04993	0.9
71.51270	0.9
73.02927	0.8
74.58698	0.5
78.03459	10.1
80.05009	1.3
81.03422	11.7
81.07066	0.6
83.04990	0.6
84.04511	2.5
84.08126	1.0
85.02908	7.1
86.09708	6.9
87.08123	0.9
93.07041	1.1
96.04500	11.4
97.02892	4.5
99.04470	2.1
105.09167	0.6
106.02915	39.6
107.04944	0.9
109.02891	6.4
119.04945	0.6
121.06479	0.6
124.03956	100.0
125.04282	0.7
127.03909	5.6
135.08044	0.6
137.05959	0.8
138.09172	0.7
146.05931	0.5
146.11752	4.9
153.01808	0.6
164.07130	1.5
166.05077	2.4
181.09769	2.8
204.02956	1.0
209.09232	2.4
210.14833	0.6
232.06062	3.8
243.17111	0.6
250.07117	18.4
268.08176	40.2
289.32544	0.6
372.17102	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	372.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
51.81266	0.6
53.03939	2.6
55.01860	0.9
57.03440	1.6
61.02914	0.9
65.98106	0.7
69.03436	6.9
69.07079	3.6
69.86667	1.5
69.87072	2.5
70.06592	12.9
70.33356	0.6
71.04992	1.2
72.07726	0.6
72.08134	1.2
73.02919	1.2
78.03454	10.8
81.03423	10.8
81.07069	1.4
83.05001	0.7
84.04494	2.5
85.02904	6.5
86.09709	6.4
87.08105	1.2
93.07063	0.9
95.08593	0.8
96.03909	0.9
96.04496	12.9
97.02911	5.0
99.04457	1.5
105.07030	0.9
106.02922	37.5
107.08578	1.1
109.02880	6.4
111.04472	0.7
119.08614	0.8
121.06506	0.7
124.03960	100.0
125.04242	0.8
127.03913	7.6
137.05983	1.0
138.05547	0.9
146.11739	5.6
164.07057	1.5
166.05032	2.2
181.09723	2.1
189.89514	0.7
204.02983	1.4
209.09222	2.4
210.11282	0.8
214.05000	0.9
222.03960	1.3
232.06123	4.8
246.91502	0.7
250.07117	18.5
268.08163	40.9
269.08588	1.6
372.16949	2.8
373.10162	1.2
373.31705	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
55.01876	0.9
55.05512	2.9
57.07075	0.8
67.05508	2.4
69.03423	3.7
69.07070	1.7
72.08155	1.0
73.06548	1.4
79.05489	1.3
81.03417	0.8
81.07072	4.8
83.04977	2.3
85.02891	1.6
85.06554	2.9
86.09703	1.0
87.04475	4.8
89.06036	100.0
89.84995	0.7
91.05428	1.0
93.07053	4.3
93.81560	0.8
95.04965	1.6
95.08604	4.9
97.06535	1.8
98.06049	1.9
98.21548	1.9
100.07642	0.9
103.05505	1.1
105.07014	4.0
105.08070	0.8
106.02936	1.8
106.87384	0.8
107.07117	1.2
107.08604	6.0
109.06512	2.9
109.10149	2.2
111.08096	7.6
116.07106	2.0
119.08657	2.0
121.06530	1.1
121.10152	4.5
123.08066	1.6
123.11737	2.0
124.03945	2.8
125.09634	6.8
131.07047	1.5
131.08577	2.6
133.08614	48.7
133.10188	2.6
135.08051	6.0
135.11702	2.6
137.06010	0.9
137.09657	1.1
139.11174	1.3
145.10139	2.0
147.11719	1.4
149.09647	3.0
149.13258	1.4
151.11171	1.5
153.09164	4.0
158.10840	1.1
159.11684	1.2
161.09622	1.0
163.11235	1.4
163.14777	1.5
167.07115	1.0
167.10715	2.5
173.13266	5.6
177.11223	9.6
177.12703	1.3
189.16498	0.9
191.14317	18.9
192.64661	0.8
209.13477	1.5
209.15396	22.4
221.13937	1.1
249.19012	0.8
268.07993	1.0
289.21552	1.4
307.22748	1.9
335.22131	1.6
353.23245	2.0
371.16199	4.3
371.20972	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	371.2069
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03941	1.7
55.01880	2.6
55.05504	4.5
57.03420	1.3
57.07071	1.9
60.49430	1.0
67.05492	5.0
69.03091	1.3
69.03436	15.8
69.07063	6.0
69.61156	6.9
71.01355	1.0
71.04984	1.8
72.08143	2.3
73.06552	1.9
79.05494	6.0
81.03423	1.5
81.07049	10.5
83.04987	12.7
83.08583	3.4
84.08131	1.3
85.02915	5.1
85.06533	6.6
85.29924	1.1
85.30446	1.3
87.04456	4.7
87.37483	1.2
89.06037	100.0
91.05477	4.2
93.07043	10.3
94.53295	1.1
95.04962	4.6
95.08620	12.9
95.34578	1.1
97.02867	3.2
97.06509	3.1
99.04441	2.1
99.08097	1.3
103.05460	1.7
105.07043	8.9
107.07067	1.3
107.08603	20.4
109.02858	1.6
109.06523	8.7
109.10133	5.5
111.08090	15.2
115.03876	1.4
116.07075	1.9
119.08573	4.8
121.06510	2.3
121.10155	12.5
123.08063	4.4
123.11678	4.7
124.03948	4.7
125.05949	1.2
125.09641	31.2
125.10557	1.5
127.03915	3.7
127.55351	1.1
131.08559	7.3
133.08618	49.4
133.10107	10.6
135.08052	20.7
135.11699	6.2
136.08752	1.2
137.06088	1.1
139.11166	1.4
145.04909	1.1
145.10083	6.6
147.11671	2.8
149.09616	15.6
149.13263	6.0
150.10405	3.3
151.11189	2.0
153.09100	11.1
158.10925	4.7
161.09618	2.6
163.11215	7.8
163.14824	5.9
165.12761	2.1
167.10638	3.9
173.13280	23.3
176.12042	1.7
177.05460	1.7
177.11261	6.5
191.14319	92.4
192.14653	2.6
209.07939	2.4
209.15384	96.2
210.15718	2.2
214.05682	1.2
227.86835	1.2
258.57239	1.1
268.08234	1.3
268.98044	1.1
307.22726	1.3
335.22070	1.4
340.23373	1.1
353.19586	3.7
353.23358	1.6
355.06635	1.4
371.16214	5.8
371.20663	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	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.8
55.01874	8.3
55.05519	11.0
57.07069	3.4
59.04995	5.5
64.15277	3.3
67.05517	20.1
68.99809	3.7
69.03422	26.6
69.07077	15.8
69.80984	19.8
70.06597	7.7
70.35216	3.7
71.05003	10.2
72.08160	9.1
79.05496	20.4
81.03417	6.3
81.07085	36.7
83.04990	21.8
83.08625	9.3
84.08138	7.3
85.02908	18.7
85.06557	12.6
85.35971	3.9
86.09714	8.7
91.05456	22.3
93.07040	34.9
95.04990	23.2
95.08620	30.1
96.45622	3.7
97.02908	9.6
97.06560	11.2
97.10175	3.8
99.04462	4.5
101.06026	7.6
105.07037	39.9
107.04964	28.4
107.08611	34.5
109.02958	6.0
109.06538	16.0
109.10177	28.8
111.04500	5.0
111.08118	20.9
115.05478	5.4
119.08582	18.9
121.02888	5.3
121.06529	16.8
121.10155	100.0
122.03584	5.1
122.06042	3.9
123.04460	9.8
123.08115	12.9
123.11749	10.4
125.05978	7.6
125.09680	4.8
127.03880	5.0
129.05486	6.9
129.07010	9.1
131.04950	5.5
131.08592	11.1
133.06577	6.0
133.10161	31.4
135.08096	22.8
135.11717	11.2
137.05992	40.2
137.09634	23.9
139.03941	7.2
139.11201	5.6
141.06979	5.3
144.05801	4.9
145.10159	7.4
147.04463	5.5
147.08107	7.4
147.11714	17.5
149.09630	8.2
149.13298	9.4
151.03912	11.7
151.07570	8.8
151.11223	5.3
153.01851	30.0
153.09186	7.0
156.05760	7.2
159.08078	9.0
159.11748	6.5
161.05989	7.7
161.09683	5.4
163.03931	6.5
163.07529	7.8
163.11182	9.0
163.14836	7.3
165.05568	5.2
165.09119	10.5
165.12828	13.1
167.07069	24.8
173.13335	12.4
175.07619	9.3
181.05023	9.0
187.07622	8.1
191.10693	6.4
191.14355	67.4
193.04945	4.5
206.07219	8.5
209.08083	5.0
209.15312	25.1
210.14664	5.5
213.27876	4.4
217.08734	27.4
218.07257	5.0
219.10190	15.6
221.09544	5.0
233.09622	5.7
234.06854	5.8
239.07031	6.2
247.09712	9.3
249.09116	11.6
261.09235	11.8
265.08698	5.2
277.08646	8.4
285.00986	6.9
289.08560	5.3
293.08478	9.4
293.11710	9.0
309.11322	10.7
311.09323	5.8
317.21136	7.3
321.11316	11.5
326.11560	9.5
335.22238	8.9
339.12469	23.0
348.02545	7.3
353.13962	14.5
371.15256	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88490	4.9
53.03937	13.8
55.01856	10.4
55.05511	24.6
57.07065	5.5
59.05002	7.1
63.20278	5.3
67.05501	17.1
69.03423	21.8
69.07069	17.8
70.06590	6.1
71.04970	11.1
73.04769	8.8
77.49950	5.6
79.05486	23.1
81.03418	8.9
81.07047	37.3
83.04974	24.3
85.02901	30.7
85.06569	9.9
89.06053	8.9
89.52669	6.6
90.01895	9.5
91.05448	17.7
93.07038	23.6
95.04975	98.5
95.08604	30.0
97.02895	6.5
97.06501	7.5
98.21513	15.3
99.04457	20.9
101.06030	11.9
105.00130	12.6
105.07048	34.6
107.04935	6.5
107.08595	41.9
109.02853	11.5
109.06538	10.6
109.10159	24.6
111.04471	7.9
111.08077	8.4
119.04943	6.4
119.08576	12.6
121.06512	21.8
121.10152	25.6
123.08054	13.4
123.11716	10.1
125.06025	9.3
125.09669	10.2
127.03870	11.7
128.06181	9.9
129.05585	6.8
129.07002	7.0
131.08560	10.9
133.10132	27.8
135.08063	21.3
135.11682	13.8
137.05992	17.9
137.09624	12.0
139.03954	9.3
147.04341	9.1
147.08064	7.4
147.11676	25.7
149.09639	21.0
149.13231	7.3
151.11224	11.2
152.14307	8.3
153.01840	14.8
153.09079	34.7
154.02367	6.6
159.07864	7.8
161.06071	8.3
167.07077	13.7
173.13327	7.5
177.05435	6.9
181.05051	8.3
181.12346	7.0
191.14317	87.2
209.15395	100.0
217.08537	14.2
230.08186	14.1
237.10135	7.0
249.09134	8.6
276.07968	5.9
277.08472	7.3
339.12234	6.9
371.15414	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.2
61.02918	2.8
61.23921	1.9
66.98717	1.6
67.05540	2.5
69.03444	4.7
69.18907	1.8
71.04993	4.2
71.16422	4.1
75.11005	1.7
77.84441	2.1
81.03415	3.4
83.04977	2.3
85.02897	10.4
93.07042	2.1
95.04974	100.0
95.08631	3.4
97.02884	3.0
99.04471	22.6
105.00058	1.7
105.07020	3.1
107.08590	5.7
109.10134	4.0
119.08657	2.7
121.10132	4.3
133.10138	4.2
135.08116	2.1
151.11220	4.8
152.14345	2.8
153.09111	37.5
163.14810	1.9
173.13309	2.7
191.14304	8.5
196.48340	1.7
209.15367	31.7
366.38443	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41754	9.3
55.05533	12.3
67.05502	11.8
69.07074	14.6
70.63342	20.3
70.63666	11.1
73.90703	9.1
79.05470	27.7
81.03423	15.0
81.07040	39.9
85.02890	20.2
89.06027	9.6
91.05484	18.7
93.07049	34.3
95.04948	10.6
95.08616	23.3
96.57854	9.7
105.07015	26.1
107.08617	73.3
109.06519	14.7
109.10187	16.1
113.08992	9.1
121.10133	38.2
133.08633	12.5
133.10156	100.0
135.08040	15.2
135.11760	12.9
137.09612	54.2
148.58745	9.7
163.14781	28.8
167.06979	16.8
176.50722	10.9
191.14349	58.3
195.41229	9.5
209.15431	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	371.2066
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03940	2.1
55.01872	1.7
55.05507	2.8
57.03419	3.6
61.02911	2.7
67.05494	3.3
69.03432	13.1
69.07054	2.9
70.75956	1.7
71.04989	1.8
76.18069	0.9
79.05482	3.4
81.03415	7.5
81.07082	5.8
83.04980	3.8
85.02905	27.9
86.95985	1.0
87.04482	1.2
91.05482	2.8
93.07036	4.6
95.04959	5.1
95.08614	7.6
97.02885	9.9
99.04443	2.5
105.07011	5.2
105.82430	1.1
107.04919	1.6
107.08586	9.3
109.02882	3.4
109.06506	6.4
109.10131	4.7
111.08112	1.1
116.15779	1.1
119.08580	2.9
121.06516	1.5
121.10136	12.7
122.07313	1.6
123.08096	6.3
123.11708	3.7
127.03907	4.8
131.08601	1.8
133.10101	3.6
135.08044	3.5
135.11713	2.5
137.05971	1.5
137.09621	12.7
137.13260	1.2
141.46764	1.0
145.04941	5.2
145.10165	1.5
146.90189	1.0
147.11656	2.7
149.09618	9.2
149.13246	4.1
151.11205	14.9
153.01840	11.4
163.14839	1.9
165.12759	44.2
166.13077	1.1
173.13300	2.1
191.07047	1.4
191.14330	13.0
193.15768	1.1
209.08105	27.6
209.15373	100.0
210.15648	1.6
283.09589	1.6
292.92233	1.1
328.13138	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.1
55.01880	3.5
55.05504	9.3
67.05501	8.1
69.03429	4.5
69.07058	6.4
70.06574	2.1
70.84563	6.0
73.04755	2.2
79.05506	12.2
81.07047	14.2
84.04521	2.9
85.02930	2.5
85.91718	2.2
87.07187	2.3
91.05437	13.0
93.07030	8.4
94.04205	4.6
95.04945	7.6
95.08613	5.8
101.06017	3.3
103.05464	3.6
105.07024	6.2
107.04955	18.1
107.08577	5.3
109.02873	2.8
109.06518	4.8
109.10140	6.0
111.04443	4.5
113.46156	2.2
115.05459	4.9
116.06225	3.7
117.07000	5.4
119.04958	2.7
119.08572	3.6
121.06487	4.1
121.10101	3.8
122.03633	10.1
122.76980	3.1
123.04478	3.2
123.08091	2.6
124.05257	2.7
125.05987	2.6
125.09622	3.5
128.06242	5.3
129.05461	4.7
129.07039	13.8
131.04967	3.3
131.08583	13.6
135.08078	3.0
137.05988	100.0
139.03900	2.5
141.07036	4.9
144.05705	8.7
145.06485	2.6
147.11703	3.3
149.05983	5.2
151.03908	5.7
151.07556	6.2
152.04597	3.0
153.01863	4.7
153.05421	2.5
156.05710	26.4
157.06477	7.2
158.07344	5.4
158.79646	2.2
159.08066	20.6
159.11687	3.8
160.05141	3.2
161.06018	5.1
163.03923	2.5
163.07500	2.8
165.05499	3.3
165.09004	2.4
167.07062	41.2
169.06473	3.3
172.05270	4.1
174.06738	9.2
175.07559	10.5
177.05502	6.3
178.07733	4.4
179.07130	4.1
184.05214	4.7
186.06723	3.3
187.07591	19.1
188.43610	2.7
189.06989	4.5
189.09094	7.5
190.06310	2.7
190.07809	5.7
191.10625	2.8
195.06419	3.5
196.05112	2.6
198.06786	2.7
201.09032	3.4
202.06229	7.4
203.08569	6.3
205.06673	4.2
205.08508	5.0
205.10312	3.2
206.07289	6.0
207.08041	4.8
215.06912	5.0
215.08682	6.0
217.06723	3.6
217.08607	76.7
218.07317	13.2
219.08102	5.8
219.10118	4.9
221.09598	5.7
223.07593	4.8
224.04674	2.7
226.06213	5.7
227.07146	2.6
231.08063	8.0
232.08835	4.6
233.09662	15.7
234.06761	12.0
235.07515	12.5
237.05544	3.2
238.09915	3.9
239.07002	19.1
241.08560	15.8
242.05701	4.6
244.05605	2.5
246.06749	5.6
247.07399	5.4
247.09653	29.5
248.08174	3.8
249.09103	20.2
250.06009	2.6
250.09598	3.1
251.06769	3.6
251.10605	3.0
252.07764	10.2
255.06561	2.6
256.03729	3.4
257.08066	4.5
260.08466	6.3
261.09091	26.8
262.06326	6.6
263.06970	10.8
263.10699	4.8
264.07828	4.7
265.08563	3.8
266.09332	7.4
267.06714	2.6
267.10156	3.2
269.08072	7.9
271.06079	6.7
276.07819	3.0
277.08682	22.8
278.09390	14.0
279.06485	3.6
279.10056	3.3
280.07364	6.6
281.11700	7.0
285.07590	47.9
286.08160	3.3
289.08667	10.1
291.06595	2.7
291.10052	5.9
293.08258	5.1
293.11716	22.1
294.08688	3.8
295.09677	5.8
296.10446	3.2
298.08328	3.2
300.09930	45.9
301.10757	19.3
305.08435	3.1
306.08810	7.3
307.09506	7.9
309.11243	20.3
311.09296	4.0
313.10773	11.2
321.11240	36.8
322.11899	3.5
323.09143	8.3
326.11465	19.0
338.11432	5.6
339.12335	11.0
341.13840	8.7
353.13889	51.4
371.11328	2.4
371.14951	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.01871	2.7
55.05504	4.2
65.03944	1.8
65.62193	2.0
66.36364	1.8
67.05529	2.7
69.03426	2.1
71.04990	4.3
71.51131	2.9
76.89314	2.0
79.05495	11.9
81.07058	5.8
83.04988	3.6
89.06013	2.1
91.05440	10.9
93.07068	3.4
93.82536	2.2
94.04186	5.8
95.04968	2.6
95.08601	5.1
105.07022	5.7
107.04964	17.0
107.08585	4.9
109.06536	6.7
111.04465	2.3
115.05430	3.1
116.06266	2.2
117.06994	3.1
121.06522	3.6
121.10139	3.1
122.03654	11.1
123.04427	3.8
123.07977	2.1
125.06012	3.5
128.06197	5.4
128.11662	2.0
129.07016	16.0
131.04944	4.2
131.08575	13.7
133.10129	3.9
135.11661	2.2
137.05991	100.0
137.73148	2.0
141.06992	4.7
144.05696	9.9
145.06500	5.2
147.11667	2.3
149.05954	2.3
151.03957	4.5
151.07574	5.7
153.01819	3.5
154.36787	2.7
155.20212	2.1
156.05690	21.6
157.06511	7.1
158.07242	4.1
159.08080	19.8
159.11719	2.8
160.05159	3.4
161.06000	2.3
163.03917	2.5
163.07533	2.1
165.06979	2.8
165.55136	1.9
167.07066	40.7
169.06491	3.5
172.05170	4.4
173.06013	4.5
174.06757	7.7
175.07549	11.9
177.05476	5.5
178.07825	4.2
179.07034	3.2
181.06529	4.8
181.08635	1.9
184.05305	4.7
186.06686	4.1
187.07555	22.5
189.06976	4.5
189.09125	7.3
190.06235	3.1
190.07802	5.1
191.08563	3.3
191.10709	2.3
194.49565	2.0
195.06502	2.5
195.08105	4.2
198.06764	3.3
199.07637	3.0
202.06285	6.6
202.07855	4.1
203.06931	3.2
203.08618	10.1
205.06584	3.8
205.08562	5.4
206.07309	7.0
207.08084	7.0
211.07556	5.7
215.06883	4.5
215.08672	5.3
217.06641	4.0
217.08597	75.1
218.07283	14.4
219.08096	9.3
219.10014	3.2
221.09578	8.2
223.07571	4.4
224.08284	3.1
225.08920	2.7
226.06250	5.9
227.06995	3.3
229.08525	4.3
231.08083	8.6
232.08876	7.4
233.05942	3.6
233.09627	20.6
234.06757	12.9
235.07542	13.9
236.08272	2.1
237.05476	5.7
237.09067	5.2
238.09956	3.0
239.07048	16.2
241.08681	19.9
242.05611	4.6
243.08269	2.4
246.06749	3.9
247.07494	7.8
247.09692	26.9
248.08379	6.3
249.09106	27.8
250.09874	6.5
251.06956	5.9
252.07846	13.0
255.06505	3.6
257.08182	4.6
260.08258	4.1
261.09113	29.2
262.06302	7.4
262.09476	2.4
263.07034	14.2
263.09766	2.1
263.10495	2.1
264.07693	4.6
265.08585	11.9
266.09375	13.0
267.10077	2.4
269.08063	8.1
270.08630	2.3
271.06036	8.4
275.10480	3.1
276.07605	3.1
277.08578	22.0
278.06091	3.2
278.09375	13.6
279.06680	5.0
279.10132	4.4
280.07233	9.7
281.08173	4.2
281.11765	8.9
283.09711	4.3
285.07571	44.5
286.08246	2.8
289.08636	9.1
290.09286	2.7
291.06622	3.2
291.10135	4.7
292.07391	2.4
292.10828	3.4
293.08176	6.4
293.11722	25.0
294.08936	4.5
295.09732	4.2
296.10541	3.6
298.08246	2.2
300.09955	50.2
300.13303	3.0
301.10687	14.2
306.08832	7.4
307.09668	6.8
309.11243	23.2
311.09293	3.8
311.12759	5.3
313.10666	11.3
317.21381	2.0
321.11194	34.0
322.11798	4.0
323.09140	7.5
324.09940	2.8
325.10645	2.4
326.11496	18.6
327.12085	2.6
338.11560	5.4
339.12292	37.3
340.12796	2.4
341.13943	11.0
353.13867	49.1
371.11197	3.3
371.14975	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1339
Annotation	sinapaldehyde glucoside
Peak:m/z	Relative Intensity
53.04811	1.0
55.01870	1.6
55.05507	2.8
57.03427	3.5
61.02912	2.6
67.05499	2.1
69.03428	7.2
69.07069	1.8
70.05734	4.5
71.04994	1.6
73.02907	1.3
79.05471	2.1
81.03419	4.4
81.07051	4.4
81.37122	1.0
83.04979	3.5
85.02435	1.5
85.02908	18.5
85.06565	1.9
87.04475	1.5
91.05480	1.6
93.07044	3.8
95.04983	17.8
95.08601	2.5
97.02892	5.1
97.06517	2.8
99.04471	5.3
100.11243	2.5
105.07037	2.6
107.08598	4.8
109.02861	2.7
109.06503	3.3
109.10156	4.0
111.04456	1.5
111.08064	2.1
119.08570	1.2
121.02871	2.5
121.10135	3.8
123.11756	1.5
123.18327	1.0
125.05970	3.8
125.09634	1.7
127.03922	4.2
131.08600	2.1
133.10130	3.7
135.08060	2.4
135.11696	1.9
137.05984	1.3
145.04942	3.2
147.11707	1.3
149.09619	3.3
149.13242	2.0
153.01840	32.9
153.09149	6.1
163.03856	1.7
164.12640	1.0
165.01848	9.9
167.07135	5.2
173.13246	2.2
177.01817	2.3
183.02859	1.6
184.86258	1.2
189.01889	1.3
191.03410	7.6
191.07048	5.9
191.14301	7.5
195.02905	13.0
209.08096	100.0
209.15222	7.0
210.08437	2.0
215.03227	1.9
219.02882	3.2
221.08073	16.6
231.02924	6.5
233.08025	6.5
243.02895	1.4
247.09715	3.7
249.03920	1.8
251.09169	11.9
261.03967	2.5
275.09149	11.6
287.09082	7.9
299.09030	2.0
305.10080	3.1
317.10202	5.0
335.11188	2.5
353.12399	2.0
371.12299	2.1
371.16711	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1341
Annotation	sinapaldehyde glucoside
Peak:m/z	Relative Intensity
54.21930	0.3
55.01874	0.5
55.05519	1.0
57.03441	0.7
57.07071	0.3
59.05002	1.1
60.80221	0.3
61.02929	0.4
67.05502	0.7
68.99809	0.5
69.03441	1.8
69.07062	0.5
70.06606	1.1
71.50476	0.3
71.50938	0.4
72.08160	1.0
73.02919	0.4
73.04757	1.2
73.52698	0.3
79.05485	0.4
81.03398	0.6
81.07057	0.7
83.04994	2.6
84.08146	0.7
85.02911	3.1
86.09714	1.2
91.05447	0.6
93.07056	0.6
95.04955	0.5
95.08614	0.7
97.02890	1.1
97.06544	0.3
100.07635	0.9
100.11266	1.1
105.07034	0.7
107.04995	0.4
107.08609	1.0
109.02853	0.5
109.06535	1.1
109.10221	0.4
110.07149	0.4
111.00826	1.0
111.08081	0.7
112.07598	0.4
112.10289	0.3
117.06966	0.4
121.02854	0.8
121.06499	0.3
121.10206	0.3
123.04424	0.6
125.09645	1.1
127.03930	0.4
129.05554	0.3
130.08670	0.4
133.10129	0.4
135.08083	1.4
137.05983	0.5
145.04915	0.5
149.05925	0.4
150.05550	0.4
151.03893	1.8
153.01836	45.1
153.09081	0.6
159.96388	0.3
163.03885	0.7
163.07559	0.8
165.01830	1.9
173.13269	0.5
176.04665	0.5
177.01993	0.3
182.15417	1.2
191.03455	1.0
191.07033	7.4
191.14291	3.6
195.02866	2.5
196.10555	0.3
209.08098	100.0
209.15321	3.0
210.08435	1.1
210.14902	1.3
219.02933	0.7
221.08124	2.9
227.17560	0.4
231.02927	0.5
233.08124	1.1
247.09641	0.4
251.09180	1.7
261.03915	0.4
275.09180	1.5
285.01068	0.7
287.09161	1.0
289.10709	0.4
296.14856	0.4
305.10254	0.8
317.10233	0.7
337.21167	0.5
354.24069	0.6
371.12576	0.7
371.20438	0.9
371.25760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.6
61.02930	0.6
69.03438	0.9
70.06616	0.7
71.08638	18.9
84.08166	1.1
85.02917	1.2
86.09710	0.6
88.11275	100.0
89.11613	1.1
91.05808	0.7
92.81670	0.5
97.02864	0.7
98.21479	1.0
98.97592	1.0
110.07175	2.0
119.01641	2.5
121.06535	0.6
122.05988	0.6
122.07158	1.7
127.03881	0.7
129.96434	0.4
134.06021	1.8
136.76645	0.5
138.09023	0.5
139.03925	0.7
150.05550	0.8
152.05708	0.6
153.01848	1.5
156.07729	1.6
162.05536	1.4
190.05011	5.9
192.04236	0.5
208.06120	2.6
208.09790	1.3
219.02014	0.7
229.21579	0.5
258.56641	0.6
285.01294	0.6
326.70724	0.5
368.41599	0.6
370.11185	3.1
370.15656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01014	0.4
55.05497	1.4
57.03429	0.7
57.07062	0.7
59.04984	1.0
61.02927	0.7
67.05494	0.7
68.99788	0.6
69.03431	2.3
69.07078	0.6
69.65094	0.9
69.65505	1.8
70.06576	1.5
72.08140	0.8
72.46826	0.4
73.04752	1.1
79.05481	1.0
81.03407	1.2
81.07070	1.0
83.04987	3.2
83.08631	1.1
84.08149	1.7
85.02901	2.8
86.06087	0.5
86.09696	0.7
91.05812	1.4
93.07065	0.7
95.08607	0.6
97.02879	1.1
97.06541	0.5
98.06068	0.6
100.07612	0.9
100.11259	2.1
103.03943	1.0
105.07024	0.9
107.04971	0.6
107.08603	1.6
109.02890	0.7
109.06525	1.0
109.10172	0.7
110.06008	0.6
111.00794	1.0
111.04458	1.4
111.08089	0.6
113.58370	0.5
119.08556	0.5
121.06508	1.0
121.10159	1.2
123.04397	0.8
123.08060	0.7
125.09682	2.3
127.03886	0.9
128.07089	0.7
132.06903	0.5
133.10164	0.8
135.08046	1.6
139.03940	0.5
149.09604	0.8
151.03975	1.2
153.01843	40.5
153.09132	0.5
154.02209	0.5
163.03896	0.9
163.07520	0.7
163.11319	0.8
165.01822	1.5
173.13254	1.8
176.04652	0.8
177.05428	0.4
182.15372	2.3
191.03377	1.0
191.07031	6.2
191.14331	6.3
195.02951	1.5
205.37195	0.5
209.08109	100.0
209.15326	6.1
210.08522	0.7
210.14896	2.5
212.61588	0.5
221.08049	2.6
227.17548	0.9
233.08044	0.8
241.94830	0.5
251.09148	2.1
268.97797	0.7
275.09119	1.7
285.01047	0.7
287.09131	0.9
305.10236	0.9
317.10184	0.6
335.11304	0.9
337.21292	1.2
353.12064	0.6
353.19614	0.5
354.23840	1.6
355.06949	0.5
371.12778	1.0
371.16763	1.3
371.20709	2.5
371.25903	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50517	3.4
53.03951	4.0
53.36716	3.4
55.01870	17.9
55.05269	5.1
55.05515	75.6
57.03440	30.9
57.07070	8.4
66.92368	3.3
67.05509	79.0
69.03413	6.6
69.07065	36.6
71.04977	7.1
71.08634	46.7
71.42492	3.1
71.51224	4.8
72.08141	3.6
79.05492	44.8
81.03410	4.5
81.06590	5.7
81.07066	100.0
83.04972	12.4
83.08138	5.8
83.08627	59.5
84.97061	3.5
85.06561	8.7
91.05482	46.7
93.07058	49.2
95.04971	13.2
95.08617	42.7
97.06560	18.0
97.10166	6.5
99.08105	48.8
105.07043	40.0
107.04944	4.1
107.08618	32.0
109.06551	8.1
109.10165	20.7
111.08082	29.5
113.09653	12.1
117.07021	3.9
119.08590	30.3
121.06507	9.2
121.10136	29.3
123.08107	4.8
123.11706	17.4
131.08549	7.1
133.10150	19.9
134.30151	3.7
135.11688	11.5
137.09645	6.9
139.03876	7.3
139.11201	5.3
145.10161	7.4
147.11691	34.4
149.09613	6.9
149.13281	20.3
151.11217	15.9
153.12758	3.9
157.10121	10.0
159.11624	4.1
161.13301	12.0
163.11270	5.7
165.12741	27.2
175.11217	7.8
179.14349	12.0
195.13931	3.8
210.87189	3.3
231.00426	4.6
241.19676	6.4
249.22240	7.2
259.20538	10.0
261.84744	3.3
277.21652	47.6
295.22635	13.9
351.25491	7.1
369.26523	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2176
Annotation	Methoxyfenozide
Peak:m/z	Relative Intensity
51.93766	5.5
55.05524	9.7
57.07086	9.4
67.05501	14.7
71.51714	11.2
79.05496	12.5
81.07072	16.1
88.70175	6.5
91.05483	17.9
93.07056	11.9
95.08588	9.0
105.07031	16.5
107.08587	9.1
109.06501	7.3
109.10139	12.3
114.35154	6.3
119.06081	6.1
119.08523	8.2
123.08121	6.8
133.06490	20.9
139.03925	11.7
149.05972	100.0
163.03964	6.6
295.22559	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01859	4.3
55.05517	22.2
57.03443	14.8
57.07080	14.6
65.03944	1.9
67.05505	39.9
69.07066	18.9
71.04977	4.0
71.08617	2.2
71.51500	3.0
79.05490	24.6
81.03406	8.4
81.07060	41.9
83.04974	8.0
83.08617	9.9
85.02888	6.2
85.06537	2.5
85.10188	31.7
91.05481	20.9
93.07047	24.8
95.04971	15.5
95.08604	22.3
95.42957	1.8
97.06532	4.8
97.10173	6.0
99.08069	2.0
105.07027	19.1
107.04938	4.7
107.08593	19.2
109.06497	4.6
109.09493	2.4
109.10167	35.3
110.90065	1.7
111.08098	2.9
113.09644	38.2
117.06982	2.7
119.08605	10.8
121.06515	2.6
121.10149	12.1
123.08064	6.2
123.11730	4.9
127.05412	2.1
127.07604	2.5
131.08545	4.8
133.10149	17.3
135.11676	3.4
139.03848	4.7
141.12752	2.1
142.32454	1.8
145.10126	2.5
147.11688	10.6
149.09613	5.7
149.13312	2.8
151.11159	7.6
161.13234	3.3
163.11177	4.8
165.12793	31.9
169.12234	9.6
171.11707	3.8
173.05920	2.0
175.11230	2.1
185.56071	2.0
193.15816	2.5
207.13777	2.6
210.19443	1.9
231.21095	4.6
259.20602	3.4
277.21637	69.6
295.22705	100.0
369.26337	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	369.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23605	0.7
59.47267	0.6
60.69511	0.6
70.00958	2.0
70.06594	1.0
78.07119	0.7
84.04503	2.4
85.20451	0.7
85.38744	0.7
91.05475	4.7
93.07043	3.8
95.01338	4.0
100.93053	0.7
110.06076	1.2
111.08100	4.2
112.03249	1.2
112.03981	21.3
121.06560	0.9
122.06008	0.9
126.59215	0.8
134.09700	4.4
135.08072	1.2
136.06187	1.8
136.07608	5.0
137.05978	1.7
138.05522	0.9
140.07088	1.1
144.08105	1.0
148.07655	0.8
150.09201	0.9
151.08717	0.8
152.10695	2.7
153.39391	0.9
154.08673	1.1
161.05992	0.9
162.05518	2.7
162.09149	25.2
163.07555	1.3
164.07074	5.8
166.04977	2.1
170.18758	0.7
172.07541	1.3
178.08708	1.0
180.10216	22.8
180.34421	0.9
182.08119	3.2
190.08649	12.4
191.09480	1.0
207.11324	3.1
208.09705	100.0
209.10185	1.0
236.50571	0.8
273.12390	1.1
275.13879	2.0
289.11752	1.3
291.13345	1.0
295.12973	9.7
301.11859	10.8
319.12912	49.4
320.13190	1.3
337.13980	2.4
351.15326	2.2
369.16452	4.5
369.20670	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.1
55.01874	9.4
55.05501	8.0
57.03430	3.1
57.07058	2.3
58.12450	2.1
61.02940	2.2
67.05512	5.4
67.92066	1.8
69.03438	15.5
69.07066	7.1
70.06606	4.8
71.51280	2.2
72.08155	2.3
72.62682	1.9
73.02925	3.3
79.05491	5.6
81.03415	5.1
81.07068	7.2
83.04977	7.4
84.08127	5.9
85.02910	18.1
85.06557	3.4
87.04476	3.1
91.05482	12.0
93.07055	9.0
95.04984	4.2
95.08600	8.7
97.02893	5.2
97.06532	4.4
99.04449	4.2
101.05976	2.1
105.07026	15.9
107.05009	2.2
107.08600	12.8
109.02874	7.1
109.06528	6.6
109.10161	4.6
111.08091	59.3
112.24269	1.8
117.07040	2.6
119.04948	5.8
119.08614	13.8
121.06508	5.7
121.10158	11.8
123.04442	3.1
123.08077	5.1
123.11707	3.2
124.03927	2.7
127.03904	5.7
128.06227	3.2
128.82863	2.3
129.10272	2.1
131.08562	3.6
133.10121	18.6
135.08073	7.0
135.11694	2.9
137.09630	10.3
139.03929	5.4
143.08537	4.1
145.04926	3.7
145.10153	4.1
147.04416	7.1
147.08070	2.9
147.11661	12.0
149.09619	18.5
149.13168	2.3
151.11195	39.9
153.09091	2.9
156.09326	4.7
157.06300	2.4
157.10175	2.1
159.08046	12.7
159.11713	3.6
160.08884	2.9
161.05901	2.3
161.09576	5.8
161.13293	12.5
163.11143	11.5
171.11707	6.9
173.13223	2.3
174.10391	36.3
175.03906	6.4
177.05447	3.4
179.10709	2.8
187.11319	3.4
189.12750	100.0
191.14296	20.1
205.79697	1.9
207.06511	11.7
207.11911	4.8
207.13786	42.3
230.92618	2.0
369.15161	11.3
369.19141	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.4
55.05524	8.9
65.32908	4.6
67.05505	27.4
69.03443	9.3
69.07067	11.4
70.25745	17.5
71.04996	6.9
79.05506	24.6
81.07056	36.0
83.05010	6.5
83.08576	4.7
89.36623	4.5
91.05505	24.1
93.07018	21.6
95.04982	9.8
95.08580	23.8
97.02916	5.8
97.06538	6.6
99.04435	9.4
105.07038	100.0
107.08588	13.5
109.10125	9.2
117.07025	10.4
119.05010	5.6
119.08586	15.8
121.06564	6.0
121.10155	12.6
128.06201	6.1
129.07019	11.0
131.08586	17.7
133.06490	6.9
133.10121	13.9
134.98349	4.2
135.07967	7.8
135.11673	5.6
137.09543	5.2
139.03885	8.2
143.08582	9.1
144.09377	7.2
145.10126	60.9
147.08078	8.2
147.11725	7.9
151.11198	6.3
154.18567	4.2
155.08543	5.2
157.10046	6.0
158.07201	4.5
158.44962	4.8
159.08080	7.1
159.11685	27.2
161.09607	10.1
165.12827	5.5
169.10141	6.8
173.09621	24.7
187.11191	17.8
197.09599	5.7
205.12268	44.0
211.15048	5.9
215.10745	25.6
233.11656	12.5
277.21555	10.7
294.33228	5.7
295.22797	5.9
351.23199	5.9
369.24084	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	368.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28783	0.5
53.03957	0.5
55.01887	0.8
55.05521	0.6
56.96563	1.5
57.54686	0.6
61.02937	1.5
69.03446	3.8
70.06603	1.6
70.80354	0.6
71.01498	1.3
71.15947	0.5
72.04518	1.0
72.08172	0.8
73.02922	1.3
75.25835	0.5
81.03426	1.6
84.08150	1.1
85.02913	8.7
85.06569	0.7
88.11282	3.0
91.05499	0.7
97.02904	2.1
97.06580	0.6
98.97593	1.4
106.72845	0.5
109.02870	1.0
118.06618	0.6
126.05573	0.9
127.03936	1.8
132.04462	8.2
134.01569	0.5
139.03897	1.8
145.04999	1.2
146.05873	1.0
147.04514	0.6
147.06393	1.3
147.08014	0.7
153.01880	1.8
160.03946	0.6
174.11348	0.9
178.05011	71.0
179.05322	1.2
188.07031	2.0
189.05939	0.7
189.07413	3.7
202.08679	0.6
202.10660	0.7
203.98204	0.6
205.09671	0.7
206.04506	100.0
207.05009	1.1
226.98738	0.6
231.08479	1.6
237.02892	1.0
291.07178	0.6
305.09033	1.2
310.98746	0.6
323.10107	1.2
350.14270	0.8
351.12683	0.8
368.09262	1.5
368.14508	0.5
390.19556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86448	0.3
55.05511	5.4
56.05038	5.2
57.03439	0.9
62.10286	0.3
67.05521	0.5
67.88920	0.4
69.00893	0.5
69.07064	0.4
69.40492	2.0
69.40911	0.7
69.99315	2.3
71.04982	0.6
72.08160	0.4
73.06548	0.8
79.05477	0.5
79.51223	0.3
81.07042	0.7
82.06555	0.3
83.08611	0.4
84.08142	4.4
86.09705	0.9
87.01949	5.6
91.05489	0.6
96.26749	0.3
98.06063	5.8
99.01932	0.5
99.04449	1.3
100.11293	0.8
104.04978	0.6
105.05781	2.4
106.06564	5.5
123.11770	0.4
124.02898	0.3
127.08685	13.5
129.30074	0.3
129.67673	0.4
133.10147	0.4
139.03911	0.4
141.06593	100.0
142.07024	0.5
142.12285	0.6
148.11168	0.5
153.01843	0.4
157.13347	2.0
169.13374	7.7
182.15425	0.6
207.06544	0.5
210.14920	1.3
246.12419	8.6
269.18704	0.9
288.17090	13.0
368.16379	15.7
368.29181	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.9
55.01874	3.3
55.05519	18.8
56.03157	2.9
57.03441	5.0
57.07075	8.0
59.04987	4.8
65.03945	4.8
67.05511	51.5
69.03419	9.7
69.07075	22.9
70.23276	6.4
70.23694	10.3
71.04974	8.4
79.05058	4.2
79.05493	41.7
79.99810	2.9
81.07061	61.1
83.04976	7.3
83.08620	12.6
85.06552	5.1
90.26098	2.9
91.05484	59.3
93.07054	83.1
95.04973	31.4
95.08612	55.2
97.06525	14.0
97.10162	2.6
98.21378	3.3
103.05467	3.2
105.04544	3.6
105.07041	89.7
107.04965	3.9
107.08603	54.5
109.06511	13.2
109.10165	45.3
109.20182	3.1
111.08119	4.0
115.05449	6.1
117.07055	20.4
119.08586	100.0
121.06500	12.5
121.10142	45.3
123.08058	4.3
123.11678	12.9
128.06216	12.0
129.07033	20.8
130.07784	9.0
131.08577	48.8
133.10135	55.3
135.08076	15.6
135.11647	19.5
137.09592	5.8
141.06989	7.0
142.07785	19.3
143.08575	44.8
144.09291	9.1
145.10132	61.5
146.07233	7.2
147.08052	8.7
147.11700	19.9
149.09641	18.0
149.13260	5.2
153.06975	3.2
155.08531	14.1
156.09338	13.8
157.10143	56.9
158.10883	6.6
159.08040	5.6
159.11684	37.3
161.09631	38.8
161.13306	7.2
163.11249	4.7
167.08562	8.0
168.09314	5.3
169.10107	20.0
170.10893	6.2
171.08078	4.9
171.11705	24.1
172.12459	4.5
173.13258	25.2
175.11201	4.8
175.14818	13.4
179.08644	6.0
181.10081	8.4
182.10942	5.5
183.11743	19.1
184.12529	3.5
185.13248	15.4
187.11227	3.2
187.14845	9.5
189.12785	3.1
193.10201	4.9
194.10910	3.7
195.11719	12.3
196.12514	6.0
197.13251	15.8
199.11186	3.7
199.14816	12.0
201.12762	6.4
201.16347	7.1
202.42220	3.0
208.12500	3.2
209.13248	21.8
211.14828	8.5
213.12807	4.4
213.16418	3.4
223.14957	5.8
225.12769	4.4
225.16435	3.5
227.14330	13.6
237.12927	3.3
237.16455	5.5
239.17924	8.8
245.13216	3.7
251.17966	5.4
255.17392	3.9
265.19501	7.4
267.17361	5.8
275.20163	7.8
293.18924	3.7
331.24237	3.7
349.25235	8.8
367.26202	14.9
389.13126	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.0
55.01678	2.8
55.01876	30.5
55.05515	31.0
57.03428	12.6
57.07056	5.2
59.04987	4.4
65.03941	5.2
67.05509	70.3
69.03430	4.0
69.07071	29.6
69.96206	11.1
71.04995	4.5
79.05064	4.2
79.05495	49.4
81.03435	7.2
81.07057	86.4
83.04971	8.4
83.08607	14.6
84.39932	2.5
85.02886	4.6
85.06525	4.5
91.05486	47.4
93.07047	44.6
93.59362	3.1
95.04962	20.1
95.08606	43.0
97.06533	40.5
97.10172	7.1
98.20866	4.2
99.08087	6.9
103.05486	2.8
105.07038	53.9
107.04963	14.2
107.08606	33.7
109.06501	13.1
109.10190	20.4
111.08086	4.3
114.71410	2.8
117.06995	13.1
119.08589	35.3
121.06523	9.3
121.10160	18.0
123.08080	14.9
123.11692	9.4
125.09605	6.1
129.07008	4.4
131.08574	19.7
133.10127	31.2
135.08018	9.4
135.11732	15.4
137.09596	10.4
137.10640	2.7
139.11169	3.0
139.36717	2.8
143.08604	3.1
145.10161	21.7
147.11668	16.0
149.09622	23.8
149.13258	6.5
151.11136	5.7
153.56279	2.8
157.10146	7.1
159.11646	13.9
161.13264	4.5
163.11208	8.6
165.09148	2.8
165.12747	6.0
169.10193	3.3
171.11676	4.3
173.13257	7.8
177.12823	4.7
179.14310	6.1
185.13071	3.1
187.11194	3.5
191.14348	3.4
229.19542	4.9
247.20613	9.1
253.18037	3.0
257.18982	13.7
275.20062	100.0
276.20438	3.5
293.21094	7.3
349.23874	26.7
367.24759	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01880	12.7
55.05513	20.4
57.03445	18.5
65.03941	3.4
67.05509	52.6
69.03426	3.7
69.07071	30.4
70.06597	2.3
71.04990	7.1
77.03883	2.0
79.05072	2.9
79.05494	42.2
81.03421	3.1
81.07056	100.0
83.04988	8.8
83.08625	14.7
85.06522	3.2
91.05480	32.5
93.07047	38.0
95.04990	12.3
95.08067	2.6
95.08611	35.1
97.06521	12.9
97.10161	4.3
98.20589	3.2
99.08087	4.0
105.07035	34.2
107.04981	10.1
107.08606	27.1
109.06523	26.0
109.10156	19.0
111.04461	1.7
111.08067	6.7
116.06200	1.8
117.07053	9.8
119.08589	29.4
121.06496	7.2
121.10140	18.0
123.08057	7.8
123.11683	8.4
125.09618	6.0
129.06982	5.7
131.08545	13.8
133.10135	21.7
135.08046	5.7
135.11691	7.2
137.09613	7.8
138.05449	3.4
143.08554	4.8
145.10123	14.6
147.08003	2.7
147.11693	25.2
149.09650	11.6
149.13275	5.7
151.11217	2.4
155.08447	2.6
157.10173	3.7
159.11725	12.0
161.09651	2.8
161.13258	5.9
163.11174	7.0
163.64096	1.8
165.12767	8.8
171.11694	3.6
173.13260	7.2
175.11195	5.2
177.12723	4.1
183.11714	3.1
185.13271	5.1
189.11134	2.0
193.12230	3.0
194.91736	1.8
195.13507	1.8
197.13341	2.4
201.16315	2.2
203.14403	2.1
219.17432	5.5
229.19565	3.1
239.18008	4.4
247.20552	3.1
257.18973	7.2
275.20062	47.8
293.20969	6.1
304.38480	1.8
315.74768	2.0
323.75473	2.0
349.17151	1.9
349.24210	9.1
367.24637	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76237	2.7
53.03934	7.8
55.01881	17.8
55.05313	3.1
55.05516	36.1
57.03449	20.3
61.02921	7.9
67.05508	78.9
68.05837	3.2
69.03423	8.5
69.07069	43.6
70.68609	9.4
71.04978	6.2
71.08632	5.6
72.05998	2.7
73.02892	4.0
79.05497	59.4
81.03407	3.4
81.07063	100.0
83.04985	13.6
83.08627	18.0
83.10868	3.0
85.02921	14.1
87.43569	3.3
91.03957	5.0
91.05478	51.0
93.06481	4.5
93.07047	56.4
95.04975	21.8
95.08605	52.8
97.02902	5.1
97.06535	20.3
97.10181	7.6
99.08094	13.2
103.05390	2.9
105.07038	47.7
107.04974	14.1
107.08604	40.7
109.06511	11.1
109.10168	27.0
111.04457	3.3
111.08080	8.3
117.07016	14.5
119.08581	32.7
121.06498	9.7
121.10152	27.9
123.08060	10.9
123.11710	10.1
125.09636	8.5
129.06964	7.1
131.08556	19.1
133.06367	3.3
133.10139	31.4
135.08034	6.0
135.11694	17.3
137.09593	5.8
139.11188	3.2
143.08591	4.3
145.10150	18.9
145.81641	3.3
147.11687	19.6
149.09637	20.3
149.13280	10.0
151.11205	3.2
157.10144	7.1
159.11697	12.1
161.13188	5.1
163.11192	14.4
165.12729	4.0
169.10127	3.7
171.10196	4.4
171.11690	4.9
173.09511	3.4
173.13283	6.6
177.12724	3.6
189.11334	4.6
195.13773	3.5
205.19493	3.9
219.17381	4.5
223.20555	4.2
239.18073	3.4
247.20601	10.2
251.20285	3.9
257.19040	14.2
265.21664	4.0
272.84958	3.1
275.20053	74.6
293.21158	43.3
306.27817	3.2
306.87634	3.5
311.02734	3.8
349.23914	16.7
350.26794	7.4
367.24951	48.2
370.13080	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	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85363	1.6
53.03946	7.3
55.01879	31.0
55.05517	71.2
56.96569	3.8
57.03444	32.4
57.07080	3.8
59.04998	3.0
65.03933	4.2
67.05512	91.2
69.03441	11.7
69.07075	48.9
71.05008	13.4
71.50430	2.4
72.68245	1.5
79.05500	83.4
81.03419	10.2
81.07066	88.7
83.04991	44.2
83.08629	52.8
83.09124	2.6
85.02911	12.7
85.06557	7.6
91.04915	1.6
91.05489	54.0
93.07052	80.1
94.07335	1.6
95.04978	77.4
95.08619	52.1
95.09246	1.7
97.02873	2.7
97.06544	21.0
97.10183	25.3
99.04469	18.7
99.08094	4.2
103.05465	2.3
105.07042	49.6
107.04964	21.0
107.08607	78.3
109.06544	13.2
109.10168	27.9
111.04456	51.8
111.05222	2.6
111.08096	17.6
113.06018	1.7
117.07028	19.6
119.08601	43.4
121.06538	13.1
121.10155	44.9
123.08079	13.0
123.11694	8.1
125.05981	2.8
125.09637	19.3
129.05482	1.9
129.07027	6.2
130.07835	3.0
131.08585	26.7
132.64204	1.6
133.10150	28.2
135.08064	12.2
135.11713	20.9
137.08705	2.0
137.09593	9.4
138.05524	7.0
139.05904	4.1
139.11191	9.4
141.06985	2.2
141.09175	2.2
143.08598	7.6
145.06493	2.6
145.10139	34.9
147.08022	6.5
147.11694	23.8
149.09636	49.9
149.13315	4.7
151.11180	8.1
153.09111	4.2
153.12761	11.9
155.08562	4.5
157.10149	6.9
159.08057	2.1
159.11719	20.8
161.09621	4.8
161.13293	10.2
163.11206	43.6
163.14856	2.1
165.09137	2.7
165.12816	14.8
167.10762	2.2
169.06920	2.2
169.10172	5.2
171.10231	2.3
171.11710	5.6
173.09607	4.7
173.11949	1.8
173.13269	8.9
175.11198	5.8
175.14804	2.0
177.12694	8.0
181.12230	9.1
183.03180	1.6
183.11841	3.7
183.13808	3.5
185.13324	2.2
187.11221	5.7
187.14841	2.6
189.11285	14.9
189.12773	2.5
191.10660	3.7
191.14279	3.3
193.12248	9.7
195.13704	1.8
195.76732	1.5
197.13187	2.6
201.12753	1.8
201.16432	1.8
203.14365	2.7
205.12247	11.5
205.15785	1.9
207.13869	5.0
209.11800	2.7
211.13309	4.9
219.17265	2.4
223.13306	76.8
227.12816	2.8
229.19550	6.1
234.07341	1.7
235.16969	2.3
239.18028	8.8
241.91872	1.7
247.20607	6.5
257.18994	13.7
269.10620	1.7
275.20093	100.0
276.20493	1.7
287.11475	1.8
293.21121	26.4
313.21719	3.5
331.22650	5.6
349.23691	9.7
367.11557	2.5
367.17874	6.2
367.24860	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01879	15.0
55.05516	48.3
57.03437	21.6
65.03946	3.2
67.05509	72.3
69.03434	3.8
69.07074	33.6
69.35082	5.8
69.35510	7.3
71.04990	6.3
79.05499	63.2
81.03411	8.1
81.07058	100.0
81.13624	1.8
82.49072	1.7
83.04983	16.5
83.08622	30.0
85.06544	3.9
85.08285	1.8
91.05484	46.8
93.07047	49.9
95.04966	20.4
95.08611	48.3
97.02866	2.6
97.06538	21.3
97.10168	6.8
99.08118	2.7
103.05463	2.0
105.07036	38.2
106.16737	1.9
107.04964	17.4
107.08593	36.6
109.06527	14.4
109.10159	25.3
111.08086	8.9
113.00005	2.6
117.07009	14.6
119.08588	31.7
121.06507	9.1
121.10149	24.1
123.08069	10.4
123.11732	10.8
125.09619	9.4
129.07013	3.4
131.08560	21.7
133.10141	33.3
135.08041	6.8
135.11693	16.0
137.09601	3.9
138.05540	2.1
139.11169	2.7
143.08540	3.8
145.06499	3.1
145.10114	20.3
147.08047	3.6
147.11710	20.6
149.09615	25.3
149.13255	6.2
151.11197	7.0
155.08572	4.4
157.10126	4.7
159.08104	2.4
159.11697	14.4
161.09598	2.3
161.13261	8.1
163.11212	18.9
165.12750	6.3
169.10118	2.5
171.10234	2.7
171.11646	4.3
173.13290	5.5
174.83946	2.0
175.11212	4.2
177.12785	4.2
179.14362	2.4
183.11743	3.0
185.13344	2.3
187.94170	2.0
189.11238	3.5
189.12727	2.0
197.13254	3.5
201.12614	2.3
207.13789	2.1
227.12874	2.2
229.19467	4.4
239.17963	6.3
247.20583	5.2
257.18942	9.3
269.17499	2.1
275.20074	62.9
293.21060	7.0
349.23724	15.8
367.11887	2.5
367.24838	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06705	2.8
53.03948	4.1
55.01876	26.8
55.05514	51.9
57.03443	20.5
58.07824	2.9
65.03933	5.5
67.05509	66.5
69.03419	6.8
69.07071	34.6
70.81707	2.7
70.95677	6.4
71.04997	5.1
71.08637	4.2
79.05073	4.5
79.05498	71.3
81.03413	6.2
81.07062	74.0
83.04977	17.2
83.08633	32.1
85.02878	5.9
85.06538	4.7
91.05481	46.3
93.06483	4.2
93.07049	61.3
95.04973	41.5
95.08614	42.7
97.06542	31.3
97.10166	12.5
99.04449	7.1
99.08085	3.8
104.02183	2.8
105.07037	47.6
107.04969	22.9
107.08601	56.9
109.06532	8.3
109.10175	26.0
111.04462	14.8
111.08097	10.3
117.07015	20.3
119.08590	32.3
121.06493	6.7
121.10147	33.2
123.08070	7.6
123.11718	11.1
125.09661	16.2
129.07043	5.7
130.07835	2.9
131.08604	22.4
133.06479	3.6
133.10144	28.4
135.08041	10.3
135.11687	15.5
137.09654	5.3
145.10121	32.9
147.08066	6.3
147.11693	19.1
149.09628	44.1
149.13327	4.6
151.11116	4.8
153.12840	3.8
156.84969	3.3
157.10109	4.0
159.11713	17.0
161.13258	11.3
163.11186	26.9
165.12753	5.2
169.10158	3.9
171.10202	7.3
171.11707	6.1
173.13309	7.4
177.12732	7.9
181.12250	3.7
183.11662	4.0
187.11244	3.7
189.11235	11.2
197.13280	4.6
205.12271	6.6
215.17889	3.1
223.13304	32.4
229.19492	5.3
239.18141	7.0
247.20589	6.0
251.07231	3.9
257.19003	20.9
275.20071	98.8
293.04819	3.0
293.08063	3.5
293.21158	17.7
305.04544	3.5
337.07077	19.7
340.76706	3.2
349.23752	23.3
367.11789	100.0
367.24759	30.3
368.12234	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01880	9.7
55.05516	21.4
57.03447	17.2
57.07073	2.9
59.04993	1.9
65.03955	2.3
67.05183	2.9
67.05514	46.4
69.03427	2.4
69.06736	2.3
69.07077	32.5
70.08954	8.2
71.04973	4.1
79.05501	42.1
81.03409	3.2
81.07065	100.0
81.86578	1.8
83.04976	6.6
83.08624	12.1
85.06557	3.5
91.05497	29.1
93.07057	31.3
94.40814	2.0
95.01299	2.1
95.04995	9.4
95.08614	32.4
97.06551	12.7
97.10175	3.4
99.08121	4.7
104.67369	1.7
105.04548	1.8
105.07040	27.2
107.04958	9.1
107.08607	22.6
107.58369	1.6
109.06533	12.9
109.10164	14.3
111.08080	6.2
117.07042	9.8
119.08591	22.5
121.06509	5.7
121.10175	14.0
123.08062	5.6
123.11709	10.1
125.09614	4.5
129.07021	4.1
131.08585	11.8
133.10126	14.0
135.08057	4.7
135.11699	10.4
137.09618	5.1
138.05507	5.4
139.05870	4.4
143.08571	3.7
145.10124	11.0
147.08064	2.4
147.11699	20.8
149.09612	10.8
149.13260	9.7
151.11189	3.5
157.10107	5.3
159.11749	12.5
161.09503	1.7
161.13300	5.4
163.11186	6.3
165.12753	5.1
171.11752	1.7
173.09528	2.1
173.13251	4.9
175.11224	4.0
177.12788	4.4
183.11716	2.8
193.12440	2.0
195.13762	4.1
201.12836	2.3
207.13866	3.2
229.19479	2.6
239.17903	5.2
247.20634	4.9
257.19016	6.0
269.17477	3.5
275.20108	38.8
293.21194	2.8
337.32422	1.9
349.23761	11.4
367.11761	2.1
367.24893	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
55.01879	8.1
55.05518	20.8
56.00293	1.4
57.03447	14.6
57.07068	2.0
58.02237	1.4
60.69244	1.5
62.87770	1.4
67.05511	47.1
69.07078	34.1
70.15865	5.4
71.04990	4.1
79.05074	2.2
79.05500	34.4
81.03429	3.2
81.07063	100.0
82.07404	1.8
83.04977	5.1
83.08627	12.7
85.06532	3.4
91.05492	27.2
93.07045	25.3
95.04995	9.2
95.05505	1.5
95.08616	26.5
97.06558	11.0
99.08100	6.6
105.07040	26.2
107.04949	5.5
107.08594	17.1
109.06548	12.1
109.10184	9.2
111.08086	4.4
114.86425	1.5
117.07009	5.3
119.08598	19.0
121.06483	2.1
121.10164	9.4
123.08055	6.9
123.11720	8.7
125.09635	2.4
129.07010	1.9
131.08585	9.8
133.10136	14.6
135.08028	2.5
135.11688	7.1
137.09618	2.9
137.42943	1.5
143.08528	2.0
145.10194	7.3
147.11711	18.3
149.09622	6.8
149.13263	10.7
151.11256	1.8
157.10153	4.5
159.11803	7.4
161.13246	1.9
163.11194	6.7
165.12749	5.8
173.13272	4.2
175.11180	3.7
177.12695	2.5
195.13821	2.4
229.19315	1.6
239.18079	1.9
247.20769	3.3
257.18964	5.4
275.20078	28.7
293.21130	6.0
349.23602	3.9
367.24860	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.0
55.01878	30.2
55.05267	6.3
55.05513	75.7
57.03436	26.2
58.81838	4.1
58.97875	3.5
61.14676	3.9
65.03944	4.9
67.05180	7.5
67.05507	81.2
69.03402	5.6
69.06800	3.7
69.07072	36.6
69.65337	3.5
71.04993	11.0
71.05829	7.8
73.42291	3.8
75.00465	3.6
79.05070	6.3
79.05497	86.1
81.02573	4.1
81.03406	13.7
81.06588	5.7
81.07058	82.6
83.04980	42.3
83.08626	43.0
85.02887	15.5
85.06606	4.6
85.98856	3.8
87.28596	4.2
90.62112	3.5
91.05480	63.9
93.06483	5.7
93.07047	75.3
95.04978	71.9
95.08602	48.7
97.06533	20.1
97.10181	19.1
99.04459	28.2
105.07037	48.2
107.04960	22.3
107.08601	77.5
109.06526	13.1
109.10178	26.4
111.04448	55.4
111.08085	14.1
112.77772	4.2
117.07011	16.9
119.08593	33.7
121.06493	7.2
121.10136	47.3
123.08067	14.4
123.11640	5.1
125.09649	23.3
129.07018	10.3
131.08565	23.7
133.10159	25.9
135.08084	10.8
135.11699	22.1
143.08508	4.5
145.09123	5.8
145.10118	34.6
147.08028	5.7
147.11690	15.4
149.09627	53.4
149.13310	5.1
151.11218	6.1
153.01784	5.5
153.09047	4.7
153.12718	10.2
155.08490	4.8
159.11678	19.7
161.09569	6.6
163.11209	45.0
165.12770	10.8
171.10208	5.3
171.11629	5.8
173.13312	7.8
177.12781	10.2
181.12236	7.5
189.11172	11.6
205.12190	5.8
211.13303	5.6
215.18068	5.0
223.13297	74.1
227.12769	4.7
229.19525	5.4
257.19031	16.9
275.20087	100.0
293.21109	31.7
349.23822	6.3
367.11630	17.6
367.24860	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.5
51.37046	2.3
53.03952	4.6
55.01886	15.3
55.05517	29.1
57.03437	17.3
59.36630	2.1
64.83546	2.2
67.05511	61.1
69.07070	30.7
69.86558	10.4
70.60110	2.2
71.05000	2.9
79.05070	4.2
79.05499	52.4
81.03410	5.9
81.07061	100.0
81.77751	2.4
83.04980	6.3
83.08615	10.8
85.06561	3.8
85.62286	2.1
91.05488	35.8
93.07054	37.9
95.04440	2.3
95.04967	12.7
95.08615	45.5
97.06528	14.6
97.10162	8.7
105.07034	34.8
107.04955	9.0
107.08599	29.9
109.06516	11.4
109.10156	19.7
111.08063	5.1
117.07002	11.2
119.08603	25.9
121.06516	3.7
121.10152	17.0
123.08097	5.4
123.11708	5.8
125.09636	7.9
129.07002	4.9
131.08568	12.4
133.10127	24.4
135.08066	6.8
135.11707	12.1
137.09607	5.4
143.08632	3.7
145.10173	11.5
147.11703	16.0
149.09622	11.7
149.13251	7.4
151.11244	3.4
155.08575	2.9
157.10120	6.6
159.11661	13.6
161.13229	6.2
163.11197	10.7
165.12704	3.5
171.10188	3.7
171.11667	4.4
173.13275	4.4
175.11192	4.6
177.12822	4.2
183.11772	5.0
185.13196	3.1
185.95448	2.1
189.11215	4.3
195.13780	2.9
196.86836	2.3
197.09619	2.4
225.12527	2.8
239.18063	5.2
247.20531	6.9
257.19055	6.9
269.17480	4.9
275.20111	46.8
277.14429	2.4
289.28952	2.6
293.21036	8.0
312.41721	2.4
349.24017	14.8
353.62131	2.6
367.25262	23.0
385.50922	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35210	2.4
53.03952	5.3
55.01858	10.8
55.05272	3.1
55.05515	30.4
56.07693	2.3
57.03432	18.0
57.07050	2.8
64.23030	2.2
66.70459	2.2
67.05192	4.7
67.05511	64.5
69.03423	7.2
69.07073	24.4
69.30888	12.9
69.31313	7.9
71.04968	3.7
77.03971	2.5
79.05071	4.4
79.05495	55.4
81.03419	5.7
81.06596	5.4
81.07060	100.0
83.04971	8.5
83.08648	14.2
83.09061	2.5
85.06521	7.3
87.11917	2.2
89.06273	2.5
91.05483	46.7
93.07050	43.7
94.01688	2.4
95.04969	13.4
95.08043	4.1
95.08607	38.2
97.06525	14.1
97.10158	3.0
99.08078	5.2
105.07036	44.6
107.04948	10.4
107.08595	28.5
109.06518	12.8
109.10168	20.6
111.08069	4.0
117.07026	12.3
119.08586	31.8
121.06516	5.0
121.10132	22.0
123.08049	8.6
123.11694	7.3
125.09653	5.3
129.06998	5.3
131.08603	15.8
133.10130	22.0
135.08060	7.4
135.11684	12.3
137.08691	2.9
137.09624	7.4
143.08537	4.3
145.10124	14.2
147.11693	20.1
149.09599	12.8
149.13228	5.8
151.11221	4.4
157.10121	7.5
157.22493	2.9
159.11697	12.4
159.90846	2.4
161.09633	4.8
161.13269	5.8
163.11205	5.6
165.12730	7.8
173.13199	5.8
174.01978	2.5
193.12138	3.5
198.76736	2.2
229.19533	3.6
247.20587	8.0
257.18994	8.3
269.17599	4.3
275.20105	46.8
293.21115	7.0
349.23721	15.9
367.25018	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	367.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01891	0.8
57.03429	2.0
59.41653	0.5
60.59013	0.6
61.02929	1.2
62.02453	0.8
66.12742	0.5
69.03435	3.5
71.04998	1.4
71.50613	1.3
72.08157	0.7
75.04497	0.6
99.04460	1.5
105.07008	0.6
111.08087	1.2
117.05531	0.7
126.13380	0.5
132.06828	1.0
136.07520	0.7
147.09183	83.0
161.10762	1.9
172.07591	0.9
173.10768	1.1
184.07585	1.1
187.08725	0.9
189.10268	4.1
200.07001	1.0
201.10193	1.6
205.09775	2.2
212.06938	0.7
215.11900	1.4
217.09940	0.7
227.08266	1.1
229.09789	3.8
243.11406	3.3
245.09097	2.8
257.09213	1.2
259.10965	0.6
263.14072	0.7
271.10815	9.0
281.14984	100.0
282.15131	1.4
287.10306	2.5
289.11862	0.9
299.10297	4.4
307.12875	1.2
317.11407	4.4
324.15472	5.7
335.12271	5.1
338.52051	0.6
350.13492	30.2
367.15976	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
54.63207	0.6
55.01888	0.5
57.03428	2.2
61.02934	0.8
62.02445	0.5
63.91177	0.6
65.09016	0.5
69.03428	3.6
69.42640	4.5
69.87794	0.6
70.06592	0.8
71.01357	1.3
71.04987	1.1
73.02917	0.5
81.03371	0.6
84.08152	0.8
91.05509	0.6
99.04453	2.2
105.07031	0.6
106.37978	0.6
109.90950	0.5
111.08116	0.7
114.14649	0.5
120.08092	0.6
127.03889	0.5
146.08438	1.1
147.09184	78.0
148.09561	1.1
154.05016	0.5
159.09206	1.0
160.09941	0.9
161.10754	1.4
187.08577	0.8
189.10275	4.6
198.09193	0.6
205.09766	1.1
215.11838	1.7
218.14966	0.5
228.06447	0.7
229.09738	2.3
243.11330	1.0
245.09116	1.4
257.09232	0.8
263.14066	0.6
271.10770	6.5
281.14975	100.0
282.15338	1.9
287.10233	1.4
289.11819	0.8
299.10196	1.4
305.11383	0.8
307.12860	0.9
317.11432	2.8
324.15564	4.2
335.12387	2.8
350.13495	29.9
351.13968	0.6
367.15536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86253	0.6
55.01864	1.7
55.05518	0.9
57.03422	2.2
61.02929	1.9
66.15372	0.7
67.05492	0.8
67.86557	0.7
69.03426	8.3
69.21349	0.7
69.75278	0.8
69.75617	3.9
71.01363	0.7
71.04995	3.1
71.08626	1.7
73.02921	1.2
79.05479	1.3
81.03417	1.9
81.07043	2.0
84.06480	0.7
84.08137	0.6
91.05486	1.7
93.07048	0.9
95.04993	1.0
95.08587	0.9
97.02906	0.9
99.04440	1.7
105.07052	1.4
107.08579	1.1
109.06516	1.1
110.07173	7.8
111.07475	2.6
111.08169	3.1
117.05629	0.6
118.06519	2.0
120.08078	1.4
121.06503	1.0
121.10186	0.6
122.06029	0.7
131.04955	1.1
132.08070	1.5
136.05058	1.2
137.05956	2.0
139.03920	0.8
145.06586	0.9
145.07632	10.9
145.10144	1.2
146.03465	1.1
147.09184	21.5
149.05939	0.6
151.07495	0.6
156.07648	1.5
157.07942	1.0
159.09201	8.2
160.05231	0.6
160.09993	1.3
161.06000	1.1
162.03009	0.8
163.03821	1.1
164.04564	1.6
167.23212	0.7
173.07120	2.4
173.10800	1.3
175.07530	2.3
175.08804	1.3
180.04028	1.2
185.05972	1.4
185.10789	3.3
186.11551	0.8
187.08691	1.2
187.12323	1.2
188.04556	1.3
189.10289	1.0
191.08168	93.9
192.04070	4.9
192.08481	1.0
197.10741	1.3
199.08733	0.8
199.12238	0.9
206.05537	0.8
213.10208	2.4
215.11858	1.0
216.07750	8.5
219.05150	0.8
221.09174	0.8
225.10376	1.1
238.04568	2.3
243.11246	0.8
244.03508	0.7
252.06168	2.6
261.06375	1.2
263.11292	1.2
263.13922	8.2
265.09518	0.8
289.11899	4.9
307.12897	41.3
321.20120	1.1
323.12863	1.3
339.13318	4.7
349.15097	9.0
350.13492	100.0
351.13913	3.1
367.08566	0.9
367.12524	2.1
367.16071	6.7
367.20828	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26781	1.2
53.03933	2.8
55.05523	8.5
56.05056	1.4
57.03433	1.4
67.05512	39.4
69.07083	8.8
69.82938	7.3
70.06583	3.3
79.05499	12.0
80.05006	5.1
81.07063	68.0
82.06566	1.8
82.41211	1.4
83.04987	2.0
84.04538	1.8
84.08123	2.4
85.02894	2.7
91.05467	4.0
92.32430	1.3
93.07056	6.7
94.06522	1.8
95.04958	2.4
95.08601	7.4
96.04512	1.9
105.07034	4.5
107.08594	3.2
110.02444	1.3
110.09588	1.6
112.03947	1.7
114.01888	2.5
121.06520	1.3
121.10157	2.4
121.18191	1.4
123.11730	7.9
126.05444	1.6
128.03427	2.9
131.08559	2.1
136.07628	1.7
138.05519	2.0
138.09132	3.2
140.03450	4.3
140.14230	1.8
150.12720	2.7
154.05005	15.2
154.32231	1.6
158.04485	3.7
159.11746	1.6
164.07219	1.6
168.10226	1.6
176.05557	1.7
180.06560	1.7
188.05540	2.4
194.11833	1.9
206.11888	1.5
210.07620	4.1
210.11298	1.7
224.12865	3.3
228.08694	24.1
236.16452	3.3
270.65051	1.5
278.21185	2.2
296.14960	25.8
298.16486	5.3
306.20999	1.6
306.24329	3.9
348.25183	1.8
366.22757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16857	0.2
52.71069	0.1
58.09261	0.2
61.17965	0.1
77.20656	0.1
82.99863	0.4
98.97635	0.2
101.00883	3.0
113.00898	0.1
116.98800	0.3
118.32341	0.2
119.01928	7.2
122.97828	0.2
134.99872	0.5
137.02979	1.0
137.43985	0.2
140.98866	0.6
158.99896	2.8
175.03035	0.3
177.00964	16.1
178.01071	0.6
182.99821	0.8
192.99155	0.2
193.04050	0.3
199.03041	0.2
200.54025	0.2
201.00955	2.4
208.53305	0.2
216.98991	0.2
217.04092	3.0
217.99103	0.2
219.02020	22.6
220.02190	1.4
221.02376	0.2
225.00830	2.4
232.95242	0.2
234.00699	0.2
234.99971	0.5
236.00113	0.4
240.98947	0.2
241.99084	0.4
242.03383	0.2
243.02013	10.2
244.02203	0.3
245.78476	0.2
256.95148	0.5
259.00009	1.0
260.00134	1.4
261.03076	100.0
262.03241	4.3
263.03290	0.7
264.99023	0.2
266.03540	0.2
275.97592	0.2
277.01028	0.6
278.01102	0.7
279.00806	0.4
282.99982	2.2
284.00107	3.6
284.04678	1.5
284.99911	1.0
301.01022	2.5
302.01172	3.8
303.00992	1.3
324.94220	0.7
325.00821	0.3
326.01129	0.4
339.20660	0.2
342.95276	0.9
343.02127	0.5
344.02194	2.1
345.01910	0.4
360.99832	0.2
362.03378	0.5
364.00928	0.4
367.01874	0.7
373.01791	0.4
385.03265	5.3
386.03381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53209	1.2
53.03947	6.6
55.01877	8.3
55.05506	3.7
57.03437	5.2
61.02936	6.3
65.65617	1.1
68.99812	2.7
69.03436	39.3
70.63065	2.1
70.63414	1.8
71.05002	5.0
72.56046	1.1
73.02929	7.1
81.03423	23.6
81.07067	1.7
83.05014	2.1
85.02910	100.0
87.00835	46.1
88.01199	1.2
91.03958	1.9
91.05473	1.5
93.07053	2.0
95.08622	2.0
97.02898	31.8
99.04461	15.8
101.02353	1.7
105.01874	64.6
107.08569	1.3
108.04487	3.5
109.02885	27.4
109.06486	2.6
110.07166	2.5
111.08092	1.7
117.01861	2.7
121.06499	1.5
121.10213	1.2
126.05575	1.3
127.03925	69.7
129.01849	4.5
136.06184	6.6
141.09172	1.9
145.04959	35.4
147.02866	1.5
151.07495	1.3
153.01875	4.3
153.09062	1.4
159.02911	13.3
189.03976	2.8
209.11760	3.2
213.04021	2.7
231.05019	15.0
245.67371	1.5
249.06099	4.9
295.11774	4.1
302.00183	1.1
366.21707	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01878	5.5
55.05511	21.5
57.03438	8.0
61.24437	1.0
64.26335	1.0
65.03931	1.7
67.05510	27.3
69.03438	13.5
69.07069	46.1
71.05005	1.0
79.05494	18.9
81.03408	4.1
81.07057	18.8
83.04984	3.6
83.08619	7.4
85.06528	1.0
91.05481	12.6
93.07047	15.1
94.04139	1.1
95.04967	6.3
95.08612	10.4
97.02891	14.6
97.06528	3.6
97.10175	13.6
98.20676	1.5
105.04481	1.0
105.07033	9.3
107.04971	5.3
107.08588	13.2
108.42240	0.8
109.06534	2.3
109.10165	8.2
111.08100	1.9
117.07014	4.3
118.80562	1.0
119.08574	9.0
121.06494	2.2
121.10161	4.1
123.08061	2.9
125.09631	11.0
128.06203	1.2
129.07030	2.0
131.08548	4.9
133.06448	1.3
133.10149	3.8
135.08049	3.3
135.11713	2.7
137.09575	2.3
143.08580	1.5
145.10107	2.2
147.08076	2.8
147.11671	2.8
149.09630	1.6
149.13271	1.7
153.12367	1.0
157.10115	2.7
159.11722	2.7
161.09604	2.4
163.11168	1.4
165.09128	2.9
171.10127	1.3
171.11697	1.0
175.11186	1.2
177.12735	2.9
181.07019	0.8
185.13263	0.9
189.11299	5.9
189.12791	1.6
189.88783	1.0
195.13789	2.3
205.12321	1.8
218.47917	0.9
223.13301	26.2
227.18094	1.5
236.51744	1.0
241.13327	1.0
245.19058	1.5
249.15134	1.1
263.19992	1.2
266.41650	1.1
273.18518	8.0
291.19547	100.0
292.19962	2.1
304.07730	0.9
365.23227	26.7
384.19894	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.6
55.01877	19.0
55.05515	16.9
57.03440	53.9
57.07073	5.0
65.03948	4.7
67.05507	59.7
69.03430	9.0
69.07064	13.7
70.06577	3.0
70.76384	5.2
71.04984	7.3
71.25581	2.0
79.05498	40.1
81.03416	6.6
81.07053	45.9
83.04980	9.6
83.08616	12.2
85.02935	3.3
85.06548	42.1
91.05484	38.1
93.07044	37.6
95.04974	70.3
95.08607	21.3
96.04447	2.4
97.02865	3.1
97.06534	8.0
97.10176	4.4
99.04433	4.2
99.08106	2.6
105.07028	31.7
107.04947	18.2
107.08591	26.9
109.02900	3.3
109.06519	63.4
109.10161	8.4
111.04445	12.4
111.08099	4.1
113.06007	100.0
115.05465	4.3
117.07034	15.4
119.08587	25.1
121.06499	9.6
121.10151	15.5
123.08054	9.3
125.09657	4.4
127.03932	3.9
128.06252	3.4
129.06952	9.2
131.08560	17.3
133.06535	5.1
133.10127	14.2
135.08063	49.6
135.11673	13.0
137.05969	3.9
137.09584	3.5
138.05516	8.8
141.06999	2.7
142.07735	3.3
143.08578	13.6
145.10120	15.7
147.08064	7.6
147.11699	7.3
149.02359	3.2
149.05908	3.5
149.09639	11.7
149.13284	4.7
151.07535	2.8
153.01790	2.5
153.12703	2.6
157.10167	9.2
159.08006	3.3
159.11702	7.8
161.09682	14.1
161.13226	2.5
163.11224	10.6
165.09132	6.5
167.85374	1.9
168.06558	2.4
169.10135	3.0
171.11736	4.6
173.13243	5.8
175.11234	7.1
176.80168	1.9
177.05481	9.0
177.12766	3.9
181.12196	2.2
183.11652	3.0
185.09521	2.4
185.13359	2.5
187.11163	2.4
187.14639	2.5
191.10693	2.2
195.13773	2.4
199.11224	2.9
199.14806	4.2
201.12776	3.2
203.10736	3.1
217.15862	13.7
227.18011	3.4
237.16489	3.3
245.18959	4.6
255.17490	7.8
273.18491	46.0
291.19556	52.2
318.10159	2.1
347.22290	6.1
365.10251	4.8
365.19183	2.7
365.23456	20.2
366.23026	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01868	5.5
55.05516	7.1
57.03441	46.5
57.07069	2.1
57.59594	1.6
60.93064	1.4
65.03936	2.3
67.05510	48.4
67.37849	1.5
69.03410	2.1
69.07066	6.1
70.06593	2.8
71.05000	6.7
71.51255	1.8
72.23096	1.4
72.26289	1.4
79.05495	22.3
81.03403	3.0
81.07071	23.4
83.04992	2.6
83.08618	4.7
85.06550	38.4
91.05487	22.2
93.07050	19.3
95.04372	3.1
95.04976	58.9
95.08615	13.9
97.06528	4.8
97.10176	2.8
99.04465	1.7
105.07035	19.0
105.52679	1.3
107.04945	10.2
107.08598	12.4
109.02925	1.8
109.06527	54.3
109.10173	3.4
111.08096	2.1
113.06013	100.0
117.07026	9.3
119.08597	9.5
121.06506	5.0
121.10149	6.0
123.08077	4.8
128.06253	1.6
128.60526	1.3
129.07011	5.7
131.08553	11.6
133.06500	3.0
133.10173	8.4
135.08064	36.4
135.11697	7.9
141.06894	1.5
143.08568	6.7
145.10130	11.8
147.08086	5.6
147.11700	5.9
149.02348	2.6
149.09639	5.6
153.01807	2.5
157.10194	7.0
159.08144	2.3
159.11703	5.2
161.09587	7.3
163.11209	3.9
169.10150	1.6
171.11734	5.3
173.13269	3.6
175.11253	4.6
175.14868	1.6
177.12759	3.2
179.76944	1.3
181.10146	2.2
183.11739	3.1
185.13188	1.6
189.12715	1.7
193.04968	4.2
195.11732	1.5
199.14815	3.9
200.20277	2.3
203.11105	1.5
217.15855	15.3
219.13751	1.9
233.15514	2.3
237.16383	1.6
255.17455	5.5
273.18488	25.6
291.19583	32.5
307.23404	1.3
347.22260	1.6
365.23447	10.1
366.22681	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.5
53.09502	1.9
53.30364	2.2
55.01873	19.7
55.05514	28.7
57.03429	20.9
57.07062	3.7
59.05005	6.6
60.16092	2.0
65.03939	5.0
67.00679	2.2
67.05508	82.9
69.03435	9.3
69.07076	23.2
70.61620	2.2
70.67316	5.2
71.01347	2.0
71.04995	7.3
73.04744	1.9
73.44623	2.2
79.05495	80.2
81.03429	14.4
81.07061	100.0
81.31390	2.3
83.04993	23.3
83.08634	12.0
84.26936	2.1
85.06555	5.9
91.05485	87.3
93.07046	68.6
95.04958	24.3
95.08614	37.5
97.02910	3.2
97.06524	8.4
97.10201	4.1
103.05469	3.6
105.04549	3.0
105.07037	68.7
105.50929	2.1
107.04956	22.4
107.08601	48.9
109.02889	2.1
109.06519	13.3
109.10169	38.4
111.04414	3.5
111.08101	9.0
113.06007	3.4
117.07036	15.7
119.07219	2.4
119.08574	20.2
121.06492	13.7
121.10138	17.5
123.04468	4.0
123.08070	6.8
123.11724	11.4
125.06041	2.2
125.67942	2.1
128.06250	4.4
129.07039	6.2
131.04974	2.7
131.08589	30.8
131.78583	1.9
133.06508	18.4
133.10135	74.5
133.11099	4.3
135.08054	23.5
135.11716	11.8
137.09625	6.2
139.07570	8.1
142.07802	2.6
143.08571	8.5
145.10150	13.2
147.08032	7.1
147.11700	8.7
149.09605	22.0
149.13254	2.4
151.11197	43.6
157.10161	7.3
159.08067	4.7
159.11736	6.3
161.09674	13.0
161.13274	3.7
163.11215	6.4
169.12213	7.1
171.11729	6.2
175.11238	6.9
177.09111	11.2
177.12819	3.6
178.18324	2.1
179.10730	3.9
189.12733	5.2
191.10706	2.3
195.10078	2.7
195.11871	2.3
199.11168	3.7
215.12633	2.4
227.17845	2.2
245.19044	10.4
251.12807	3.7
253.14339	24.8
255.17427	5.0
263.20050	10.6
269.13901	5.6
273.18488	35.1
291.19577	29.0
340.32779	2.2
347.22266	4.6
365.23270	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01881	6.3
55.05515	34.1
57.03442	10.0
65.03933	2.1
67.05510	35.5
67.17006	1.3
69.03427	15.0
69.07072	45.1
70.94866	3.6
71.04996	1.4
77.05576	1.5
79.05071	2.1
79.05499	29.2
81.03418	8.1
81.06606	1.7
81.07063	24.6
83.04970	5.5
83.08621	10.8
87.46198	1.4
91.05482	18.3
93.07049	22.5
94.04185	1.4
95.04955	8.2
95.08156	1.4
95.08620	15.1
97.02892	17.4
97.06503	3.2
97.10188	20.1
97.18133	1.3
98.52540	1.1
105.07036	14.4
107.04959	8.3
107.08601	17.5
109.06545	3.4
109.10174	13.5
110.43586	1.3
111.08081	1.6
117.07042	7.9
119.08589	13.8
121.06492	4.1
121.10146	6.0
123.08066	4.8
125.09643	17.8
129.07008	3.4
131.08595	7.0
133.06496	3.6
133.10091	6.9
135.08038	5.1
135.11661	2.4
137.09647	4.4
142.07690	1.4
143.08553	3.9
145.10136	6.1
147.08015	4.5
147.11694	3.2
149.09630	3.0
149.13268	2.7
151.11137	1.6
153.09123	1.4
157.10109	2.0
159.11714	2.6
161.09677	3.0
163.11246	2.7
165.09117	3.0
171.10178	3.1
171.11693	2.2
175.11153	2.3
177.12769	2.2
179.10750	1.8
189.11227	7.9
195.14072	2.0
205.12202	3.2
212.44009	1.2
221.15544	1.2
223.13297	33.9
227.17798	1.7
247.52718	1.3
255.17531	1.9
263.20013	1.6
273.18481	12.9
291.19559	100.0
292.19669	2.3
365.23276	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	1.5
53.03951	3.1
55.01889	9.8
55.05515	35.5
55.09417	1.4
57.03440	13.7
57.07078	1.3
59.04999	2.5
65.03951	1.9
67.05511	45.0
67.11314	1.2
69.03435	13.5
69.07074	61.8
70.49232	4.5
71.04987	1.5
79.05495	34.9
81.03431	9.4
81.07059	37.9
83.04998	9.6
83.08625	13.5
85.06535	1.8
91.05489	24.1
93.07051	28.4
95.04975	14.1
95.08615	16.9
97.02889	14.4
97.06539	7.5
97.10178	19.2
99.04468	1.4
99.08041	2.0
103.05489	1.6
105.07037	19.1
107.04965	8.6
107.08597	21.8
109.06532	6.7
109.10165	14.1
111.04440	3.0
111.08087	5.5
115.05466	1.8
117.06995	8.1
119.08595	16.4
121.06525	6.7
121.10149	10.1
123.08097	8.8
123.11660	2.1
125.09633	17.8
129.07024	4.7
131.08606	9.4
133.06508	3.8
133.10141	13.2
135.08122	7.4
135.11682	3.5
137.09654	7.4
143.08598	3.2
145.10110	8.6
147.08078	7.4
147.11696	5.7
149.09628	4.9
149.13261	3.7
151.11171	3.5
153.09160	3.5
157.10162	6.6
159.11670	4.0
161.09584	5.2
163.11212	5.3
165.09140	3.4
165.12869	1.6
171.10184	2.7
171.11624	2.4
175.11224	2.9
177.09187	2.0
177.12791	3.2
189.11235	11.8
189.12746	3.0
195.13838	3.3
205.12305	1.9
219.13826	1.7
223.13287	23.7
227.18044	2.1
245.19046	3.6
249.14787	2.7
263.20227	1.4
269.13956	1.5
273.18457	22.0
291.19565	100.0
292.19827	2.9
306.24283	1.6
365.23242	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.01881	10.4
55.05516	43.0
57.03441	18.2
57.07064	2.3
59.04979	1.7
62.45101	1.4
64.92384	1.3
65.03933	2.8
65.74426	1.4
67.05511	52.9
69.03442	13.9
69.07074	64.3
69.92144	1.2
70.10963	5.2
71.04984	4.1
74.84757	1.4
77.18422	1.1
77.41678	1.1
79.05075	2.4
79.05503	40.9
81.03416	13.2
81.06594	2.4
81.07066	42.2
83.04996	8.6
83.08625	15.3
85.06541	3.1
91.05483	31.0
93.06492	1.9
93.07051	31.5
95.01316	1.5
95.04974	11.4
95.08616	20.5
97.02901	13.4
97.06546	6.9
97.10185	22.9
103.05495	2.1
104.54182	1.3
105.07046	25.3
107.04971	12.5
107.08607	25.5
109.06517	7.1
109.10170	18.1
111.04450	2.5
111.08090	4.4
115.05465	2.7
117.07025	11.8
119.04962	1.4
119.08597	20.5
121.06557	7.2
121.10150	11.0
123.04481	2.0
123.08067	8.5
123.11736	2.3
125.05952	1.5
125.09647	18.8
128.06210	2.1
129.07010	4.8
131.08582	12.0
133.06497	4.1
133.10141	16.5
135.08052	10.2
135.11685	5.5
137.09671	6.9
143.08562	5.3
145.10139	10.3
147.08054	8.6
147.11702	4.1
149.09624	7.3
149.13289	3.4
151.11195	6.0
153.09082	3.5
153.12720	2.2
157.10114	5.3
159.08113	1.7
159.11742	4.4
161.09647	6.6
161.13245	1.6
163.11177	4.8
165.09131	4.5
171.10066	1.3
171.11752	2.2
175.11211	5.1
177.09152	1.5
177.12816	1.6
179.10603	2.4
189.11263	11.8
189.12807	2.2
193.12273	3.3
195.13802	4.1
199.11070	1.9
205.12317	2.5
223.13321	25.5
227.12775	1.7
227.17960	2.7
245.19115	4.9
249.14833	2.3
253.14299	2.4
255.17638	2.9
263.20084	2.3
273.18518	26.9
291.19571	100.0
292.19940	2.1
347.22253	2.9
365.10550	2.4
365.23239	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28685	1.6
53.03941	7.7
55.01875	23.7
55.05271	2.1
55.05515	35.3
56.87282	1.7
57.03440	25.2
57.07078	2.9
65.03948	3.8
67.05509	100.0
69.03439	12.7
69.07071	42.1
70.06586	2.1
70.57132	3.1
71.04996	5.6
72.08175	2.2
79.05496	74.8
79.91743	1.8
81.03413	13.8
81.07059	93.4
83.04984	19.7
83.08627	17.3
85.02900	2.1
85.06546	7.5
91.05484	77.2
93.07049	64.4
94.07326	1.6
95.01349	1.7
95.04975	24.1
95.08608	33.8
95.31674	1.8
97.02890	7.6
97.06566	9.3
97.10169	10.7
99.04461	2.9
105.04505	2.6
105.07035	62.7
107.04958	23.2
107.08598	47.2
109.02883	2.2
109.06521	16.3
109.10162	41.6
111.04439	3.8
111.08067	9.4
113.05977	2.9
117.07006	16.8
119.04974	2.2
119.08585	24.5
121.06513	14.2
121.10168	16.5
123.04416	2.8
123.08043	8.5
123.11734	10.4
125.05991	3.6
125.09641	8.4
127.07643	2.4
128.06215	4.5
129.07018	9.5
131.08572	32.7
133.06503	15.9
133.10138	74.7
135.08063	18.5
135.11722	11.2
135.12642	1.8
137.09615	4.8
139.07547	4.6
141.09142	1.7
142.07814	3.2
143.08559	7.7
145.06572	1.9
145.10159	13.4
147.08055	9.6
147.11717	8.9
149.09648	23.4
149.13286	3.2
151.11177	42.4
151.12350	2.5
153.09117	2.1
153.12839	2.1
157.10143	6.8
159.08043	6.8
159.11696	6.5
161.09637	15.2
161.13330	3.6
163.11177	6.5
165.09120	2.7
169.10146	2.5
169.12221	5.1
171.10268	2.0
171.11700	6.1
175.11200	7.7
177.09039	8.8
177.12767	2.6
179.10698	3.4
183.11719	2.0
185.13280	3.9
187.11162	2.0
189.11296	2.5
189.12793	5.0
193.12314	2.0
195.13831	2.3
199.11218	2.6
205.12216	2.7
207.13934	2.2
213.16495	2.1
215.12766	4.5
217.12250	1.8
223.13266	15.8
227.17894	4.2
231.13914	1.9
245.18961	9.8
253.14330	24.4
255.17508	4.1
263.20078	11.3
269.13864	5.4
273.18518	40.8
291.19540	62.4
292.19846	2.9
303.29910	2.5
309.20712	2.4
337.29681	1.8
347.22070	4.3
347.25836	2.4
364.48291	1.7
365.10864	2.1
365.23230	57.7
365.33273	9.0
365.47546	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01876	6.0
55.05280	2.0
55.05516	29.8
57.03436	11.1
63.60330	1.0
65.03937	1.6
67.05507	30.9
69.03438	12.8
69.07073	40.9
69.50797	8.3
71.04963	1.5
79.05064	2.0
79.05497	25.8
80.68969	1.2
81.03413	4.4
81.07061	20.7
83.04966	5.1
83.08631	10.2
83.97110	1.2
85.06551	1.9
86.43630	1.1
91.05488	15.9
93.07044	19.8
95.04977	8.8
95.08604	14.0
95.54758	1.2
97.02900	17.7
97.06524	4.1
97.10172	15.6
98.20798	2.1
98.97572	1.1
105.07049	11.6
107.04967	5.1
107.08604	15.2
109.06503	4.0
109.10166	9.8
111.08092	2.4
117.07037	6.8
119.04916	1.5
119.08582	13.9
121.06555	2.9
121.10147	5.9
123.08060	3.8
123.11728	1.1
125.09641	13.8
128.06230	1.3
129.07008	2.1
131.08574	6.3
133.06487	2.5
133.10126	6.3
135.08070	4.0
135.11691	2.4
137.09587	3.2
143.08572	2.7
145.10086	5.1
147.08058	4.9
147.11676	2.7
149.09651	2.7
149.13249	3.3
151.11212	1.4
157.10126	2.1
159.08102	1.9
159.11746	2.7
161.09647	2.7
165.09097	2.2
171.10144	2.8
171.96156	1.1
173.11653	1.5
175.11203	2.3
177.12762	2.4
179.10580	1.5
185.13284	1.3
189.11220	4.2
195.13832	2.3
205.12227	4.4
223.13295	32.5
227.00117	1.2
237.16447	1.3
245.18999	2.9
255.17427	1.2
263.20142	1.5
273.18484	13.5
284.12549	1.3
291.19556	100.0
292.19995	2.7
347.22107	1.7
365.23227	39.4
375.89536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01877	8.1
55.05515	26.6
56.96550	2.0
57.03436	12.0
59.27625	1.4
64.72009	1.4
67.05183	1.9
67.05511	34.9
69.03090	1.6
69.03434	16.4
69.07071	44.0
70.78092	3.3
70.78451	1.6
71.04987	1.8
79.05502	30.7
79.43144	1.5
81.03428	6.5
81.07064	25.8
82.65157	1.3
83.04964	3.3
83.08623	10.9
85.06531	2.1
91.05495	17.3
93.07048	22.9
95.04976	9.7
95.08617	13.5
97.02893	18.1
97.06533	4.3
97.10179	14.2
98.97558	3.1
105.07045	14.5
107.04963	8.1
107.08612	17.2
109.10180	11.1
111.08104	2.6
117.07053	7.7
119.08597	14.5
121.06528	4.1
121.10157	5.7
123.08070	5.3
125.09637	11.9
128.06271	1.8
129.07005	2.6
131.00087	1.5
131.08589	8.5
133.06454	2.2
133.10136	5.6
135.08044	5.3
135.11734	3.6
137.09631	4.8
143.08554	3.8
145.10118	5.5
147.08089	8.3
147.11688	2.6
149.01245	1.8
149.09630	1.8
149.13210	3.2
153.09111	2.0
157.10098	3.0
159.11736	3.2
161.09612	5.0
163.11153	2.4
165.09091	2.5
171.11711	2.1
172.26567	1.5
175.11179	3.4
189.11160	8.8
205.12251	3.5
223.13298	26.9
227.12753	2.7
244.09599	2.4
245.19164	1.4
263.20163	2.2
273.18472	15.4
284.12735	4.9
291.19559	100.0
291.76941	1.5
330.06555	1.4
347.22128	1.6
365.15704	3.6
365.23230	62.3
366.23312	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34570	1.3
53.03934	4.5
55.01870	12.7
55.05517	38.1
57.03440	14.3
57.07088	1.8
65.03924	2.9
67.05508	53.9
69.03436	16.2
69.07074	48.9
71.04992	4.3
76.94496	1.4
79.05499	43.4
81.03432	8.7
81.07066	50.4
83.05002	8.4
83.08630	16.9
85.06548	2.8
87.43716	1.5
91.05493	33.4
93.07056	32.5
95.01318	1.9
95.04965	21.5
95.08611	23.2
97.02909	19.4
97.06539	5.2
97.10188	13.9
105.07047	24.6
107.04965	13.8
107.08609	20.0
109.02898	1.9
109.06531	20.1
109.10167	14.3
111.04426	1.7
111.08082	3.6
113.05985	1.9
115.05464	2.7
117.07032	9.9
119.08595	21.4
121.06505	7.7
121.10150	10.3
123.04404	2.2
123.08113	8.2
125.09637	13.8
129.07016	8.1
131.08569	15.3
133.06490	6.1
133.10141	14.8
135.08078	10.7
135.11687	5.8
137.09631	3.8
138.05518	3.3
143.08594	7.5
145.10149	10.0
147.08080	10.2
147.11700	5.4
149.09613	6.2
149.13278	3.6
151.03423	1.4
151.11226	2.0
153.09067	1.9
153.12747	1.5
157.10165	4.9
159.08035	3.7
159.11702	7.3
161.09645	10.2
163.11183	3.3
165.09148	3.5
169.10132	2.5
171.11688	3.9
173.09686	1.9
175.11249	4.8
177.12793	4.2
185.13321	2.4
187.11252	2.5
189.11319	8.4
199.11168	2.0
205.12294	4.2
213.12740	2.0
223.13312	30.5
227.12769	1.9
245.19046	5.6
255.17441	2.8
263.20160	2.4
273.18515	29.4
285.10327	1.8
291.19556	100.0
307.16827	1.4
309.02045	1.6
347.22174	3.9
365.23276	65.4
365.28009	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
53.03943	10.4
55.01876	20.0
55.05517	30.3
57.03440	24.6
59.63460	2.5
60.36075	2.6
65.03946	5.1
67.05508	71.7
69.03432	8.8
69.07073	20.9
69.18937	23.0
71.04984	4.8
71.94231	2.1
76.13231	2.3
79.05495	69.2
81.03433	11.3
81.07059	98.8
83.04984	26.0
83.08620	13.4
85.02905	6.7
85.06544	8.5
91.05486	70.5
93.07056	61.6
95.04969	30.7
95.08620	28.8
97.02890	2.5
97.06520	7.2
97.10173	5.5
98.20805	5.0
98.97482	2.1
99.04456	5.5
103.79293	2.1
105.04514	6.4
105.06394	4.5
105.07035	51.5
107.04967	18.1
107.08604	38.7
109.06524	26.3
109.10166	36.0
111.04467	14.2
111.08074	11.3
113.06005	8.6
117.07037	16.7
119.04961	2.2
119.08594	28.4
121.05730	2.5
121.06512	14.5
121.10148	17.7
123.08079	9.3
123.11711	7.2
125.05988	3.3
125.09628	3.9
128.06244	3.1
129.07027	7.0
131.08580	24.3
133.06516	12.0
133.10147	52.8
135.08069	22.2
135.11697	10.3
137.09616	6.4
138.05516	3.7
139.07541	3.1
141.07095	3.7
143.08536	5.1
145.10146	14.7
147.08026	11.2
147.11710	6.4
149.09654	18.2
149.13333	3.7
151.11201	31.2
153.12721	5.4
153.19693	2.7
157.10191	4.8
159.08083	8.8
159.11710	7.2
161.09641	16.1
161.13271	4.3
163.11197	8.3
165.09071	5.9
169.12323	4.8
171.11703	6.8
175.11156	8.1
177.09138	7.3
177.12794	3.1
179.10672	2.4
181.12294	5.9
185.09572	4.4
185.13341	2.8
189.12773	3.8
191.10568	2.6
199.11224	4.4
201.79112	2.2
203.14328	2.3
210.32085	2.8
223.13324	5.7
245.19049	8.9
253.14406	16.5
255.17528	3.7
263.20029	6.8
269.13977	2.5
273.18488	46.5
291.19547	47.4
347.22104	3.4
365.23093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.01877	8.0
55.05511	30.8
57.03187	1.4
57.03436	15.0
59.05002	1.2
65.03928	2.0
67.05142	1.1
67.05506	38.4
69.03432	13.5
69.07070	46.4
69.22197	8.3
71.04977	2.9
72.94266	1.0
78.64551	0.8
79.05495	38.5
81.03412	8.4
81.07055	36.2
81.95562	1.0
83.04986	7.1
83.08621	10.8
85.02905	1.5
85.06551	2.6
88.49310	0.9
91.05486	22.6
93.07042	26.7
95.04969	13.9
95.08604	18.1
97.02891	16.7
97.06535	4.2
97.10177	15.5
98.92343	0.9
103.72643	1.0
105.06395	1.6
105.07037	17.3
107.04956	8.8
107.08588	17.2
109.06522	13.8
109.10154	11.3
111.04451	1.4
111.08090	2.6
117.07022	9.5
119.08582	14.5
121.06510	4.0
121.10164	5.8
123.04414	1.3
123.08067	5.5
123.11742	1.1
125.09639	11.4
128.06161	1.4
129.06990	4.1
131.08586	8.6
133.06473	2.6
133.10172	6.4
135.08067	6.7
135.11697	3.5
137.09639	3.7
138.05490	1.0
142.07803	1.2
143.08569	3.7
145.06490	1.4
145.10144	5.3
147.08023	5.7
147.11690	3.6
149.09628	3.6
149.13239	1.9
151.11229	2.0
153.09077	2.3
157.10135	2.7
159.11693	5.3
161.09624	7.4
161.13261	1.6
163.11188	3.1
165.09143	2.3
171.10201	1.8
171.11641	2.2
175.11189	2.6
177.12775	2.8
187.11201	1.2
189.11241	6.2
189.12733	1.8
195.13844	1.4
205.12227	3.6
223.13297	28.3
227.12672	1.1
227.17938	1.6
245.18991	2.4
249.14980	1.6
255.17447	1.5
263.20081	2.8
273.18509	18.0
291.19540	100.0
292.19775	2.3
315.86859	1.0
347.22272	4.6
365.23239	40.8
381.10635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73785	1.0
53.03940	1.7
53.75586	1.1
55.01870	7.5
55.05516	7.1
57.03436	52.2
57.07061	2.6
65.03928	2.5
67.05507	45.8
69.03397	1.7
69.07052	4.0
69.85432	5.4
71.04979	3.5
72.65123	1.1
79.05494	22.0
81.03403	2.8
81.07058	21.9
83.04947	2.7
83.08614	3.4
85.06543	39.0
91.05484	19.6
93.07043	19.9
93.78926	1.2
95.04969	62.5
95.08606	13.5
97.06528	4.1
97.10146	1.3
105.07033	13.7
107.04936	7.5
107.08595	11.3
109.06519	50.7
109.10146	2.9
111.08054	2.2
113.06006	100.0
115.05457	1.3
117.07008	9.4
119.08606	10.4
121.06465	5.2
121.10139	5.0
123.08047	3.1
123.41965	1.2
128.06218	1.7
129.07007	6.3
131.08592	11.0
133.06491	2.7
133.10117	5.7
135.08057	33.6
135.11630	5.5
137.05928	1.3
138.05496	2.2
141.06978	1.7
143.08560	5.2
145.06477	1.4
145.10129	8.7
147.08038	4.2
147.11685	2.4
149.09599	5.3
149.13214	2.2
155.08501	1.1
157.10141	5.0
159.08112	1.8
159.11705	4.9
161.09613	6.5
161.13217	1.4
163.11177	4.1
169.10138	1.1
171.11711	2.7
173.09729	1.1
173.13254	3.4
175.11238	1.9
177.05492	1.5
177.12823	3.2
183.11588	1.7
185.13295	2.5
187.11111	1.2
187.14836	1.4
189.16293	1.6
199.11304	1.1
199.14857	4.6
201.12785	1.8
217.15868	15.1
227.17918	1.4
233.15370	1.8
245.18983	2.3
255.17377	2.0
262.19977	1.2
273.18512	24.4
291.19547	28.1
365.23166	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	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01874	10.0
55.05274	1.9
55.05518	35.2
57.03440	12.8
57.07072	2.5
62.64233	1.5
65.03954	2.4
67.05514	49.3
69.03439	13.2
69.07076	65.7
71.04979	5.2
71.51797	2.3
72.93819	2.2
79.05504	38.5
81.03408	8.9
81.07071	37.6
83.04984	8.2
83.08630	9.6
91.05482	30.9
93.07053	33.9
95.01337	2.2
95.04976	14.5
95.08627	20.5
97.02908	15.5
97.06542	6.9
97.10172	19.3
105.07037	21.6
107.04955	12.6
107.08604	22.7
109.02850	2.0
109.06529	6.7
109.10169	15.8
111.04456	2.2
111.08072	3.1
117.07025	12.6
119.05042	1.6
119.08587	19.7
121.06483	4.8
121.10154	7.2
121.75245	1.8
123.08080	10.1
123.11746	3.9
125.09655	15.9
129.07010	6.5
131.08597	11.2
133.06511	5.9
133.10127	10.2
135.08092	11.0
135.11713	5.3
137.09621	6.3
143.08574	6.5
145.06538	2.0
145.10156	10.7
147.08051	10.6
147.11676	7.8
149.09608	6.1
149.13307	2.6
151.11177	4.5
153.09154	4.1
157.10109	6.2
159.08162	2.6
159.11705	5.1
159.81628	1.9
161.09663	8.0
165.09180	3.3
171.10263	1.8
171.11726	3.1
171.73454	1.6
175.11264	3.8
177.12808	3.1
179.10681	2.8
189.11229	7.0
193.12372	2.5
195.13806	2.1
205.12268	3.9
221.11687	1.9
221.15355	2.2
223.13286	22.7
245.19020	4.2
249.14944	2.3
254.58560	2.1
255.17502	3.1
256.91348	2.0
263.20020	2.7
273.18527	29.1
291.19562	100.0
292.19952	2.7
347.13043	5.5
347.22253	3.7
365.23260	65.7
366.23505	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	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61447	0.7
64.75346	0.6
70.01783	2.7
71.62022	0.6
80.61501	0.6
93.77223	0.6
96.87632	0.6
100.45840	0.6
143.14929	0.7
148.52219	0.7
150.55779	0.6
175.24240	0.7
185.04227	26.1
191.63573	0.6
203.05272	56.1
204.05571	0.7
243.23421	0.7
329.10739	0.7
331.33209	0.7
365.10587	100.0
366.10968	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01883	1.8
60.04525	15.7
61.04856	2.3
66.94513	1.2
67.05499	2.4
68.04993	1.6
69.03423	1.9
69.07047	5.5
69.36903	7.1
69.37309	3.3
70.06576	3.7
71.04999	1.6
72.04480	1.3
72.08152	1.8
72.75757	1.2
79.05482	2.3
80.05043	1.6
81.03416	1.5
81.07078	2.7
83.04969	4.3
84.04523	6.6
84.04936	1.4
84.08131	3.0
85.02895	2.6
86.09726	2.0
91.05470	3.2
93.07045	2.4
94.06550	3.2
95.04996	2.3
95.08590	3.6
96.08160	1.5
96.08918	1.8
97.06522	3.0
98.06057	3.7
105.07044	2.3
107.08646	1.8
108.03838	1.3
108.04482	31.1
109.02888	1.8
110.06021	4.2
115.07545	1.7
118.06563	6.2
120.04456	6.0
120.08203	1.3
122.02399	86.4
122.06029	5.3
124.03956	7.1
124.07599	5.9
130.06500	2.5
132.08102	6.1
135.21507	1.3
136.07545	1.9
138.05473	2.8
140.03438	2.5
140.07043	3.6
144.08112	6.3
144.81679	1.4
146.06006	11.5
147.04433	1.7
148.03934	7.0
150.05492	5.3
152.07080	15.6
156.06546	1.3
164.03400	2.8
165.04245	9.6
166.05014	35.9
168.06581	26.0
170.08156	21.3
182.04506	59.3
183.05266	9.1
185.32162	1.3
188.07085	19.3
196.06062	100.0
197.06644	2.2
198.07578	1.8
198.47433	1.5
203.11026	1.4
207.07652	3.1
219.06836	4.0
236.09521	2.8
244.09712	4.7
247.10754	2.2
273.08777	2.7
291.09729	3.9
305.11395	3.5
311.24005	2.1
315.09735	2.6
319.12888	2.4
323.12125	2.1
329.25000	2.3
333.10822	37.8
347.26392	7.9
365.16855	3.0
365.27380	7.0
373.38113	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01856	3.5
55.05519	8.7
57.03439	4.5
60.04527	20.4
66.80286	2.8
67.05498	9.1
69.03448	3.6
69.07075	4.1
69.85590	14.6
70.06576	8.3
72.04502	4.6
72.08173	25.3
79.05489	30.4
81.03419	3.6
81.07058	25.9
83.04966	4.1
84.08127	3.7
85.02905	4.5
85.06532	2.7
90.37798	2.7
91.05488	30.0
93.07068	19.1
94.06509	3.4
95.04941	7.0
95.08607	4.8
96.08160	2.9
97.02882	3.6
99.04449	7.0
105.07043	55.9
107.04987	13.4
107.08597	38.3
108.08133	3.3
109.06514	10.4
109.10138	4.6
111.04452	3.6
116.07106	3.3
117.07018	5.3
119.04955	3.4
119.08585	100.0
120.08101	5.1
121.06476	6.7
121.10143	10.9
123.04391	3.1
124.07640	4.8
125.05943	2.7
127.03951	3.4
131.08636	4.4
133.06514	6.1
133.10143	83.6
135.08058	8.7
137.09624	8.3
143.08658	5.8
145.10129	6.2
147.08026	19.7
149.06010	3.2
151.07542	16.0
151.11215	7.1
153.01877	4.3
161.09637	46.7
163.07573	19.6
163.11223	8.4
164.07088	15.3
165.09061	5.7
171.14946	8.0
175.07472	3.1
176.07050	4.4
177.07852	26.6
179.10689	93.2
189.09097	16.9
190.08595	3.3
199.14366	3.9
202.09041	4.1
207.10156	54.6
225.11244	55.1
263.10153	4.2
274.17957	3.5
302.17566	10.6
305.11276	10.4
310.23813	3.7
320.18570	73.3
325.70731	3.0
328.24866	4.8
333.10797	5.5
346.26031	5.8
364.21222	41.3
364.26535	22.0
365.13480	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	365.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04514	1.8
67.05494	0.5
69.03425	0.9
69.07063	0.7
70.06591	1.1
70.79196	0.5
70.79517	1.0
71.05003	0.6
79.05496	0.6
81.07066	0.7
91.05482	1.1
93.07050	0.9
95.04955	0.9
95.08617	0.7
97.02871	0.6
105.07022	0.8
107.04962	0.6
107.08631	0.7
109.10150	0.7
115.03983	0.6
119.08535	0.5
120.08038	0.7
120.24995	0.5
121.06498	0.7
122.06049	0.8
130.98488	0.5
140.07089	0.6
147.08069	0.9
150.05554	0.6
153.01874	0.7
159.05490	0.4
171.00554	2.0
171.08012	0.7
184.37494	0.5
185.04227	6.3
203.03168	100.0
204.03510	1.2
210.11259	0.6
217.09811	0.5
241.09770	0.6
245.09230	2.1
259.10638	0.6
275.78696	0.5
287.10294	0.8
305.11313	3.0
315.09738	0.6
323.12521	1.2
347.15628	0.7
365.08475	27.3
365.13275	2.6
365.20612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.9
56.84513	0.9
57.03431	2.1
57.07082	99.3
59.05010	35.7
65.13960	0.9
67.05509	2.0
69.07059	3.7
71.08639	100.0
79.05512	1.0
81.07070	2.5
83.08622	3.9
85.10192	87.6
89.06041	21.1
91.05457	1.5
93.07048	2.1
95.08620	2.6
97.10142	2.1
99.11742	8.4
101.09674	1.6
107.07062	3.4
109.10139	1.1
111.11736	1.2
117.09131	7.8
129.01855	1.7
131.08551	1.0
133.08618	2.6
141.16371	3.1
145.40968	1.1
147.10162	2.0
165.11208	1.8
179.91133	0.9
185.08237	0.9
195.12335	1.2
199.20569	3.8
257.24710	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
55.05516	7.7
56.67826	0.6
57.03430	0.7
57.07063	2.4
67.05237	0.7
67.05511	7.9
69.07071	12.5
69.15561	6.0
69.15977	1.4
71.05002	1.0
71.08629	1.2
79.05495	4.6
81.07058	13.7
82.58150	0.8
83.04978	1.2
83.08627	4.6
85.06539	1.2
89.05987	1.2
91.05465	2.3
93.07042	6.8
95.08613	13.1
97.06525	2.8
97.10165	1.1
98.21536	1.4
105.07027	3.6
106.72357	0.8
107.08595	5.1
109.06524	7.9
109.10175	4.7
111.08088	3.0
114.85773	0.7
115.38012	0.7
118.61362	0.7
119.08589	5.4
121.10142	4.9
123.08073	67.9
123.11696	2.5
125.09655	0.8
131.08577	1.3
133.10138	4.3
135.08041	5.2
135.11719	1.8
137.09610	4.7
137.13315	1.4
145.10143	1.4
147.11697	2.8
149.09587	1.8
149.13258	2.6
151.11105	0.8
154.04076	0.6
159.11717	1.2
161.13330	1.9
165.12755	1.0
167.14352	1.1
173.13283	1.0
175.14795	0.9
177.12756	1.2
179.14314	14.4
180.14767	0.7
247.20709	0.7
252.35333	0.7
263.20117	1.2
265.21951	0.8
275.20126	2.2
307.22733	9.5
308.23151	1.0
331.26334	5.9
363.28943	100.0
364.29251	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	363.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01860	0.8
55.05523	6.1
57.03427	0.7
57.07082	5.2
59.05001	0.6
66.62165	0.5
67.05518	8.6
69.07073	8.5
71.04995	1.0
71.08637	5.0
71.36164	0.7
79.05492	5.0
81.07063	12.0
81.37549	0.6
83.04976	1.4
83.08633	3.2
83.09060	0.5
85.06524	2.0
89.06050	3.0
91.05473	2.9
93.07050	4.7
95.04984	1.1
95.08620	10.6
97.06550	2.6
97.10171	1.8
99.08088	2.1
103.05590	0.6
105.07037	3.0
107.08608	5.6
109.06526	16.7
109.10136	4.0
111.08086	1.8
118.71794	0.6
119.08595	4.7
121.06541	0.6
121.10136	3.9
122.07314	1.3
123.08080	52.3
123.11713	2.2
125.09549	0.6
131.08582	1.4
133.08594	1.0
133.10159	3.3
135.08093	4.2
135.11726	1.9
137.09628	2.7
137.13263	1.3
145.10129	1.9
147.11702	2.4
149.09660	1.1
149.13226	1.5
157.10191	0.8
159.03970	0.6
159.11699	1.1
161.13252	0.9
163.14832	0.7
165.12775	1.1
167.14337	1.6
175.14751	0.8
179.14330	65.6
180.14708	1.4
193.15915	2.8
195.12027	0.6
212.37018	0.7
251.04675	1.3
275.20105	0.8
289.25134	1.5
307.22751	5.4
331.26306	6.1
363.28964	100.0
364.29343	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	363.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08843	4.6
53.33719	4.3
55.05514	5.7
60.04514	7.5
65.88203	5.1
67.05488	9.9
69.03431	12.8
69.07069	16.0
69.38184	19.3
69.38624	19.4
70.06596	13.7
72.08165	7.3
75.65677	4.6
75.66120	4.2
79.05480	13.6
81.03414	6.1
81.07050	15.7
86.09718	6.8
91.05490	11.2
94.06577	23.1
95.04969	10.2
95.08644	5.2
97.06511	5.8
102.69653	5.3
105.07027	9.2
112.07595	6.6
113.45944	5.3
116.04948	6.2
119.08575	12.4
120.04459	10.7
120.08051	7.2
121.06489	8.7
122.06043	80.5
123.04455	8.0
124.07630	12.6
133.10164	8.3
137.05997	6.9
138.05438	5.7
140.07068	100.0
144.04460	8.7
145.02853	7.7
145.10002	5.3
146.06024	16.6
148.03941	22.2
148.92471	5.3
150.05548	7.9
161.09644	6.4
162.05501	13.7
166.05101	7.4
172.03954	47.1
173.06964	5.8
177.05490	13.7
178.08659	14.0
179.10713	7.9
190.04988	42.4
201.06638	12.5
201.09038	10.4
204.06557	73.4
206.08183	21.9
215.08252	6.8
222.07678	33.3
244.09706	21.6
271.10754	16.1
272.08997	8.3
287.05576	6.7
289.11826	80.7
303.09589	6.9
307.12930	31.0
319.19965	6.6
331.12915	23.2
335.90091	5.6
345.14520	23.2
363.19498	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	363.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.5
57.03437	0.5
63.03667	0.3
64.97646	0.2
67.05493	0.7
71.51133	0.3
79.05499	0.7
81.07068	0.8
83.04961	0.4
91.05484	1.6
93.07040	0.7
95.08628	0.4
97.93607	0.2
103.05451	0.3
105.07031	0.8
107.08613	0.4
107.64910	0.2
111.04581	0.2
111.08017	0.2
113.00043	1.1
115.05459	1.6
117.07013	2.0
118.06549	32.3
119.06846	0.3
119.08580	0.6
120.08115	0.3
121.10175	0.2
130.06543	0.4
131.08598	0.2
132.08089	3.1
133.06482	0.2
133.08887	1.3
133.10063	0.3
134.09654	0.7
134.83113	0.3
142.06508	1.9
142.15930	0.2
143.07306	2.7
144.04480	0.4
144.08098	12.3
145.06511	0.4
145.10130	0.3
146.06017	46.1
146.09644	2.5
147.06393	0.6
147.10388	0.4
153.01767	0.4
155.06136	0.3
160.07602	0.7
169.02644	0.7
170.06029	3.7
176.14359	100.0
177.05641	0.2
177.14706	1.8
188.07077	31.9
189.07449	0.4
216.13840	1.1
234.14902	1.6
258.23038	0.3
271.17026	0.3
286.05991	0.2
289.17993	0.3
335.77225	0.3
361.47650	0.3
363.20734	19.4
364.21210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12618	3.1
57.03431	9.0
57.07079	100.0
58.95679	2.8
59.05001	22.3
69.07051	3.4
71.08634	71.6
71.51626	3.9
72.08168	4.8
75.04458	5.8
85.10184	61.0
87.49449	3.1
93.51675	3.1
97.06528	7.1
99.11706	10.8
113.13296	4.1
115.07584	35.5
117.09177	3.4
129.01863	3.0
133.44672	2.9
155.17906	6.2
213.22203	4.1
308.35144	3.4
362.30679	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
56.05016	0.9
57.03439	4.2
57.03679	0.7
57.74054	0.7
58.99572	1.3
60.04526	3.4
61.02917	0.9
67.05492	2.2
67.81093	0.6
69.03423	2.2
69.07069	1.8
69.98643	0.6
71.05007	1.4
71.50515	1.1
72.08128	1.1
72.63825	0.6
72.73998	0.6
73.02920	5.9
74.06084	1.3
79.05499	1.1
80.05028	0.7
81.03413	1.0
81.07037	2.7
82.06578	1.0
83.04977	1.1
84.04507	2.3
84.08122	1.3
85.02893	2.5
86.00674	1.0
86.09694	2.6
88.04000	1.3
91.05472	1.6
93.07036	3.1
94.06592	4.7
95.04978	2.1
95.08633	1.1
96.08108	0.8
97.02920	1.5
97.06524	2.7
99.04449	0.9
105.00080	1.0
105.07046	2.5
107.08575	3.0
108.08109	2.3
109.06540	4.1
109.10129	0.7
110.06042	4.3
110.09680	0.9
111.06793	0.7
111.08072	1.4
112.07574	0.9
113.06004	1.4
115.03935	0.8
117.00074	0.9
117.06940	0.7
119.08557	1.8
120.08115	0.9
121.06496	5.0
121.10121	1.9
122.02757	4.0
122.06039	10.2
122.09669	1.1
123.04428	1.5
123.08047	1.2
124.07600	3.2
131.08551	1.6
132.01147	1.4
132.10165	1.0
133.10078	1.4
134.09657	2.6
135.08038	2.4
135.11664	1.0
136.07613	3.5
136.11244	1.5
137.05974	2.1
138.09135	4.8
139.07561	2.1
140.07080	13.4
147.08076	1.3
148.11232	3.0
149.05995	1.7
149.09598	2.6
150.09195	1.2
152.07161	1.3
153.01794	2.4
154.08640	18.8
156.10220	1.2
159.11644	1.5
163.11157	3.0
164.10683	1.0
166.12276	4.7
167.07028	5.7
167.10672	1.4
168.10136	1.3
175.11232	0.9
176.10704	3.1
177.09030	1.2
177.12698	1.6
187.11209	1.1
188.03799	1.7
194.11777	12.2
205.12242	3.6
212.12849	7.0
223.13297	2.9
230.13889	100.0
231.14331	1.2
241.14340	5.9
247.84984	0.7
249.32457	0.9
296.14554	0.8
327.12390	1.3
345.13724	2.9
362.09085	0.9
362.16840	2.8
362.25201	4.2
363.16266	1.1
379.59686	0.9
380.17615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.0
55.01875	0.9
57.03425	1.9
61.02921	1.3
67.05507	1.0
69.03432	6.6
69.07083	1.2
70.06595	1.1
71.50854	1.0
74.08138	0.7
79.05461	1.1
81.03421	1.2
81.07048	0.9
84.04502	1.0
84.08141	0.8
85.02902	12.2
85.64381	0.8
86.09704	3.2
88.11257	1.4
89.48765	0.7
91.03974	0.8
91.05476	2.6
93.07027	2.6
94.06560	4.9
95.04930	0.8
96.39091	0.7
97.02904	4.4
98.97588	1.4
99.04457	1.0
108.08122	6.1
109.02871	1.5
109.06548	1.2
110.06055	4.2
112.07564	1.6
114.30748	0.7
121.06473	1.4
122.06031	20.0
127.03915	2.1
136.06549	1.1
136.07587	17.5
137.05959	1.0
139.03877	1.1
139.07565	1.6
140.07068	26.2
145.04965	1.6
149.05946	1.0
152.07004	0.9
153.01839	3.5
154.08640	18.3
164.07030	4.4
180.09001	0.8
182.08130	22.3
183.08167	1.3
188.03804	1.7
200.09186	100.0
201.09488	1.9
201.12476	1.3
208.08406	2.1
219.08415	0.8
236.07904	5.6
240.07382	3.4
253.10545	2.7
277.80978	1.0
282.08453	1.7
298.12759	1.7
299.11075	3.8
327.10657	1.0
344.13193	3.0
362.14133	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	361.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88652	1.0
56.18705	0.9
57.07075	1.6
57.46739	0.9
57.91481	0.8
58.03200	0.9
60.46255	0.8
71.50681	1.0
81.07039	1.7
91.05469	1.1
91.39243	0.8
93.07037	1.0
107.08597	0.9
119.01037	1.6
137.86269	0.8
139.03934	2.0
149.02364	1.6
165.05426	1.0
175.03882	2.7
193.04967	4.4
201.08835	2.8
235.13255	0.9
249.14629	1.0
263.82724	1.0
274.19101	2.3
285.14474	1.1
287.16159	3.8
315.15677	100.0
316.16043	3.1
330.27109	2.4
343.08069	1.6
343.18860	2.1
361.09293	1.2
361.19861	20.4
361.29004	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01855	3.1
55.05506	5.3
57.03418	2.0
57.07059	2.7
65.03936	3.2
66.58130	1.9
67.05509	5.9
69.03428	6.0
69.07070	5.3
70.06580	1.6
71.04997	3.2
71.50682	2.5
72.08144	2.5
77.03899	1.9
79.05498	20.3
81.03439	3.2
81.07060	13.3
83.04972	4.4
83.08627	1.9
84.08137	1.8
85.02898	3.7
85.06553	3.9
85.75142	1.6
86.09734	3.0
91.05486	33.3
93.07040	17.1
95.04983	12.8
95.08621	9.9
97.06527	2.1
97.10143	2.7
103.05454	14.1
103.37710	1.8
105.04508	1.9
105.07040	16.5
106.04164	2.3
107.04961	39.6
107.08600	9.1
109.02830	1.9
109.06503	4.5
109.10159	6.8
110.03647	1.9
111.04528	3.3
115.05447	6.3
117.07011	7.5
119.04932	10.0
119.08572	6.2
120.05690	4.2
121.06504	26.2
121.10168	3.9
123.04394	8.4
123.08107	2.3
123.11687	4.1
124.05197	6.7
124.07592	1.9
125.05987	3.8
125.09649	2.4
127.03906	2.6
128.06241	10.8
129.07011	30.7
131.04944	12.0
131.08563	15.5
133.02843	3.4
133.06497	5.8
133.10141	3.2
135.04425	3.9
135.08044	10.7
135.11726	4.3
137.05978	22.6
138.06760	2.4
140.04765	2.0
144.05672	2.2
145.06490	8.2
145.10196	2.7
146.07257	3.8
147.04388	4.9
147.08084	2.2
148.05180	4.5
149.06004	9.4
149.09602	3.0
151.03920	6.8
151.07553	28.2
152.04668	3.1
152.06177	1.7
153.01811	7.2
153.05457	20.5
153.06705	3.0
155.07042	3.2
155.08429	2.8
157.06509	22.1
158.07300	2.3
159.04433	2.5
159.11632	2.5
161.05992	36.1
161.09616	13.6
162.06673	2.2
163.03920	4.2
163.07561	17.8
165.05661	3.1
165.06978	12.6
165.09093	11.0
166.06247	12.4
166.07715	4.5
167.07057	62.3
167.08553	5.9
169.10075	2.6
171.08096	2.7
173.05894	2.3
174.06790	13.0
175.07504	8.2
177.05515	3.4
177.06960	3.8
177.09128	12.1
178.07735	3.5
179.07063	5.0
179.08583	6.4
180.09358	3.3
181.05119	3.0
181.06569	4.7
181.08606	100.0
182.07292	8.3
183.08064	4.8
187.07567	3.8
188.08366	1.8
189.09113	79.5
190.07768	3.9
190.09428	2.0
191.03418	2.7
191.06944	2.5
191.08560	4.2
191.10675	5.6
193.06366	3.3
193.08594	4.0
194.07312	4.0
195.08034	10.6
196.08821	3.2
197.05997	2.7
197.09673	11.3
199.07616	4.0
203.10651	3.3
207.08031	7.1
207.10191	13.1
208.08835	3.9
209.06073	2.0
209.09566	3.3
210.06778	7.3
211.07541	7.4
211.10968	2.2
212.08337	2.6
214.05026	4.5
219.08061	7.1
221.06024	7.6
222.06781	4.2
223.07510	7.4
223.11122	4.6
224.08353	3.9
225.05553	2.7
225.09120	18.4
227.07016	6.5
229.12262	3.7
235.07593	3.3
236.08273	4.7
237.05464	2.4
237.09160	3.0
238.06213	2.2
239.07030	4.9
239.10677	3.6
240.07884	3.9
241.08539	3.4
242.09404	4.3
251.07028	4.4
251.10783	4.8
253.08630	18.1
254.09444	3.1
255.06523	3.7
255.10118	6.4
257.11755	15.0
265.08658	2.8
268.07275	2.1
269.08105	2.4
270.08771	4.3
271.13278	4.3
279.10190	6.4
282.08725	2.6
283.09689	12.6
283.13312	9.2
285.08121	4.0
285.11240	35.3
287.05542	2.9
288.08694	4.2
289.14175	2.0
296.10416	2.3
297.11346	3.6
299.09143	4.1
299.12732	4.5
301.14560	3.5
302.11493	3.3
311.12875	5.8
315.12213	18.5
317.13788	18.4
328.12970	2.9
329.14182	3.2
331.15442	2.5
343.15381	9.4
361.09299	3.7
361.16638	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	361.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01855	3.1
55.05506	5.3
57.03418	2.0
57.07059	2.7
65.03936	3.2
66.58130	1.9
67.05509	5.9
69.03428	6.0
69.07070	5.3
70.06580	1.6
71.04997	3.2
71.50682	2.5
72.08144	2.5
77.03899	1.9
79.05498	20.3
81.03439	3.2
81.07060	13.3
83.04972	4.4
83.08627	1.9
84.08137	1.8
85.02898	3.7
85.06553	3.9
85.75142	1.6
86.09734	3.0
91.05486	33.3
93.07040	17.1
95.04983	12.8
95.08621	9.9
97.06527	2.1
97.10143	2.7
103.05454	14.1
103.37710	1.8
105.04508	1.9
105.07040	16.5
106.04164	2.3
107.04961	39.6
107.08600	9.1
109.02830	1.9
109.06503	4.5
109.10159	6.8
110.03647	1.9
111.04528	3.3
115.05447	6.3
117.07011	7.5
119.04932	10.0
119.08572	6.2
120.05690	4.2
121.06504	26.2
121.10168	3.9
123.04394	8.4
123.08107	2.3
123.11687	4.1
124.05197	6.7
124.07592	1.9
125.05987	3.8
125.09649	2.4
127.03906	2.6
128.06241	10.8
129.07011	30.7
131.04944	12.0
131.08563	15.5
133.02843	3.4
133.06497	5.8
133.10141	3.2
135.04425	3.9
135.08044	10.7
135.11726	4.3
137.05978	22.6
138.06760	2.4
140.04765	2.0
144.05672	2.2
145.06490	8.2
145.10196	2.7
146.07257	3.8
147.04388	4.9
147.08084	2.2
148.05180	4.5
149.06004	9.4
149.09602	3.0
151.03920	6.8
151.07553	28.2
152.04668	3.1
152.06177	1.7
153.01811	7.2
153.05457	20.5
153.06705	3.0
155.07042	3.2
155.08429	2.8
157.06509	22.1
158.07300	2.3
159.04433	2.5
159.11632	2.5
161.05992	36.1
161.09616	13.6
162.06673	2.2
163.03920	4.2
163.07561	17.8
165.05661	3.1
165.06978	12.6
165.09093	11.0
166.06247	12.4
166.07715	4.5
167.07057	62.3
167.08553	5.9
169.10075	2.6
171.08096	2.7
173.05894	2.3
174.06790	13.0
175.07504	8.2
177.05515	3.4
177.06960	3.8
177.09128	12.1
178.07735	3.5
179.07063	5.0
179.08583	6.4
180.09358	3.3
181.05119	3.0
181.06569	4.7
181.08606	100.0
182.07292	8.3
183.08064	4.8
187.07567	3.8
188.08366	1.8
189.09113	79.5
190.07768	3.9
190.09428	2.0
191.03418	2.7
191.06944	2.5
191.08560	4.2
191.10675	5.6
193.06366	3.3
193.08594	4.0
194.07312	4.0
195.08034	10.6
196.08821	3.2
197.05997	2.7
197.09673	11.3
199.07616	4.0
203.10651	3.3
207.08031	7.1
207.10191	13.1
208.08835	3.9
209.06073	2.0
209.09566	3.3
210.06778	7.3
211.07541	7.4
211.10968	2.2
212.08337	2.6
214.05026	4.5
219.08061	7.1
221.06024	7.6
222.06781	4.2
223.07510	7.4
223.11122	4.6
224.08353	3.9
225.05553	2.7
225.09120	18.4
227.07016	6.5
229.12262	3.7
235.07593	3.3
236.08273	4.7
237.05464	2.4
237.09160	3.0
238.06213	2.2
239.07030	4.9
239.10677	3.6
240.07884	3.9
241.08539	3.4
242.09404	4.3
251.07028	4.4
251.10783	4.8
253.08630	18.1
254.09444	3.1
255.06523	3.7
255.10118	6.4
257.11755	15.0
265.08658	2.8
268.07275	2.1
269.08105	2.4
270.08771	4.3
271.13278	4.3
279.10190	6.4
282.08725	2.6
283.09689	12.6
283.13312	9.2
285.08121	4.0
285.11240	35.3
287.05542	2.9
288.08694	4.2
289.14175	2.0
296.10416	2.3
297.11346	3.6
299.09143	4.1
299.12732	4.5
301.14560	3.5
302.11493	3.3
311.12875	5.8
315.12213	18.5
317.13788	18.4
328.12970	2.9
329.14182	3.2
331.15442	2.5
343.15381	9.4
361.09299	3.7
361.16638	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	361.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.4
55.82489	1.3
61.13419	1.3
61.67220	1.5
69.38825	8.3
69.39229	3.6
70.06590	3.7
79.33121	1.4
79.86793	1.4
81.03400	1.9
86.09706	2.6
108.69833	2.0
116.48741	1.6
125.07121	2.2
125.44636	1.5
140.66829	1.6
146.34476	1.4
152.07112	2.3
153.10252	2.6
155.08527	2.3
165.07014	10.9
166.07884	2.4
167.08665	1.9
169.06531	2.9
178.07762	2.8
179.08589	23.8
179.10114	2.2
181.06557	3.4
181.09923	3.6
183.08081	26.5
189.07025	4.1
191.08565	2.0
193.06364	6.9
194.07278	4.0
197.05984	3.6
199.10802	4.5
200.09195	5.3
207.08067	61.1
208.08656	1.8
209.09688	4.1
210.06929	2.1
210.09143	9.7
211.07590	17.0
217.06454	8.1
219.08022	2.0
221.05867	13.3
223.07581	3.3
234.09171	2.9
235.07562	100.0
236.10779	1.6
237.09181	9.2
238.08638	3.6
239.07050	68.6
251.11842	1.7
252.10219	76.1
253.08559	2.7
254.11714	3.0
263.07104	9.6
267.06595	1.9
269.12857	1.7
280.09692	15.5
281.08096	52.2
284.09164	7.4
297.12360	46.5
298.10760	78.0
315.13345	14.9
326.10242	15.8
327.08447	1.9
343.12930	61.3
344.11386	4.7
361.13962	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	361.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56100	32.4
72.08115	11.3
84.08128	12.8
85.02895	29.3
96.82200	9.7
98.97573	12.3
101.00921	14.0
115.02431	16.0
117.04028	16.7
119.01894	14.3
132.10699	13.2
143.01894	15.3
145.03442	46.8
159.01469	14.1
169.03514	18.8
183.08078	16.2
191.03960	11.6
199.02129	17.4
212.76918	10.2
213.02336	17.3
223.01109	11.5
235.07510	13.3
241.02026	11.4
252.10117	22.9
298.10864	24.4
301.00507	15.0
315.13370	21.7
329.03772	25.1
333.48587	10.4
361.05511	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	3.9
56.96569	12.2
57.03443	5.3
58.99877	2.5
61.02922	8.2
65.50124	2.8
67.05505	3.7
69.03436	16.8
70.06606	4.3
71.04993	3.6
71.50226	4.2
72.08165	7.5
73.02943	3.4
77.00882	3.3
81.03431	10.5
82.99854	6.3
84.04542	3.3
84.08128	8.3
85.02901	52.3
86.09716	7.5
91.05457	4.8
94.50979	2.4
95.04956	5.0
97.02894	16.8
98.97580	10.8
99.04482	3.1
100.27802	2.7
101.00883	45.1
109.02889	7.6
113.00879	8.4
115.02470	3.6
116.98701	3.1
119.01151	5.0
119.01926	57.8
119.07338	5.5
120.06558	2.9
120.71906	2.9
121.06494	5.0
126.05562	5.7
127.02412	4.3
127.03925	10.5
129.03999	9.5
129.10260	3.0
130.05017	4.4
131.01918	21.2
132.02106	2.8
133.06068	2.4
134.06010	3.2
135.06741	3.3
136.07550	5.0
137.02969	5.0
139.02336	4.0
139.03911	8.9
143.01892	30.8
145.03447	15.0
145.04999	7.5
147.01421	4.9
147.05078	3.2
147.07664	3.7
153.01845	19.9
153.04002	11.7
153.05128	3.1
154.02196	4.0
155.01913	15.9
155.05545	21.9
157.03477	35.7
158.99670	3.6
161.02962	30.8
167.05608	3.9
169.03583	4.1
171.05049	25.2
173.02971	12.0
173.06627	24.1
175.04523	23.7
179.08664	3.1
181.03467	22.5
183.05077	10.5
185.02951	11.6
185.06711	5.4
186.04459	3.8
187.04716	3.5
193.03400	3.6
195.05038	33.3
197.02843	3.6
197.06586	34.0
199.04529	100.0
199.10764	4.3
201.06071	5.4
203.04048	7.7
207.08052	9.1
211.04498	24.2
213.06090	30.7
215.07721	13.7
217.05666	19.7
219.01671	3.5
221.05067	7.6
223.04529	25.8
225.06078	4.3
229.05582	7.3
235.07533	11.6
237.02783	6.0
237.09132	4.1
239.07088	4.6
241.05574	88.7
242.05807	3.7
245.05116	13.9
252.10248	11.3
253.05693	6.2
254.11729	8.0
259.06625	23.8
263.06186	4.2
267.03571	4.1
268.26685	2.6
269.12833	4.5
275.09790	8.1
281.08075	4.5
283.06619	6.5
296.07080	3.0
297.12488	4.3
298.10889	10.2
301.07681	40.0
315.13364	15.2
319.08713	30.2
320.09061	2.8
337.09995	8.2
343.12830	4.7
361.10358	15.0
361.14337	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	360.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	16.2
55.05503	30.9
67.05509	100.0
69.03426	18.7
74.05246	15.5
79.05499	29.4
81.07034	34.5
83.08609	16.9
85.95966	14.1
88.02213	13.3
91.05474	23.3
93.07063	34.7
95.08611	20.4
97.10196	20.3
98.21532	38.2
105.07089	16.5
107.08566	31.4
109.10161	71.9
111.59505	14.2
120.05217	14.0
133.10139	15.7
137.47992	12.7
145.10181	19.0
155.10727	27.6
173.11787	73.7
187.13284	48.4
195.13913	14.2
203.12718	21.2
273.02008	13.2
275.19977	28.1
360.28870	15.1
376.12570	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	361.053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56569	9.3
53.37707	9.9
57.87593	9.9
62.90263	9.7
69.03414	10.5
69.95003	44.4
84.08141	16.2
85.02895	29.4
97.02903	10.5
98.20786	14.1
101.00878	12.7
107.36798	10.0
117.03951	19.6
127.02483	13.7
131.01872	10.6
135.06824	14.0
143.01981	15.4
145.03455	39.4
154.51118	11.1
157.03462	19.3
175.00046	12.1
195.01633	9.8
199.02229	15.9
203.50023	11.5
207.08073	13.8
213.02612	14.2
227.23555	11.4
235.07576	28.9
237.08978	12.7
239.07021	26.2
252.10254	17.9
257.01468	13.3
298.10696	21.8
301.03992	11.8
315.13306	18.7
329.03659	24.2
361.05496	100.0
361.13684	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	360.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09954	9.0
54.85019	9.0
55.05508	38.7
66.13910	10.2
66.76207	9.0
67.05516	83.8
69.07057	42.0
69.86645	17.7
69.87064	34.8
70.06611	13.5
71.04991	72.1
79.05495	71.3
81.07054	40.0
83.08622	21.0
83.26255	9.6
86.55817	9.4
91.05481	38.0
93.07063	74.4
95.08608	37.1
97.10163	18.4
105.07047	28.0
107.08603	45.5
109.10194	51.1
119.08580	27.6
121.06581	11.7
121.10159	55.5
125.09625	29.8
131.08499	12.4
135.08023	10.5
147.11707	11.1
151.07581	16.4
153.12740	36.2
154.83775	9.4
155.10655	21.5
168.56209	11.2
173.11751	100.0
173.59070	11.0
185.79367	9.7
189.11247	22.4
207.18022	10.4
275.20038	32.6
275.72977	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	15.7
55.05510	69.4
59.05006	72.3
67.05505	68.7
69.03424	23.1
69.07073	100.0
70.06599	13.7
71.04987	37.2
71.51689	16.6
75.41338	11.7
79.05504	61.5
81.03407	22.8
81.07035	45.3
83.05014	16.4
83.08616	42.9
84.08126	15.9
85.06561	15.1
88.03986	17.3
91.05475	35.9
93.07043	44.9
95.04967	36.3
95.08612	18.0
97.06526	53.5
97.10191	56.1
105.07019	36.9
107.04928	13.0
107.08607	40.8
109.10160	14.1
115.07546	31.4
119.08598	25.4
121.06496	18.1
121.10162	17.9
123.08079	13.4
125.09612	48.5
131.08571	20.0
133.10095	12.3
149.09526	16.1
189.11133	21.3
223.13228	18.0
258.73413	14.9
274.27600	17.7
323.97571	12.4
381.06821	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	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.9
55.05525	30.1
65.97774	7.1
67.05508	86.5
69.07060	19.6
70.90040	8.0
70.90363	8.8
79.05508	30.9
81.07071	37.3
83.08610	16.1
91.05490	21.8
93.07065	15.8
95.04993	6.7
95.08609	22.3
97.10181	21.3
105.07036	17.0
107.08591	50.0
109.10178	87.3
111.08067	8.4
119.08564	13.5
121.06454	10.1
121.10107	12.9
124.28582	6.3
125.09624	26.0
133.10095	11.6
135.08107	11.6
137.09676	9.4
145.10124	8.0
147.11626	8.0
149.09676	7.4
149.45045	6.5
155.10693	19.7
173.11760	100.0
183.27351	8.1
187.13318	56.1
203.12819	28.4
203.75613	6.6
237.13638	6.8
250.66338	6.2
257.18976	9.3
275.20032	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.129
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66315	1.0
69.03410	1.2
70.41689	3.7
70.42379	1.0
75.57126	1.1
79.05466	1.1
85.02895	3.9
92.16666	1.2
95.04996	1.2
95.31221	1.0
102.60906	1.0
121.02853	2.4
121.06487	2.6
133.02846	2.0
135.04475	2.0
149.02347	100.0
163.03908	65.9
181.04959	26.2
257.98822	1.0
360.21695	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	360.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62019	0.7
55.01862	1.2
55.05489	0.6
57.03434	1.8
60.04514	1.1
66.16878	0.8
67.05473	0.7
68.99777	1.4
69.03414	1.2
69.07011	0.8
70.06588	5.2
71.04945	1.1
71.05286	1.2
72.08166	6.9
77.07307	0.6
79.05480	1.5
81.07034	1.9
83.01328	1.0
84.04490	1.4
84.08130	0.7
86.09715	5.1
87.04462	1.0
91.05466	3.0
92.16551	0.8
93.07028	1.9
95.04958	2.8
95.08620	1.0
102.05515	1.0
105.07012	2.2
107.04935	2.0
107.08576	1.7
109.06485	1.0
110.06013	0.8
115.05466	1.0
117.07057	3.4
119.04932	3.2
121.06517	7.6
123.03587	1.3
123.04436	19.5
124.07603	3.7
132.08098	1.2
132.10194	3.2
135.04404	2.7
135.08092	4.0
136.07562	2.3
137.05978	1.7
138.09119	1.3
145.06487	3.5
147.04436	7.7
149.06029	3.8
151.03902	1.6
153.01839	1.0
158.35188	0.7
161.05927	1.9
163.03891	2.5
163.07564	13.9
165.05531	6.0
173.06001	7.5
175.07529	1.0
176.04590	0.9
179.07076	4.5
183.11343	1.9
185.16556	1.5
190.08640	13.5
191.07037	61.5
198.11298	3.7
201.12337	2.0
203.07062	2.4
208.09695	100.0
209.10164	1.1
211.10902	0.8
220.09689	1.7
221.08002	0.8
325.10721	4.4
342.13245	3.4
343.11859	2.6
360.14441	24.7
360.21948	2.5
360.28137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.05507	17.6
57.03417	6.1
57.07078	10.3
57.75424	4.6
59.86189	4.9
65.03959	6.4
67.05509	33.4
69.03425	7.6
69.07069	57.9
69.80849	8.9
69.81256	25.5
72.08173	7.1
77.37107	5.2
78.17549	4.7
79.05493	19.5
81.07066	100.0
83.04962	8.5
83.08624	10.2
84.08138	13.1
85.02916	14.0
85.06546	18.3
89.38280	5.5
91.05479	24.1
93.07053	45.8
95.04978	22.9
95.08608	60.2
97.06542	17.8
97.10206	6.9
99.04459	6.7
99.08125	7.6
105.07027	22.4
107.04993	11.6
107.08588	37.8
109.02882	5.3
109.06543	4.9
109.10165	35.9
111.11735	6.7
119.08594	14.6
121.02914	14.1
121.06481	10.9
121.10164	35.9
123.11740	27.0
124.12074	5.3
125.05992	13.0
125.09647	10.2
131.08591	11.4
133.10141	11.8
135.08044	5.9
135.11703	21.6
137.05952	33.1
139.03915	7.9
139.11157	12.2
145.10121	12.6
147.11688	18.3
149.13272	11.8
151.03928	8.3
151.07607	6.8
151.11229	6.2
153.01880	45.4
153.05484	8.5
153.12764	12.0
155.10670	6.1
157.10201	6.3
159.08032	8.8
159.11646	7.2
161.05974	12.0
161.09587	6.1
163.11124	7.2
165.06984	12.6
165.12770	7.0
167.07117	14.0
167.08601	7.2
181.05023	13.7
181.06506	8.0
181.12253	9.9
185.35721	5.1
187.07475	6.8
191.03452	7.8
191.07076	6.4
193.06583	9.7
194.07307	8.7
195.08040	11.8
197.06033	6.8
204.22928	5.2
207.08130	6.6
209.09630	6.0
209.43582	5.3
210.06770	17.6
211.07590	8.0
221.05986	14.1
221.09612	12.0
222.06743	7.3
223.07610	14.3
224.08379	10.9
225.09105	22.7
227.07043	11.2
228.04100	8.2
237.09172	12.4
238.06200	10.1
238.09764	8.9
239.07106	15.8
240.07896	22.1
241.08675	7.1
244.11104	6.4
249.09143	10.9
251.07039	11.7
252.07858	8.2
253.08589	59.3
253.11382	6.1
253.12172	6.2
255.06560	10.0
257.07947	8.2
265.08679	9.4
267.10345	11.8
268.07346	11.6
269.08124	11.9
270.08917	6.2
277.08466	6.7
281.08231	13.9
281.11700	13.7
283.09717	18.8
285.08249	6.4
285.11127	31.2
295.09598	8.6
297.11353	6.6
299.05652	7.0
299.12952	10.4
300.10037	16.1
305.24747	15.6
309.11252	19.6
313.10699	61.6
313.14380	40.6
317.06573	21.9
327.12329	74.3
331.15369	13.1
341.13901	36.5
359.07684	23.7
359.11432	6.5
359.14981	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.6
55.05511	28.1
57.03440	7.5
57.07087	3.4
61.01142	7.3
66.19629	3.2
67.05508	26.0
69.03436	7.6
69.07066	33.7
70.06577	6.0
71.50418	4.8
72.08138	6.1
79.05490	22.1
81.07060	100.0
83.04993	8.3
83.08614	14.4
84.08154	9.1
85.02960	4.6
85.06539	11.7
86.09692	4.3
87.02672	4.7
91.05458	16.1
93.07041	34.0
95.04984	9.9
95.08606	56.7
97.06524	8.4
97.10204	15.6
99.04462	3.3
99.08080	5.9
101.06042	7.8
105.07047	20.1
107.08601	36.8
109.06566	5.5
109.10157	20.4
111.04429	3.6
111.08115	15.5
111.11740	6.8
115.05446	3.5
119.04960	4.0
119.08590	17.5
121.06480	7.6
121.10151	24.5
122.03713	3.6
123.08113	3.7
123.11718	43.0
125.09618	10.3
131.08604	3.7
133.10147	10.6
135.08087	5.9
135.11732	12.4
137.05983	12.9
137.13229	11.9
139.03937	7.9
139.11177	10.3
142.08673	6.0
145.10130	5.1
147.11725	22.1
149.13272	29.1
151.03946	3.8
151.07532	5.9
153.01842	4.4
153.12767	3.2
155.06053	4.0
155.14365	3.6
157.12283	7.6
159.08374	10.9
161.05994	10.8
161.09644	5.1
163.07526	7.5
163.14912	6.1
165.06912	3.7
165.12778	10.2
167.07048	3.2
175.09734	3.7
175.11220	4.1
175.14835	4.7
177.05408	3.3
184.63651	3.2
187.13365	6.1
191.06996	3.9
197.11688	6.0
224.13849	3.2
229.06055	7.6
230.06508	21.3
253.08592	4.8
257.05634	4.1
258.05899	12.0
265.08679	4.5
267.16174	4.1
277.99152	3.4
279.10236	3.2
293.24960	3.4
299.13211	3.4
305.24933	18.9
313.10690	9.3
323.25818	8.9
341.09583	7.7
341.13736	6.0
341.31924	3.2
359.07843	3.5
359.15121	9.3
359.20151	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	359.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42912	2.7
53.03931	6.4
54.27503	3.5
55.01878	6.0
55.05514	25.4
57.03436	8.8
57.07082	6.8
65.03933	6.5
66.00150	3.0
67.05511	33.2
69.03423	5.5
69.07073	42.2
70.06588	3.3
70.83556	4.4
70.83917	8.2
71.04993	9.3
79.05479	23.9
81.07059	100.0
83.04973	4.9
83.08610	9.4
84.08138	34.7
85.02882	7.2
85.06531	15.2
91.05484	23.9
93.07050	52.3
95.04967	14.6
95.08069	5.0
95.08617	64.0
97.02892	4.3
97.06519	8.0
97.10186	18.1
99.08075	4.6
103.05476	4.8
105.07037	21.2
107.04946	8.2
107.08611	39.9
109.06499	7.1
109.10157	25.9
110.10416	3.7
111.04449	9.3
111.08057	19.0
111.11746	8.5
115.05457	4.7
117.07038	4.2
119.04882	4.5
119.08565	16.4
121.02856	15.2
121.06501	8.1
121.10142	29.0
123.04441	7.0
123.08018	6.1
123.11708	45.7
125.06041	6.2
125.09602	12.3
129.07042	4.6
131.04968	4.9
131.08577	9.8
133.10124	11.5
135.08015	5.2
135.11691	13.5
137.05998	16.4
137.13275	12.0
139.03880	8.5
139.11166	13.1
141.07013	3.6
143.08568	4.8
144.10194	5.4
145.06535	3.8
145.10086	5.1
147.11693	7.8
149.09624	4.4
149.13268	27.1
151.03891	11.5
151.07616	3.9
153.01836	39.2
153.05405	6.3
153.12675	6.1
157.10144	5.9
157.12204	5.7
159.08069	4.5
159.11716	10.0
161.05945	8.3
161.09583	8.2
161.13173	5.1
163.03896	4.8
163.14890	5.1
164.02509	3.7
165.07059	6.7
165.09190	3.8
165.12750	5.7
165.77765	3.5
169.12244	7.0
171.11684	3.5
173.09592	3.4
173.13228	5.7
179.07057	10.5
179.08469	4.2
179.14351	3.9
181.04941	10.6
181.06416	4.5
187.13278	6.4
189.09137	7.2
191.03346	8.6
195.07983	5.8
197.08131	38.2
197.11711	3.7
204.94820	3.4
210.06706	4.9
211.07635	7.4
220.08905	3.7
221.09570	5.9
223.07542	4.8
225.09032	4.1
227.07022	5.1
238.09908	5.4
239.06992	4.1
240.07803	14.8
241.08536	6.9
249.18474	5.6
251.07092	7.0
252.07747	5.1
253.08638	26.3
253.12242	8.5
255.06680	4.4
255.10068	4.7
257.08060	4.5
265.08578	5.9
268.07291	7.1
269.08121	8.3
270.08887	5.5
281.11621	7.6
283.06204	3.9
283.09708	11.9
285.07858	4.9
285.11380	4.5
293.24789	4.7
298.08624	4.2
299.12784	11.7
300.09827	10.8
305.24832	22.8
309.11176	9.8
313.10672	40.2
313.14343	19.8
323.25867	12.7
327.12244	44.4
331.15558	9.2
341.10260	4.1
341.13800	20.2
341.21234	6.2
359.14984	55.5
359.21179	6.1
359.29108	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	359.1702
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03964	2.2
55.37712	1.5
61.02949	3.7
61.53001	1.5
69.03433	8.1
71.15028	4.3
79.05514	2.2
81.03394	2.3
81.07074	3.0
82.28229	1.5
85.02913	34.6
86.09702	5.2
91.05500	8.1
93.07040	10.6
95.04972	3.7
97.02905	8.0
97.96756	1.7
99.04461	1.7
105.07032	8.7
107.04922	1.9
107.08607	25.1
109.02892	2.8
109.06542	1.8
109.10180	3.5
119.04998	1.9
119.08547	2.6
121.06496	3.5
121.10155	2.7
124.03929	2.3
127.03900	6.1
133.10132	22.9
135.11694	23.7
136.07526	2.7
137.06041	2.7
145.04906	2.6
148.10817	1.9
151.11162	2.6
161.09619	13.1
179.10681	45.1
197.11748	100.0
200.13968	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.7
57.03425	1.3
61.02928	1.8
67.05501	2.2
69.03418	3.6
69.07060	1.0
69.36983	2.2
69.37405	4.0
73.02927	1.2
79.05500	2.3
81.03424	1.4
81.07078	4.0
84.08127	1.3
85.02912	9.6
86.09707	6.1
91.05466	3.4
93.07051	6.3
95.04969	1.0
95.08597	2.2
97.02909	1.5
99.04459	0.9
102.18862	0.8
105.07041	7.9
106.07394	0.8
107.08604	34.8
109.02940	1.1
109.06539	1.5
109.10116	2.0
119.08569	4.6
121.06512	2.2
121.10154	6.1
123.11763	1.0
127.03957	1.7
131.08603	0.9
133.10139	19.1
137.05977	3.5
139.07628	1.3
143.08557	0.9
143.11815	1.1
147.04419	1.0
149.09616	5.3
151.03883	1.2
151.07480	1.0
151.11211	8.5
153.01836	1.0
161.05943	1.0
161.09619	6.1
163.07631	0.9
167.10677	14.3
168.97191	0.9
179.10692	16.9
189.12303	0.9
191.03372	0.9
197.11748	100.0
198.12085	2.5
198.14917	1.3
205.31583	0.9
247.07750	1.0
248.07858	0.8
305.24249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01867	3.2
55.05509	2.2
57.03426	3.5
61.02917	6.5
67.05495	3.4
67.35067	1.2
69.03144	1.2
69.03429	13.3
69.07067	1.8
69.70544	4.1
69.70952	3.4
70.06608	5.7
72.08166	7.7
73.02921	3.0
79.05467	2.7
81.03420	6.2
81.07030	3.1
83.04976	2.2
84.08134	2.4
85.02908	37.7
86.09711	5.5
87.04489	2.4
91.03967	2.6
91.05478	7.1
93.07044	8.3
95.04932	2.7
95.08598	5.0
97.02900	11.2
98.20673	2.0
99.04427	2.3
103.05448	1.3
105.07031	9.0
107.08596	65.2
108.08930	1.1
109.02895	3.9
109.06509	2.7
109.10171	10.1
112.56905	1.3
119.04933	2.2
119.08572	2.5
121.06483	3.9
127.03941	8.5
129.10237	2.5
130.06509	2.7
131.04985	1.3
133.06551	1.5
133.10147	25.0
135.11688	10.8
137.05989	3.9
137.09596	8.6
139.03896	1.5
145.04982	6.6
151.07520	1.4
151.11157	5.2
153.01807	1.2
157.07594	2.6
161.05885	1.3
161.09613	7.5
163.03918	2.5
163.07501	1.9
179.10674	25.7
190.91335	1.3
191.06984	2.0
197.11739	100.0
198.12128	1.9
208.09673	2.3
209.10837	1.2
281.08142	1.3
292.03644	1.3
341.11258	8.8
359.12366	1.4
359.16885	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	358.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37270	0.2
54.97983	0.1
55.05507	0.3
57.07081	7.1
58.06611	0.9
60.04526	0.2
60.70852	0.1
62.06091	0.4
68.05022	0.3
69.07059	0.2
69.82607	0.9
70.06596	13.4
71.08637	3.1
72.08170	0.2
83.08665	0.2
85.10200	1.5
86.06053	0.3
88.07636	15.8
102.09187	4.4
106.08675	8.7
106.22182	0.2
165.03377	0.2
296.33279	0.4
314.34113	0.9
339.50897	0.2
340.35739	5.5
341.35934	0.3
358.36798	100.0
359.37186	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	359.149
Annotation	Negundin B
Peak:m/z	Relative Intensity
54.48947	1.7
55.01853	1.8
55.67451	1.8
65.03944	8.7
67.05513	3.2
67.88206	1.8
69.03439	3.0
69.07076	3.0
70.20341	4.9
70.20739	4.0
78.39742	1.9
79.05502	2.3
82.04224	2.0
90.29076	1.8
91.05495	3.8
93.03423	5.0
93.25415	1.8
95.01336	2.1
95.04955	2.3
103.05487	2.7
105.07074	3.2
107.04939	5.7
110.03658	7.6
111.04436	4.4
116.06190	1.8
117.07042	1.8
119.36524	2.0
121.02877	20.8
125.06010	7.6
133.02847	1.9
135.08070	2.7
137.05978	2.6
138.03130	3.2
144.05711	3.1
145.06474	4.3
147.08052	2.2
149.02316	5.2
151.20148	1.9
153.01834	7.3
153.05476	10.5
159.08080	5.4
161.09607	3.7
162.06834	3.5
165.07033	7.9
166.07806	3.5
167.07103	3.1
167.08603	5.1
169.06482	2.2
171.08054	2.5
178.07816	6.4
179.08551	3.8
181.04964	23.8
181.06538	9.7
182.07285	4.3
183.08025	3.9
187.07483	3.2
191.08583	4.3
193.10179	2.3
194.07291	4.1
195.07993	14.1
197.05930	8.8
197.09608	3.9
198.06844	2.5
199.07492	3.9
203.08620	2.6
205.06534	4.4
206.07246	4.4
207.08058	3.6
209.06039	5.5
209.09587	4.6
210.06792	16.4
210.10345	2.5
211.07590	9.3
212.08301	8.0
219.08002	3.7
220.08769	2.1
221.05969	3.9
221.09589	15.5
222.06897	5.0
222.10370	4.1
223.07523	19.7
224.08269	7.8
225.05557	3.5
225.09122	10.9
226.06328	1.9
227.07047	12.0
227.10660	4.2
234.06857	4.7
235.07599	5.4
237.09103	8.8
238.06319	9.2
238.09998	12.4
238.12067	2.1
239.07103	14.5
239.10759	3.8
240.07819	27.2
241.08600	5.9
242.05699	2.5
249.09111	9.4
250.09898	3.0
251.07042	10.5
251.10670	3.2
252.07921	5.3
253.08607	55.2
253.12173	15.3
254.09322	8.7
255.06503	8.2
255.10214	13.7
257.08060	12.7
265.08612	8.3
266.05722	2.3
266.09427	10.0
267.06500	4.4
267.10272	7.6
268.07333	11.0
269.08102	14.6
270.08945	4.0
280.07666	2.7
281.08069	16.3
281.11755	20.1
282.08820	4.4
283.06076	6.9
283.09671	26.1
284.10391	7.4
285.07880	3.5
285.11230	5.4
285.14532	2.6
295.09555	3.7
297.07523	5.9
297.11072	3.2
298.08347	11.1
298.11786	4.5
299.12759	20.1
300.09885	18.2
309.11307	13.0
310.11975	3.7
313.10715	84.9
313.14380	56.3
317.14941	2.2
326.11499	7.1
327.12274	96.0
328.12982	3.7
331.15491	24.9
341.13831	51.6
355.20624	1.9
359.14896	100.0
383.29736	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	359.1489
Annotation	Negundin B
Peak:m/z	Relative Intensity
55.01878	3.4
55.05499	3.5
65.03925	7.4
67.05490	6.0
69.03424	2.6
69.07047	5.9
69.77304	3.2
69.77722	6.7
71.05004	2.5
79.05495	3.9
81.03413	2.3
81.07063	9.2
85.02913	3.8
88.54230	1.6
91.05495	4.9
93.03413	3.4
93.07034	4.2
95.04939	3.6
95.08598	5.1
97.06547	1.7
105.07080	2.6
107.04946	6.3
107.08578	3.1
109.10133	4.2
110.03664	2.8
111.04464	3.4
119.08559	2.5
121.02877	18.6
121.06511	3.0
121.10130	2.9
123.11711	2.3
125.05979	5.9
129.06946	2.1
133.10129	1.8
135.04449	2.2
135.08078	4.3
137.05972	2.7
138.03162	2.3
144.05786	3.1
145.06509	2.3
146.07256	1.9
149.01273	1.8
149.02315	4.3
152.06223	3.1
153.01865	5.6
153.05466	7.9
153.06921	3.7
158.07268	1.9
159.08090	6.3
161.06013	2.8
161.09645	4.1
162.06737	3.9
165.06999	7.4
166.07782	2.9
167.07060	5.3
167.08591	5.1
169.06448	4.1
174.57541	1.6
175.07411	2.0
178.07776	3.7
179.08537	4.5
181.04961	22.4
181.06509	9.9
182.07249	3.5
183.08060	3.5
184.05074	2.2
191.03421	1.8
191.08533	3.5
193.10065	2.6
194.07277	4.0
195.08055	14.6
196.08763	2.6
197.05965	6.7
197.09604	3.1
199.07552	3.2
202.07704	1.9
203.08513	1.7
205.06535	1.7
205.46085	1.6
206.07372	4.2
207.08105	6.1
208.04968	2.0
208.08807	3.8
209.06058	3.8
209.09583	3.9
210.06783	10.4
210.10376	2.2
211.07585	7.4
211.11095	2.3
212.08308	7.2
219.07941	1.9
220.08765	2.8
221.05933	2.6
221.09587	12.6
222.06747	3.3
222.10374	4.5
223.07556	16.6
223.11169	3.7
224.08325	5.1
225.05556	2.6
225.09178	10.7
226.06204	2.5
227.07095	8.7
227.10690	4.1
234.06778	2.6
235.07620	4.3
237.05426	3.3
237.09157	12.1
238.06252	6.3
238.09846	14.5
239.06995	11.5
239.10603	4.1
240.07814	29.6
241.08572	6.3
248.08453	3.5
249.09163	10.2
250.09885	2.2
251.07022	11.6
252.07797	11.5
253.08620	50.8
253.12238	17.6
254.09386	7.3
255.06522	6.8
255.10161	13.1
257.07956	9.3
265.08521	8.1
266.09369	11.3
267.06677	3.4
267.10168	8.9
268.07370	10.4
269.08136	21.3
269.11230	2.9
270.08887	4.4
271.13428	2.2
277.08472	2.4
281.08136	12.9
281.11731	17.0
282.08841	3.6
282.12204	2.4
283.06146	4.9
283.09674	23.9
284.10468	8.3
285.07736	3.7
285.11154	3.6
285.14487	2.3
295.09641	5.1
297.07556	7.7
297.10849	2.4
298.08337	9.6
298.12018	5.9
299.12769	16.2
300.09900	22.2
309.11246	14.1
310.11871	4.6
311.09003	3.8
313.10703	90.3
313.14371	56.3
314.11148	2.2
326.11502	6.8
327.12277	88.2
328.13025	5.0
331.15320	26.3
341.13861	53.0
352.31100	2.1
359.14893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02333	4.1
51.02358	4.1
53.03939	5.4
55.01868	8.0
55.05515	27.6
56.05864	4.1
57.03434	4.7
65.03958	4.6
67.05502	55.7
69.06729	7.0
69.07070	100.0
71.01345	6.0
79.05498	41.0
81.03394	19.1
81.07051	48.7
83.04967	15.5
83.08610	15.7
91.05494	36.4
93.07043	45.8
95.04964	20.9
95.08612	27.7
97.06521	21.8
97.10164	9.1
98.21561	6.3
105.07042	30.1
107.04962	5.5
107.08596	23.3
109.06487	7.2
109.10149	18.3
116.25925	3.9
117.07027	6.7
119.08569	19.3
121.10128	14.1
123.08067	12.9
123.11738	4.9
125.09586	6.7
130.79601	4.3
131.08546	10.2
133.10147	21.0
135.07991	7.0
135.11696	7.9
137.09610	7.3
143.08424	7.1
145.10052	10.0
147.11641	13.4
149.09616	10.9
159.11699	12.5
171.11688	7.0
173.13260	6.5
175.11134	6.5
187.09477	4.0
194.13112	4.7
229.19603	5.1
257.18976	4.6
275.19992	36.7
289.21625	10.4
358.35977	38.8
365.67276	4.3
381.61353	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	358.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15525	9.1
55.05519	53.4
57.07063	21.8
67.05502	76.2
68.38175	11.2
69.07073	61.7
69.85547	35.8
70.06593	17.9
79.05499	70.1
81.03419	32.8
81.07063	100.0
82.07379	14.2
83.08592	30.5
87.04446	15.8
87.23075	12.1
88.07610	17.8
91.05469	53.9
93.07063	60.6
95.04966	16.0
95.08585	47.1
97.06568	15.1
105.07013	34.9
107.08566	30.8
109.10180	12.8
119.08566	29.0
121.10148	19.5
131.08611	17.5
133.10132	22.4
135.11714	33.3
146.52245	10.2
147.11649	13.3
157.10239	11.9
173.07436	11.3
248.24582	13.1
266.25665	23.0
358.36377	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.15
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22979	4.0
56.96552	16.8
68.42022	4.4
69.03426	12.7
70.06586	15.9
70.58722	12.7
70.94271	4.8
72.08160	4.5
84.08115	9.3
84.96026	4.3
85.02930	22.1
86.09685	5.3
87.28699	4.5
88.03959	4.4
91.05482	10.2
93.07066	10.7
97.02895	9.9
98.97610	29.9
99.04493	5.0
109.02850	4.2
110.07188	7.0
110.97559	10.1
112.99133	5.4
116.98617	10.2
121.06503	100.0
124.07584	5.9
127.03919	5.7
131.00079	6.2
138.05521	26.1
138.09151	17.0
139.03915	7.2
151.89677	4.6
153.01833	34.2
164.50743	5.1
167.03415	9.4
171.15590	4.7
178.08652	9.0
196.08162	6.7
196.09747	22.6
196.13356	33.2
214.03844	6.2
216.07114	4.5
219.01804	12.4
232.04878	9.7
237.02791	10.2
268.87509	5.0
340.13828	8.1
345.67386	5.1
347.52094	4.9
358.07822	21.0
358.14954	15.9
358.18622	11.9
376.09012	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	358.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.2
53.03934	2.5
55.05489	1.0
57.03422	1.0
60.79295	0.5
64.69138	0.6
64.71011	0.6
69.03429	11.3
70.06592	1.3
70.76865	0.7
70.77180	1.0
71.04985	1.1
72.08163	0.6
73.06540	1.6
78.03036	1.1
78.03458	16.3
80.05013	2.4
81.03423	15.6
81.07047	0.6
85.02905	13.8
86.09669	0.7
91.05474	0.7
95.04968	0.6
96.04489	4.1
97.02908	6.2
99.04456	3.0
105.06995	0.6
106.02917	63.7
109.02231	0.9
109.02890	10.0
110.05392	0.6
110.06034	3.4
121.02924	2.8
121.03606	0.6
121.06482	0.7
124.03955	100.0
125.04316	0.7
127.03915	8.1
138.05515	4.8
145.04964	0.7
153.01839	1.3
154.05016	1.5
166.05013	2.1
186.79233	0.6
194.07359	0.6
196.05977	0.8
197.11690	0.7
232.06056	6.5
250.07109	18.1
254.95906	0.6
264.08624	1.2
268.08160	29.4
269.08594	0.6
292.66599	0.7
358.15289	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05272	4.2
55.05517	59.4
57.03433	14.5
57.07077	36.0
60.81682	3.8
67.05511	70.2
69.07072	91.3
70.06594	14.1
71.04997	4.0
71.08639	24.3
79.05495	36.2
81.07063	83.2
82.18399	3.8
82.69414	4.8
83.08627	62.5
85.06569	5.5
85.10175	11.2
88.07628	14.8
91.05501	7.8
93.07048	68.4
95.08616	75.4
95.09178	3.3
97.06529	26.0
97.10173	39.1
98.21143	28.1
100.23795	3.8
102.09176	5.8
103.03976	6.2
105.07080	4.2
106.08672	5.0
107.08597	44.3
109.10165	37.6
111.08100	10.6
111.11713	13.4
121.10161	82.4
123.11726	11.7
125.09611	7.2
125.13267	6.8
135.11696	60.1
137.13327	6.4
146.29459	4.0
149.13246	24.9
151.14842	8.0
163.14819	16.7
165.16380	10.6
167.14297	5.2
175.23479	4.8
191.78262	3.8
229.21396	5.3
247.24260	62.9
265.25284	48.6
274.33838	4.0
290.44925	3.8
339.29044	42.5
339.34531	7.1
343.41995	4.6
357.30560	7.6
357.35541	100.0
358.36685	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	357.3
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03942	4.8
53.50374	3.4
55.01861	5.5
55.05515	78.5
57.03437	14.5
57.07078	52.7
67.05509	87.2
69.07072	99.8
69.85686	17.9
70.06593	8.1
70.07397	3.6
71.04992	3.3
71.08636	29.5
75.04485	3.4
79.05501	54.4
81.07062	100.0
81.22571	4.0
83.04996	4.8
83.08628	75.3
85.06522	3.9
85.10185	15.3
88.07636	13.7
91.05473	10.1
91.92436	3.3
93.06486	6.9
93.07045	72.6
95.08614	81.5
97.06544	36.1
97.10182	44.8
99.28471	3.5
106.08666	4.3
107.08592	47.5
109.10167	50.5
111.08068	16.6
111.11719	16.0
121.10146	94.0
123.11724	14.5
125.09633	7.3
125.13237	4.0
129.09247	4.0
135.11703	76.1
137.13185	5.6
139.11171	7.8
149.13255	29.9
151.14841	7.9
153.12794	5.1
163.14830	15.7
164.24843	4.1
165.16336	8.7
177.16432	9.2
191.17952	7.9
209.18880	5.5
247.24222	86.2
265.25262	65.9
282.59924	3.6
339.28928	40.2
357.30695	7.5
357.35553	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.6
55.05515	20.6
57.07062	11.5
67.05514	33.6
69.03426	19.9
69.07069	46.2
69.44521	32.4
70.06577	4.6
71.04993	5.3
74.54781	3.8
79.05071	4.0
79.05485	25.0
81.03414	4.1
81.07060	91.5
81.93928	4.2
83.04954	5.6
83.08612	10.5
84.08127	7.6
85.02892	4.6
85.06538	17.0
85.09325	3.9
91.05479	29.6
93.07053	48.8
95.04968	10.2
95.08613	100.0
96.58241	4.3
97.06522	18.0
97.10206	6.2
99.08115	7.0
100.11210	6.2
105.07040	31.5
107.05008	3.7
107.08595	42.5
109.06499	10.1
109.10164	40.7
111.08082	24.9
113.05917	3.6
119.08542	22.5
121.10149	45.5
123.08075	21.9
123.11710	75.8
125.09643	19.4
131.08549	4.3
133.10127	21.4
135.11693	27.0
137.05995	41.3
137.09621	23.8
137.13249	13.1
139.03960	6.7
139.07549	22.3
139.11137	7.9
145.10121	12.4
147.11679	17.4
149.09608	7.6
149.13237	11.8
151.03880	8.9
151.11220	19.1
153.01767	4.7
153.12738	6.2
155.10666	13.4
155.14279	7.7
157.06281	4.5
159.11699	5.7
161.09743	5.5
161.13266	14.8
163.11157	5.0
165.09160	21.0
165.12766	11.1
167.07011	5.4
167.10686	53.1
167.11969	7.5
169.12251	5.2
173.13271	5.3
182.19640	4.4
183.10162	8.8
185.11690	7.2
187.14789	5.2
189.05536	6.2
191.17986	4.5
197.11734	4.5
201.11218	6.6
204.06516	6.5
211.14713	4.7
226.10704	9.7
233.15213	5.1
233.57487	4.1
235.16956	5.1
291.23199	10.9
303.23209	17.5
321.24075	17.5
327.12247	5.9
357.13763	16.7
357.18887	7.7
357.22992	6.3
370.41403	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78514	3.6
55.01884	5.3
55.05272	4.8
55.05516	62.0
55.21185	3.4
57.03434	13.2
57.07079	44.3
63.43687	3.1
64.80836	2.8
67.05509	70.9
67.49587	3.3
68.76286	3.3
69.07078	95.2
69.07459	4.5
69.70264	20.7
70.06577	8.3
71.05003	3.9
71.08636	29.4
75.04470	4.8
79.05498	54.8
81.07067	81.3
83.04995	5.1
83.08625	63.7
85.06543	4.6
85.10174	15.3
88.07639	12.8
91.05499	6.9
93.07050	53.6
95.08621	71.3
97.06530	29.1
97.10175	42.1
98.20746	4.9
103.03973	6.4
106.08688	6.3
107.08606	50.0
109.10159	44.9
111.08086	12.9
111.11732	12.0
115.07560	3.9
121.10149	85.5
123.11733	14.4
125.09609	7.4
135.11708	70.6
137.13213	8.2
139.11194	9.5
142.12032	3.4
143.14304	3.9
149.13313	25.6
153.12834	8.4
161.77937	4.4
163.14847	13.4
165.16452	7.3
167.14314	5.2
177.16409	10.4
185.65709	3.3
191.18005	6.0
224.12595	3.8
247.24228	68.1
247.26563	6.5
265.25296	48.1
277.67468	3.7
280.31180	3.7
283.26407	8.0
339.28955	44.4
339.34320	5.1
357.26056	9.4
357.30377	9.7
357.35580	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2023
Annotation	Thiocyanatin A
Peak:m/z	Relative Intensity
52.38486	0.8
55.01868	1.3
55.05497	3.5
56.05037	5.4
57.07067	1.3
67.05507	9.0
69.03423	2.2
69.07076	5.5
69.37969	5.7
70.06618	1.2
71.04998	2.0
79.05492	5.7
79.20090	0.8
81.06591	1.2
81.07063	27.5
83.04971	2.2
83.06107	29.9
83.08617	1.9
84.04510	100.0
84.08191	0.8
85.02895	2.4
85.06543	4.8
91.05485	7.2
93.07043	7.3
95.04937	2.1
95.08611	6.8
97.06524	2.2
97.10149	1.6
99.04444	0.8
99.08044	0.9
101.07151	12.2
102.05543	12.8
105.07032	13.5
107.08608	6.5
109.06502	2.7
109.10156	3.4
111.08083	1.3
119.08591	11.0
121.06497	1.4
121.10147	8.3
123.08070	1.1
123.11717	8.9
125.09656	1.9
129.05634	1.8
129.06609	43.2
130.05011	77.2
133.10136	1.5
135.11658	1.7
136.41275	0.8
137.05989	4.4
137.13235	1.2
140.17937	0.8
145.10132	0.9
147.07661	30.8
147.11699	24.6
151.03883	1.8
153.01817	1.3
157.10057	0.7
161.06027	1.0
163.30746	0.9
164.14438	1.9
165.12776	14.7
167.10612	1.2
175.07581	1.0
175.11116	1.0
179.03374	2.4
182.15417	8.4
183.13828	1.7
193.12248	2.1
210.14899	19.1
228.16011	10.5
229.14383	4.5
276.15903	2.3
276.38400	0.8
291.16556	0.9
293.18503	3.9
294.17023	6.0
297.07697	1.0
303.17166	1.0
303.23206	1.1
312.17929	1.3
321.18097	12.4
321.24030	1.8
328.60657	0.9
339.08701	1.4
339.19070	2.6
339.25183	1.4
340.17395	1.7
357.09677	2.2
357.13693	1.5
357.19061	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	357.1335
Annotation	Jamesoniellide F
Peak:m/z	Relative Intensity
53.03930	1.6
55.01868	1.8
55.05504	2.7
56.96581	0.9
61.16552	0.9
65.03928	1.4
67.05504	2.5
69.03418	1.5
69.07051	2.7
79.05495	3.2
81.07084	5.8
83.04996	1.6
85.06561	1.1
91.05484	7.2
93.07043	10.3
95.04962	3.0
95.08605	4.2
103.05486	2.3
105.07029	4.5
107.04952	5.2
107.08601	4.4
109.06502	1.4
109.10130	5.0
110.07220	1.0
111.04437	2.6
117.06994	1.3
119.08604	2.5
120.05692	1.8
121.02891	1.0
121.05670	1.7
121.06516	29.4
121.10165	3.3
123.04426	2.1
123.11717	1.3
128.06192	0.9
131.04916	1.9
131.08569	1.7
133.06583	1.0
133.10141	2.0
135.04453	1.9
135.11621	1.1
137.06003	4.8
137.09630	1.2
139.03918	40.6
145.10118	2.3
147.04420	1.9
147.11723	2.3
149.02351	1.9
149.05992	72.6
151.03865	1.9
151.07562	2.5
151.11180	1.2
153.01904	1.4
159.04329	1.3
160.05211	3.1
161.05956	3.1
161.09654	1.4
163.03876	2.5
163.11186	1.0
165.09119	1.6
167.03314	1.3
175.07553	3.7
176.04688	1.2
177.05486	24.9
189.05493	1.9
189.09180	1.2
190.09947	3.1
191.10620	5.8
205.08769	1.2
205.12677	0.9
219.10173	67.1
220.10582	1.2
269.08054	1.2
297.07507	1.2
303.23218	1.6
311.12253	1.4
321.24136	1.7
329.13367	1.1
339.12207	1.9
357.13358	100.0
358.13782	2.1
384.72958	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0972
Annotation	Ophiopogonanone C
Peak:m/z	Relative Intensity
50.71224	1.0
53.03926	1.3
55.01852	2.8
55.05505	4.9
67.05495	4.4
68.99790	1.0
69.03419	2.1
69.07050	4.1
69.85226	6.0
77.03937	1.1
79.01878	1.0
79.05478	3.6
81.03388	1.5
81.07063	8.8
82.06568	4.1
83.05003	1.4
83.06908	2.1
85.02902	1.4
85.06516	1.0
86.09705	1.2
89.03895	1.9
91.05488	10.9
93.03359	1.3
93.07050	5.1
95.04951	3.0
95.08620	6.3
97.06544	1.1
97.10143	3.7
99.08080	1.2
102.04700	6.0
103.05466	3.9
105.03394	4.0
105.07038	14.2
107.01292	1.7
107.08600	2.9
107.29095	1.1
109.02891	1.4
109.06516	1.8
109.10128	3.4
111.04419	1.3
111.51355	0.9
115.05444	4.2
116.27789	1.0
117.06935	1.0
118.03419	1.2
118.04153	6.7
119.04936	8.2
119.08552	2.4
121.02863	1.2
121.06464	2.1
121.10158	2.4
122.03621	1.8
123.08115	1.3
123.11721	2.5
125.09634	1.6
128.07068	3.0
129.07466	1.3
130.04181	12.2
131.04916	7.9
131.08521	1.5
133.02867	10.1
133.06520	6.2
133.10138	1.5
134.03638	7.1
135.04456	2.1
135.11722	1.0
137.05978	9.8
137.09550	1.4
139.03882	2.2
143.05972	1.5
143.08553	1.3
143.10626	2.2
146.03633	66.1
147.02649	1.3
147.04427	25.1
147.11723	1.5
149.02368	7.0
149.05988	3.4
150.03113	2.0
150.06721	2.3
151.03935	6.0
151.07527	4.2
152.91846	1.1
153.01837	2.0
153.12749	1.2
159.11710	1.4
161.02361	23.8
161.05983	79.0
162.03122	3.1
162.06776	19.1
163.03915	2.7
167.03372	1.0
177.01817	11.2
177.05434	2.9
178.02658	6.6
179.03400	100.0
189.01817	5.0
194.92056	1.0
195.08063	2.1
203.07053	1.5
205.06538	1.4
215.03397	1.3
219.08134	1.2
223.07550	1.7
224.03932	1.1
233.04457	4.0
235.07524	1.2
251.06944	2.7
277.08862	1.2
279.06503	7.7
289.04956	1.9
295.09476	1.7
297.11340	1.7
299.12677	1.2
303.23209	1.8
307.06024	67.2
308.06433	1.1
309.11389	1.2
321.24307	1.9
324.06241	1.6
325.10687	1.5
327.08585	10.7
327.12296	4.7
329.13879	2.1
339.08643	83.4
340.09039	2.7
357.09662	46.2
357.13400	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	356.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	10.6
57.07077	5.6
58.66120	2.0
67.05505	10.7
69.07072	17.3
69.31661	9.8
69.32094	8.2
70.06600	10.8
71.04997	19.8
71.08626	2.1
72.08145	8.4
73.33875	2.1
79.05482	9.6
81.07054	17.7
83.08609	6.9
88.07642	12.9
91.05479	8.5
93.07043	8.8
95.04975	3.0
95.08601	6.9
97.06548	2.6
97.10156	3.8
98.09705	3.1
102.09184	5.6
105.07019	6.3
106.08667	6.3
107.08575	5.4
108.54314	2.2
109.10144	4.3
113.09666	3.9
119.08579	5.6
119.89164	2.3
121.10117	3.5
128.38574	2.0
131.08556	3.5
133.10130	5.5
135.11699	3.0
145.10143	4.3
147.11656	4.4
149.13295	3.1
159.11705	4.7
163.11188	3.8
173.13260	3.0
177.12787	4.1
188.23087	2.1
200.24797	2.2
275.20020	6.8
289.21515	2.6
291.85776	2.2
311.29337	2.9
338.34116	5.0
356.35223	100.0
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	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
52.05745	1.7
55.01873	2.9
55.05513	35.7
57.03428	7.8
57.07067	12.4
65.03937	2.3
67.05506	74.9
69.07069	44.8
70.06564	1.9
71.08625	6.1
79.05498	27.3
81.03439	2.0
81.07057	100.0
83.04987	2.8
83.08626	31.9
85.06525	4.2
85.10178	3.3
91.05470	19.2
93.07049	33.9
93.07635	3.1
95.08607	77.1
97.06519	9.9
97.10176	19.8
99.08109	5.1
102.57537	1.7
103.03946	3.3
105.07043	16.8
107.08595	23.1
109.10167	41.2
111.08088	5.0
111.11716	6.3
113.09697	2.7
119.08576	16.1
121.10150	27.6
123.08124	2.0
123.11731	20.9
125.13297	3.3
127.11132	2.7
129.05504	2.6
133.10136	21.5
135.11697	20.8
137.09642	2.8
137.13243	11.0
141.12796	3.3
142.30379	1.8
147.11705	15.6
149.13263	14.9
151.11130	3.5
151.14827	6.8
161.13229	15.4
163.14822	11.2
165.12773	1.8
165.16438	5.4
171.11803	2.2
175.14857	9.3
177.16472	2.6
179.14323	2.5
179.17964	6.3
189.16438	6.0
203.33549	2.0
217.19592	2.2
232.65431	2.1
245.22652	48.1
263.20844	2.3
263.23721	47.1
337.27432	34.6
355.28482	10.0
355.33975	22.3
378.10284	2.0
379.50601	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94216	2.7
55.05515	31.9
57.03426	12.0
57.07078	15.7
67.05507	71.9
69.07068	44.2
71.04977	2.7
71.08613	5.4
71.51202	3.1
78.58861	2.6
79.05510	21.4
81.06586	5.5
81.07059	100.0
83.04985	4.1
83.08237	2.5
83.08632	31.8
85.06525	4.4
85.10181	6.7
91.05459	21.3
92.57301	2.7
93.07051	30.9
95.04993	2.7
95.08607	86.9
97.06509	9.1
97.10177	20.3
99.08028	4.7
105.07024	18.0
107.08589	22.2
109.10173	43.8
111.08058	6.4
111.11708	6.6
113.09613	4.4
119.08564	12.8
121.10149	33.6
123.11695	19.4
123.45583	3.2
133.10162	15.8
135.11682	14.3
137.09618	6.8
137.13246	8.1
139.07439	3.3
141.12778	2.5
147.11684	16.3
147.12659	2.6
149.13261	18.6
151.11189	2.8
151.14864	9.1
161.13301	13.6
163.14793	13.9
165.12766	3.8
165.16437	6.8
167.14265	4.1
175.14813	12.6
179.14398	4.0
179.17949	6.2
189.16327	4.5
217.19586	3.1
245.22684	49.7
263.20935	2.1
263.23706	47.6
299.25784	3.0
313.44992	3.0
337.27356	18.0
355.28278	9.3
356.35117	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	355.2844
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05271	4.0
55.05515	37.4
57.03428	10.3
57.07080	18.3
64.54693	2.3
65.29154	2.4
66.72844	2.4
67.05511	82.5
69.06738	3.0
69.07078	43.6
70.17602	2.3
71.04984	2.9
71.08611	7.1
71.50803	4.2
79.05500	30.7
81.07059	100.0
81.07533	5.9
83.04972	3.8
83.08624	33.9
91.05481	19.1
93.07059	34.3
95.08615	85.1
97.06537	8.8
97.10181	23.7
99.08110	5.5
99.83382	2.4
105.07056	13.7
107.08596	27.8
109.09459	4.5
109.10166	44.4
111.08083	5.2
111.11721	9.7
119.08590	13.8
121.10157	30.6
123.11716	20.1
125.09639	4.0
125.13255	2.4
133.10144	17.3
135.11696	12.7
137.13248	7.0
139.11143	4.0
147.11659	11.3
149.13277	13.7
151.11195	2.7
151.14848	7.3
161.13264	12.3
163.14867	16.6
165.16414	7.1
175.14825	11.4
179.17984	3.4
189.16383	5.0
195.39645	2.4
245.22658	55.0
263.23718	46.4
337.27399	32.0
355.28384	9.5
356.35263	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05515	39.8
57.03436	13.0
57.07074	15.0
67.05506	80.8
69.07073	41.1
71.04995	7.2
79.05507	26.7
81.07060	100.0
83.04976	5.6
83.08625	29.1
91.05492	19.4
93.07055	35.7
95.08604	89.0
97.06510	7.6
97.10172	24.1
98.21509	18.6
105.07046	14.4
107.08591	30.0
109.10172	44.0
111.11713	9.8
118.26402	5.9
119.08591	17.1
121.10169	31.8
122.10464	6.5
123.11723	21.4
125.09564	5.7
129.05551	8.6
133.10135	23.5
135.11690	18.7
137.13196	11.0
147.11671	9.0
149.13271	20.3
151.14833	10.3
158.49159	5.2
161.13261	14.3
163.14812	17.1
165.16388	6.3
175.14867	9.7
179.18018	7.4
189.16338	8.0
203.17847	5.4
245.22664	56.8
263.23743	53.8
337.27383	30.7
352.02872	6.1
355.28275	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52407	0.6
52.44355	0.6
53.03954	1.2
55.05521	1.2
65.03945	1.1
67.05528	1.9
70.06612	1.2
71.50414	0.9
73.04755	4.2
75.40794	0.6
75.88806	0.7
81.07054	0.7
82.06582	6.6
84.08176	0.7
86.09762	0.6
91.05829	8.1
93.07107	0.7
94.03707	0.7
97.02930	1.0
98.06085	1.7
98.97598	0.8
110.06056	20.6
117.03385	0.8
122.06027	0.9
123.04530	0.7
124.07658	0.8
126.05524	8.4
128.07101	2.5
135.04420	1.7
136.07593	61.9
137.07896	0.7
138.05476	3.3
140.07068	1.9
145.02861	0.9
152.07130	3.7
153.01892	1.7
156.06598	1.1
162.05562	1.3
163.03938	8.5
164.07086	100.0
165.05495	0.7
165.07396	1.0
166.04970	0.8
181.05034	1.0
182.08145	89.9
183.08498	1.0
193.04912	3.9
202.08672	0.8
203.11974	0.8
214.08658	1.1
230.08163	1.5
237.02768	1.0
256.09671	1.8
259.10901	1.5
268.97845	1.6
281.96176	0.8
285.01059	4.3
301.12015	1.0
302.10403	3.7
319.12885	4.6
320.11267	2.1
337.13977	2.1
355.06900	3.3
355.15039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77929	0.5
53.03968	0.7
55.05517	1.1
59.25311	0.5
65.03916	0.7
67.04258	0.9
67.05513	2.9
67.36211	0.6
70.06612	0.8
72.93796	0.9
73.04758	3.6
74.82623	0.5
81.07106	0.7
82.06582	6.2
83.04964	0.8
84.04527	0.6
84.08137	1.3
91.05842	5.1
93.07069	0.9
95.05005	0.6
96.04488	0.8
98.06073	1.7
98.20753	1.9
103.03967	0.5
108.08115	1.0
110.06049	19.5
112.76434	0.6
122.06033	2.1
123.04472	0.6
124.07600	0.8
126.05529	7.7
128.07076	2.2
136.07578	60.3
137.05971	1.1
137.07961	0.8
138.05507	3.1
139.03894	2.8
140.07094	1.1
150.05443	0.7
151.46686	0.6
152.07082	2.6
153.01831	2.6
156.06595	0.8
162.05518	0.7
162.09210	0.8
163.03920	2.0
164.07072	100.0
165.07434	1.8
166.04964	0.8
182.08133	79.7
183.08475	1.1
184.06035	0.6
186.09167	0.7
192.03955	0.7
193.04906	1.2
198.22600	0.5
208.09651	2.5
214.08661	0.7
230.08017	1.3
234.99086	0.7
245.04968	0.7
256.09674	1.2
259.10797	1.3
260.09189	0.6
268.97787	1.3
274.10587	0.8
285.00977	3.2
301.11743	1.8
302.10239	2.4
313.07303	0.9
319.12976	2.9
320.11261	1.2
337.13849	0.7
355.06696	2.2
355.09900	4.8
355.14627	2.1
355.19110	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.6
55.01863	8.7
55.05517	13.8
67.05519	18.7
69.03435	21.2
69.07065	13.1
70.42240	4.2
70.42612	5.4
71.04990	5.2
73.04760	5.9
79.05498	39.2
81.03427	7.4
81.07066	34.8
82.06594	2.6
82.70196	2.5
83.04980	14.7
83.08603	3.0
85.06558	7.5
91.05453	35.3
93.07053	42.2
95.04981	19.6
95.08624	18.4
97.02882	4.0
97.06541	10.1
97.10171	9.5
99.04467	16.8
103.05495	2.6
105.07034	97.8
107.04951	10.5
107.08601	36.9
109.02893	3.2
109.06521	22.9
109.10159	18.4
111.04447	4.5
111.08073	4.4
115.05470	4.1
117.07018	16.3
119.04926	7.0
119.08593	20.2
121.06516	36.4
121.10126	19.7
123.08087	6.4
123.11712	6.3
125.06012	10.5
125.09635	6.5
128.06227	6.1
128.07080	5.9
129.07022	7.2
130.07790	8.7
131.08557	22.1
133.06502	16.2
133.10115	15.5
135.04434	2.8
135.08055	15.0
135.11700	8.8
137.06001	13.9
137.09657	5.0
139.07549	5.4
139.11179	5.0
141.06947	4.8
143.08575	11.7
144.09348	7.6
145.06487	11.8
145.10136	69.0
146.07330	2.9
147.04350	2.8
147.08070	6.3
147.11700	10.0
149.06000	5.8
149.13295	4.4
151.07524	9.2
151.11209	4.5
151.96085	2.3
154.02063	2.5
154.07817	5.1
155.08531	9.1
157.06525	2.9
157.10190	4.1
158.07277	16.8
158.51230	2.4
159.08043	11.9
159.11685	47.7
161.09605	16.6
161.13190	3.8
163.07559	3.7
163.11211	5.8
163.85869	2.7
165.09105	2.7
165.12791	3.5
165.95233	2.7
169.10141	12.9
171.08047	6.0
172.08900	4.7
173.06082	3.8
173.09631	100.0
175.14877	3.5
177.12730	4.3
179.08513	4.4
182.07227	2.6
187.07620	2.9
187.11188	50.9
189.09120	5.8
191.10649	12.7
197.09602	12.1
201.05443	7.2
205.12241	38.1
215.10698	49.4
233.11707	32.7
251.12825	12.1
285.01047	3.8
291.51578	2.8
301.21735	4.2
305.07974	2.9
319.22717	5.9
337.10837	3.0
337.23923	4.1
355.07159	4.1
355.11694	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.6
55.01863	8.7
55.05517	13.8
67.05519	18.7
69.03435	21.2
69.07065	13.1
70.42240	4.2
70.42612	5.4
71.04990	5.2
73.04760	5.9
79.05498	39.2
81.03427	7.4
81.07066	34.8
82.06594	2.6
82.70196	2.5
83.04980	14.7
83.08603	3.0
85.06558	7.5
91.05453	35.3
93.07053	42.2
95.04981	19.6
95.08624	18.4
97.02882	4.0
97.06541	10.1
97.10171	9.5
99.04467	16.8
103.05495	2.6
105.07034	97.8
107.04951	10.5
107.08601	36.9
109.02893	3.2
109.06521	22.9
109.10159	18.4
111.04447	4.5
111.08073	4.4
115.05470	4.1
117.07018	16.3
119.04926	7.0
119.08593	20.2
121.06516	36.4
121.10126	19.7
123.08087	6.4
123.11712	6.3
125.06012	10.5
125.09635	6.5
128.06227	6.1
128.07080	5.9
129.07022	7.2
130.07790	8.7
131.08557	22.1
133.06502	16.2
133.10115	15.5
135.04434	2.8
135.08055	15.0
135.11700	8.8
137.06001	13.9
137.09657	5.0
139.07549	5.4
139.11179	5.0
141.06947	4.8
143.08575	11.7
144.09348	7.6
145.06487	11.8
145.10136	69.0
146.07330	2.9
147.04350	2.8
147.08070	6.3
147.11700	10.0
149.06000	5.8
149.13295	4.4
151.07524	9.2
151.11209	4.5
151.96085	2.3
154.02063	2.5
154.07817	5.1
155.08531	9.1
157.06525	2.9
157.10190	4.1
158.07277	16.8
158.51230	2.4
159.08043	11.9
159.11685	47.7
161.09605	16.6
161.13190	3.8
163.07559	3.7
163.11211	5.8
163.85869	2.7
165.09105	2.7
165.12791	3.5
165.95233	2.7
169.10141	12.9
171.08047	6.0
172.08900	4.7
173.06082	3.8
173.09631	100.0
175.14877	3.5
177.12730	4.3
179.08513	4.4
182.07227	2.6
187.07620	2.9
187.11188	50.9
189.09120	5.8
191.10649	12.7
197.09602	12.1
201.05443	7.2
205.12241	38.1
215.10698	49.4
233.11707	32.7
251.12825	12.1
285.01047	3.8
291.51578	2.8
301.21735	4.2
305.07974	2.9
319.22717	5.9
337.10837	3.0
337.23923	4.1
355.07159	4.1
355.11694	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1026
Annotation	ST077074
Peak:m/z	Relative Intensity
59.04995	0.4
61.79401	0.3
67.01864	0.7
68.97752	0.3
68.99801	0.6
70.67196	0.7
70.67524	0.4
73.04755	0.3
81.07032	0.4
83.06118	0.6
85.02934	0.8
89.06041	0.5
98.06035	0.4
108.23433	0.3
125.05975	0.4
147.04417	0.7
151.03889	0.6
153.01839	1.1
156.55125	0.3
169.04956	0.6
175.03993	0.3
182.66080	0.4
193.04973	100.0
194.05328	1.7
196.14452	0.6
339.43076	0.3
370.66425	0.4
371.02805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03442	1.3
57.05151	0.9
59.04991	3.1
61.02929	1.6
69.03411	2.8
70.06590	3.0
71.04996	1.2
71.51065	2.0
72.08153	1.3
73.02982	1.0
73.04742	4.6
79.05480	1.1
81.03421	1.4
82.06585	1.2
84.08129	2.3
85.02894	3.8
86.09682	1.9
87.04461	1.2
91.05861	6.4
93.07018	1.5
95.04975	1.8
95.08625	1.2
97.02885	2.5
97.06553	1.4
101.00353	1.0
102.24207	1.1
103.03963	5.5
103.05446	2.3
105.03408	2.1
105.07039	1.6
107.08613	1.0
109.02855	2.5
110.06083	1.3
111.08144	1.0
114.05476	1.3
119.04911	1.6
120.08105	1.8
121.06478	1.7
122.06027	1.1
131.04973	1.3
132.05307	1.3
137.05992	5.7
138.06375	1.1
138.47725	0.9
147.04408	2.6
149.05931	1.0
151.03879	3.5
153.01822	2.2
161.05974	4.4
164.07034	2.0
166.08629	1.0
167.03345	1.2
175.03897	1.7
177.05550	2.2
178.02686	1.5
181.54330	1.1
189.05466	19.2
191.14328	1.8
192.04140	1.9
193.04962	10.4
193.15002	2.3
195.02899	1.3
201.05399	3.4
203.07018	9.2
205.04968	100.0
206.05696	8.4
215.07133	1.0
217.04977	17.1
217.08430	1.4
219.06471	2.3
220.07941	1.0
227.07014	4.2
229.04959	3.9
230.05782	1.1
231.02914	2.2
231.06525	20.9
233.04393	1.6
235.05998	68.5
243.06538	3.3
245.08119	11.6
255.06500	5.1
257.04373	1.2
259.06021	36.7
266.08499	2.0
268.97867	1.5
271.06067	12.1
273.07574	2.0
283.06036	10.7
285.00986	4.5
289.07056	19.3
301.07138	14.8
319.08200	11.3
337.09152	6.9
337.13358	1.6
355.06595	2.0
355.10339	2.8
355.13678	2.9
355.17609	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	354.3367
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05515	7.1
55.82841	0.6
56.05014	1.2
57.05819	1.4
57.07080	12.0
58.02938	0.9
58.06603	15.4
60.04535	3.6
67.05515	5.7
69.07071	17.9
70.02956	3.0
70.06596	6.2
71.04985	1.5
71.08634	7.3
72.04510	2.5
72.08167	0.8
73.04776	1.1
73.43638	0.7
74.06100	3.0
79.05476	1.9
81.07065	12.4
82.06571	1.0
83.04981	0.8
83.08621	11.6
84.08146	5.3
85.10177	3.7
86.06073	4.3
87.06850	1.7
88.07629	0.9
89.28970	0.7
91.05795	1.3
93.07057	3.0
94.06580	1.1
95.08608	14.4
97.06545	1.3
97.10171	7.8
98.06131	0.7
98.09702	0.8
105.06991	0.9
107.08608	1.3
108.08112	1.0
109.10155	8.1
111.11747	4.3
112.07632	0.8
119.08566	0.9
121.10137	1.3
123.08073	1.4
123.11716	5.2
125.13328	1.3
125.14236	0.6
126.09188	0.7
133.10173	0.7
135.11678	0.8
137.13243	1.4
139.14749	0.6
151.14815	0.7
268.30109	1.1
284.29364	0.8
285.00906	0.8
294.31607	3.8
306.31622	2.6
307.30029	3.9
308.33160	3.6
318.31497	0.7
319.29990	0.9
324.32556	1.3
326.34134	4.4
336.32596	15.1
337.30881	1.3
354.33679	100.0
355.06973	0.8
355.34012	2.4
365.93820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3368
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
53.03957	0.5
55.05280	0.4
55.05519	4.8
56.05012	0.4
57.07071	0.4
58.06589	0.9
62.06096	0.5
65.03938	0.8
66.92091	0.3
67.05511	11.8
68.05833	0.5
68.65253	0.3
69.06731	0.5
69.07073	6.0
70.06599	13.3
71.51334	0.3
74.06087	0.6
79.05508	2.1
81.06591	0.6
81.07058	8.2
82.07387	0.5
83.08620	1.3
88.07635	17.7
93.07058	1.3
95.08613	5.1
97.10186	0.4
102.09184	4.8
103.45667	0.3
105.07017	0.4
106.08675	8.1
109.10146	1.7
118.08652	0.4
119.20607	0.3
121.10160	0.3
123.11724	0.6
131.08592	0.3
136.12073	0.3
137.13263	0.3
145.08411	0.4
166.80232	0.3
206.99408	0.3
217.22815	0.3
234.19147	0.3
244.21333	0.5
262.22540	0.9
310.31229	0.7
336.32657	5.4
354.33679	100.0
355.33969	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	354.1185
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
51.02391	0.3
52.06002	0.3
53.03942	0.4
55.01883	0.3
57.03440	0.5
57.81548	0.3
61.02927	0.4
67.05514	0.4
69.03421	1.5
70.27269	1.3
73.02892	0.7
77.03970	0.4
85.02914	2.9
87.04508	0.6
91.05490	2.5
94.06579	4.1
97.02882	0.9
104.04997	0.3
105.03410	0.4
109.02895	0.6
116.04939	0.4
117.05793	0.8
118.06548	6.3
122.06041	4.7
127.03922	0.8
134.06033	1.1
136.07568	0.4
136.71553	0.4
140.98543	0.3
145.04910	0.4
146.06023	18.5
147.06795	0.7
150.05505	1.3
162.05476	0.9
164.07083	8.1
174.05521	100.0
175.06052	1.4
176.07022	0.6
187.60263	0.4
192.06570	53.1
193.06790	0.4
234.07613	0.5
336.10611	0.8
354.11865	42.9
355.12213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.8
55.01861	7.6
55.05504	2.2
57.03420	6.1
61.02925	5.0
67.05500	2.5
69.03093	2.4
69.03433	38.6
69.07056	3.6
71.04983	4.4
71.51205	3.2
72.08147	2.2
73.02901	5.3
74.55639	1.6
79.05505	2.6
81.03429	19.8
81.07044	3.8
83.04947	2.1
85.02910	100.0
87.00832	43.2
88.38760	1.8
91.05454	4.2
93.07003	2.6
93.21576	1.8
95.08612	4.3
96.08935	2.6
97.02295	2.7
97.02896	35.7
99.04456	14.7
105.01875	68.3
107.08577	3.5
108.04472	3.3
109.02882	28.3
109.06529	2.3
109.10123	1.7
112.08409	1.9
113.27368	1.7
121.06496	2.8
121.10150	2.0
127.03918	63.2
129.01820	2.6
139.11145	1.8
145.04955	29.1
145.10178	2.2
147.02887	2.0
157.12219	2.2
159.02931	11.5
189.03947	3.4
191.14339	2.9
192.14648	5.1
231.05028	16.3
249.06006	4.6
318.21103	2.6
326.24231	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	354.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80398	1.1
56.96563	3.9
69.46849	7.9
70.06611	1.7
71.08638	17.7
73.04754	1.3
83.34094	1.3
84.04514	1.7
84.08163	1.8
85.02898	2.0
88.11275	100.0
98.21483	2.5
98.97587	3.5
116.20259	1.3
121.06499	1.6
136.06108	1.5
136.07584	1.5
139.03874	2.7
142.60043	1.2
153.01868	3.9
164.07108	1.7
182.08275	1.3
257.98416	1.3
285.01126	2.2
354.07651	1.5
355.06750	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.4
53.05000	2.9
55.05515	21.0
57.03431	3.7
57.07069	9.9
65.03939	3.0
67.05509	100.0
68.05844	27.0
69.07076	16.3
70.06589	10.8
70.07386	5.7
70.09624	10.8
71.05001	2.5
71.08624	3.4
74.06079	2.3
78.11720	2.3
79.05498	51.5
80.05840	19.3
81.07064	91.6
82.07396	35.2
83.08626	11.0
84.08956	4.1
85.06551	4.8
88.07639	21.3
91.05475	31.1
92.05819	13.9
93.07047	66.7
94.07378	29.9
95.08614	65.1
96.08950	30.9
97.06529	4.9
97.10158	4.6
98.21458	2.5
99.08105	2.8
102.09193	4.9
103.07604	3.4
105.07043	19.4
106.07346	10.3
106.08678	5.5
106.46458	2.3
107.08601	31.7
108.08935	17.1
109.06503	2.5
109.10166	25.5
110.10478	14.7
117.07005	6.9
118.07333	6.3
119.08550	14.5
120.08900	9.9
121.06470	2.6
121.10160	26.7
122.10500	23.0
123.11717	11.5
124.12060	8.6
131.08575	15.5
132.08914	13.7
133.10135	9.7
134.10390	6.0
135.11699	20.8
136.12062	13.9
137.13237	4.7
138.13602	5.3
144.08096	3.6
145.08429	3.4
145.10141	10.9
146.10487	13.5
147.11690	7.1
148.12036	9.5
149.13277	12.7
150.13605	15.4
155.62065	2.3
157.37881	2.2
159.11685	8.2
160.12022	10.4
161.13254	8.8
162.13626	8.6
163.14845	12.3
164.15202	16.8
173.13277	7.9
174.13609	13.7
175.20782	2.3
176.15208	4.0
177.16405	3.8
178.16776	5.3
187.14818	4.7
188.15196	9.3
202.16739	3.1
234.22974	8.0
240.68156	2.4
243.21143	5.1
244.21466	34.6
261.22156	18.8
262.22491	96.3
279.19250	2.2
280.23547	5.0
336.26190	8.4
336.32468	4.7
350.03519	2.7
354.19043	3.4
354.27106	7.2
354.33691	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.01133	2.0
53.03948	5.3
53.53762	2.1
54.23223	2.0
55.05517	14.2
57.03438	5.8
57.07074	5.5
63.69250	2.1
65.03959	3.6
67.05507	93.2
69.07072	15.5
69.31445	4.2
69.31838	19.8
69.35395	2.0
71.04998	2.5
71.08651	3.4
75.04456	2.3
79.05495	54.5
79.86830	2.5
80.54117	2.4
80.88122	2.1
81.07061	100.0
83.08618	8.4
85.06557	5.4
91.05481	30.6
92.05785	2.6
93.07049	65.1
93.32729	2.1
94.07360	3.2
95.04945	5.5
95.08611	74.5
97.06538	4.2
97.10136	3.2
99.08112	6.4
102.43842	2.3
105.07038	23.5
107.08601	44.7
108.08942	3.0
108.80046	2.3
109.06502	6.0
109.10162	32.1
111.08075	3.1
112.03886	2.1
113.09676	5.0
117.06998	11.9
119.08604	17.0
121.10152	35.0
123.11709	15.8
123.12476	2.4
131.08598	23.1
133.10121	12.9
135.08098	2.6
135.11702	24.9
136.12059	2.2
137.09610	3.5
137.13271	8.2
144.08084	10.6
145.10147	18.9
147.11714	12.2
149.13271	22.5
159.11731	17.0
161.13254	13.4
163.14793	17.2
173.13281	12.4
175.14908	3.4
177.16396	7.3
187.14821	11.0
201.16383	2.5
233.22629	7.9
243.21095	33.4
261.22137	72.1
279.23108	4.2
335.25827	10.3
353.18698	5.7
353.26447	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	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.84340	1.6
53.03940	4.4
55.05521	17.4
57.03431	7.9
57.07070	5.3
65.03941	2.4
67.05510	98.5
68.05827	1.8
69.07069	17.3
71.04993	1.7
71.08641	4.8
71.51281	3.4
79.05499	60.3
81.07063	100.0
82.07408	3.5
83.05005	2.1
83.08614	11.5
83.09061	2.1
85.06551	4.8
91.05492	32.8
93.07051	76.1
94.07379	2.6
95.04988	5.1
95.08616	79.2
96.08983	2.3
97.06562	3.8
97.10162	2.4
99.08108	7.1
105.07031	27.0
107.08603	48.3
109.06528	4.3
109.10167	32.8
113.09606	2.8
117.07022	11.9
117.80579	1.8
119.08591	19.3
120.08911	2.7
121.06540	4.4
121.09336	3.0
121.10156	42.3
122.10490	2.3
123.08072	1.9
123.11714	14.9
129.07010	4.6
131.08578	28.9
133.10178	10.8
135.08076	2.7
135.11711	35.5
137.13194	4.9
143.08574	3.2
144.08118	10.5
144.09106	1.7
145.10144	19.0
145.94116	1.6
147.10678	2.0
147.11685	12.8
149.12202	2.4
149.13278	22.7
151.14885	3.6
153.12703	2.1
159.11748	15.3
161.13304	10.3
163.14825	17.6
173.13301	16.6
174.05884	1.6
175.14929	2.1
177.12762	2.7
177.16362	5.2
187.14818	12.6
189.16393	2.1
191.14369	2.0
201.16432	2.4
205.15900	2.5
224.16745	1.7
233.22707	7.8
243.21126	34.2
254.92354	1.9
261.22162	79.6
279.22903	4.1
335.26105	11.4
353.18436	6.5
353.26642	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	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54066	2.6
53.03944	5.4
55.05515	21.4
57.03438	5.6
57.07066	7.9
65.03927	3.9
67.05510	93.5
67.10906	2.7
67.22087	2.8
68.05821	4.6
69.07072	18.3
71.08627	5.7
71.50511	4.7
74.33590	2.4
79.05499	55.9
80.05843	2.9
81.07063	100.0
82.07404	4.1
83.08629	12.8
85.06543	3.9
91.05489	34.8
92.05820	2.9
93.07049	72.5
95.04974	6.0
95.08616	71.5
97.06509	5.2
97.10212	4.0
99.08101	8.3
105.07037	30.5
107.08601	42.4
109.06549	4.3
109.10151	32.1
113.09572	3.4
117.07035	12.9
119.08578	21.6
121.10141	38.3
123.11744	8.0
129.91353	3.1
131.08592	25.2
133.10135	14.9
135.11707	29.5
137.13274	6.3
138.06323	3.2
144.08081	20.0
145.10155	14.9
147.11720	15.6
149.13263	26.9
149.84811	2.5
154.12253	7.5
155.12634	4.5
158.10789	2.7
159.11670	19.1
161.13281	10.9
163.11180	4.0
163.14851	14.0
170.51523	3.9
172.13318	3.7
173.13222	16.4
174.59959	3.5
175.14833	4.0
177.16377	8.3
179.14355	3.7
181.14932	3.1
187.14870	9.7
191.10675	6.3
196.13324	3.4
201.16464	3.0
233.22701	7.0
243.21065	27.2
261.22156	81.0
279.22461	3.4
335.25745	5.4
348.60464	2.7
353.18695	6.8
353.25815	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.95570	1.4
53.03923	2.3
55.05515	18.7
57.03426	6.9
57.07064	5.1
61.69865	1.5
63.65379	1.6
64.69006	1.7
65.03934	2.9
67.05506	97.1
69.07072	13.8
69.82024	8.3
71.04990	2.6
71.08624	3.1
77.03943	1.7
79.05493	41.1
81.07057	100.0
83.04963	2.1
83.08620	8.1
85.06485	2.0
91.05473	19.7
93.06490	3.6
93.07047	53.7
95.04938	3.2
95.08608	74.9
97.06510	2.3
97.10177	4.3
98.21426	2.6
99.08100	3.9
103.75567	1.4
105.07036	16.5
107.08597	37.7
109.10153	42.4
113.09668	1.5
117.07025	7.9
119.08588	14.5
121.10143	29.7
123.11709	20.7
131.08589	20.1
133.10138	14.5
135.11693	25.6
137.09581	2.7
137.13263	8.4
144.08067	4.3
145.10106	15.2
147.11659	11.4
148.26906	1.7
149.13266	21.6
151.14789	3.9
159.11693	15.0
161.13228	10.4
163.14819	12.4
169.80913	1.5
173.13278	17.1
177.16373	3.4
187.14845	9.2
189.16487	2.7
201.16388	2.5
221.92461	1.5
233.22672	2.6
237.06232	1.6
239.19243	1.9
240.62277	1.5
243.21086	24.5
261.22150	89.9
279.23108	7.6
317.24545	1.9
335.25827	11.2
353.18686	1.9
353.26767	18.1
357.29401	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	16.9
57.07076	4.7
65.83854	3.0
67.05513	92.1
69.07072	14.2
71.04992	4.1
79.05499	47.2
81.07060	92.4
83.08614	5.8
84.33754	3.0
84.47842	3.3
85.06539	3.4
86.05671	2.8
91.05491	24.4
93.07050	64.0
95.08610	77.3
96.97002	3.5
97.10203	4.4
98.20731	6.6
105.07025	22.2
107.08598	43.8
109.10165	36.6
110.38776	3.1
117.07030	12.0
119.08572	15.9
120.36332	2.7
121.10143	35.5
123.11727	17.6
127.41119	3.1
131.08577	23.6
133.10156	17.2
135.11699	29.4
137.13258	7.2
144.08139	23.1
145.10112	18.6
147.11696	12.2
149.02388	3.2
149.13309	20.5
159.11673	17.3
161.13292	10.2
163.14857	16.5
165.05968	3.0
165.10204	2.6
168.50333	2.9
173.13258	17.8
177.16374	6.7
180.52164	3.1
185.91095	2.9
187.14862	11.6
196.16035	3.0
201.16399	4.9
215.17941	4.5
233.22752	4.7
243.21075	25.9
261.22159	100.0
279.23184	3.9
335.25830	8.3
353.18729	7.1
353.26862	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03949	3.1
55.05521	14.1
57.03421	6.4
57.07066	3.5
65.03928	2.3
67.05509	91.4
69.07080	14.4
69.45589	1.9
70.02224	9.5
71.78004	1.9
71.83447	2.2
79.05074	3.5
79.05500	45.7
81.07060	100.0
83.08632	7.5
87.59551	2.7
91.05482	20.0
93.07050	50.3
93.07631	2.8
95.08617	73.0
97.06512	2.8
97.10149	2.9
98.21448	3.0
105.07039	14.3
107.08606	35.0
108.50570	2.1
109.10166	38.4
111.08097	2.3
115.05470	2.1
117.07001	10.2
119.08597	12.9
121.10152	34.0
123.11676	21.5
131.08572	23.2
133.10138	13.8
135.11708	25.3
137.13268	9.9
145.10127	17.0
147.11685	8.2
149.13280	16.0
153.12750	2.6
159.11676	14.5
161.13277	8.8
163.14792	13.8
173.13234	11.4
177.16458	3.9
187.14807	7.8
243.21088	18.9
261.22153	82.9
279.23267	4.4
317.24762	2.8
335.25760	8.8
353.26828	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.05514	13.1
57.03438	3.7
57.07064	3.5
65.03949	3.0
67.05509	89.0
69.07072	11.1
70.40802	9.2
71.04976	3.2
79.05502	44.4
81.06590	5.4
81.07064	94.0
83.08618	7.6
85.06551	3.1
91.05479	20.1
93.07050	57.8
95.04999	2.7
95.08615	71.9
97.10172	3.1
98.20846	3.0
99.08100	5.4
105.07037	16.8
107.08606	43.1
107.27736	2.3
109.10162	35.7
117.07039	13.3
119.08601	16.7
121.10148	31.3
123.11734	22.9
124.29448	2.7
131.08556	20.1
133.10144	13.0
135.11702	27.8
137.09566	2.6
137.13249	8.3
145.10107	13.8
147.11673	9.6
148.58531	2.8
149.13286	20.4
159.11700	12.2
161.13243	11.2
163.14845	11.9
165.12749	4.0
165.61989	2.2
173.13278	19.8
175.14877	3.8
177.16420	4.9
187.14799	12.5
201.16396	2.6
205.15875	2.7
243.21178	20.2
261.22171	100.0
263.39783	2.4
279.23196	3.0
335.25916	4.7
353.26968	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
55.05521	12.6
57.03439	4.4
57.07082	3.3
65.03942	4.5
67.05510	76.9
69.07073	12.0
74.92590	2.4
79.05500	46.1
81.07062	81.9
83.08598	7.6
91.05475	22.8
93.07051	53.0
95.08612	68.0
105.07034	19.7
107.08601	31.6
109.10161	35.0
117.07040	9.7
119.08601	13.2
120.81108	2.4
121.10154	34.1
123.11703	22.8
126.70116	2.5
131.08583	19.6
133.10132	14.5
135.11697	28.8
137.13255	7.6
139.77589	2.6
145.10112	19.3
147.11720	10.2
149.13248	20.9
150.82466	2.5
159.11751	16.9
161.13264	8.7
163.14809	13.3
169.27071	2.2
173.13281	17.3
177.16431	3.6
179.14346	2.3
187.14877	12.7
201.16386	3.2
220.90163	2.6
233.22617	5.1
243.21111	23.7
261.19424	5.4
261.22168	100.0
279.23196	3.4
321.97626	2.5
335.25644	3.8
353.26932	23.0
355.06665	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.269
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03947	6.3
53.74611	4.7
55.05509	17.0
55.13672	3.8
57.03423	6.2
57.07076	4.5
57.35306	3.8
65.66207	3.8
67.05185	6.8
67.05511	96.8
69.07067	18.2
71.51254	5.4
71.51616	4.9
79.05495	40.9
81.07059	100.0
83.04997	6.5
83.08603	5.0
91.05476	27.6
93.07056	55.4
95.04958	5.0
95.08611	68.3
105.07056	21.5
107.08593	34.5
109.10166	34.9
117.07039	13.8
118.43494	3.8
119.08587	14.6
121.10164	27.5
123.11683	20.7
126.19872	3.9
131.08601	24.0
133.10158	17.5
135.11719	20.3
137.13203	7.4
141.07027	4.8
143.08560	6.4
144.08109	30.7
145.10132	20.5
147.11700	14.8
149.13254	19.7
151.11394	4.0
155.08630	4.8
157.10150	7.7
159.11647	12.1
161.13283	9.1
163.14813	11.1
173.13249	12.0
187.14841	10.4
233.22597	5.2
234.88937	4.0
243.21236	18.4
261.22183	75.7
279.23230	8.4
316.72839	4.0
335.25940	7.8
353.18515	16.7
353.24161	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03922	2.8
55.05517	13.3
57.03425	7.0
57.07073	5.0
58.07096	1.8
58.43774	1.6
65.03928	3.4
67.05508	92.9
67.28233	2.1
69.07055	13.1
71.04996	3.3
71.06203	2.4
71.06547	4.4
71.34316	1.8
75.04475	1.7
79.05071	3.1
79.05497	41.7
81.07059	100.0
81.35709	1.9
83.08628	8.1
85.06516	3.9
91.05478	19.3
93.07054	47.1
95.04949	2.2
95.08611	62.7
97.06517	2.1
97.10152	3.7
99.08120	2.1
105.07047	17.2
107.08598	33.1
107.19848	1.9
109.10163	31.9
117.07002	8.8
119.08585	11.2
121.10135	23.1
123.11717	15.7
131.08582	18.9
132.28362	2.2
133.10127	9.5
135.11691	19.5
137.13275	7.0
141.60573	2.1
145.10146	13.0
147.11711	6.8
149.13245	16.7
159.11708	11.8
161.13246	6.8
163.14812	10.5
173.13280	10.7
175.14867	2.5
177.16298	2.4
187.14787	7.3
233.22736	3.2
243.21117	14.2
261.22165	58.0
279.23212	3.8
311.68430	1.8
318.87097	2.3
335.25800	8.2
353.26898	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	353.0846
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
51.03833	4.1
51.29524	3.9
56.05420	4.3
56.29252	4.1
56.46813	4.7
56.80541	4.1
70.19265	16.0
82.06584	8.8
84.08150	5.3
85.02877	4.9
97.99226	5.9
138.05486	11.9
192.00603	9.4
202.84485	4.9
227.08833	9.1
243.06563	15.1
245.05057	4.4
245.09837	8.3
261.07773	8.9
353.08514	100.0
353.13077	15.8
354.14746	5.6
372.15598	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	353.171
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45430	1.1
62.75984	1.2
67.05476	1.2
72.08159	26.7
76.78259	1.2
89.03929	3.1
89.10798	13.4
91.05482	17.6
97.02870	1.3
98.06062	1.9
105.07014	1.4
115.08733	2.5
117.03381	17.1
119.04948	33.2
130.04135	1.8
139.03903	1.4
144.08189	1.5
145.02861	42.7
145.06564	2.3
147.04414	28.2
149.05992	5.5
153.01915	1.4
157.03960	5.4
158.03612	3.1
159.04448	2.0
161.02315	7.2
161.06024	2.5
162.03133	3.2
173.05971	5.7
175.03911	91.4
176.04684	19.1
177.05467	32.0
186.03148	1.9
187.03970	3.1
191.06915	1.7
201.05476	33.9
219.06534	81.2
233.04474	6.9
236.78537	1.2
262.21448	1.4
265.07080	100.0
265.15308	2.7
266.07458	2.1
335.12555	1.7
336.10638	2.2
336.14346	16.7
348.68472	1.2
353.17078	98.5
354.17560	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	352.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.0
57.03447	5.3
61.02924	8.5
67.05505	5.2
69.03138	3.9
69.03435	39.8
69.07074	40.7
70.18449	16.9
71.04984	6.0
73.02900	7.8
79.05528	6.3
81.03429	28.0
81.07036	11.8
85.02911	100.0
85.06535	9.8
86.02971	4.0
86.09706	6.1
87.00851	39.0
88.87566	3.7
91.05481	11.9
93.07051	7.7
95.08587	5.4
97.02889	52.1
97.06525	3.9
98.20799	6.1
99.04459	10.0
103.03975	5.2
105.01878	65.3
105.07008	9.5
107.04996	4.1
109.02914	22.7
109.06487	7.6
111.08087	12.2
115.59541	4.0
119.08559	6.3
121.06558	6.8
127.03934	65.6
129.01894	5.1
131.08551	6.4
135.08055	11.2
141.36826	3.6
145.04993	38.1
147.02921	5.5
149.09581	4.1
152.98567	4.4
153.09169	11.7
155.10605	5.0
159.02931	15.4
159.07967	4.6
165.09195	4.4
177.09154	9.2
189.03951	6.2
195.10124	16.0
231.05032	15.3
249.06111	5.0
278.41983	4.9
298.58145	4.4
352.13452	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	352.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42570	0.7
56.96556	2.8
61.02931	1.0
67.05473	1.0
69.03412	2.6
69.27602	0.9
70.06599	4.0
71.04985	1.3
71.08634	17.9
71.50452	1.0
72.08143	0.9
81.03414	1.0
84.08128	3.4
85.02925	4.0
86.09692	1.8
88.11276	100.0
89.11571	1.2
91.05468	1.1
98.97575	3.6
99.67224	0.8
106.55178	0.8
109.02853	0.9
110.07175	2.0
116.07114	1.8
116.98626	1.3
117.44703	0.8
121.06510	1.0
122.06025	0.8
126.12783	3.1
137.05959	1.5
139.03894	2.2
144.13835	5.4
150.92857	0.9
153.01767	4.5
154.08606	2.1
156.07689	1.8
172.09731	1.1
190.05067	1.1
190.08727	0.9
190.10748	2.7
190.14412	11.1
237.02905	1.0
352.15677	1.2
352.19440	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53262	4.7
55.05525	35.3
57.03428	7.2
57.07082	9.5
58.60604	5.0
67.05520	43.4
69.03448	4.8
69.07079	52.5
71.05002	13.9
71.08659	6.4
71.72980	6.2
73.95986	5.3
79.05495	38.0
81.07063	75.5
83.08619	11.9
91.05495	45.8
93.07061	69.9
95.04971	24.6
95.08613	76.6
97.06523	18.9
105.07036	94.6
107.08595	49.5
109.06542	12.1
109.10157	58.7
111.08096	6.0
117.07003	16.4
119.08591	100.0
121.06474	15.0
121.10149	56.1
123.11713	16.5
128.06219	13.0
129.06981	10.5
130.07758	9.0
131.08572	40.9
133.10126	48.9
135.08058	11.6
135.11722	12.4
137.13193	8.6
142.07796	15.1
143.08643	29.5
145.10133	47.7
146.07253	7.7
147.11731	27.1
149.09631	18.1
155.08586	6.0
157.10150	29.7
159.11708	28.3
161.09679	45.3
161.13297	17.4
166.19743	5.1
169.10193	10.1
170.11049	7.1
171.11690	33.5
173.13341	8.8
175.11163	7.9
175.14830	13.9
177.16382	16.3
179.08636	5.9
183.11722	11.0
184.12372	5.2
185.13258	16.1
187.14914	7.1
189.16426	9.2
195.11604	8.0
197.13220	7.0
199.14862	12.4
201.16406	6.8
202.03101	5.8
203.17940	6.7
207.11690	6.5
209.13321	15.9
211.14804	10.0
225.16441	6.0
241.19496	6.3
255.21118	7.4
291.81024	5.1
307.18469	5.2
351.16821	6.8
351.26636	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78590	0.6
51.02382	1.1
53.03941	4.0
55.01876	3.8
55.05514	19.4
57.03440	8.9
57.07074	5.4
59.04997	0.7
65.03931	3.0
67.05507	56.1
69.03432	1.4
69.07068	20.5
69.29903	5.1
70.06529	0.6
71.05001	4.2
71.08630	1.9
75.04478	2.6
77.03921	1.4
79.05495	72.7
80.69871	0.6
81.03415	1.2
81.07059	69.3
83.04997	3.3
83.05415	0.7
83.08623	9.9
83.79682	0.5
85.06548	4.4
91.05483	65.2
93.07046	100.0
95.04977	5.6
95.08608	44.9
97.06521	5.1
97.10184	4.7
99.08086	5.7
101.06051	0.7
103.05456	1.2
105.04519	2.1
105.07034	70.3
107.04967	1.2
107.08599	59.6
108.08909	0.6
109.06545	4.3
109.10160	17.1
111.04436	1.1
111.08117	3.1
111.08796	0.7
113.09649	2.6
115.05451	1.5
115.43193	0.7
117.07018	14.6
117.07848	0.8
119.08587	62.7
121.06493	2.1
121.10146	46.1
123.08067	2.2
123.11706	4.7
125.09626	1.7
128.06216	1.4
129.05487	2.0
129.07008	11.4
130.07803	0.7
131.08572	25.4
133.10138	53.6
134.10376	0.6
135.08067	3.2
135.11694	44.8
137.05980	8.7
137.09605	2.0
137.13255	1.9
139.11176	1.2
142.07788	1.4
143.08554	11.5
144.09358	0.9
145.10129	24.0
146.23260	0.6
147.08083	1.6
147.11690	52.1
148.12111	0.7
149.09674	3.9
149.13263	29.4
151.11235	3.1
153.09175	1.1
154.13626	0.7
155.08582	0.9
156.09346	0.6
157.10132	11.4
158.10582	0.6
159.10519	0.7
159.11694	18.8
161.09641	2.5
161.13261	41.8
162.13669	0.8
163.11169	4.1
163.14813	11.1
165.12794	1.4
167.10747	0.7
169.10117	0.8
170.10834	0.9
171.11676	16.0
173.13263	12.0
175.11241	4.0
175.14830	22.4
177.12752	3.9
177.16382	1.4
179.10643	0.6
179.14294	1.2
181.12172	1.0
183.11667	1.2
185.13272	15.8
185.14882	1.2
187.14835	4.3
189.12721	4.3
189.16360	1.1
191.14333	2.1
193.12225	0.9
195.13756	1.5
199.14819	9.3
201.16412	0.9
203.14275	3.3
203.17920	1.0
205.15927	0.7
207.13765	1.3
209.13335	0.9
213.16331	5.3
215.17970	2.6
217.15939	2.3
217.19476	6.4
221.15401	0.9
231.17542	3.3
231.21065	9.4
235.17061	1.0
241.19518	39.1
249.18605	1.0
259.20581	98.6
260.20966	2.2
261.22260	0.9
277.18103	3.0
277.21606	18.6
295.18857	1.0
315.23404	0.7
333.24283	9.1
351.25339	60.9
352.25620	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01873	2.4
55.05279	1.5
55.05515	19.5
57.03442	17.7
57.07067	4.4
67.05507	53.9
69.07072	21.1
71.04997	3.0
71.08234	2.5
71.08633	55.1
79.05495	51.5
81.03410	8.8
81.07058	64.3
83.04969	11.4
83.08618	11.6
85.06524	4.3
91.05489	34.2
93.07048	66.6
95.04975	11.1
95.08613	41.9
97.06536	10.2
97.10177	3.0
98.21512	4.9
99.08095	40.5
105.04501	1.9
105.07034	26.2
107.04974	7.9
107.08601	31.9
109.06532	2.2
109.10167	14.7
111.08076	2.6
113.09632	4.0
117.07027	6.6
119.08575	22.0
121.06508	2.7
121.10148	27.5
123.08067	2.1
123.11672	2.0
123.35305	1.2
129.06947	2.6
131.08562	4.6
133.10130	17.7
135.10692	2.9
135.11688	36.2
137.09604	3.5
139.11153	1.8
141.09100	5.0
143.08516	3.4
145.10138	5.8
147.11690	10.0
149.13266	12.9
151.11191	18.8
153.12767	2.4
157.10115	2.1
159.11716	4.3
161.09760	1.6
161.13248	14.5
163.11166	9.5
163.14854	2.7
167.10649	2.8
171.11717	3.5
173.13219	2.8
175.14774	2.0
177.12784	3.7
179.14316	100.0
185.13234	2.8
185.50314	1.3
189.12769	2.7
195.13824	2.9
199.14807	3.6
213.16464	1.8
221.15364	3.1
224.61931	1.3
235.16969	5.1
241.19463	4.0
259.20575	9.1
277.21619	40.8
351.25327	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01865	2.0
55.05515	11.9
57.03424	3.7
57.07066	2.7
60.17198	1.0
62.73554	1.0
65.03942	3.2
67.05510	37.4
69.07073	16.2
70.91956	1.1
71.05008	1.4
71.08624	2.0
75.04453	1.3
77.03922	1.6
79.05499	55.9
81.07059	44.2
83.04943	1.4
83.08624	3.6
85.06549	5.0
91.04907	1.9
91.05489	56.3
93.07050	73.8
95.04957	3.8
95.08614	32.4
97.06511	1.6
97.10159	2.6
99.08094	3.9
105.04536	1.8
105.07039	63.6
106.07367	1.1
107.08604	44.9
109.06525	2.8
109.10172	12.7
113.09652	1.2
117.07025	11.8
117.07771	1.6
119.08593	54.4
121.10159	32.3
123.08067	2.3
123.11700	4.1
128.06245	1.6
129.07013	10.6
131.08569	18.5
133.09126	2.6
133.10138	47.9
135.08083	2.5
135.10703	2.2
135.11700	34.0
137.09558	1.0
139.11153	1.2
143.08553	9.8
144.09332	1.3
145.10135	21.5
147.11699	46.8
149.09639	3.1
149.13254	19.1
151.11165	2.7
157.10165	9.7
159.11696	22.6
161.13277	34.4
161.14621	1.8
163.11177	2.9
163.14836	7.6
165.12796	1.2
171.11699	15.5
173.13287	10.5
175.11255	1.4
175.14841	14.4
177.12747	2.0
185.13286	12.8
187.14841	4.4
189.12808	2.8
189.16367	2.8
191.14305	1.4
199.14857	8.0
203.14308	2.8
213.16310	6.2
217.15829	2.0
231.17513	2.7
231.21169	9.2
241.19551	31.9
259.20593	100.0
260.20874	3.0
261.22202	1.4
277.21732	3.6
333.24304	2.0
351.25330	54.0
352.25632	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09929	2.1
53.03939	5.1
55.01863	4.4
55.05514	35.5
57.03442	44.0
65.03922	3.8
67.02576	2.1
67.05509	73.1
69.07073	24.7
69.32662	20.2
71.04997	4.1
72.08134	2.4
79.05501	75.9
79.05965	4.1
81.06595	4.1
81.07059	82.5
83.08628	22.8
85.06507	5.2
91.05486	60.4
93.07047	100.0
95.04942	6.8
95.08609	64.2
97.06493	7.7
97.10145	5.3
99.08052	4.4
103.00142	2.0
105.04521	3.6
105.07034	59.2
107.08606	58.4
109.06522	5.0
109.10180	19.7
111.08078	3.9
112.93935	2.2
117.07018	13.8
119.08586	44.0
121.10140	45.2
123.08002	3.7
123.11703	7.3
125.09631	3.3
129.06979	5.6
130.07735	2.7
131.08562	23.6
133.10139	48.2
135.08078	2.5
135.11699	51.0
137.09601	4.7
139.11119	2.7
143.08524	8.2
145.10143	19.0
147.11705	46.1
149.09579	2.6
149.13266	26.8
157.10103	9.1
157.11340	2.1
159.11720	17.4
159.98396	2.4
161.13272	29.6
163.14828	7.2
165.12813	5.7
171.11702	10.2
173.13269	11.1
175.14854	11.4
177.12781	2.6
179.14378	3.0
185.13243	12.8
187.14836	14.5
189.12801	2.6
199.14835	7.7
205.15984	5.5
221.18996	4.2
231.21071	6.6
241.19554	24.9
259.20590	60.3
277.21616	23.8
333.24249	8.5
351.25269	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35672	4.8
53.03944	9.4
55.01871	9.9
55.05512	36.0
57.03443	40.6
57.07071	5.9
67.05508	87.0
69.07071	40.7
70.04062	13.5
71.04989	9.6
71.08633	27.9
71.51575	6.9
79.05497	81.7
81.07063	93.0
83.04988	6.9
83.08629	22.6
83.43866	4.0
83.57391	4.1
85.06534	5.7
91.05483	73.8
93.07052	100.0
95.04984	11.6
95.08608	65.2
97.06528	16.4
97.10151	7.1
99.08105	23.8
105.04549	5.5
105.07050	59.5
107.04948	6.6
107.08594	56.2
109.06522	10.5
109.10141	24.2
111.08087	7.4
117.07007	15.4
119.08571	57.2
121.10152	52.4
123.08061	5.8
123.11726	9.5
125.09628	7.2
129.07048	7.9
131.08575	18.8
132.51460	4.6
133.07359	4.2
133.10147	48.7
135.11684	43.9
137.05943	21.7
143.08548	11.0
145.10130	28.1
147.11710	43.9
149.13321	22.2
151.11145	8.4
157.10097	8.2
159.11668	22.9
161.13248	32.3
163.11150	9.6
163.14830	8.4
165.12823	8.6
171.11778	18.3
173.13261	9.9
175.14824	15.3
179.14308	35.5
185.13277	10.7
187.14897	5.7
231.21181	5.5
241.19508	22.7
259.20612	61.1
277.21613	25.1
292.22580	7.1
300.66974	5.0
311.92383	4.4
333.24380	5.3
351.21854	5.8
351.25385	77.6
352.25183	6.8
374.03525	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
54.97485	2.5
55.05503	12.4
55.11965	2.5
57.03431	5.0
57.07101	3.3
59.16420	2.6
60.49600	2.6
62.30751	2.9
67.05507	35.4
69.07058	11.0
71.15396	5.7
79.05070	4.8
79.05502	60.3
81.07066	49.4
83.05004	3.7
83.08615	8.8
88.53976	2.7
91.05487	48.3
93.06490	5.2
93.07052	81.7
95.08620	33.1
97.10182	3.4
99.08076	5.1
105.07055	42.8
107.08602	49.5
109.10149	12.4
113.09720	3.2
116.34991	3.1
117.07030	14.2
119.08589	45.3
121.10168	40.5
129.06952	5.0
131.08595	19.9
133.10143	40.8
135.11708	38.3
143.08600	7.1
145.10135	20.0
147.11694	50.4
149.09618	6.3
149.13306	21.9
151.11218	3.6
157.10144	8.6
159.11731	19.0
161.13246	30.2
163.14850	9.2
171.11685	12.8
173.13297	8.7
175.14835	12.7
177.12787	4.6
183.49989	3.5
185.13290	12.6
199.14873	9.3
200.81084	3.4
213.16455	4.8
231.17404	3.5
231.21132	7.6
241.19527	32.4
259.20593	100.0
277.21738	16.7
333.24219	8.0
351.25388	55.3
359.88828	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.05515	12.0
55.74388	1.8
57.03439	5.1
57.07072	3.4
65.03952	2.6
67.05506	40.3
69.07072	11.4
69.38228	14.4
71.05005	2.8
79.05498	54.5
79.50593	2.0
81.07064	44.1
83.08617	6.8
85.06528	4.1
91.05490	61.8
93.07051	64.6
95.05005	3.7
95.08615	29.6
97.06530	3.4
99.08093	4.9
105.07031	62.4
107.08611	40.1
109.10156	13.3
117.07017	15.6
119.08585	58.2
121.10152	30.5
128.06233	2.5
129.07014	7.0
129.51343	2.0
131.08588	23.0
133.10146	47.2
135.11700	34.1
137.09671	3.8
142.07811	2.5
143.08572	7.4
145.10133	24.1
147.11700	46.2
149.09665	3.0
149.13231	21.9
151.11331	2.0
157.10147	8.8
159.11685	22.4
160.79628	1.8
161.13255	38.2
163.14832	6.2
171.11678	12.2
173.13295	10.5
175.11108	2.9
175.14838	19.1
177.12801	3.6
185.13264	14.7
187.14896	2.9
189.12778	4.5
199.14854	8.5
203.14235	2.2
213.16360	6.6
231.17561	2.4
231.21066	9.2
241.19525	34.5
259.20590	100.0
262.65692	2.1
277.21759	4.7
284.85464	2.3
302.49448	2.3
333.24390	3.3
351.25290	53.3
352.25650	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.3
55.01861	3.2
55.05514	16.8
57.03432	5.9
57.07095	3.7
63.72798	2.6
67.05510	44.7
69.07059	10.5
71.11346	2.2
71.15655	5.5
71.73623	2.2
76.73607	2.2
79.05496	60.9
81.07059	48.6
83.08593	6.3
85.06547	3.1
91.05486	67.8
93.06483	4.9
93.07052	76.5
95.04958	4.9
95.08615	30.1
97.10178	2.6
99.08082	3.2
105.07036	68.5
106.07400	2.9
107.08603	41.0
109.10175	10.5
113.09615	3.3
117.07039	16.7
119.08586	55.9
121.10145	23.6
123.11703	3.9
127.85490	2.1
129.07007	12.5
131.08565	25.5
133.10135	52.1
135.11682	32.2
137.09718	2.5
143.08597	11.6
145.10132	20.9
147.11705	54.4
149.13264	21.5
152.77594	2.6
157.10138	10.7
159.11711	18.4
161.09680	3.4
161.13249	40.3
163.11162	3.1
163.14850	6.0
171.11748	17.0
173.13318	12.0
175.14827	16.5
177.12823	3.2
185.13300	15.8
187.14865	3.0
189.12949	2.9
199.14853	10.0
211.87410	2.5
213.16335	3.8
217.19507	4.4
231.21097	10.5
241.19531	34.8
259.20593	100.0
277.21692	6.6
324.01956	2.3
333.24518	3.1
351.25308	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.6
55.05507	17.0
57.02053	3.1
57.03428	6.1
57.07070	2.9
67.05508	53.3
69.07079	17.6
69.70019	18.2
71.04998	4.7
79.05074	4.6
79.05503	72.1
81.07065	54.6
83.08609	7.8
85.06565	6.4
91.04971	5.0
91.05485	51.5
93.07053	100.0
95.08620	36.4
99.08080	4.0
105.07043	54.6
107.08603	61.2
109.10172	16.1
117.07005	12.0
119.08586	58.6
121.10152	54.7
123.11720	3.9
129.05472	3.1
129.07010	10.3
131.08582	18.6
133.10130	53.0
135.06230	3.0
135.11703	40.8
143.08562	8.6
145.10141	24.4
147.11710	53.7
149.13293	25.9
157.10132	7.1
159.11673	20.0
161.09601	3.0
161.13289	39.2
163.14818	9.5
171.11739	14.9
173.13245	9.3
175.14847	17.8
185.13248	12.1
187.14859	5.2
189.12804	4.2
199.14841	10.8
213.16318	5.0
217.19608	4.1
231.21132	7.2
241.19547	44.2
259.20596	94.3
277.21573	16.6
312.47897	2.9
319.78537	3.1
333.24283	9.2
337.11292	3.1
351.25302	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
55.05520	16.5
57.03439	8.3
57.07069	3.3
57.50311	1.2
63.13096	1.3
64.46404	1.2
65.03922	3.8
67.05510	48.9
69.07068	15.5
69.40152	10.2
71.04978	2.9
75.04480	2.9
76.53672	1.6
79.05497	64.1
81.07058	58.9
83.04980	1.7
83.08614	8.0
85.06561	2.6
91.04918	2.2
91.05487	54.9
93.07046	91.8
95.04951	4.3
95.08612	39.1
97.06533	3.3
97.10170	3.0
98.21461	2.4
99.08096	5.9
103.05469	1.9
105.07038	60.0
107.08595	51.1
107.38077	1.2
109.06499	1.8
109.10162	14.1
113.09639	2.4
115.05479	1.4
117.07021	13.3
119.08585	56.2
121.10150	42.3
123.08092	1.9
123.11713	3.4
125.09654	1.4
129.06998	8.2
131.08580	22.1
133.10141	47.7
135.08046	2.8
135.10696	2.6
135.11696	44.3
137.06009	1.9
143.08575	10.0
144.06676	1.3
145.10133	20.6
147.08052	1.6
147.11694	53.4
149.09615	2.0
149.13260	26.8
157.10135	11.0
159.11707	19.2
161.09674	2.0
161.13266	41.4
163.11142	2.4
163.14835	9.7
171.11699	16.3
173.13252	10.5
175.11191	2.9
175.14824	22.8
177.12759	2.7
179.14323	1.9
185.13239	13.1
187.14807	4.3
189.12769	3.0
189.16309	2.0
191.14287	1.9
199.14810	5.9
203.14268	3.7
213.16341	5.1
215.17902	1.3
217.15903	2.0
217.19510	8.6
231.17476	4.3
231.21054	12.6
235.17004	1.3
241.19521	41.2
259.20590	100.0
260.20898	3.7
261.22031	1.7
277.21597	16.0
333.24249	9.5
347.73300	1.4
351.25320	64.6
352.25656	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.5
55.01860	6.2
55.05513	31.4
57.03154	2.6
57.03440	42.2
57.07067	6.7
58.39764	2.0
66.43523	2.1
67.05509	82.4
69.07070	27.0
69.86195	11.5
71.04984	6.2
71.08640	10.6
75.04487	2.8
79.05499	76.7
81.03417	3.2
81.07056	82.4
83.04989	6.4
83.08623	17.5
85.06528	7.4
91.04917	3.1
91.05486	59.7
93.07047	100.0
93.07636	5.2
95.04956	8.6
95.08615	65.8
97.06522	7.3
97.10155	4.9
99.08089	13.6
105.07031	56.9
107.08593	59.5
109.06503	7.4
109.10165	27.8
111.08073	6.1
113.09614	2.9
117.07006	12.6
119.08582	50.8
121.10148	43.2
123.11697	6.9
125.09676	3.1
129.07019	5.8
130.07803	2.3
131.08559	24.2
133.10138	43.5
135.08040	3.2
135.11703	34.4
137.09627	3.6
139.11243	3.4
143.08571	9.0
145.10147	22.8
147.11697	44.4
149.09549	4.0
149.13268	20.2
151.11211	6.3
153.12732	2.0
157.10127	6.6
159.11694	21.3
161.13271	31.2
163.11133	5.3
163.14807	7.0
165.12744	4.7
167.10735	2.7
171.11713	11.1
173.13284	12.4
175.11209	3.5
175.14796	13.6
177.12787	5.4
179.14391	2.9
185.13293	12.4
187.14828	9.4
189.12724	2.7
193.15753	3.3
199.14867	5.5
201.16248	2.6
213.16409	3.9
217.19588	2.3
221.18971	3.1
231.21106	7.3
239.97867	2.2
241.19525	24.2
249.21866	2.4
259.20599	68.1
274.65439	2.2
275.20258	2.3
277.21686	28.5
333.24271	7.1
351.25296	83.1
352.17221	2.4
358.44354	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	351.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.05516	52.4
56.05026	2.5
58.99591	4.8
61.18818	0.8
69.03426	1.3
69.30915	0.8
70.06586	2.9
71.50829	0.7
72.08169	1.4
76.02228	2.3
76.15669	0.7
78.37711	0.7
79.05492	1.4
80.05022	0.8
81.03451	1.3
81.07063	4.4
82.06575	1.1
83.04974	2.2
83.08625	100.0
84.04511	42.9
84.08157	1.1
84.08978	1.0
85.06528	0.9
86.99049	4.6
87.02707	0.8
88.04002	1.2
91.05475	2.0
93.06989	0.9
95.08625	1.0
101.09659	20.4
104.41647	0.8
105.00100	7.8
115.05745	0.8
117.07026	1.0
122.02724	2.8
124.02267	1.8
130.05013	6.1
135.08032	1.0
135.11647	1.1
136.07617	1.0
137.06013	1.0
142.03253	6.1
159.08383	7.0
160.11414	0.9
162.05582	1.0
164.07091	1.3
166.08691	1.0
182.08138	0.9
187.07794	2.1
188.03764	2.5
204.08588	1.8
205.08951	64.9
206.09343	1.0
206.11833	1.4
207.07594	0.8
222.11604	19.5
288.12683	2.9
292.11771	2.2
295.86127	0.8
333.10706	1.1
333.14511	2.0
334.13327	1.4
351.03296	1.2
351.11533	1.3
351.15884	11.7
356.48618	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2145
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.01869	0.9
55.05498	2.1
60.04527	1.1
67.05515	4.3
68.04612	0.7
69.03427	1.6
69.07060	2.3
70.06596	0.9
71.51373	0.8
79.05486	2.6
81.03398	0.8
81.07072	4.6
83.04993	0.7
83.08607	1.3
85.06512	0.6
86.99225	0.6
91.05466	2.7
93.07042	3.0
95.04976	1.3
95.08607	4.0
95.20186	0.6
97.06525	0.7
105.07041	3.3
107.08582	2.1
109.06511	1.3
109.10149	2.2
111.08047	0.7
119.08571	3.1
121.10146	2.2
123.11667	1.1
125.09563	1.0
131.08574	1.0
133.10115	2.4
135.08040	1.5
135.11710	1.4
137.06010	1.5
137.09659	1.1
143.08557	0.9
145.10178	2.0
147.11705	1.3
149.13293	1.1
156.64417	0.7
159.11650	0.9
161.09593	1.4
161.13245	1.2
163.11182	1.1
171.11713	1.0
247.42690	0.8
253.12762	0.7
315.19241	0.9
328.81717	1.0
333.20270	1.2
338.73376	0.8
351.21423	100.0
352.21573	1.4
368.70734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
55.05497	3.2
58.40181	1.5
65.03954	2.4
67.05503	8.4
69.03428	5.9
69.07068	7.0
69.62836	9.2
70.06577	1.8
71.05003	2.1
72.08156	4.5
79.05484	5.3
81.03420	2.6
81.07036	4.2
83.04971	2.3
84.08134	3.5
85.02919	3.2
85.06545	3.3
86.09697	2.8
87.04456	2.0
87.28986	1.7
89.03921	6.5
91.05498	4.4
93.07044	4.0
94.06571	17.8
95.04957	6.7
95.08601	3.2
97.06557	2.2
98.06039	1.7
103.05489	1.9
105.07055	3.9
106.06570	2.7
107.04963	2.3
107.08584	2.6
109.10151	3.6
112.03918	1.9
113.06004	3.6
114.09168	5.5
117.03383	26.6
119.08598	3.9
120.08164	2.9
122.05171	3.3
122.06031	36.2
123.08140	1.8
123.11708	3.1
123.36202	1.7
124.07574	3.1
125.93113	2.0
131.11829	4.1
132.08109	2.8
133.10149	3.0
134.06035	4.7
135.04398	15.9
136.07613	2.4
137.05963	2.2
137.09592	2.1
140.07072	59.0
144.08047	2.6
145.02853	59.1
148.07597	15.1
149.05995	10.7
153.01802	1.7
153.05472	2.8
154.08612	1.9
160.11255	9.6
166.08652	12.0
167.07083	5.5
173.11736	2.3
175.08679	2.4
175.10806	12.9
176.07155	2.2
177.05476	100.0
178.05867	1.8
178.12297	3.7
188.10721	15.8
189.12781	3.6
190.08789	1.9
193.04753	1.9
194.08151	19.7
199.06241	5.7
200.07069	4.4
201.07892	2.5
204.10222	4.4
206.11774	25.6
210.09166	3.8
213.07809	6.4
216.10255	5.2
217.05174	2.0
226.08640	6.3
228.10231	19.5
232.09732	19.6
238.08684	2.7
246.11305	4.3
256.09747	17.3
257.97784	1.7
274.10751	81.3
275.11014	2.7
278.99304	1.8
287.13965	5.0
288.12317	24.9
291.13358	6.2
292.11783	33.9
295.33078	1.6
306.13336	16.9
308.16171	2.7
315.10107	2.4
315.13522	3.5
319.12872	35.9
319.16266	3.1
333.14438	3.6
337.13824	7.1
351.07083	4.5
351.15121	3.3
351.18445	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	350.269
Annotation	Neovasipyridone A
Peak:m/z	Relative Intensity
53.03934	3.1
55.01856	2.7
55.05515	32.0
56.05048	4.7
56.92168	0.8
57.03432	1.7
57.07077	8.5
58.02962	6.7
58.06592	2.2
60.04511	1.5
64.58225	0.7
65.03924	2.4
67.04242	0.9
67.05508	38.0
68.05022	1.2
69.03414	0.9
69.07072	44.5
70.06599	13.0
70.67957	2.2
71.08634	40.8
72.04498	2.5
72.08138	3.2
73.06537	0.9
79.05498	33.8
80.05022	4.5
80.05807	1.2
81.03404	0.8
81.05789	2.8
81.07063	40.5
81.33903	0.7
82.06586	14.3
83.04965	2.7
83.08147	1.2
83.08619	16.4
84.04510	4.3
84.08149	20.7
85.06521	0.9
85.10169	1.8
86.06065	5.1
86.09718	4.3
88.11274	100.0
89.06055	1.2
91.05488	25.5
92.05804	1.3
93.05785	0.9
93.07050	24.9
94.06573	29.0
94.26613	0.9
95.04984	5.7
95.07352	2.0
95.08613	31.0
96.04485	0.9
96.08146	10.9
97.06532	2.5
97.10178	9.9
98.06068	0.7
98.09700	1.4
98.10386	0.8
99.08091	1.7
100.07643	1.8
105.04518	1.2
105.07026	17.8
106.06561	3.7
106.07414	0.7
107.04975	1.1
107.07346	1.1
107.08598	18.9
108.08092	4.6
108.08833	1.8
109.06506	2.5
109.08941	1.1
109.10162	14.0
110.06001	2.0
110.09698	4.9
111.08080	1.7
111.11714	2.1
112.07614	4.2
114.09164	4.5
117.07020	4.4
119.08597	12.3
120.08084	3.2
120.08899	1.2
121.06494	1.1
121.10156	9.1
122.09675	2.8
122.52190	0.9
123.08038	2.7
123.11692	5.5
124.07576	1.1
124.11243	9.4
125.09584	1.3
125.13247	1.2
129.07019	1.6
131.08571	5.0
132.08095	1.3
133.10132	7.2
134.09610	2.2
135.08138	1.1
135.11673	5.3
136.11206	2.8
137.09593	0.9
137.13213	2.0
142.12282	1.5
143.08556	1.8
145.10182	4.2
147.11690	5.5
149.09572	1.2
149.13252	2.4
152.10732	3.7
154.10797	0.7
154.12260	1.5
156.13858	6.4
157.10081	1.4
159.11690	3.0
161.13268	2.1
162.12816	2.1
163.11261	1.3
164.14340	3.5
170.15454	5.8
171.11847	2.3
173.13216	1.3
175.14821	1.1
180.13892	4.3
184.16989	7.4
187.14815	0.9
192.38757	0.8
198.18503	5.1
206.15451	1.0
210.18578	1.1
212.16451	11.8
212.19986	4.4
218.15382	0.9
220.16977	3.5
226.21658	2.3
232.17006	1.3
238.18022	1.9
238.21628	1.2
240.15912	2.1
240.19479	0.8
240.23163	1.7
245.22623	3.1
250.18105	1.3
252.19601	10.3
252.22183	1.0
252.23239	0.8
254.24760	2.2
263.23709	1.6
264.19565	1.3
268.26334	2.6
276.20413	2.2
280.18976	1.9
280.26340	1.6
282.27908	1.6
291.23001	1.1
292.22736	6.1
294.28259	0.8
303.23163	1.6
318.24100	0.9
332.25793	4.5
350.27136	43.8
350.34134	68.3
351.34531	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.4
55.05503	3.3
56.96572	6.9
57.03437	1.8
60.13880	1.3
61.02921	2.7
69.03431	8.9
70.06550	2.2
71.04955	1.9
71.50459	1.3
72.08158	1.6
73.02903	3.1
73.69888	1.5
78.46035	1.5
79.01839	5.2
79.05490	5.4
81.03439	2.8
81.07045	4.4
82.06585	6.8
84.08138	5.3
85.02907	20.2
86.06081	2.6
86.09724	1.6
87.04444	2.3
95.04962	2.0
97.02896	8.3
98.97594	17.9
99.04428	2.4
99.97905	1.9
102.05515	1.5
105.03376	2.6
107.04958	16.9
109.02856	3.2
110.07195	2.1
110.97576	4.5
111.04408	1.5
112.07630	1.5
114.00979	1.5
114.05496	2.3
116.98627	6.9
121.06475	1.9
124.11251	7.5
125.02317	2.3
125.05984	3.4
127.03902	5.5
128.07095	15.4
128.98604	2.9
129.59608	1.3
130.06523	2.2
130.08611	2.1
131.96184	2.0
135.04411	13.9
138.05548	2.3
139.03888	2.6
142.12308	7.3
143.00151	1.9
143.03412	4.8
143.39091	1.6
145.04976	3.2
153.01854	39.7
153.02904	2.8
153.05476	100.0
154.02235	2.2
155.04951	1.7
157.07643	1.8
157.97786	2.4
158.99710	5.5
161.01207	1.6
170.08197	2.1
170.11755	4.9
171.00917	3.5
171.06532	35.8
173.05975	2.2
177.00717	3.5
188.03719	3.5
188.09224	3.2
188.12831	53.3
201.05463	3.4
210.99040	2.0
219.01761	5.2
233.99242	5.2
234.99063	2.0
237.02789	5.2
238.00269	1.6
255.02757	1.6
272.05466	2.5
291.07693	2.5
304.03491	5.0
309.08585	4.1
318.05896	1.4
319.08081	1.6
321.34375	1.5
350.08801	3.1
350.13663	3.8
350.17908	15.8
351.10046	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38725	1.1
53.00306	1.2
53.26598	1.0
54.42636	1.0
55.01864	2.7
55.05502	5.0
57.03431	2.8
57.07079	93.1
59.04765	1.5
59.05008	16.9
67.05505	14.4
69.03419	1.2
69.07070	12.6
71.04990	1.1
71.08636	100.0
71.51517	1.4
71.51851	1.1
79.05506	15.2
81.07056	13.9
83.04958	1.7
83.08633	5.6
85.10187	89.8
85.69425	1.0
89.06036	25.8
91.05487	11.9
93.07048	10.9
95.04957	3.1
95.08626	8.2
97.06512	4.9
97.10159	1.9
99.11733	9.4
103.07600	2.2
105.07030	11.9
107.04935	4.0
107.08600	9.1
109.06514	2.5
109.10158	2.3
111.08038	1.7
117.07027	4.5
119.08614	6.7
121.10133	2.5
122.66250	1.2
123.08047	3.0
125.09604	2.1
131.08556	4.5
133.08612	13.3
133.10117	5.3
135.08131	1.3
135.11673	3.4
141.16414	3.2
145.10135	5.1
147.11690	3.4
149.09612	4.7
149.13393	1.2
151.09679	10.2
151.10896	1.7
159.11716	4.3
161.13237	2.2
163.11180	2.6
171.11668	1.7
175.11322	1.4
179.14253	3.0
185.13193	1.2
195.12296	1.9
199.20589	2.4
239.17891	1.5
247.20512	1.5
257.19000	4.7
275.20074	12.4
296.85727	1.1
311.75104	1.2
349.23947	9.9
349.27509	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1346
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
52.21993	0.2
53.03931	0.7
55.01875	1.2
57.03192	0.2
57.03436	2.4
58.95052	0.2
59.04977	0.3
60.04517	0.6
61.02650	0.2
61.02932	2.4
63.41462	0.2
64.22609	0.2
69.03429	8.2
69.69305	1.0
70.85192	0.2
71.01360	0.9
71.04652	0.2
71.04992	2.8
73.02917	0.9
79.05489	0.3
81.03410	1.5
87.04467	0.3
91.05479	0.9
97.02877	0.4
99.04463	2.1
100.91988	0.2
106.06587	0.2
116.04956	0.5
117.05573	0.7
118.06544	4.0
120.08132	0.3
126.45437	0.2
130.06531	0.3
132.06851	0.7
132.08089	0.8
134.33856	0.2
145.07607	16.1
146.08395	0.9
147.09171	20.7
157.07626	1.0
159.09178	9.3
159.63269	0.2
160.10001	1.4
161.10695	0.7
170.08362	0.3
173.07094	4.1
173.10695	1.1
175.08653	1.0
183.09239	0.4
184.10022	0.6
185.10730	2.8
186.11530	0.6
187.08664	1.0
187.12325	1.0
189.10248	0.9
191.08153	100.0
192.08530	1.5
197.10771	1.4
199.08580	0.9
199.12317	1.1
201.10257	0.8
211.08763	0.2
213.10228	1.8
215.11865	1.1
216.07687	8.8
217.09727	0.3
219.11250	0.3
225.10204	1.2
227.08275	0.2
227.11745	0.4
231.11279	0.8
233.09138	0.3
233.12877	0.3
243.11302	0.4
245.09232	0.4
245.12875	0.3
253.09669	0.4
259.10822	0.5
261.12473	0.2
263.13907	6.5
271.10876	0.6
289.11823	3.6
290.12091	0.3
307.12881	52.3
308.13208	0.9
332.27979	0.3
350.13467	45.2
351.13608	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03927	1.4
53.15291	0.9
55.01865	3.2
55.05271	1.0
55.05516	11.0
57.03441	7.2
57.07066	2.5
65.03918	1.4
67.05506	17.5
69.07075	19.3
71.04977	2.7
71.08609	1.2
71.51836	1.2
79.05500	22.5
81.07061	20.2
83.04973	3.5
83.08628	7.4
85.06571	2.0
89.06043	0.9
91.05485	14.3
93.07050	18.1
95.04964	3.9
95.08604	17.1
97.06535	6.2
97.10193	2.4
99.08089	1.1
101.85416	1.0
105.07039	15.7
107.04962	1.9
107.08610	17.4
109.06532	12.6
109.10161	9.0
111.08089	2.9
114.50504	1.0
117.07018	6.0
119.08582	11.7
121.06502	2.9
121.10135	6.6
123.08076	65.2
123.11701	2.4
125.09622	2.3
129.07054	1.7
131.08572	5.7
133.10132	10.0
133.74564	1.0
135.08043	5.2
135.11694	4.2
137.09569	4.9
143.08502	2.2
145.10136	8.4
147.11707	6.7
149.09668	5.2
149.13206	2.4
157.10141	1.7
159.11713	4.5
161.13303	4.0
161.78285	0.9
163.11186	3.4
165.12715	1.4
171.11714	1.4
173.13277	2.8
175.14775	1.1
177.12683	1.5
179.14272	6.5
183.11679	1.4
185.13239	3.2
187.11133	1.8
187.15082	1.1
203.14317	1.0
211.14790	1.0
229.19553	1.5
233.19102	1.5
239.17917	1.6
247.20584	1.6
257.19028	3.4
275.20093	15.8
289.25296	1.4
293.21112	18.5
307.22647	1.0
331.26389	3.0
334.20059	1.1
349.23669	12.3
349.27405	100.0
350.23962	1.1
350.27792	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	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03957	1.2
55.01876	2.0
55.05513	10.0
56.05032	1.3
57.03446	1.4
57.07090	1.3
58.31807	0.6
60.04529	1.0
63.58410	0.7
65.03978	0.9
67.05507	13.2
69.07070	15.9
70.23840	1.3
70.24232	2.0
71.05007	1.9
79.05495	12.9
80.05833	0.8
81.03436	1.5
81.07062	17.5
82.07430	1.1
83.05000	1.5
83.08630	7.1
85.06547	1.0
91.05487	12.9
91.06017	1.0
91.63682	0.7
92.05846	1.6
93.07043	11.1
94.07409	1.2
95.04985	1.6
95.08619	13.5
96.08943	1.1
97.06557	3.2
97.10197	1.3
98.21524	1.0
103.63782	0.9
105.07032	15.7
105.07687	1.1
106.07384	2.2
107.04965	1.1
107.08612	9.2
109.06525	12.3
109.07241	0.7
109.10155	4.4
111.08121	2.8
117.07056	2.9
118.58369	0.8
119.08589	11.3
120.08947	1.9
121.10161	5.3
123.08076	64.3
123.11754	1.8
125.09654	1.2
131.08557	4.6
132.08971	0.9
133.05176	0.7
133.10141	10.5
134.10526	1.4
135.08006	5.5
135.11734	3.1
137.09656	2.5
145.10168	5.7
146.10475	0.8
147.11710	6.5
148.12053	1.5
149.09666	2.8
149.13332	2.7
157.10184	2.0
159.11722	5.0
161.13336	2.8
165.12785	1.2
169.10167	0.9
171.11708	1.3
173.13397	2.6
177.12796	1.3
179.14339	14.7
215.50911	0.9
230.11697	0.8
233.19044	0.9
237.16536	0.8
239.18065	1.1
240.18446	0.8
247.20683	0.7
257.19113	2.0
262.31689	0.9
275.19931	6.3
289.21545	6.6
290.21967	5.7
293.21146	14.8
306.89786	0.7
307.24860	5.6
327.95435	0.8
331.26346	4.4
349.27487	100.0
350.27747	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	3.0
53.03959	19.7
55.01873	23.1
55.05511	31.8
57.03445	19.7
61.77540	2.8
63.26995	2.8
67.05511	88.7
69.03408	5.1
69.07074	64.5
70.96166	6.5
71.04983	6.2
79.05501	80.2
81.03419	33.0
81.07062	100.0
83.05000	16.7
83.08603	14.8
85.06544	4.7
91.05488	88.4
93.07053	69.4
93.96801	3.0
95.01343	25.3
95.04978	20.1
95.08613	58.0
97.06534	41.8
97.10149	7.2
105.04507	3.1
105.07042	99.4
107.04958	41.6
107.08608	43.6
109.06519	13.3
109.10186	19.1
111.08104	3.6
117.07024	30.2
119.08588	52.3
121.06506	11.9
121.10145	15.4
123.04431	4.6
123.08061	10.0
123.11700	6.9
125.09623	3.8
129.07031	7.5
131.08580	35.7
133.06505	3.5
133.10135	61.4
135.08063	7.3
135.11707	16.2
137.09633	5.6
141.06926	3.1
143.08589	6.0
145.06490	5.1
145.10130	28.9
147.11690	29.0
149.09636	21.4
149.13268	13.5
151.11197	3.7
157.10162	5.0
159.11714	22.2
161.13286	16.5
163.11234	8.1
169.10188	5.2
171.11714	4.5
173.13263	7.9
177.12746	7.8
179.14293	30.9
187.11163	8.2
197.13225	3.3
229.19534	7.1
239.17917	3.9
247.20569	4.6
257.18970	12.0
275.20087	69.9
349.23706	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	13.0
55.05503	15.9
57.03438	71.4
67.05502	66.0
69.07064	36.5
69.26151	18.7
69.26563	33.7
79.05495	83.4
81.03432	6.6
81.07056	85.4
83.04954	6.7
83.08605	16.8
85.06541	13.9
91.05488	77.5
93.07048	97.9
95.04970	16.7
95.08608	62.6
97.06513	14.1
105.07032	100.0
107.08607	55.3
109.06482	9.1
109.10143	21.8
111.08138	9.1
111.37397	6.2
117.07050	29.9
117.07759	7.4
119.08582	69.7
121.10148	19.4
121.40450	6.1
123.08081	14.9
128.06268	9.6
129.06985	18.2
131.08603	35.5
133.10129	39.8
135.11734	14.2
137.09590	7.6
143.08549	26.5
145.10109	32.1
147.11690	22.0
149.09644	8.2
157.10147	10.6
159.11690	30.6
161.13254	25.9
161.34129	6.2
163.11234	13.7
171.11705	7.3
173.13254	9.4
175.14859	18.1
179.14311	18.8
185.13278	46.3
203.14334	27.1
219.17474	9.4
221.15384	7.0
239.17929	11.9
257.18884	21.0
275.20053	60.7
283.76559	6.0
349.18805	8.6
349.23654	57.6
349.27502	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11415	2.4
53.03942	10.2
55.01876	17.9
55.05515	27.5
57.03439	18.0
57.07069	2.1
67.05511	55.8
69.07069	32.8
69.31397	19.8
70.17091	2.2
71.04989	4.1
71.50449	2.3
79.05499	58.9
81.03413	5.4
81.07065	100.0
83.04988	3.8
83.08629	15.2
89.49076	1.9
91.05489	47.3
93.07048	48.3
95.04977	10.7
95.08618	36.4
97.06538	25.2
103.05463	3.0
105.07037	58.6
107.04968	13.5
107.08607	27.8
109.06525	38.1
109.10166	12.9
111.08043	2.3
115.05438	3.0
116.06313	2.5
117.07034	22.7
119.08585	42.7
121.06512	4.4
121.10142	19.2
123.08079	8.4
123.11710	5.8
125.09669	3.3
129.07036	5.0
131.08575	28.7
133.10130	37.9
135.08081	4.4
135.11693	13.1
137.09633	4.4
141.06995	4.4
142.07755	3.3
143.08563	6.2
145.10150	32.2
146.46744	2.1
147.08080	2.1
147.11688	19.4
149.09645	12.2
149.13281	9.4
151.11176	4.4
155.08565	4.9
156.09317	2.4
157.10132	8.7
159.11687	19.4
161.09610	2.2
161.13306	9.1
163.11177	13.0
163.14836	2.9
169.10150	4.0
171.11691	8.1
173.13261	13.2
175.11168	3.3
175.14850	2.7
177.12721	2.4
179.14304	9.3
183.11723	5.1
187.11182	2.8
187.14838	4.9
189.12816	2.5
197.13255	3.3
205.26572	2.1
219.17638	3.1
229.19543	6.2
239.17976	7.8
247.20595	6.8
257.19022	20.9
275.20087	53.9
349.23724	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	14.4
53.60641	2.3
55.01877	26.2
55.05518	41.2
57.03441	26.0
57.07063	2.7
65.03928	4.1
67.05508	79.1
69.03442	3.5
69.07074	54.6
69.74824	12.9
71.04986	5.7
75.40103	2.8
79.05496	96.4
81.03426	27.5
81.07056	100.0
83.04980	16.5
83.08626	14.7
85.06497	3.1
91.05489	87.6
93.07048	71.7
95.01319	18.2
95.04980	17.2
95.08060	5.0
95.08611	58.7
97.06519	29.6
97.10174	10.8
99.08079	4.1
103.05460	3.7
105.04542	4.2
105.07037	97.4
107.04967	38.6
107.08598	49.3
109.06508	9.5
109.10178	18.9
111.08064	4.4
115.05460	2.8
117.07023	29.3
119.07805	4.7
119.08588	58.2
121.06496	7.0
121.10162	26.9
123.04424	4.1
123.08051	8.2
123.11732	6.6
125.09629	7.5
129.07001	6.4
131.08582	41.3
133.10143	62.1
135.08031	7.3
135.11688	19.1
137.09608	7.9
139.07529	3.0
141.07025	4.6
142.07835	2.8
143.08566	7.7
145.06453	4.0
145.10146	36.5
146.87465	2.5
147.11711	29.5
149.09615	21.8
149.13271	11.2
151.11121	3.9
155.08601	6.0
157.10144	8.1
159.11696	31.7
161.13260	12.4
163.11174	5.3
169.10220	5.7
171.11691	6.7
173.13237	12.9
177.12747	6.4
179.14285	18.9
183.11710	4.4
187.11153	3.7
191.14450	2.9
197.13237	6.0
212.03513	2.6
213.16528	4.0
229.19524	6.2
239.18044	7.9
247.20555	6.7
257.18967	29.9
275.20081	65.2
349.23779	74.3
349.27216	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93840	2.7
52.76479	2.5
53.03939	10.2
53.87786	2.7
55.01872	19.8
55.05514	46.0
57.03439	25.2
65.03941	3.8
67.04472	2.8
67.05178	4.7
67.05511	67.0
67.05877	3.2
69.03410	3.8
69.07070	45.0
69.31963	22.8
71.05003	6.2
79.05501	100.0
81.03416	6.5
81.07056	55.6
83.04983	6.9
83.08611	14.3
85.06525	3.7
85.23254	2.6
91.05482	75.9
91.06023	5.6
93.07048	64.9
95.01356	3.5
95.04965	11.7
95.08617	29.9
97.06538	25.5
97.10190	15.0
97.88999	2.8
105.07036	86.5
107.04955	34.0
107.07870	6.4
107.08599	93.4
109.06527	8.8
109.10152	16.2
111.08051	3.0
117.07032	23.8
119.08590	40.3
121.06526	6.4
121.10146	20.1
123.08090	7.3
123.11664	2.9
125.09647	20.2
129.07053	6.1
130.07799	3.3
131.08575	39.6
133.10136	45.9
135.08063	10.0
135.11658	13.2
137.09642	4.9
141.06967	5.5
143.08578	9.1
145.06488	3.9
145.09055	5.4
145.10136	76.2
145.11296	3.7
147.11703	33.5
149.09651	29.7
149.13155	3.9
151.11153	2.8
155.08594	7.7
157.10138	9.2
159.11659	24.4
161.13278	11.5
163.11205	13.7
169.10136	6.7
171.11711	14.2
173.13245	13.0
175.11320	3.0
177.12721	5.4
179.14346	6.0
183.11688	10.0
187.11218	3.9
189.11240	11.5
189.12740	3.1
197.13235	8.8
229.19514	7.6
239.17984	14.7
257.19006	50.0
275.20059	76.3
281.98349	2.7
331.22662	5.4
349.23749	77.5
374.49524	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	23.4
55.01876	25.0
55.05517	35.6
56.31619	3.1
57.03439	21.5
65.03965	5.5
67.05177	5.9
67.05511	82.8
69.03441	4.4
69.06727	6.0
69.07069	69.5
69.31072	8.1
69.31473	23.8
79.05496	74.0
81.03417	30.2
81.07058	93.1
83.04989	17.4
83.08634	19.1
85.06533	4.6
91.05488	78.1
91.06023	5.5
93.07050	70.1
95.01337	21.7
95.04951	15.7
95.08615	59.2
97.06540	30.5
97.10184	4.1
105.07039	100.0
107.04963	50.4
107.08588	33.6
109.06518	7.7
109.10138	16.3
111.04465	3.5
111.08114	7.7
116.41174	3.4
117.07026	28.1
117.83219	3.1
119.08585	54.5
121.06480	8.4
121.10135	18.2
123.04476	3.0
123.08091	12.4
123.11720	4.0
125.09745	3.9
129.07077	5.1
131.08582	40.3
133.10150	51.1
135.08081	6.6
135.11697	19.4
143.08551	6.6
145.06511	8.3
145.10129	35.9
147.11702	29.7
149.09639	14.3
149.13226	8.5
151.11157	3.8
157.10126	7.2
159.11713	25.7
161.11198	3.1
161.13268	16.0
163.11192	14.1
169.10114	4.3
171.11707	3.5
173.13405	4.9
176.35843	3.1
177.12793	11.1
179.14325	25.3
183.11740	6.1
185.47205	2.8
187.11237	8.8
197.13231	4.2
205.12166	4.0
219.17343	4.5
239.17928	3.7
247.20659	5.3
257.19006	10.4
275.20065	69.7
349.23773	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88657	1.5
53.03946	8.6
55.01672	1.6
55.01880	19.4
55.05511	22.9
57.03441	35.6
57.74248	1.6
58.12436	1.8
65.03945	3.9
65.17963	1.9
67.05508	49.2
69.07074	30.9
69.84462	2.0
70.91153	3.1
71.04993	2.7
79.05500	62.6
81.03429	3.7
81.06587	3.6
81.07061	67.5
83.04975	5.3
83.08619	13.3
85.06561	5.7
91.05489	77.2
93.06478	3.6
93.07053	57.8
95.04980	11.2
95.08615	38.2
97.06532	25.2
97.10183	5.4
99.08144	4.1
103.05437	2.7
105.04567	2.3
105.07040	80.6
107.04959	9.5
107.08595	37.2
109.06519	13.2
109.10175	13.8
111.08080	3.1
113.06036	2.3
115.05459	3.0
116.06239	1.9
117.07016	34.7
119.08589	61.7
121.06491	6.5
121.10153	17.7
123.08081	7.5
123.11706	2.7
125.09628	4.2
128.06261	4.7
129.06996	11.0
131.08577	39.6
133.06563	2.7
133.10139	42.7
135.08084	4.4
135.10786	1.7
135.11685	11.0
137.09590	3.2
139.70715	2.0
141.06940	3.4
143.08577	12.1
145.06444	3.0
145.10132	49.7
147.08034	4.4
147.11710	31.4
149.09612	17.4
149.13275	5.7
151.11150	3.0
155.08542	6.4
157.10170	14.2
159.08046	2.2
159.11711	48.3
161.09683	5.2
161.13277	15.7
163.11240	12.7
169.10153	4.2
171.11711	7.9
173.13271	22.3
175.11275	2.9
175.14856	4.9
177.12767	4.7
179.14328	3.9
183.11731	8.3
185.13252	18.1
187.11266	2.6
187.14827	3.2
189.12799	1.8
191.14207	2.6
197.13268	6.9
201.12738	2.4
201.16444	3.6
203.14374	9.3
213.16426	3.5
219.17465	16.2
221.15335	3.2
229.19487	9.9
239.17949	15.8
247.20615	2.0
257.19019	36.0
263.97800	1.7
275.20078	61.0
277.18201	1.8
293.21286	3.4
331.22629	4.1
349.23752	100.0
350.24152	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	349.2375
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
52.21410	2.2
53.03943	4.9
55.01870	11.9
55.05517	28.3
57.03191	3.3
57.03439	32.9
57.07066	2.0
61.49586	2.3
67.05508	52.1
69.07068	27.2
69.85640	12.0
71.04987	4.7
77.85788	2.1
79.05495	66.2
81.03398	3.3
81.07062	59.9
83.04987	5.0
83.08623	14.3
85.06525	6.8
91.05486	66.0
93.07052	48.9
95.04970	8.1
95.08611	32.6
97.06548	11.5
97.10195	4.9
105.04502	3.1
105.07034	86.8
107.04939	9.8
107.08603	46.0
109.06509	13.0
109.10168	13.2
110.46995	2.1
111.08103	2.7
115.05400	2.9
117.07025	36.5
119.08594	61.7
121.06511	5.2
121.10169	19.2
123.08081	4.5
123.99482	2.0
125.09647	4.1
128.06157	3.1
129.07056	13.9
130.07776	5.4
131.08582	47.5
132.30350	2.3
133.10141	43.6
135.11684	12.7
137.09621	3.2
141.07042	2.4
142.07683	2.5
143.08577	11.4
144.09399	2.6
145.10129	71.9
147.11700	32.0
148.55669	2.0
149.09639	13.3
149.13283	4.1
151.11227	2.4
155.08601	5.3
157.10143	16.9
159.11713	43.5
161.09676	3.6
161.13261	15.8
163.11176	8.2
169.10147	7.0
171.10294	2.9
171.11632	12.6
173.13264	17.6
175.11230	3.8
175.14775	5.7
177.12807	3.7
181.10072	2.1
183.11702	9.1
185.13243	15.4
194.30313	2.5
197.13272	8.5
201.16388	3.4
203.14264	6.7
211.14963	3.9
215.17894	4.7
219.17424	12.5
229.19501	7.0
239.17860	19.5
247.20580	2.6
257.19000	49.2
275.20087	48.0
309.34961	2.4
331.22696	5.6
349.23749	100.0
350.23608	3.5
355.52402	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	18.9
55.01876	19.7
55.05514	26.7
57.03442	21.8
58.96067	1.6
65.03938	5.8
67.05508	78.5
69.03442	3.4
69.07070	77.7
70.47320	7.5
71.04995	3.8
73.32585	1.7
79.05494	65.7
81.03426	40.3
81.07061	91.1
83.04993	13.7
83.08621	12.9
85.06557	2.6
89.56026	2.5
90.78926	1.9
91.05485	87.0
93.07050	66.1
95.01334	28.4
95.04970	24.5
95.08609	61.9
97.06536	33.9
97.10165	5.3
99.08113	2.6
103.05460	3.7
105.04548	2.5
105.07038	100.0
106.07403	2.1
107.04961	48.7
107.08604	35.5
109.06518	8.3
109.10174	11.8
111.08078	5.7
115.05437	3.2
117.07029	26.4
119.08594	53.5
121.06507	7.3
121.10146	9.5
123.04445	8.2
123.08066	14.9
123.11684	2.9
125.09649	3.6
128.06250	2.8
129.06990	4.6
131.08578	38.3
133.06502	3.6
133.10135	65.4
135.08075	8.3
135.11668	16.7
137.09572	5.0
139.07544	3.3
141.07027	2.9
143.08566	6.4
143.72916	2.1
145.06496	9.9
145.10139	32.5
147.11694	23.3
149.09596	16.0
149.13258	11.5
151.11223	3.2
155.08514	2.4
157.10162	4.3
159.08144	2.8
159.11697	24.2
161.09599	2.0
161.13266	10.7
163.11214	7.1
163.14763	2.1
165.09087	3.7
169.10184	5.3
171.11719	4.3
173.13263	4.4
177.12733	13.5
179.14333	30.6
183.11769	5.7
185.13127	2.4
187.11183	12.5
194.47467	2.0
195.13809	3.7
197.13338	2.6
205.12199	4.6
223.13356	2.3
229.19719	2.4
239.17960	3.6
247.20583	4.0
257.19046	8.4
275.20071	58.6
304.79205	1.8
322.29501	1.9
349.23755	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	2.8
53.03959	20.3
55.01877	17.7
55.05519	32.2
57.03443	17.6
57.07076	2.4
60.79038	2.3
60.90989	2.5
65.03945	6.6
67.05509	71.7
69.07069	74.9
71.51320	2.6
71.51784	2.5
79.05078	4.9
79.05500	73.7
81.03423	28.6
81.06591	5.0
81.07060	95.2
83.05000	15.0
83.08620	11.2
85.06535	2.9
86.68200	2.3
91.05487	71.4
93.06484	4.0
93.07053	57.2
95.01340	23.7
95.04974	21.0
95.08608	56.3
97.06532	31.0
97.10166	7.0
103.05476	2.8
105.07037	100.0
107.04974	45.8
107.08602	40.2
109.06508	10.5
109.10154	15.4
111.08074	4.2
111.11662	2.4
113.09721	2.7
115.05469	2.5
117.07034	25.2
119.08591	56.4
121.06494	9.7
121.10149	14.1
123.04388	4.3
123.08073	16.3
123.11700	4.5
125.09641	3.9
129.07022	5.0
131.08577	32.4
133.10149	58.4
135.07066	2.2
135.08075	8.6
135.11671	13.1
137.09639	5.9
139.07506	4.0
141.07001	6.1
143.08583	5.2
145.06490	7.0
145.10118	27.7
147.11693	25.4
149.09621	10.6
149.13263	9.4
151.11127	3.9
151.22134	2.3
152.93625	2.7
153.08975	2.1
157.10085	5.1
159.11725	25.0
161.09608	3.3
161.13283	9.0
163.11176	6.8
165.09108	3.7
169.10106	6.0
171.11696	5.6
173.13239	5.5
177.12732	8.2
179.14334	32.7
183.11707	3.6
187.11237	5.0
187.14844	2.9
195.13838	3.2
205.12242	3.9
219.17451	6.7
239.17909	3.0
257.19031	9.5
275.20081	63.0
293.21039	2.8
349.23740	32.3
349.27518	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	348.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01885	1.2
55.05514	14.7
56.05022	5.5
60.04527	8.5
65.03949	1.3
67.05186	1.6
67.05510	22.1
69.07079	15.4
70.61430	3.0
73.06540	1.2
79.05495	23.1
80.05020	1.0
81.03424	1.1
81.07061	44.5
82.06576	2.6
83.04966	1.4
83.08602	5.3
85.06532	3.5
86.06100	1.5
91.05487	40.0
93.07053	20.4
94.06567	9.8
95.04959	3.8
95.07355	3.1
95.08612	19.8
96.08127	1.6
97.06512	2.6
97.10173	2.7
98.21261	1.6
103.05492	1.8
105.07035	50.2
106.06544	2.8
107.04935	1.7
107.08598	11.7
108.08131	6.7
109.06528	3.7
109.10145	6.6
111.08068	2.3
117.07035	6.9
119.08587	40.9
120.08102	3.3
121.10136	7.9
122.09633	3.3
123.08041	10.8
123.11728	1.5
125.09686	0.9
129.07002	3.4
131.08577	16.3
133.10136	26.7
134.09627	2.1
135.08060	1.7
135.10600	1.1
135.11690	3.6
136.07564	3.0
136.11226	2.6
137.09625	2.7
140.10777	2.3
141.06976	2.4
143.08549	4.6
145.10136	12.4
147.11679	21.1
148.11177	1.7
149.09613	1.9
149.13258	1.2
150.12802	3.0
155.08511	2.0
157.10127	4.8
159.11690	11.1
161.09549	1.8
161.13251	5.0
162.12779	2.7
163.11201	6.2
168.09262	1.0
169.10208	1.4
171.11694	4.3
173.13295	6.9
175.11194	1.9
177.12755	5.2
179.14287	5.3
183.11725	2.8
197.13333	2.9
201.12740	1.5
203.14317	1.0
204.13873	2.3
206.15385	2.0
211.14702	1.1
212.16484	3.0
215.17996	1.3
224.16513	1.3
224.19493	1.0
226.18001	1.7
229.19490	1.7
236.16513	3.9
238.17987	1.3
239.17976	2.8
250.18002	1.3
257.19009	9.8
267.92645	1.1
274.21698	9.6
275.20026	2.8
288.23145	1.2
289.21628	63.6
290.21738	1.5
293.20993	1.0
306.24289	44.4
307.24719	1.2
316.22784	9.0
348.25363	100.0
349.27515	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	348.2749
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.03948	1.1
54.93024	0.9
55.01878	0.9
55.05518	4.3
56.05045	3.3
57.03445	1.5
60.04532	100.0
61.04855	0.8
67.05509	11.7
68.05028	1.0
69.03424	1.9
69.07070	3.9
70.02949	0.7
70.06599	2.5
71.05000	0.9
72.04527	2.9
72.08174	0.9
74.06077	2.4
74.98322	0.6
79.05492	8.4
80.05027	1.2
81.03418	1.7
81.07064	12.2
82.06590	2.2
83.04995	0.8
83.08612	1.3
84.04552	0.7
85.06551	1.2
86.06046	0.7
86.09739	0.8
90.05572	1.2
91.05488	10.7
93.07049	10.7
94.06589	2.2
95.04961	1.6
95.08615	10.2
96.08144	1.3
97.06548	1.7
97.10190	0.9
98.06059	0.9
98.09707	0.7
99.04506	0.6
100.07626	1.1
100.11267	0.7
102.05551	0.8
103.05457	0.8
105.07040	5.7
107.08603	4.0
108.08174	0.8
109.02847	0.8
109.06513	1.3
109.10165	4.6
110.03294	0.7
111.04519	0.7
111.08058	0.7
112.07636	0.7
113.09647	0.7
113.43739	0.6
116.07071	1.1
117.07045	1.9
119.08604	3.8
120.08142	1.0
120.59176	0.6
121.06518	5.8
121.10171	4.2
122.06185	0.6
123.08099	1.5
123.11684	2.1
125.09677	0.8
129.07071	0.7
131.08559	3.3
133.10185	3.7
135.11710	3.2
136.07600	0.9
137.06027	0.8
140.07161	0.7
143.08554	0.9
145.10143	2.0
147.11728	1.5
149.13252	0.9
151.11200	0.6
153.01949	1.5
157.10120	0.8
159.11694	1.4
160.07568	0.7
161.13280	1.2
164.07065	0.6
171.11774	0.7
202.08655	0.8
216.10056	0.7
222.16249	0.6
227.16635	0.8
230.08006	0.6
241.19379	0.8
244.10197	0.9
246.22214	0.7
252.23134	0.7
258.22247	0.9
270.24347	1.7
276.23224	3.2
288.08624	0.8
294.24338	5.6
306.11734	1.9
312.25323	9.7
316.08063	1.4
330.26422	34.6
348.11044	2.7
348.21255	2.3
348.27493	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28667	1.1
55.05512	1.5
55.34501	1.2
56.05051	1.4
57.07080	5.4
58.06608	2.2
60.04516	2.7
67.05514	2.0
69.07066	1.1
70.06593	1.6
71.51198	1.3
74.06071	4.0
79.05490	1.7
81.07047	2.3
88.07635	11.2
88.38109	1.1
89.07963	3.5
91.05508	3.0
93.07059	2.0
95.08588	1.7
102.09240	1.5
105.07076	1.7
105.09705	1.2
109.06515	1.3
117.07053	1.1
118.08675	1.4
119.08565	1.5
122.08184	1.6
131.08588	1.3
133.10199	1.8
135.08104	1.9
177.12784	1.3
193.04974	1.9
224.65707	1.7
285.29776	3.6
299.31412	9.5
347.21985	100.0
347.33511	46.1
348.25626	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.8
55.01865	1.7
55.05506	2.4
57.03441	1.7
67.05499	5.4
68.65427	1.5
69.03436	3.0
69.07077	1.7
69.20947	11.4
71.04990	4.5
79.05506	6.4
81.07068	21.4
83.04996	3.0
83.08591	1.5
91.05479	4.3
93.07054	19.1
95.04991	2.8
95.08603	2.1
97.06514	2.1
99.04474	6.3
105.07040	24.9
107.04939	1.5
107.08596	22.1
109.05265	1.4
109.06519	3.6
117.06991	2.2
118.96788	1.6
119.08586	8.8
121.06509	14.6
121.09336	1.9
121.10157	26.7
127.07565	2.2
135.08072	2.8
135.11720	9.0
135.12561	1.5
145.10130	27.7
147.11705	2.4
149.09616	3.4
163.11197	100.0
173.09599	3.6
181.12257	11.4
186.09146	4.4
191.10696	34.2
209.11749	80.7
227.12769	13.7
274.21570	1.9
348.14529	1.7
348.21771	2.7
348.25626	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	347.1678
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
52.70279	0.5
65.03967	0.6
67.05489	0.6
69.07067	0.8
69.52954	1.1
69.53360	2.8
79.05492	1.0
81.03412	1.0
81.07059	0.7
84.08128	0.7
88.03967	0.7
91.05470	1.0
93.07021	0.7
94.06614	0.5
98.21582	0.8
105.07020	0.9
107.08581	0.7
109.02879	1.8
109.06512	0.6
121.06511	1.3
122.05952	0.7
123.95427	0.5
124.07605	0.7
127.03924	0.7
134.06001	0.7
137.06018	0.9
185.09898	0.5
185.11525	1.7
208.09717	1.5
242.12793	0.6
277.24072	0.6
325.03201	0.7
329.10980	0.8
347.16766	100.0
348.17001	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0763
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
55.05509	0.6
56.67899	0.3
57.39059	0.3
60.04507	1.0
62.11198	0.3
63.06279	0.3
65.03954	0.7
65.25446	0.3
67.01870	0.4
67.05476	0.5
68.99787	1.3
70.55341	0.3
70.55980	0.4
70.56306	0.7
79.05486	0.7
81.03413	0.6
81.07038	0.4
85.73287	0.3
91.05466	0.3
93.03424	0.5
93.07025	0.5
95.04973	0.4
98.20815	0.3
102.52610	0.3
102.59145	0.3
102.93594	0.3
105.03389	0.9
107.04953	0.8
108.02093	0.3
109.02872	1.1
109.67496	0.3
110.03622	0.4
111.00788	1.0
121.02865	1.9
121.06599	0.4
123.04367	0.3
126.03125	0.4
129.07025	0.4
133.02835	0.6
135.04396	0.6
137.02365	2.7
137.05980	0.6
138.03090	0.3
139.02838	0.4
139.03909	6.5
147.04379	0.5
149.02301	0.4
150.03085	1.4
151.03920	0.5
153.01831	14.8
153.05466	6.3
154.06247	1.1
157.06485	0.7
162.03116	0.5
163.03865	1.1
164.51721	0.3
165.01845	4.5
165.05484	0.4
167.07108	0.4
171.04361	0.5
173.06075	0.3
177.01790	0.3
178.02618	0.4
179.03365	0.4
181.04945	2.5
183.02922	1.7
185.05875	0.7
187.03954	0.8
187.28096	0.3
188.04723	0.5
194.02065	0.4
195.02966	0.4
201.05473	0.8
202.03000	0.3
203.03391	0.6
203.07138	0.4
205.05136	0.4
207.06421	1.5
213.05449	1.4
216.04272	1.7
217.04837	0.5
219.02859	0.6
227.03276	0.4
228.04094	0.6
229.04955	4.5
230.05704	2.3
231.06526	1.4
232.03731	0.3
233.04437	1.0
241.04993	1.1
243.02861	2.1
244.03667	3.1
245.04488	1.0
247.06013	0.5
255.02888	1.3
256.03778	0.6
257.04489	3.6
258.05276	10.5
259.06021	3.9
260.03177	0.7
261.03928	1.4
269.04431	3.1
272.03177	0.8
273.03961	0.6
283.02411	1.2
284.03198	1.2
285.03976	3.9
286.01508	0.5
286.04721	9.0
287.05527	14.0
288.06073	0.4
289.03513	2.2
291.08676	2.8
297.04016	0.5
300.02676	1.0
301.03461	1.2
302.04202	0.8
303.05008	6.5
304.05621	0.6
313.03513	1.8
314.04346	2.0
315.04996	4.7
316.05826	0.7
317.02884	0.7
318.07373	1.1
331.04504	10.1
332.05228	4.1
347.07629	100.0
348.07938	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	347.0764
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
51.51087	0.3
53.03944	0.5
53.79556	0.3
55.01871	0.5
55.05511	0.5
65.03947	0.6
67.05504	0.6
68.99794	1.7
69.03460	0.3
69.07056	0.4
69.84976	1.1
69.85392	0.8
79.05508	0.6
81.03411	1.3
81.07048	1.0
83.04962	0.6
85.02909	0.4
91.05508	0.4
92.02625	0.4
93.03420	0.7
93.07007	0.5
95.04986	0.6
95.08602	0.6
105.03403	0.8
105.07032	0.7
107.04942	0.9
109.02889	2.5
109.10167	0.5
111.00795	0.8
119.04973	0.4
119.08609	0.5
121.02900	1.8
121.06502	0.6
121.10158	0.5
124.07664	0.4
127.03859	0.6
131.04922	0.4
131.08543	0.4
133.06551	0.4
135.04388	0.7
137.02386	2.1
137.05937	0.6
138.03163	0.4
139.03914	6.7
141.07025	0.4
143.08452	0.4
145.06366	0.4
147.04477	0.5
149.02390	0.4
149.05945	0.4
150.03125	1.3
151.03915	0.6
152.01030	0.4
153.01843	15.0
153.05472	6.2
154.06264	1.1
157.06404	0.6
159.11626	0.5
160.90616	0.3
162.03079	0.4
163.03926	1.1
165.01833	4.7
165.05501	0.6
167.07034	0.4
173.05954	0.4
177.05406	0.8
178.02632	0.5
179.03577	0.3
179.07086	0.6
181.04936	2.9
183.02936	1.3
185.05917	0.4
187.03940	0.6
194.02121	0.7
195.02856	0.4
199.03850	0.5
200.04715	0.4
201.05583	1.0
203.03336	0.4
205.04926	0.6
207.02937	0.6
207.06509	1.1
212.04636	0.6
213.05467	1.8
216.04259	2.3
217.05013	0.6
219.02867	0.8
227.03412	0.5
229.04976	5.1
230.05713	2.2
231.06535	1.5
232.03677	0.6
233.04529	0.9
241.04967	1.4
243.02916	2.1
244.03703	2.9
245.04477	1.0
255.02917	1.5
256.03476	0.4
257.04517	3.1
258.05246	11.0
259.06015	4.3
260.03348	0.4
261.03967	1.0
269.04431	2.5
272.03177	1.1
273.03909	0.6
283.02536	0.7
284.03149	1.2
285.03952	3.6
286.04739	9.9
287.05521	12.7
287.89560	0.4
288.05969	0.6
289.03458	1.7
291.08591	2.1
297.03992	0.8
300.02496	0.9
301.03391	1.0
302.04318	0.8
303.05002	5.9
313.03598	1.7
314.04199	2.2
315.04965	4.6
316.05829	0.7
317.02841	1.0
318.07358	0.9
329.20981	0.4
330.32260	0.4
331.04507	10.1
332.05222	3.2
347.07623	100.0
348.07907	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38217	11.3
55.05516	38.4
67.05506	100.0
69.07067	58.5
70.66821	25.3
79.05497	28.8
81.07039	69.3
83.08640	33.4
91.05483	45.6
93.07061	32.9
95.08585	28.4
97.10179	20.6
105.07047	34.8
107.08604	43.3
109.10174	76.9
111.08109	18.6
113.85899	10.2
117.07043	13.4
119.08508	19.7
121.10180	22.6
125.09570	14.1
133.10107	18.8
135.11717	18.0
137.09612	15.8
147.11696	13.8
149.13243	13.1
155.10681	27.9
164.07108	28.7
164.98833	12.8
171.11771	13.2
173.11815	90.4
173.13095	20.9
189.11261	23.7
191.39224	10.7
195.13857	36.0
213.14847	12.2
265.63773	11.2
268.76743	10.2
275.20090	55.3
293.21164	15.5
297.11655	12.6
346.23642	20.1
367.87030	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	346.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34249	0.2
52.73058	0.2
55.05523	0.4
57.07085	7.3
62.95281	0.2
69.07066	0.4
70.06597	17.4
70.10860	1.0
70.11192	0.2
71.08640	3.8
81.07059	0.5
84.08130	1.0
85.10184	1.3
86.09710	0.9
88.07638	16.8
95.08645	0.3
102.09187	1.0
105.07021	0.3
106.08672	2.0
114.09174	5.8
118.08659	1.6
130.08598	0.5
132.10217	21.7
147.36540	0.2
150.11270	16.0
157.63556	0.3
177.64076	0.2
270.27872	1.3
284.29535	1.6
302.30569	5.3
346.33188	100.0
347.33548	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0755
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
53.92816	0.2
55.05493	0.3
60.04512	0.2
60.71381	0.2
67.05476	0.3
68.99773	0.7
69.03399	0.8
69.07054	0.2
69.38167	0.3
69.38577	1.2
74.76013	0.2
76.58124	0.2
79.05476	0.4
81.03402	0.3
83.04940	0.2
91.05438	0.4
92.02605	0.4
93.03398	0.4
93.07039	0.4
94.04134	0.3
95.04957	0.4
95.08575	0.6
96.99406	0.2
105.03375	0.4
105.07037	0.3
106.04142	0.2
109.02862	0.6
109.06475	0.3
110.03667	0.2
110.06011	0.3
111.00771	0.7
111.04417	0.3
114.09134	0.3
119.08543	0.3
121.02865	1.0
121.06431	0.2
121.10085	0.4
122.05995	0.3
123.04437	0.3
123.07993	0.2
126.03139	0.3
127.03929	0.2
131.08632	0.2
133.02843	0.4
133.06403	0.2
134.03650	0.2
135.04364	0.3
137.02356	2.3
138.03107	0.4
139.02971	0.2
139.03911	3.6
140.07051	0.2
145.09947	0.2
147.04346	0.2
149.02292	0.4
150.03157	1.7
151.03876	0.7
152.01035	0.4
153.01840	10.4
153.05417	0.8
154.06261	0.3
162.03133	0.2
163.03911	0.3
165.01854	2.2
165.05479	0.9
166.02600	0.4
167.06973	0.2
171.04453	0.2
173.05963	0.3
178.02609	1.6
178.78491	0.2
179.03383	0.5
181.01189	0.2
181.04948	1.2
181.08630	0.3
183.02893	0.8
184.05287	0.3
187.03929	0.5
191.14326	0.3
192.04152	0.3
193.04968	0.7
194.02173	1.5
195.02872	0.5
200.04648	0.2
201.05457	1.1
202.02409	0.2
203.03389	0.3
205.04933	0.5
207.02965	0.2
207.06517	0.7
208.03616	0.3
209.00780	0.3
212.04582	0.3
213.05464	0.6
215.03278	0.4
216.04222	1.8
217.04906	0.5
218.02159	0.2
219.02953	0.5
220.03902	0.2
221.04446	0.3
227.03384	0.3
228.04184	0.6
229.04968	4.8
230.05740	2.8
231.06482	0.8
232.03610	0.5
233.04427	1.2
241.04958	0.5
243.02866	1.4
244.03703	3.5
245.04527	0.9
246.05237	0.3
247.02361	0.4
247.06134	0.3
255.02853	0.9
256.03659	0.2
257.04465	3.8
258.05252	15.0
259.02866	0.3
259.06000	4.0
261.03986	1.6
269.04459	1.2
272.03128	1.2
273.03934	0.5
273.07571	0.2
274.04700	0.5
275.05316	0.3
283.02335	0.5
285.03983	3.6
286.04730	10.0
287.02258	0.3
287.05490	5.1
289.03510	1.9
291.08603	1.0
297.03989	0.6
300.02618	1.0
301.03619	1.3
301.06580	0.3
302.04227	1.7
303.05020	8.6
304.05508	0.4
313.03452	2.9
314.04230	5.1
315.04974	4.4
316.05713	0.5
317.02875	1.9
318.03647	0.7
318.07013	0.3
329.03052	0.3
331.04492	23.4
332.05255	6.8
347.07620	100.0
348.08008	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65277	2.2
53.03939	4.1
54.41777	3.1
55.01863	3.7
55.05521	21.9
57.03436	3.2
57.07067	9.6
65.03935	4.1
65.53324	2.5
67.05518	26.7
68.05790	2.5
69.03404	4.4
69.06728	4.4
69.07072	52.5
69.32227	10.8
69.32661	9.0
70.02946	3.3
70.06589	2.6
71.05000	4.2
71.08608	3.2
74.02432	3.0
79.05503	16.9
81.03406	3.8
81.07062	100.0
83.05003	3.5
83.08624	21.7
85.06534	15.9
86.54404	2.8
88.03989	6.0
91.05497	19.1
92.05809	6.3
93.07054	35.6
95.04962	6.1
95.07988	3.4
95.08609	68.1
97.06516	7.3
97.10148	6.0
99.08107	6.4
105.07049	12.0
107.04946	7.2
107.08605	27.8
109.02850	3.1
109.06512	4.6
109.10162	31.0
111.08083	19.4
111.11737	13.4
119.04956	7.4
119.08604	6.3
121.10171	14.2
123.04443	3.6
123.11723	37.2
125.09645	3.9
131.08577	3.7
133.10138	5.7
135.04388	6.4
135.11667	12.5
137.06020	16.1
137.09532	2.8
137.13278	27.8
138.06328	6.1
139.03867	5.3
139.11153	3.4
147.11676	4.6
149.12106	3.5
149.13271	25.8
151.03848	5.1
151.07549	6.5
153.01871	16.8
153.12750	10.7
154.05029	5.1
155.07021	3.0
155.14316	4.7
163.03897	7.2
163.14853	7.2
165.05524	4.0
167.14346	3.9
175.07489	2.6
176.14330	5.8
177.08961	3.4
177.14708	7.8
177.16493	2.5
181.04970	7.6
191.03418	46.7
193.08554	3.2
200.20148	4.7
208.16974	3.9
209.17357	8.9
279.26849	3.4
281.15775	5.2
287.05585	4.1
291.26810	7.6
299.09250	4.7
302.17474	4.8
309.27835	11.5
313.03470	5.1
313.10693	7.1
327.12253	3.4
330.07257	3.4
345.05978	7.4
345.09744	13.5
345.13516	5.7
345.18652	4.5
345.22620	37.9
346.20242	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	346.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85508	1.4
54.03054	1.3
55.01865	2.6
55.05516	3.7
57.03435	2.4
60.04525	4.7
67.05498	2.3
68.13129	1.4
69.03427	3.0
69.07071	4.3
70.04085	17.7
70.06596	1.5
71.40453	2.4
72.08163	1.8
75.77702	1.5
77.81544	1.6
79.05508	11.1
81.03429	2.6
81.07042	9.7
83.08617	4.3
84.04502	1.8
85.02937	3.8
91.05472	8.4
93.07054	3.4
95.04990	2.9
95.08620	3.4
97.02897	3.0
97.06526	5.9
99.04469	5.7
100.11254	10.1
105.07046	12.6
107.04945	7.4
107.08614	2.6
109.06519	3.5
109.10170	2.8
111.04444	7.2
115.07571	7.4
117.07040	3.4
119.04947	1.5
119.08613	8.0
121.06504	3.8
125.06007	4.9
126.09128	1.6
128.06270	5.6
129.07031	3.6
131.08638	2.2
133.10149	12.3
137.06003	6.9
137.09663	4.3
138.06364	2.7
139.03952	2.2
143.08577	21.4
145.10178	4.8
146.07272	4.1
147.08044	15.3
151.07471	1.8
153.01846	5.9
161.09642	100.0
165.09113	7.3
168.93153	1.6
171.08051	3.2
176.07100	4.7
176.10751	5.9
179.10660	2.3
181.05022	1.6
182.15422	3.2
185.16559	1.8
189.09135	33.0
190.64957	1.7
191.03461	4.1
192.03711	2.8
205.11037	4.2
207.10194	58.3
209.16379	2.0
210.14952	1.8
223.28825	1.6
225.11270	1.7
240.07498	2.4
240.10947	1.8
242.08890	1.7
257.07712	3.1
268.10535	2.4
269.07666	1.7
270.08548	3.7
300.09537	7.7
300.12805	2.9
302.17578	17.3
310.23962	2.0
328.12622	6.7
346.10089	2.2
346.13565	7.3
346.20102	12.1
347.07907	2.0
350.59384	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2038
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
55.05516	0.9
67.05506	1.0
71.51195	0.9
71.51549	0.8
73.34268	0.8
81.07040	1.6
88.07633	1.0
91.05490	1.0
95.08579	1.4
105.06986	1.0
106.12566	0.8
107.08619	0.9
109.94186	0.8
117.06924	0.8
263.51886	0.8
268.68552	0.8
345.20392	100.0
346.20691	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95158	2.5
53.03942	5.5
55.01867	4.7
55.05517	78.8
57.03440	25.3
57.07091	12.4
57.85588	2.3
65.03942	3.7
67.05508	82.7
69.03429	7.0
69.07072	90.2
69.50240	18.2
71.04990	7.4
71.08621	3.1
79.05493	33.1
81.03434	2.9
81.07062	98.4
81.07535	5.9
83.05004	5.7
83.08622	57.6
85.06537	9.9
91.05487	26.0
93.07050	41.7
95.04967	7.1
95.08614	100.0
97.06531	14.0
97.10168	40.9
97.54871	2.4
98.20748	3.3
99.08086	3.8
105.07043	23.1
107.04958	4.3
107.08603	26.3
109.06516	5.5
109.10164	43.4
111.04436	5.4
111.08071	11.5
111.11718	10.9
118.69674	2.5
119.08601	21.3
121.06534	7.7
121.10133	28.4
123.08091	6.8
123.11697	17.1
125.09639	8.9
127.07583	3.9
128.06270	3.4
131.08556	3.5
133.10164	23.4
135.04399	7.2
135.11702	30.6
135.74219	2.5
137.05951	13.0
137.09686	4.5
137.13263	8.1
139.03934	7.0
139.11140	6.1
147.04483	3.9
147.11710	14.6
149.13293	11.1
151.04001	4.8
151.07558	5.9
151.11174	4.0
151.14882	3.6
153.01854	17.3
153.05566	3.5
153.12787	5.7
155.07072	2.8
159.11734	2.4
161.06003	2.9
161.13278	11.0
163.03935	11.2
163.07513	2.7
165.01723	3.3
175.07610	2.7
175.14783	4.2
177.05412	3.8
177.09288	2.9
179.03406	3.3
179.08592	2.7
181.04988	8.2
181.06474	4.2
185.09628	3.3
187.07523	3.1
191.03409	56.1
191.06892	2.7
211.07620	3.4
211.11263	2.8
217.19441	18.9
223.07629	3.8
233.04414	4.5
235.20578	15.7
241.08635	2.7
243.06616	3.7
253.21637	6.9
255.06657	3.7
267.10306	4.5
269.08008	5.8
281.15381	3.3
299.09146	15.2
299.12378	5.6
309.24304	17.0
313.10760	7.6
327.12369	12.0
327.25339	55.3
330.07513	7.8
345.05811	9.2
345.09769	14.3
345.13519	8.4
345.17221	3.4
345.22913	3.4
345.26541	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	345.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95158	2.5
53.03942	5.5
55.01867	4.7
55.05517	78.8
57.03440	25.3
57.07091	12.4
57.85588	2.3
65.03942	3.7
67.05508	82.7
69.03429	7.0
69.07072	90.2
69.50240	18.2
71.04990	7.4
71.08621	3.1
79.05493	33.1
81.03434	2.9
81.07062	98.4
81.07535	5.9
83.05004	5.7
83.08622	57.6
85.06537	9.9
91.05487	26.0
93.07050	41.7
95.04967	7.1
95.08614	100.0
97.06531	14.0
97.10168	40.9
97.54871	2.4
98.20748	3.3
99.08086	3.8
105.07043	23.1
107.04958	4.3
107.08603	26.3
109.06516	5.5
109.10164	43.4
111.04436	5.4
111.08071	11.5
111.11718	10.9
118.69674	2.5
119.08601	21.3
121.06534	7.7
121.10133	28.4
123.08091	6.8
123.11697	17.1
125.09639	8.9
127.07583	3.9
128.06270	3.4
131.08556	3.5
133.10164	23.4
135.04399	7.2
135.11702	30.6
135.74219	2.5
137.05951	13.0
137.09686	4.5
137.13263	8.1
139.03934	7.0
139.11140	6.1
147.04483	3.9
147.11710	14.6
149.13293	11.1
151.04001	4.8
151.07558	5.9
151.11174	4.0
151.14882	3.6
153.01854	17.3
153.05566	3.5
153.12787	5.7
155.07072	2.8
159.11734	2.4
161.06003	2.9
161.13278	11.0
163.03935	11.2
163.07513	2.7
165.01723	3.3
175.07610	2.7
175.14783	4.2
177.05412	3.8
177.09288	2.9
179.03406	3.3
179.08592	2.7
181.04988	8.2
181.06474	4.2
185.09628	3.3
187.07523	3.1
191.03409	56.1
191.06892	2.7
211.07620	3.4
211.11263	2.8
217.19441	18.9
223.07629	3.8
233.04414	4.5
235.20578	15.7
241.08635	2.7
243.06616	3.7
253.21637	6.9
255.06657	3.7
267.10306	4.5
269.08008	5.8
281.15381	3.3
299.09146	15.2
299.12378	5.6
309.24304	17.0
313.10760	7.6
327.12369	12.0
327.25339	55.3
330.07513	7.8
345.05811	9.2
345.09769	14.3
345.13519	8.4
345.17221	3.4
345.22913	3.4
345.26541	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	345.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77318	0.7
53.03954	0.7
54.39807	0.7
58.28479	0.7
65.03925	0.9
67.05490	2.0
68.05022	1.2
69.07063	3.8
69.93427	0.8
70.62572	1.6
70.62923	1.2
79.05489	1.0
85.02881	0.6
89.03910	1.7
91.71905	0.6
94.06571	12.5
95.04947	1.8
96.72720	0.7
100.29041	0.7
108.08105	1.5
110.06071	1.9
112.07633	2.0
116.04978	7.6
118.06505	1.1
121.06508	1.3
122.06039	21.5
123.04456	1.4
134.05972	0.8
137.05997	4.6
140.07072	30.5
141.07814	0.8
144.04454	20.1
146.06012	8.6
153.01807	2.5
162.05548	5.1
167.06979	0.9
170.66315	0.8
172.03944	63.4
173.04330	1.1
173.05858	1.1
174.05531	3.3
178.08723	1.4
188.57909	0.7
190.05017	2.1
204.06572	100.0
205.07025	1.7
206.08156	16.2
256.06155	0.9
300.12283	1.9
307.27713	0.9
313.11807	3.6
327.13547	1.0
327.68069	1.0
331.12900	1.2
345.14502	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	345.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56661	0.8
53.03926	1.3
65.40565	0.8
67.05494	2.8
67.43218	0.9
69.03419	1.3
69.07073	4.8
69.43498	4.9
69.43917	2.0
70.06584	1.1
72.08145	1.0
79.05473	2.5
80.05016	1.1
81.07045	3.1
83.04965	1.1
84.08148	1.0
84.56940	0.9
85.06613	0.9
86.09706	1.0
89.03901	1.5
94.06573	14.8
95.04966	1.6
98.06059	0.9
98.21493	1.8
107.08566	1.2
108.08111	1.6
109.06516	1.4
110.06034	2.1
112.07600	1.7
116.04990	8.2
121.10122	1.4
122.05177	1.7
122.06039	26.4
123.04428	2.3
124.07470	0.9
137.05972	1.9
139.11179	1.0
140.07076	30.0
144.04446	17.3
146.06021	8.2
148.07587	1.0
153.01836	3.3
154.08652	1.0
162.05511	8.8
163.07510	1.3
165.09254	1.0
172.03944	64.2
174.05533	2.6
183.13844	9.8
190.05032	1.9
204.06570	100.0
205.07072	0.9
206.06328	1.3
206.08151	16.1
285.08444	0.9
299.09064	1.9
300.12329	1.8
313.11859	2.5
327.12741	0.9
331.12869	1.5
345.14224	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.4
65.03942	1.0
67.05505	2.7
68.05033	0.7
69.07074	3.8
70.06586	0.7
70.56225	0.5
70.56571	0.8
72.08148	0.8
79.05514	0.9
80.05032	1.0
81.07066	0.9
84.08160	0.9
86.09698	0.8
89.03935	1.8
90.38157	0.4
91.05484	0.9
91.57856	0.4
92.54507	0.4
93.05791	0.4
94.06569	12.5
95.04966	1.8
96.04522	0.6
97.06548	0.6
108.08143	1.8
109.02853	0.5
110.06066	2.1
112.07635	2.1
116.04986	8.2
118.06559	0.5
121.06553	0.5
122.06034	22.5
123.04443	1.6
124.07574	0.6
132.04492	0.6
134.06012	0.7
135.08098	0.4
136.07617	0.7
137.05991	2.8
139.03902	0.6
140.07074	30.1
144.04446	15.7
145.05226	0.5
146.06012	7.3
147.06848	0.5
148.07591	0.7
153.01848	2.3
153.02876	0.4
154.08644	0.5
162.05527	6.4
172.03941	65.2
173.04402	1.1
174.05524	3.2
177.05455	0.7
178.08629	0.9
190.04962	1.9
204.06570	100.0
205.06985	2.6
206.08133	16.5
293.48157	0.4
300.12320	1.8
313.11807	2.4
317.13541	0.4
327.13315	1.5
331.12793	2.1
345.14731	3.7
345.22299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1333
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
51.79488	1.3
55.01861	2.1
55.05521	6.8
57.03442	3.9
57.07076	1.4
65.03943	3.5
67.05516	7.9
68.02644	2.4
69.03419	2.3
69.07081	9.0
69.15524	13.4
69.15938	2.2
79.05486	4.9
81.07075	10.4
83.04946	1.8
83.08607	6.2
85.02909	2.4
91.05480	6.0
93.03400	3.0
93.07030	2.7
95.04948	2.2
95.08624	9.0
95.09167	1.5
96.02139	6.8
97.10181	3.9
98.21459	3.0
105.07021	5.3
107.01300	2.6
107.08598	3.4
109.02874	1.7
109.10155	3.4
111.04443	26.8
115.05501	2.7
117.07046	2.2
119.08572	2.6
121.06526	1.9
121.10121	4.4
123.04392	3.6
123.11703	2.9
128.06235	4.4
129.06963	4.0
133.10042	1.9
135.11679	2.8
135.97867	1.5
137.05968	2.6
139.03912	18.0
141.07022	2.5
144.05669	2.0
145.06477	5.0
151.03899	2.1
151.07582	1.9
152.06200	4.2
153.01822	3.4
153.05594	2.3
153.07021	6.6
154.07808	2.4
155.08565	2.1
157.06465	5.2
159.08084	6.8
160.08817	5.7
161.05960	6.1
161.09621	3.8
161.13161	1.4
163.03883	2.3
165.07039	5.9
167.03351	6.8
167.08556	2.5
168.05714	5.7
169.06480	4.5
171.07996	2.5
175.07588	1.7
175.14819	1.5
175.56702	1.4
178.07809	4.7
179.03351	1.5
179.08548	6.7
180.56744	1.4
181.06485	10.6
182.07253	2.0
183.08080	4.4
185.05966	6.3
185.09608	2.4
187.07559	3.7
188.08377	7.1
189.09065	3.9
190.07832	1.4
191.08510	2.2
193.06506	1.8
195.08026	7.1
196.05231	4.6
196.08849	3.0
197.06000	5.9
197.09586	2.8
198.06779	21.5
199.07510	4.6
200.08379	3.8
206.07378	3.3
207.08112	7.9
208.08794	3.6
209.05969	6.4
209.09555	2.1
210.06688	3.6
210.10443	1.5
211.07562	10.6
211.11203	5.9
212.08295	3.6
213.05449	6.9
213.09074	5.7
215.07051	1.5
219.08018	1.6
221.09624	4.2
223.07576	9.0
224.04765	3.2
224.08292	6.6
225.05463	5.1
225.09091	4.7
226.06300	7.7
227.07091	7.0
228.07826	4.2
228.11438	1.7
233.06079	1.5
235.07562	6.4
235.20436	1.5
237.05417	3.0
237.09320	3.2
238.06285	2.6
238.09871	9.1
239.07043	21.4
239.10657	13.7
240.07771	9.6
241.04913	6.2
241.08627	16.1
243.06534	14.1
243.10054	2.1
249.09032	3.4
251.06926	2.0
252.07872	4.6
253.04927	2.3
253.08601	11.4
253.12259	6.0
254.05811	2.1
255.06583	16.3
256.07339	20.7
256.10266	2.0
256.10867	1.8
257.08099	2.1
265.08557	2.0
266.09427	1.8
267.06528	5.2
267.10159	32.0
268.07324	21.3
268.10666	2.2
269.04742	2.0
269.08084	28.1
271.06430	1.3
271.09711	6.4
271.13297	6.7
280.07343	1.8
281.08304	3.4
281.11804	3.7
283.05945	2.1
284.06729	6.5
284.10419	9.0
285.11215	1.6
286.08350	8.6
287.05475	3.5
295.09607	10.3
296.10471	12.5
299.05588	7.6
299.09210	100.0
299.12750	19.2
300.09485	3.1
311.05566	2.3
313.10736	21.0
315.05035	13.8
316.05640	1.6
317.13806	2.8
327.12277	76.3
327.25299	5.9
328.12708	2.6
329.06525	3.6
330.07315	7.7
345.06262	3.3
345.09607	41.4
345.13373	35.6
345.26160	3.0
346.10010	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	345.1334
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01868	2.0
55.05519	7.1
55.05742	1.6
57.03424	2.6
65.03945	5.1
67.05494	4.5
68.02647	1.4
69.03424	1.4
69.07063	8.6
69.27557	0.8
70.06108	1.5
70.06511	3.0
79.01839	1.1
79.05470	2.1
81.03416	1.4
81.07054	9.5
83.04974	1.4
83.08610	3.0
85.02907	1.5
85.06525	1.3
91.05479	4.3
93.03388	2.5
93.07040	2.9
95.04970	2.3
95.08604	7.6
96.02117	4.5
97.06531	1.8
97.10139	3.1
98.20844	1.2
103.05494	1.4
105.07032	1.7
107.01349	2.4
107.08586	2.4
109.10143	4.0
111.04444	24.7
111.08125	1.2
115.05482	1.8
119.04868	1.2
119.08580	1.9
121.06512	1.4
121.10114	1.6
123.04448	1.8
123.08010	1.0
123.11720	1.5
125.54801	0.9
128.06212	1.5
129.07005	3.0
131.04929	1.2
131.08620	1.3
133.10092	1.6
133.99872	1.0
135.08087	1.2
135.11684	2.3
137.02336	2.3
137.05922	2.1
139.03902	14.9
141.07030	2.0
144.05742	1.7
145.06522	4.8
147.04485	1.3
151.07581	1.7
152.06209	2.3
153.01831	1.9
153.05481	1.5
153.07001	3.9
154.07748	1.6
155.08542	1.8
157.06477	4.4
159.08069	7.2
160.08818	5.5
161.05936	6.0
161.09628	2.4
162.06752	1.3
165.07005	4.5
167.03407	6.2
167.08566	3.2
168.05721	4.5
169.06485	6.0
170.07272	1.5
171.08122	1.4
173.05933	1.8
174.06783	1.1
175.07664	1.1
177.09215	1.2
178.07823	4.6
179.08540	5.9
181.06470	7.3
182.07234	3.1
183.04364	2.1
183.08064	4.0
185.05960	5.9
185.09657	2.3
187.07480	5.5
188.08336	6.7
189.07034	2.1
189.09105	2.5
190.07771	1.8
191.03424	4.9
193.06497	1.1
193.10129	1.6
195.08086	5.3
196.05183	4.7
196.08919	4.5
197.05936	4.6
197.09688	2.4
198.06752	19.4
199.07510	4.1
200.08328	3.1
203.08562	1.3
205.06537	1.8
206.07288	2.0
206.09424	1.5
207.08072	7.2
208.08862	2.6
209.05977	5.4
209.09749	1.7
210.06796	4.5
211.07559	11.3
211.11084	5.2
212.08284	3.0
213.05519	9.5
213.09065	4.9
214.06143	1.1
215.07072	3.0
221.09608	5.0
222.10394	1.3
223.07542	6.8
224.04721	3.1
224.08316	6.9
225.05502	4.2
225.09088	3.3
226.06267	9.2
227.07072	6.4
227.10692	1.3
228.07715	5.5
234.06607	1.2
235.07510	5.0
236.08315	2.3
237.05632	2.7
237.09126	2.6
238.06224	1.9
238.09869	10.7
239.07050	22.6
239.10657	15.9
240.07797	10.3
241.04990	7.2
241.08609	13.0
242.09221	1.1
243.06541	14.5
249.09178	4.3
251.07059	4.1
252.04044	1.9
252.07817	4.8
253.04817	1.7
253.08650	9.1
253.12230	4.3
254.05782	1.7
255.06523	4.1
256.07309	19.3
256.10309	1.9
256.10892	1.9
257.08057	2.0
258.08926	2.3
263.06976	1.3
264.91879	1.2
266.09406	2.8
267.06616	4.4
267.10159	31.3
268.07312	23.2
268.10721	3.0
269.08084	28.8
271.06848	1.0
271.09805	6.4
271.13049	6.3
281.08075	5.0
281.11771	4.0
283.09256	1.3
284.06805	4.2
284.10458	8.3
285.11264	2.1
286.08392	8.0
295.09613	10.9
296.10461	12.5
297.07748	1.1
299.09219	100.0
299.12766	18.8
300.09656	2.3
309.11356	1.1
312.10010	2.1
313.03427	4.3
313.10681	20.9
317.13898	1.7
327.12286	71.0
327.25293	4.0
328.12750	2.1
345.10257	1.7
345.13345	39.0
345.26370	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0818
Annotation	Theogallin
Peak:m/z	Relative Intensity
62.59216	0.4
69.03432	0.6
69.16636	3.7
70.06591	0.5
79.01859	5.4
81.03413	0.7
83.04967	1.0
85.02895	0.9
95.04977	0.5
97.02902	1.3
98.97578	0.5
101.30940	0.3
107.01321	1.8
109.02853	1.4
111.04440	1.0
125.02367	3.7
127.03894	1.4
139.03888	1.3
143.03400	6.6
153.01834	100.0
153.02899	6.0
154.02139	0.5
171.02910	1.5
234.06003	0.4
243.44536	0.4
252.12627	0.4
282.13797	0.7
299.13730	0.5
327.07175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
56.96557	0.7
67.05500	0.6
69.03414	0.8
69.44222	3.0
70.06600	1.1
70.91154	0.4
79.01853	4.5
81.03417	1.1
83.04978	1.5
84.08130	0.5
85.02896	0.7
86.09708	0.8
91.05466	0.4
95.04962	0.8
96.60014	0.4
97.02897	1.6
98.97589	0.5
99.13836	0.4
107.01366	2.2
109.02904	2.0
109.21681	0.4
111.04449	0.8
119.04996	0.4
120.05262	0.6
123.04465	0.4
125.02342	2.8
127.03973	2.2
129.05455	0.5
136.07610	1.2
137.07938	1.0
139.03909	2.3
143.03424	5.5
153.01843	100.0
153.02904	5.5
154.02176	0.5
166.05028	0.7
171.02954	1.8
179.00270	0.6
182.08020	0.5
183.08423	0.9
184.06157	0.8
191.83853	0.5
196.25806	0.5
218.77319	0.6
236.10806	0.5
280.48096	0.4
297.01874	0.5
309.36053	0.5
319.04602	0.5
327.07156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2222
Annotation	Polysignine
Peak:m/z	Relative Intensity
51.31026	0.2
53.03930	0.4
55.05498	0.9
56.05029	0.4
57.03437	0.5
67.05511	1.2
69.07050	1.0
70.06583	0.3
70.75926	0.5
79.05080	0.4
79.05499	4.9
80.04994	1.1
81.03414	0.4
81.07055	1.7
82.06573	0.5
83.08624	0.4
84.08121	0.5
91.05481	3.9
93.05759	0.5
93.07048	3.8
94.06557	0.6
95.04951	0.3
95.08608	1.7
103.05473	11.3
105.07034	3.4
106.06520	0.3
107.04306	0.5
107.04961	6.1
107.08569	2.3
108.08126	14.4
109.08891	1.0
109.10149	0.6
110.09685	1.4
117.07010	0.4
119.08562	0.8
120.08111	3.9
121.06503	0.8
121.08889	0.4
121.10136	0.6
122.09675	10.0
123.08056	0.4
123.10483	2.2
124.11237	0.4
129.07008	0.4
130.06543	3.5
131.04938	5.2
131.08585	0.4
132.08093	3.2
133.10127	0.6
134.09656	0.7
135.11726	2.0
136.11221	4.9
137.13254	0.4
141.76112	0.3
146.09659	0.4
148.11229	0.5
149.06071	0.5
150.12790	24.9
151.13585	6.7
152.10738	0.4
152.14369	4.4
153.12761	0.4
161.13284	0.7
162.12843	0.4
164.14301	0.4
166.08615	0.8
166.12207	0.6
169.08669	0.3
170.09680	0.7
172.11232	0.4
174.09302	0.3
179.14342	0.3
180.10201	5.7
186.12794	0.5
200.14397	1.5
209.14143	0.5
212.14368	0.5
217.63293	0.2
218.11737	0.4
226.15894	0.9
228.10190	1.9
230.11766	0.7
242.11777	0.4
244.13495	0.5
246.11281	1.0
246.14909	1.2
254.19058	3.3
256.13397	0.9
258.15015	0.5
270.14890	3.0
272.16412	0.3
272.20163	0.3
298.14905	0.3
298.18030	1.1
298.21130	0.3
300.19592	100.0
301.19958	3.0
302.21152	2.7
326.20886	0.4
329.06409	0.6
341.21127	0.3
344.22220	60.5
345.10016	0.4
345.22662	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80706	0.2
53.03928	0.3
55.01868	0.2
57.03437	0.4
61.02920	0.6
66.67116	0.2
69.03441	1.2
70.44486	0.5
70.44822	0.3
75.01522	0.2
75.95624	0.2
81.03409	0.7
85.02913	3.4
87.04487	0.3
91.05518	0.4
97.02903	1.3
98.85541	0.2
102.43058	0.2
107.03577	0.3
109.02907	0.5
109.05165	0.3
119.04952	1.7
122.94248	0.2
124.75379	0.2
127.03903	0.2
127.22811	0.2
128.98276	0.2
134.04626	8.4
135.02950	0.4
140.02742	0.6
145.04921	0.3
147.04417	9.1
152.05692	2.3
153.01802	0.7
165.02321	2.7
165.05484	4.5
167.02631	1.3
182.04967	100.0
183.05240	0.6
221.83409	0.2
250.63724	0.2
309.94006	0.2
344.10245	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	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.2
53.03938	3.1
53.15931	0.7
53.75402	0.7
57.03430	1.1
57.54866	0.6
69.03426	9.6
70.00676	2.6
70.01048	1.4
71.04993	1.5
73.02924	0.7
76.34174	0.6
78.03455	16.6
80.05012	2.0
81.02942	1.0
81.03423	17.2
85.02914	11.7
96.04501	5.3
97.02882	5.6
99.04453	2.9
101.49417	0.8
106.02920	67.4
109.02879	11.9
116.07080	1.2
124.03959	100.0
127.03915	8.8
147.04453	1.0
166.05035	1.8
195.17325	0.7
196.06104	0.7
208.05933	0.8
232.06035	5.4
250.07126	29.4
268.08179	30.6
344.13275	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.6
54.70646	0.8
57.03414	1.3
57.81662	0.8
61.02927	1.5
69.03440	5.2
69.57579	1.9
69.57986	2.5
78.03464	4.2
81.03407	4.7
85.02912	18.9
91.05470	5.2
96.04493	1.3
97.02916	5.0
99.04430	1.2
106.02921	11.0
109.02883	2.4
119.04957	19.0
119.33602	0.8
123.04436	2.5
124.03957	14.8
127.03931	5.2
133.08652	0.7
145.04976	3.5
147.04419	100.0
147.91441	0.9
148.04755	1.0
165.05487	53.8
180.08614	1.6
204.64528	0.7
232.05974	1.4
238.43851	0.9
250.07195	5.1
268.08328	4.9
270.00827	0.8
344.13400	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01863	2.1
55.05515	16.8
57.07074	2.9
58.98263	1.6
59.04988	2.0
62.45320	1.7
63.97457	1.7
67.05515	13.5
69.03429	3.9
69.07072	100.0
70.06591	1.7
70.51929	4.6
70.82441	1.4
71.05003	3.5
78.36265	1.3
79.05499	8.1
81.03411	4.1
81.07060	43.9
83.04964	3.5
83.08643	8.3
85.02875	2.3
85.06562	10.8
85.10210	1.7
86.09672	1.6
89.22803	1.6
91.05476	7.7
93.07056	13.6
95.04997	3.2
95.08613	42.8
97.06537	4.8
97.10190	2.9
99.08080	4.7
101.06074	1.9
101.09681	1.5
105.07038	9.2
107.04941	1.9
107.08607	12.9
108.54857	1.5
109.02894	2.6
109.06517	3.0
109.10153	15.3
111.08053	5.9
111.11024	2.7
111.11721	24.7
115.05389	1.8
117.06987	2.0
119.04929	2.6
119.08578	4.3
121.06551	2.6
121.10132	11.4
122.03519	1.7
123.04460	2.4
123.08044	2.6
123.11728	15.3
129.07013	1.5
129.12732	1.7
131.05013	1.5
131.08574	3.6
133.10138	3.4
135.04456	1.8
135.11707	6.0
137.05978	8.4
137.09612	2.6
137.13269	4.7
139.11195	20.7
145.06516	2.5
145.10086	2.0
147.04393	3.4
147.11671	4.9
149.13234	3.3
151.07599	2.1
151.14825	2.8
153.01752	2.5
153.12732	6.5
157.10072	1.6
157.12244	4.6
159.11703	2.1
161.06012	2.5
161.13289	2.9
163.03923	3.0
163.11157	3.6
165.12776	3.8
175.07541	1.9
176.14326	1.6
179.03473	1.9
181.05005	11.5
181.08603	3.0
181.12340	1.5
183.13794	2.3
189.09019	3.7
191.03415	11.4
222.06761	1.9
255.76241	1.9
265.08643	3.8
266.08957	1.6
267.09454	2.3
269.08231	1.7
289.25253	2.6
295.26291	2.4
307.26349	18.5
311.12558	7.5
325.10889	2.2
325.14450	3.0
325.27429	11.2
343.04349	2.9
343.08136	4.8
343.11673	3.6
343.15311	7.9
343.22214	2.1
344.22174	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	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05598	5.5
50.55331	5.2
53.03959	7.1
55.05513	38.1
57.07076	5.7
59.04998	11.5
67.05492	47.7
69.03440	6.9
69.07066	59.0
71.05007	8.6
71.51426	7.6
71.51846	7.2
79.05493	29.0
81.07055	100.0
83.08624	19.7
85.02902	9.4
85.06543	16.9
87.43394	6.0
91.05452	16.0
93.07037	55.0
95.04948	14.0
95.08609	96.7
97.02909	6.2
97.06512	8.3
97.10192	13.4
99.08083	10.1
99.14018	6.9
105.07024	25.8
107.08617	46.6
109.06496	8.1
109.10169	47.8
111.08095	12.3
119.08585	19.7
121.06544	11.8
121.10153	29.1
123.08059	10.0
123.11684	27.3
133.10141	17.6
135.11717	34.3
137.05998	14.3
137.13252	15.7
139.11165	10.9
147.11674	10.2
149.13249	22.7
151.07565	10.2
159.11754	11.2
161.05879	7.9
163.03841	6.9
163.07535	7.0
163.11157	10.6
173.13264	8.6
175.03903	11.7
175.14841	8.6
177.16386	7.3
181.04965	12.3
187.14769	8.0
189.16368	7.8
191.10667	9.6
197.09612	7.5
231.10207	16.9
235.20590	13.6
239.10730	7.8
255.10197	13.1
257.11786	21.8
265.08350	8.1
269.11664	7.7
282.30249	5.9
289.25403	14.2
297.11197	7.9
307.26315	19.5
311.13052	11.9
325.17960	14.8
343.08163	18.4
343.11819	9.3
343.15460	9.1
343.18997	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	343.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01863	2.1
55.05515	16.8
57.07074	2.9
58.98263	1.6
59.04988	2.0
62.45320	1.7
63.97457	1.7
67.05515	13.5
69.03429	3.9
69.07072	100.0
70.06591	1.7
70.51929	4.6
70.82441	1.4
71.05003	3.5
78.36265	1.3
79.05499	8.1
81.03411	4.1
81.07060	43.9
83.04964	3.5
83.08643	8.3
85.02875	2.3
85.06562	10.8
85.10210	1.7
86.09672	1.6
89.22803	1.6
91.05476	7.7
93.07056	13.6
95.04997	3.2
95.08613	42.8
97.06537	4.8
97.10190	2.9
99.08080	4.7
101.06074	1.9
101.09681	1.5
105.07038	9.2
107.04941	1.9
107.08607	12.9
108.54857	1.5
109.02894	2.6
109.06517	3.0
109.10153	15.3
111.08053	5.9
111.11024	2.7
111.11721	24.7
115.05389	1.8
117.06987	2.0
119.04929	2.6
119.08578	4.3
121.06551	2.6
121.10132	11.4
122.03519	1.7
123.04460	2.4
123.08044	2.6
123.11728	15.3
129.07013	1.5
129.12732	1.7
131.05013	1.5
131.08574	3.6
133.10138	3.4
135.04456	1.8
135.11707	6.0
137.05978	8.4
137.09612	2.6
137.13269	4.7
139.11195	20.7
145.06516	2.5
145.10086	2.0
147.04393	3.4
147.11671	4.9
149.13234	3.3
151.07599	2.1
151.14825	2.8
153.01752	2.5
153.12732	6.5
157.10072	1.6
157.12244	4.6
159.11703	2.1
161.06012	2.5
161.13289	2.9
163.03923	3.0
163.11157	3.6
165.12776	3.8
175.07541	1.9
176.14326	1.6
179.03473	1.9
181.05005	11.5
181.08603	3.0
181.12340	1.5
183.13794	2.3
189.09019	3.7
191.03415	11.4
222.06761	1.9
255.76241	1.9
265.08643	3.8
266.08957	1.6
267.09454	2.3
269.08231	1.7
289.25253	2.6
295.26291	2.4
307.26349	18.5
311.12558	7.5
325.10889	2.2
325.14450	3.0
325.27429	11.2
343.04349	2.9
343.08136	4.8
343.11673	3.6
343.15311	7.9
343.22214	2.1
344.22174	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	343.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57857	3.3
55.01863	3.9
55.05515	27.5
56.96568	4.2
57.07072	8.8
60.82482	3.9
63.48234	3.2
65.03936	4.1
67.05519	29.9
69.03418	13.2
69.07072	100.0
71.05003	5.2
71.50608	6.3
79.05489	19.9
81.03427	12.4
81.07063	88.0
83.04963	7.5
83.08617	14.4
85.02886	11.6
85.06541	22.2
86.09711	6.1
88.04018	4.2
91.05474	15.6
93.07047	37.2
95.04961	14.0
95.08620	53.7
97.06525	9.4
97.10183	8.2
99.08101	16.4
101.06031	4.3
105.07060	15.2
107.04950	5.4
107.08610	30.0
108.14662	3.3
109.06503	8.1
109.10178	34.8
111.08048	6.8
111.11713	24.0
115.05502	6.0
117.07052	4.0
119.08590	13.3
121.10157	28.9
123.11736	27.9
125.09643	4.7
127.11172	7.3
131.08588	7.6
132.43985	4.1
133.10138	13.4
135.11707	14.3
137.06001	15.3
137.09615	5.2
137.13260	8.0
139.11191	23.0
140.04689	5.2
145.10130	8.9
147.11674	8.7
149.05936	5.3
151.07553	7.1
151.11131	4.7
153.01819	6.8
153.12769	5.8
159.11736	7.5
161.06000	14.6
161.09607	5.2
163.07596	10.4
163.11142	8.8
163.14905	5.3
165.12744	5.3
175.07530	8.7
177.05563	4.8
179.14290	4.3
181.04970	46.0
181.08572	5.6
189.09261	5.5
191.03316	6.3
265.08652	5.3
280.15491	4.6
295.26218	5.3
307.26312	13.9
311.12793	10.3
325.27429	7.5
343.04425	7.9
343.08218	5.1
343.11691	8.1
343.15695	11.9
343.22906	4.5
344.22101	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03939	6.1
55.01865	6.6
55.05507	16.6
57.03430	8.8
57.07072	7.8
59.04997	5.0
67.05512	31.8
69.03428	11.9
69.07067	7.4
69.16141	3.3
69.16466	26.7
71.04997	25.0
79.05490	30.9
81.03423	4.3
81.07064	32.6
83.04972	8.4
83.08599	4.1
85.06542	4.6
91.05481	42.3
92.05824	2.3
93.07049	78.6
93.07639	4.2
95.04974	56.3
95.08614	92.9
97.06546	14.8
98.20763	3.9
103.05465	5.6
105.07037	85.1
107.04943	7.7
107.08607	57.9
109.06544	13.7
109.10139	4.4
111.08060	2.7
115.05468	8.3
117.07036	36.5
119.08583	30.3
121.06493	18.1
121.10131	21.7
123.08073	37.7
123.11688	2.8
128.06256	3.9
129.07007	9.3
130.07790	18.3
131.08559	10.4
133.06471	7.0
133.10139	16.6
135.08083	29.5
135.11682	20.2
137.06049	4.6
137.09618	7.8
139.04115	2.3
142.07722	3.0
143.08591	15.1
145.06483	3.2
145.10135	100.0
147.08057	15.0
147.11694	3.2
149.09645	4.4
151.07549	49.6
153.09079	5.1
155.08495	3.6
157.10123	10.6
159.08131	5.1
159.11699	10.9
161.09621	10.2
161.13255	4.2
163.03920	2.4
163.11201	70.9
165.09126	19.8
167.08632	2.8
169.10101	3.2
171.11661	6.8
173.09648	6.9
173.13255	5.8
175.03902	3.5
175.11217	7.1
177.09105	4.9
179.07014	5.3
181.10150	2.6
181.12219	4.9
183.11673	3.3
185.13245	3.2
187.11131	5.8
189.09132	3.8
189.12755	11.5
191.10587	3.2
191.14290	4.4
195.11763	3.7
197.13231	6.5
199.11182	3.8
199.14836	3.3
201.12587	3.0
203.14345	9.3
207.10118	3.9
207.11951	4.2
207.13631	11.6
215.14384	2.9
217.12187	4.6
221.15349	27.4
223.14679	3.5
227.14333	3.9
233.15402	3.4
240.23233	9.0
263.16522	7.7
286.19345	7.9
287.20114	2.5
325.21634	15.7
343.08102	3.8
343.22684	99.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03942	4.6
55.01854	7.7
55.05513	27.6
57.03424	10.8
57.07066	11.2
58.85685	3.6
59.04985	7.1
62.31543	3.7
67.05512	40.1
69.03421	13.3
69.07066	14.3
71.05009	22.0
71.50477	4.0
79.05496	34.5
81.03423	4.7
81.07067	43.0
83.05000	7.2
83.08605	10.1
85.06544	8.5
91.05484	45.1
93.07054	73.3
95.04978	56.1
95.08614	100.0
97.06527	19.8
97.10167	4.8
103.05432	5.5
105.07037	87.6
107.04937	5.0
107.07883	6.5
107.08591	73.2
108.08943	6.1
108.21735	4.0
109.06541	24.3
109.10144	8.6
114.67022	4.3
115.05446	5.3
116.89173	3.7
117.07020	39.2
119.08587	31.9
121.06503	18.0
121.10147	31.0
123.08084	21.4
128.06168	6.2
129.07005	7.6
130.07784	16.3
131.08607	20.9
133.06451	9.9
133.10164	26.0
133.39191	5.0
135.08063	56.4
135.11693	28.6
137.09653	7.0
142.07825	5.4
143.08597	11.4
145.10129	89.7
147.08063	13.4
147.11763	6.8
149.09610	9.8
151.07538	37.2
153.09068	5.3
155.08508	3.9
157.10141	13.6
159.08099	6.7
159.11700	9.9
161.09584	7.2
163.11201	59.9
163.14792	7.1
165.09148	14.6
169.10078	5.9
171.11751	5.7
173.13275	25.3
175.03952	4.5
175.11179	5.7
177.09187	6.1
179.06998	4.9
187.11150	4.7
189.12790	12.0
191.10623	9.0
191.14334	36.6
195.11623	5.3
201.12878	5.9
203.12646	6.1
203.14340	12.4
204.13167	6.2
207.13779	8.0
209.15404	5.3
215.14362	6.9
219.13812	32.0
221.15399	24.8
225.12746	4.3
233.15428	6.3
240.23186	11.7
251.16481	16.9
263.16382	8.6
269.15244	8.8
279.15891	26.3
282.27832	8.6
286.19238	6.9
325.21622	13.3
343.22650	70.0
343.26367	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03936	6.2
54.68121	2.9
55.01866	5.6
55.05512	22.6
57.03422	8.0
57.07064	13.2
57.07318	2.9
59.04982	5.8
65.03936	4.9
67.05507	33.6
69.03413	11.2
69.07073	19.3
70.69012	8.7
71.05000	20.8
79.05484	28.9
81.03397	5.7
81.07055	36.7
83.04963	6.5
83.08611	6.8
87.04449	3.9
91.05484	37.4
93.06488	5.1
93.07047	82.8
93.07632	5.0
95.04974	62.4
95.08605	100.0
96.05285	3.2
97.06545	19.5
103.05434	3.8
105.07029	95.6
107.04929	4.6
107.08596	62.7
109.06509	12.5
109.10138	4.7
111.04339	2.9
115.05425	10.1
117.07027	36.7
119.08582	37.2
121.06503	22.2
121.10145	19.2
123.08084	31.6
125.05956	3.1
129.06989	6.3
130.07788	19.5
131.08546	11.5
133.06480	9.9
133.10124	22.9
135.08052	31.9
135.11711	14.2
137.06029	3.4
137.09601	8.7
143.08539	14.6
145.10124	95.2
147.08017	15.4
147.11681	7.2
149.09653	7.0
151.07542	62.2
153.09105	4.7
155.08556	6.4
156.09296	3.7
157.10115	9.7
158.97659	9.1
159.11716	11.8
159.98039	6.2
160.97391	10.0
161.09624	8.3
161.13231	5.9
163.09888	2.4
163.11171	69.5
165.09123	22.6
167.08528	3.6
167.32515	3.5
169.10214	6.9
171.11671	5.1
173.09621	7.1
173.13197	4.6
175.03868	3.4
175.11179	8.7
177.09106	5.0
179.07043	5.4
181.10181	4.8
183.11681	4.9
185.13188	5.7
187.11253	5.0
189.12747	8.5
191.14348	4.1
197.13316	4.8
203.14290	12.8
207.11896	4.6
207.13824	7.0
209.13319	4.8
209.15456	3.4
211.14777	3.6
213.12793	4.4
221.13329	4.6
221.15324	29.2
233.13217	3.0
233.15303	5.1
240.23236	9.5
263.16476	10.1
269.15479	3.6
287.20331	4.4
325.21579	13.2
343.07959	5.6
343.22684	99.2
344.07623	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	343.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
54.02111	1.1
55.01865	3.2
55.05511	1.9
57.03424	4.9
57.07071	1.8
57.49031	1.2
61.02922	4.0
65.03932	1.7
65.39796	1.2
67.05493	3.4
69.03431	17.3
69.07051	3.1
69.20287	1.9
69.20638	13.0
70.06585	5.4
71.01357	1.2
71.04997	3.2
72.08163	2.5
73.02893	2.0
79.05527	5.9
81.03406	8.1
81.07064	10.5
83.04996	6.3
84.08153	2.8
85.02909	36.5
85.45618	1.3
86.09709	3.8
87.04492	1.6
87.14108	1.2
91.03960	1.4
91.05472	6.4
93.07049	13.2
95.04974	18.8
95.08608	2.5
96.27054	1.2
97.02888	13.1
97.06529	4.6
99.04457	3.9
105.07014	8.9
107.04951	4.2
107.08583	10.2
109.02876	3.1
109.06494	3.4
109.10183	1.6
111.05540	2.0
116.01717	1.1
116.07140	1.4
117.07016	3.9
117.41789	1.3
119.08592	6.0
121.06508	5.3
121.10141	16.4
123.08050	1.6
124.07573	1.4
125.05997	11.1
125.09577	1.4
126.03468	1.1
127.03910	9.7
128.43365	1.1
130.07774	3.3
133.06496	1.5
133.10176	2.5
135.08058	2.8
135.11708	8.3
137.05978	4.0
138.05426	1.6
139.03984	1.3
139.05013	2.6
140.04700	1.8
142.03293	1.5
145.04993	7.8
145.10133	19.0
147.04398	3.8
147.07973	2.2
149.06001	1.5
149.09619	1.5
151.07547	1.6
153.01720	1.3
155.07051	1.4
161.09555	1.6
163.03931	3.7
163.11188	100.0
165.09116	1.8
167.07066	1.4
175.03914	16.6
175.11229	2.5
181.04921	13.9
181.08394	1.6
181.12231	18.9
205.12381	2.3
223.13275	2.3
265.08762	1.2
297.11212	1.5
307.15460	1.4
343.08087	8.0
343.13043	5.1
343.17459	2.3
343.54797	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1543
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
51.64460	1.8
51.77203	2.1
53.03933	5.0
55.01869	3.9
55.05486	1.9
59.13567	1.8
65.03940	3.9
67.05498	8.6
69.03409	6.5
69.07060	2.3
70.06608	10.5
71.04974	1.9
71.06922	2.6
71.50359	2.2
72.08149	4.5
79.05494	13.0
81.03405	9.0
81.07082	9.4
83.04977	2.0
84.08118	5.8
85.02902	5.9
86.09697	6.4
91.05477	23.5
93.07032	8.8
93.85355	2.0
94.04179	2.2
95.05001	10.1
95.08607	5.3
96.08155	2.1
97.02886	2.2
97.06512	3.6
99.04434	2.7
100.11212	2.2
102.04713	4.2
103.05467	20.7
105.07019	19.5
106.04137	5.3
107.04955	37.3
107.08566	4.5
109.06509	8.0
115.05457	13.2
116.01651	2.5
116.07076	2.0
117.07020	8.3
119.03078	2.5
119.04925	5.4
121.06482	8.1
121.10129	5.2
122.03633	8.8
122.07278	8.2
123.04398	3.5
124.07594	10.9
125.05968	4.2
127.03860	2.2
129.06990	4.0
130.04123	7.9
130.05011	2.1
131.04921	19.5
131.08607	2.8
132.05576	1.8
133.06500	10.4
133.10063	1.8
135.08041	8.0
135.11699	2.3
137.05986	100.0
140.04680	3.0
141.06990	7.2
143.04967	2.3
144.05568	2.3
145.06487	4.3
145.10249	3.1
146.03622	9.6
147.04419	16.8
147.08028	6.8
148.08739	1.8
149.05969	11.0
149.09621	2.9
151.03915	6.0
151.07539	16.1
153.01851	15.5
153.05507	2.9
155.07004	1.9
156.59436	2.0
157.06514	3.9
158.07268	3.6
160.05202	5.6
161.04628	3.5
161.05975	60.4
162.06789	20.5
163.03877	1.8
163.07545	41.9
163.11185	5.9
163.43059	1.7
165.05539	1.8
165.06949	3.9
166.07808	2.6
167.07094	2.4
169.06474	5.3
172.10658	1.9
173.05978	2.6
173.09570	3.9
174.85852	1.8
175.03876	5.5
175.07535	57.0
177.05475	3.7
177.06950	3.4
177.09113	11.2
179.07077	4.0
179.08554	4.8
179.10672	3.1
181.04971	32.0
181.06522	4.3
181.08589	6.1
183.67261	1.8
189.06946	2.6
189.09137	5.3
190.07718	6.3
193.08647	3.3
194.07222	6.7
195.08009	3.7
201.09134	6.4
203.08496	3.2
205.06496	6.2
205.10158	9.6
206.07266	2.8
207.08080	8.3
209.05975	2.6
209.09618	5.0
211.07571	4.5
215.08672	4.7
218.07332	7.5
219.08206	2.6
219.10146	15.6
221.05997	4.5
221.09654	4.4
222.06764	6.4
223.07532	2.9
224.08331	3.7
225.09087	2.5
233.06004	5.4
233.09607	14.7
234.10335	3.1
235.07568	10.7
236.08206	3.2
237.05486	3.0
237.09039	15.3
237.12596	3.4
239.07091	4.7
239.10680	5.7
241.08676	3.1
249.09117	5.2
250.06308	5.3
250.09863	8.2
251.07050	3.4
251.10600	2.6
252.07790	4.7
253.08546	2.4
254.09273	4.4
261.09027	11.1
263.07062	6.4
264.07813	5.3
265.08603	28.4
265.12173	10.0
267.10147	11.4
269.08078	11.4
269.11530	2.1
277.08813	2.9
278.09332	3.3
279.07489	2.2
279.10239	3.5
281.08160	3.4
282.08804	9.0
283.13416	3.3
284.10577	11.8
293.11694	25.8
294.12659	2.9
295.09552	5.1
296.10379	4.0
297.11276	51.5
297.14798	7.1
298.11191	3.5
299.09897	1.7
299.12787	45.1
310.12012	8.7
311.12778	97.4
312.13284	2.5
313.14584	4.9
325.08563	4.8
325.14474	28.8
327.12323	3.7
343.08200	4.4
343.11679	4.1
343.15540	45.6
343.21674	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	343.021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36975	1.3
52.63016	1.4
56.09557	1.2
56.96562	2.4
69.98335	6.8
98.21583	1.5
98.97589	20.4
100.20231	1.7
116.98637	7.6
174.97697	3.9
176.97440	2.4
177.00940	3.7
198.97850	2.5
208.89270	1.6
216.95474	4.8
216.98814	14.9
218.98476	6.7
219.01984	9.9
220.02194	1.8
222.97867	2.9
234.96490	2.2
234.99889	8.8
236.00066	1.9
236.99582	5.4
240.98930	18.8
245.15147	1.4
258.96625	5.8
258.99948	34.9
260.00183	1.9
261.02930	9.9
264.99020	4.2
273.98627	2.2
276.97589	6.9
277.01080	11.1
283.00006	100.0
284.00143	6.1
300.97586	19.3
301.01065	75.6
302.01233	6.2
318.98715	17.0
319.02121	3.4
324.02588	1.9
325.00992	15.5
342.98685	4.8
343.02145	61.9
344.02261	4.0
360.99246	8.4
361.03690	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1024
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.03945	2.7
55.01856	1.2
55.05500	0.5
57.03432	1.4
58.59062	0.4
65.03664	0.4
65.03944	5.9
65.34328	0.4
67.05508	2.6
67.26429	0.4
67.67922	0.4
68.05029	0.4
68.99779	0.7
69.03434	7.2
69.07074	0.8
69.96469	1.0
69.96860	0.9
70.06590	1.2
71.04977	1.4
72.08129	0.9
73.02917	0.8
77.03895	0.7
79.05480	1.8
81.03420	16.3
81.07043	1.4
82.00612	0.4
82.04198	2.2
83.04986	0.5
84.08135	1.6
85.02908	11.3
85.06525	0.8
86.09705	0.8
91.05472	1.6
92.98048	0.4
93.03397	1.3
93.07040	1.2
95.04980	5.2
96.34490	0.4
97.02904	2.7
97.06529	1.9
99.04469	2.8
100.52194	0.5
103.05495	0.5
105.07022	1.2
106.83282	0.4
107.04934	0.9
107.08591	1.0
108.02090	1.4
109.02878	6.6
109.06553	0.8
109.10138	0.6
110.03654	3.4
111.04442	0.8
111.53910	0.4
116.38331	0.4
117.72404	0.4
119.04975	0.6
119.08590	0.8
121.06509	0.8
121.10157	0.7
123.00780	0.9
123.04442	2.1
123.08099	0.4
124.07633	0.5
125.02336	0.9
125.05968	1.8
127.03925	1.5
129.07021	0.5
131.04932	0.8
133.10077	0.5
137.02351	0.6
137.05981	5.3
138.03127	1.9
140.04697	13.8
142.02611	2.3
145.04965	0.6
147.04399	0.7
147.08051	0.5
149.05995	1.0
151.03885	1.0
153.01834	1.2
153.05469	1.5
153.09036	0.6
155.07060	4.3
159.11667	0.5
161.05974	1.8
163.07547	1.7
163.11162	1.5
171.06502	2.5
175.07529	1.1
181.04961	100.0
182.05304	1.3
197.11755	1.1
199.06024	4.2
237.09087	0.5
265.08636	0.8
269.04376	0.6
293.11707	0.8
297.03867	1.0
297.11346	1.7
299.13000	0.9
301.03635	0.6
311.12817	2.2
313.73962	0.5
325.03360	0.6
325.09177	12.0
325.14288	1.0
343.04416	3.2
343.16132	0.6
343.22412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.05511	10.1
56.14582	1.8
57.03431	1.7
57.07079	12.3
58.43697	1.7
61.02906	1.9
67.53954	2.0
69.03435	4.4
70.06593	5.3
70.75647	1.9
70.75973	4.2
74.52292	2.0
83.08625	4.0
83.20641	1.8
85.02905	17.8
89.06037	35.2
97.02913	6.0
101.09669	23.9
107.07063	38.2
121.06516	9.1
127.03926	3.0
137.05956	1.9
145.04965	4.2
148.37717	2.2
163.11230	3.7
163.13300	100.0
169.06642	2.1
178.22162	2.1
180.96860	1.8
181.89085	1.7
183.15001	2.7
203.93129	1.8
215.82108	1.7
225.25954	1.8
287.94092	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54617	2.4
55.01864	5.9
55.05513	63.9
60.04527	3.2
62.89590	2.1
67.05505	23.3
69.03432	7.4
69.07074	28.3
69.26392	19.6
79.05494	33.0
81.07063	26.1
83.04964	4.7
83.08624	35.4
88.07613	3.8
91.05484	16.3
93.07057	19.4
95.08604	8.9
97.06535	5.1
97.09549	4.5
97.10175	80.8
102.81981	2.5
105.07014	14.2
107.04977	5.3
107.08595	88.5
109.10174	4.4
111.08075	3.0
117.07005	5.4
119.08576	7.5
121.10126	4.6
125.09631	84.3
131.08546	5.5
133.10114	8.6
135.08041	22.0
135.11777	2.5
138.37376	2.2
145.10109	12.3
147.11703	6.9
149.09612	4.8
153.09109	16.9
157.12227	4.7
159.11723	6.1
161.13329	3.6
171.10193	2.7
171.11629	2.7
173.13255	5.4
181.12268	3.5
185.11789	2.5
203.12790	100.0
239.17871	3.4
257.18985	12.6
275.20084	41.7
289.21585	14.8
294.29776	2.5
307.22678	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13436	9.2
53.03965	10.7
55.01870	16.8
55.05512	55.5
57.01934	9.0
58.71075	7.7
67.05510	47.8
69.03432	8.9
69.07076	100.0
79.05498	60.4
81.07057	56.9
83.08620	24.5
84.09487	9.0
91.05479	38.5
93.07048	45.0
95.08623	35.4
97.06525	17.6
97.10172	61.4
98.32261	7.7
105.07059	47.7
107.08598	65.2
109.10172	15.6
117.07069	10.0
117.35415	8.1
119.08569	25.8
121.10143	19.9
122.76324	9.4
125.09654	60.3
131.08553	9.9
133.10136	31.8
135.08041	17.0
135.11681	16.0
137.09656	9.6
142.12813	9.0
145.10129	16.1
147.11687	20.8
149.09631	18.5
159.11674	14.4
161.13159	11.2
163.11159	11.9
203.12782	68.8
257.19086	11.3
275.20160	62.2
289.21631	11.8
306.24554	8.9
307.22650	15.3
323.53391	8.3
330.25900	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	341.3204
Annotation	stellata-2,6,19-triene
Peak:m/z	Relative Intensity
55.05518	16.8
56.93761	1.7
57.03439	12.4
57.06797	2.5
57.07077	44.3
57.14156	1.8
59.06202	1.6
65.03491	1.8
67.05507	35.2
67.79785	2.0
69.07068	39.9
71.08633	33.7
75.05576	1.8
78.20605	2.2
79.05509	12.8
79.56065	2.1
81.07059	100.0
83.08626	23.9
84.05635	2.0
85.10185	16.4
91.05467	7.6
93.07044	26.4
95.08612	81.6
97.10165	18.2
98.17652	1.9
105.07031	25.4
107.08600	32.4
109.10157	46.6
111.11680	5.3
119.08580	24.3
121.10149	32.2
123.11700	31.4
131.08522	6.3
132.35834	2.0
133.10146	16.4
135.11676	24.9
137.13255	14.2
137.66029	2.0
137.70674	2.1
145.10100	6.4
147.11661	16.5
149.13251	23.5
151.14821	3.7
159.11656	10.6
161.13260	21.3
163.14835	11.9
163.61371	1.9
165.16403	2.0
173.13293	8.2
175.14821	10.8
177.16373	8.0
187.14857	3.6
189.16489	10.2
191.17941	9.1
201.16513	5.4
203.17906	15.8
205.19522	2.1
215.17929	6.8
217.19490	18.8
229.19331	3.1
231.21082	6.7
245.22749	4.0
251.92593	2.0
259.24249	2.9
271.24258	3.6
285.25543	4.5
341.09036	2.8
341.26495	3.0
341.31177	80.4
341.36041	5.8
362.62775	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1412
Annotation	3-Trehalosamine
Peak:m/z	Relative Intensity
69.03412	0.3
70.65858	0.8
71.06122	0.8
81.03410	0.3
85.02920	0.3
110.03535	6.1
110.28500	0.2
135.03026	2.3
137.08231	1.8
153.04144	1.2
162.07741	0.8
165.06474	0.6
168.78740	0.2
180.08818	100.0
181.09122	0.8
229.18369	0.2
300.80334	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.2
69.03434	4.3
70.06606	2.0
71.08640	3.4
71.25092	2.1
76.90536	1.3
81.03431	2.4
81.07067	3.3
84.08189	1.5
85.02914	15.6
97.02901	4.5
99.08109	14.1
107.17336	1.2
109.02910	2.4
109.06542	2.9
110.06075	1.7
117.09145	100.0
118.81336	1.4
127.03910	2.1
127.07587	4.7
137.05975	2.5
145.05064	2.2
153.01828	3.4
160.32932	1.3
162.05569	1.7
163.03888	19.0
163.09679	13.6
180.06496	9.0
180.08873	2.0
239.75034	1.3
244.32207	1.4
245.55368	1.3
262.05627	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01868	3.2
55.05514	25.8
57.03436	5.2
57.07067	9.2
59.04992	6.5
59.56106	2.2
65.03938	5.6
67.05511	43.1
69.03429	21.5
69.07072	70.6
69.31348	6.1
69.31766	16.4
70.06586	2.9
71.04992	21.6
79.05498	27.2
81.07060	100.0
83.04981	7.2
83.08625	11.1
85.06549	25.2
86.09691	3.3
91.05450	14.0
93.07048	55.2
95.04989	18.0
95.08611	71.7
97.06527	11.6
97.10181	6.4
98.97586	8.4
99.04459	5.5
99.08102	21.7
100.11266	3.9
100.69039	2.3
101.05994	4.8
105.07036	31.6
107.04967	4.4
107.08594	46.3
109.06529	11.4
109.10163	55.5
111.04459	2.9
111.08091	17.0
111.11729	14.0
117.07063	5.3
119.08587	22.2
121.06516	5.6
121.10146	33.6
122.03743	2.8
123.08060	5.5
123.11706	29.5
125.09644	47.5
127.11198	6.2
127.31371	2.2
129.07002	4.4
131.08604	4.4
133.06525	3.1
133.10138	22.8
135.11688	24.2
137.05986	20.8
137.09645	5.5
137.13261	5.8
139.03909	13.0
139.07591	2.8
139.11186	15.1
143.08563	3.9
145.10120	12.2
147.08087	2.8
147.11729	13.9
149.02295	2.5
149.09637	4.8
149.13254	20.5
151.03941	3.5
151.07549	4.0
151.11185	12.7
153.01801	2.8
153.05484	5.0
153.12744	7.9
155.10687	7.7
159.11699	9.2
161.05937	5.8
161.13248	5.3
163.03867	6.3
163.11206	9.3
163.14743	3.9
165.12766	6.8
167.07022	2.9
167.14366	5.1
169.12238	8.8
171.13837	3.2
173.13251	4.4
175.07596	5.2
175.14850	4.0
177.12778	6.7
177.16466	3.1
181.05037	4.9
181.12265	5.2
187.07570	9.3
189.16406	5.9
191.14641	2.4
195.13823	3.3
203.08839	2.4
203.18268	3.4
207.08047	4.1
207.17470	4.2
210.14969	3.4
211.07565	2.5
213.16473	3.3
223.07715	3.6
231.08020	3.0
234.06757	4.3
239.07066	3.7
249.09048	5.8
263.10605	3.4
265.08585	3.5
266.09421	4.0
270.08817	2.6
271.09692	4.6
281.08395	3.4
281.11768	7.1
287.23788	5.5
291.10202	8.5
293.24744	4.2
295.10031	2.5
295.23944	3.1
297.11215	3.2
305.24753	14.8
309.11218	10.5
310.11813	4.1
313.10904	3.2
313.14435	8.4
323.12906	3.7
323.25720	9.2
332.35550	2.4
341.06595	2.8
341.10568	6.6
341.14230	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	341.2689
Annotation	Officinoic acid A
Peak:m/z	Relative Intensity
53.03945	4.5
55.05515	29.7
57.03431	2.2
57.07081	13.5
59.04992	5.4
67.05511	35.3
69.03430	11.6
69.07072	75.7
70.06574	2.5
70.19541	4.4
70.19945	9.8
71.01340	3.2
71.05009	22.3
74.88447	2.5
79.05509	24.7
81.07063	100.0
83.04988	6.7
83.08643	16.7
84.08171	3.3
85.06550	18.9
91.05479	16.4
93.06484	4.9
93.07050	58.2
95.04966	10.3
95.08613	75.8
97.06547	13.7
97.10170	6.9
99.04449	6.4
99.08096	27.1
101.05995	3.1
105.07035	22.9
107.04959	3.6
107.08600	42.7
109.06516	9.3
109.10163	69.7
111.04513	3.0
111.08082	9.6
111.11710	13.8
117.07009	3.6
119.08597	22.7
121.06504	7.3
121.10144	36.5
123.08064	5.8
123.11729	27.4
125.09635	13.2
127.11214	3.5
129.07002	4.1
131.08578	4.6
133.10153	19.6
135.11696	32.3
137.05977	10.2
137.09628	9.4
137.13254	5.5
139.11182	13.4
145.10112	9.1
147.11702	15.0
149.13266	23.3
151.11180	9.6
153.12778	8.0
155.10626	2.9
157.10123	4.2
159.11702	8.8
161.09642	3.7
163.11192	8.2
163.14957	2.5
165.12755	5.6
167.14328	7.5
173.13283	5.0
175.14777	2.6
177.12761	9.4
177.16405	2.9
179.03418	2.9
181.12180	7.0
184.53224	2.2
185.13234	3.4
187.07474	3.6
187.14757	3.3
189.16405	4.5
195.13809	5.4
203.17882	2.4
223.07285	2.7
287.23553	3.2
291.10175	4.0
293.24765	4.5
305.24805	10.6
309.11209	4.0
323.25854	12.7
341.06573	3.6
341.13727	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01863	1.7
57.03436	1.3
61.02917	0.6
66.21823	0.5
69.03433	13.5
70.06587	0.7
70.11478	2.0
71.01347	1.0
71.04997	4.5
73.02905	0.9
73.04769	0.7
74.73369	0.6
75.34223	0.5
80.81920	0.6
81.02993	0.9
81.03426	14.8
82.45910	0.7
83.06093	0.9
84.08102	0.6
86.09692	0.8
87.04437	0.8
91.05458	1.0
98.20812	0.6
99.04454	5.3
106.06535	0.6
107.22672	0.5
107.82414	0.6
109.06490	0.7
117.05500	0.9
120.08086	0.7
121.06530	1.2
122.06860	0.8
133.07628	5.1
134.06032	1.7
137.05959	1.4
147.04428	1.1
153.01842	0.6
161.07115	9.9
163.08684	7.2
167.10646	0.8
178.07425	1.4
179.03400	6.8
179.08159	1.2
189.06636	7.9
191.08170	5.5
201.06575	0.6
206.06775	0.6
207.07669	100.0
208.07953	1.6
249.08870	1.3
287.10281	0.9
305.11267	2.0
323.12418	32.4
341.13474	25.5
342.13681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
55.05507	3.9
57.07075	1.2
67.05503	3.9
69.03440	1.5
69.07078	7.4
71.51479	0.9
71.51921	1.2
74.02098	0.8
79.05501	5.3
81.07067	9.1
83.04987	1.6
83.08596	1.5
85.06549	1.8
91.05468	7.6
93.07030	6.1
94.04187	3.5
95.04961	2.4
95.08612	6.5
97.06541	2.2
97.10161	1.2
100.11265	1.1
103.05483	1.9
105.07053	9.7
107.04966	2.3
107.08613	4.0
109.06522	2.9
109.10152	3.2
111.08081	2.0
111.11709	1.2
111.63487	0.9
113.91687	1.1
115.05452	4.6
117.07025	3.1
119.04923	1.4
119.08572	7.1
121.06512	2.1
121.10159	5.1
122.03661	8.4
123.04412	1.4
123.08073	1.5
123.11710	4.1
127.11237	0.8
128.06262	3.4
129.06966	4.6
131.04935	2.3
131.08554	1.1
132.05722	4.0
133.06514	3.5
133.10136	3.1
135.11685	2.3
137.05984	100.0
138.06364	1.3
139.03864	1.3
139.11143	1.3
143.04948	1.7
144.05762	1.4
145.06491	1.6
146.03650	1.2
147.04422	2.4
147.08052	6.3
147.11684	1.4
149.06029	1.5
149.09692	1.1
149.13275	2.1
151.07521	1.1
151.11189	1.5
153.01802	1.2
154.77002	0.9
155.04976	0.9
157.06558	1.1
159.08058	3.0
160.05208	3.1
161.05986	9.0
161.09608	1.0
163.07468	1.1
165.07011	1.3
171.84361	1.1
172.05156	1.7
175.07555	41.6
177.09204	1.3
179.07082	1.3
184.05321	1.1
185.05869	1.0
187.07547	8.0
189.07082	1.1
189.09184	1.8
190.07785	5.1
191.08598	9.3
193.10106	1.1
199.07567	8.2
202.07841	3.9
203.08594	7.0
207.08104	1.4
208.08826	1.3
217.08653	1.5
218.07254	3.5
219.08046	11.6
220.08839	3.8
231.08115	7.3
232.08728	1.7
235.07550	2.1
236.08334	1.1
247.07526	3.8
248.08420	2.7
249.09119	1.3
251.10701	9.6
259.07526	3.3
261.09210	1.3
263.10611	2.5
264.07791	1.3
277.08609	2.9
279.07288	1.5
279.10110	9.5
280.10806	1.7
291.10159	6.4
292.10947	3.7
295.09906	1.2
295.13367	1.5
305.24673	1.5
309.11200	2.2
311.12766	8.6
323.12796	4.3
323.25760	2.1
341.06647	1.7
341.13943	6.6
341.19104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0868
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.03935	0.4
55.01875	0.3
55.05495	0.2
57.03429	0.3
67.05499	0.3
67.42332	0.2
68.99790	0.4
69.03445	0.5
70.06582	0.7
71.50957	0.3
72.08160	0.4
73.04768	0.5
79.05498	0.3
79.30257	0.2
81.03408	1.1
83.04955	0.3
84.04514	0.4
84.08146	0.9
85.02906	1.4
91.05446	0.5
93.07050	0.4
95.01333	0.3
95.04958	0.4
97.02915	1.3
105.03387	0.7
105.06918	0.2
107.01333	1.0
107.04944	0.3
109.02888	0.4
110.07108	0.2
111.04422	0.3
119.04926	0.2
121.06512	0.6
122.06837	0.2
122.73646	0.3
123.04402	0.6
125.02329	0.4
125.26941	0.2
127.03883	0.3
133.02840	1.3
136.07584	0.3
137.02394	0.2
137.05986	1.2
138.06331	1.0
139.03911	1.3
147.04430	0.5
151.03917	2.1
152.07079	0.2
153.01810	1.0
161.02345	6.9
166.08707	0.3
179.03398	100.0
180.03731	0.7
209.16341	0.3
227.68939	0.2
288.05780	0.3
306.06848	0.3
316.03024	0.3
326.21402	0.2
341.08459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.2
57.03408	0.9
58.98807	0.7
60.89007	0.8
61.19907	0.7
62.88174	0.8
67.01867	2.2
69.03435	1.1
69.85715	4.2
70.06602	1.3
71.08640	17.7
84.08131	1.1
85.02921	5.0
86.09685	1.1
88.11274	100.0
91.05493	5.2
93.07051	1.6
95.01337	1.8
97.02910	7.4
98.97565	0.9
105.12009	0.9
107.05008	0.8
110.07220	1.0
111.04462	0.9
113.02382	2.0
119.04955	2.9
120.08101	1.1
121.06509	5.0
123.00783	1.7
125.02371	4.3
137.05988	23.6
139.03900	4.3
141.01862	2.4
142.62842	0.8
151.03903	0.9
153.01840	2.5
160.07570	5.3
163.08740	2.0
165.11087	1.1
173.86488	0.8
176.88699	0.8
178.04808	0.8
178.07164	0.8
178.08615	3.0
197.30370	0.8
226.07640	0.8
259.06015	2.5
262.31339	0.8
269.04346	0.8
278.09988	0.8
287.05511	2.9
295.14148	0.9
305.06561	5.4
322.13950	2.4
340.10129	2.4
340.14914	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	341.087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01878	0.4
55.64616	0.2
61.75321	0.2
65.03942	0.2
68.99789	0.5
69.03420	0.8
70.06586	0.6
71.50764	0.3
72.08140	0.4
73.04745	0.3
81.03417	1.1
83.04984	0.3
84.08139	0.8
85.02911	1.1
86.09696	0.5
91.05448	0.5
93.07061	0.3
95.04976	0.5
95.08566	0.2
97.02878	0.8
99.04498	0.2
105.03396	0.7
105.07007	0.3
107.01324	0.7
107.04909	0.4
109.02862	0.6
109.06447	0.3
110.07190	0.3
111.04454	0.2
119.04982	0.4
121.06527	0.5
121.10191	0.2
123.04457	0.5
127.03931	0.5
131.04897	0.3
133.02890	1.1
137.05968	0.9
138.06364	0.5
139.03931	1.5
144.02269	0.2
147.04414	0.9
151.03932	2.2
151.05028	0.4
152.07082	0.2
153.01833	0.9
161.02353	5.7
161.05983	0.2
163.03842	0.3
166.08794	0.2
166.44200	0.2
167.07062	0.2
179.03403	100.0
180.03749	1.1
181.04980	0.2
190.06172	0.2
261.81015	0.2
269.04437	0.3
270.71503	0.3
305.06754	0.4
323.12756	0.4
341.08664	0.7
341.11823	0.7
350.20203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01871	1.8
55.05522	0.4
57.03441	0.5
67.01864	1.3
67.05488	0.4
68.87654	0.3
68.99789	0.8
69.03438	0.6
70.06603	2.2
72.08154	0.7
75.32220	0.3
79.05500	0.5
81.03450	0.4
81.93941	0.3
83.01348	2.9
84.08134	0.7
85.02918	2.8
86.09717	0.6
91.05483	7.4
93.07053	6.8
95.01340	1.9
95.04965	1.2
97.02885	4.4
98.06073	0.5
98.20726	1.1
103.05477	5.1
105.04516	0.6
105.07014	0.5
110.06062	1.3
110.07172	0.6
111.00810	1.8
111.06416	0.6
113.02389	1.5
116.07114	0.5
119.04971	3.1
120.04456	2.4
120.08138	0.4
121.06515	100.0
122.06847	0.8
123.00814	1.8
123.04549	0.4
125.02353	3.4
136.06160	2.5
136.07570	0.7
137.05988	15.6
138.09155	3.7
139.00247	1.2
141.01845	1.5
146.03336	0.4
147.04451	1.1
153.01897	0.9
154.08688	1.0
157.06480	0.6
161.05986	0.5
164.07076	1.2
165.07454	0.8
175.03941	1.4
175.07497	0.6
177.05463	0.5
179.03447	1.1
180.10144	0.4
182.08130	0.8
183.08499	0.4
185.00865	0.5
185.06136	0.5
190.29178	0.4
195.68681	0.4
203.07022	1.1
207.06496	2.6
229.80161	0.5
231.06541	1.0
243.06557	0.7
253.07199	1.0
259.06052	1.4
278.10336	0.4
287.05490	2.6
296.14618	0.4
299.28430	0.4
304.08237	1.3
305.06607	3.8
322.09241	1.9
323.07651	4.8
323.15002	0.6
340.10330	5.5
340.17279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03945	3.9
55.01884	2.2
55.05510	17.7
55.67922	1.8
57.03429	4.7
57.07064	6.2
67.05511	93.3
69.07065	13.8
71.04985	5.5
71.24440	2.2
71.24784	3.7
75.04478	1.8
79.05496	52.9
81.06592	4.4
81.07063	87.9
83.04986	2.0
83.08617	8.2
85.06586	4.8
89.26084	2.4
91.05491	30.9
93.06486	3.9
93.07053	66.9
95.04958	3.2
95.08612	86.4
97.06544	4.6
97.10149	5.8
105.07050	22.4
107.07887	2.7
107.08597	46.4
109.06508	2.5
109.10165	48.2
113.09638	3.2
117.07041	9.4
119.08596	27.3
121.06542	3.4
121.10156	50.4
123.08118	3.0
123.11722	21.0
125.09663	5.1
131.08577	25.1
133.10152	22.7
135.11703	40.4
137.09540	3.4
137.13255	9.0
145.10132	28.2
147.11682	22.3
149.09663	2.9
149.13266	23.8
151.11143	3.4
159.11708	28.9
161.13239	6.0
163.11269	3.5
163.14838	5.8
165.12837	2.5
173.13260	14.7
173.57359	2.1
187.14835	7.0
219.21220	4.6
229.19516	22.8
247.20595	100.0
252.56673	1.9
257.18915	4.3
265.21582	3.6
275.20135	9.8
283.16919	7.1
289.21597	3.0
307.22876	2.4
321.24274	12.0
339.18060	2.5
339.25317	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	339.2894
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
51.22189	1.0
53.03936	1.8
55.01871	1.0
55.05514	39.5
57.03442	21.0
57.06839	1.4
57.07077	18.0
57.40011	1.0
58.02075	0.9
65.03910	1.1
67.05508	31.3
68.07584	1.0
69.03408	1.0
69.07071	58.4
71.04981	2.9
71.08632	9.0
73.06561	1.4
79.05499	11.6
81.06593	2.0
81.07059	34.4
83.04978	2.2
83.08621	35.4
85.06558	1.6
85.10178	4.2
87.04505	1.1
91.05473	2.9
93.07044	17.7
95.08610	31.5
97.06530	5.8
97.10166	18.6
97.73991	1.0
99.08089	1.2
105.07050	1.7
107.08583	9.6
109.10154	14.9
111.08096	3.2
111.11726	5.4
121.10144	16.0
123.11659	5.0
125.09612	2.3
135.11690	12.5
137.13246	1.2
139.11179	2.6
149.13222	5.6
151.14888	1.5
153.12656	1.7
163.14838	2.5
165.16408	1.6
177.16400	1.9
205.58037	1.0
247.24207	2.9
265.25372	3.9
301.52963	1.0
339.28979	100.0
340.29471	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03954	3.1
55.01860	1.2
55.05514	15.8
57.03446	6.2
57.07072	4.5
65.03935	4.7
65.25301	1.2
67.05509	92.5
69.07063	12.8
70.13560	6.0
71.04984	2.3
72.36974	1.2
75.04480	3.1
79.05498	50.1
81.07063	100.0
83.08625	6.8
85.06556	3.2
91.05492	20.1
93.07047	59.8
95.04997	2.8
95.08612	96.1
97.06529	2.2
97.10177	3.9
99.08076	3.2
105.04560	1.5
105.07043	21.3
107.08607	39.8
109.06559	2.4
109.10163	51.9
111.08098	1.6
117.07029	9.0
119.08601	19.4
121.06483	2.3
121.10155	44.9
123.08047	1.8
123.11727	18.9
125.09628	2.1
131.08574	19.2
133.10141	14.1
135.11702	33.7
137.13171	6.1
139.11220	2.0
145.10147	24.9
147.11707	12.5
149.13261	19.8
151.11171	1.9
159.11713	20.6
161.13258	5.4
163.11172	1.8
163.14822	6.7
165.12833	1.6
167.14326	1.3
173.13269	13.8
175.14938	1.7
177.12720	1.6
185.34572	1.2
187.14888	6.9
201.16368	2.9
205.15955	1.7
219.21056	5.1
229.19524	25.8
247.20593	88.7
248.20979	1.7
249.22188	1.6
265.21561	7.7
269.35129	1.5
279.95578	1.6
283.16873	2.2
321.24353	9.5
339.25357	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.05514	14.2
57.03423	6.9
57.07071	5.1
65.03934	3.3
67.05513	85.4
69.07084	13.6
69.32237	4.4
69.32663	10.3
71.04974	2.7
75.04485	2.2
79.05497	48.2
81.03413	2.6
81.07066	88.8
83.08604	6.4
85.06549	3.6
91.05489	27.6
93.07053	61.7
95.04958	3.7
95.08617	81.2
97.06519	4.1
97.10159	4.8
98.21510	3.4
99.08062	2.3
105.07047	23.2
107.08604	47.7
109.06528	2.4
109.10164	50.3
111.08082	2.7
114.85168	1.8
117.07024	10.9
119.08593	19.7
119.38612	1.7
121.06481	3.0
121.10162	43.1
123.08102	2.1
123.11708	17.2
125.09566	2.6
131.08582	24.2
133.10110	15.9
135.11716	31.5
135.68208	1.6
137.09663	2.3
137.13257	3.0
145.10144	22.9
147.11697	14.8
149.13277	22.7
151.11162	4.1
159.11699	20.2
159.77855	1.6
161.13269	5.2
163.14832	7.6
165.12759	2.6
173.13257	17.0
187.14816	7.0
201.16391	2.9
219.21002	6.4
221.41719	1.6
229.19533	32.0
247.20598	100.0
248.20955	2.3
265.21625	5.0
307.72375	2.6
321.24194	6.7
339.18576	2.5
339.25040	19.2
359.27148	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03938	3.1
55.01859	1.2
55.05513	48.0
57.03432	1.8
57.07064	3.1
59.04998	1.8
67.05511	10.8
69.03436	3.5
69.07068	26.6
70.17787	3.1
70.18182	2.3
71.04977	2.2
79.05495	7.2
81.03392	1.1
81.07059	31.2
83.04981	2.1
83.08618	4.5
84.04514	2.0
85.06546	3.6
91.05478	3.4
93.07049	11.0
95.04967	4.2
95.08614	39.2
97.02899	1.6
97.06519	2.9
97.10174	100.0
99.04510	1.4
99.08102	1.4
101.06023	3.2
105.07050	7.0
107.08591	11.7
109.06533	3.2
109.10156	14.9
111.08098	4.9
111.11749	3.5
119.08600	8.6
121.10151	9.2
123.08083	2.7
123.11723	6.9
125.09637	19.1
131.00136	1.1
131.08553	2.4
133.10152	5.1
135.08044	1.5
135.11691	4.7
137.05966	1.6
137.09616	2.1
137.13275	2.1
139.11180	6.7
141.09106	1.2
143.10677	40.7
145.02832	1.8
145.10165	2.4
147.11707	3.4
149.09593	1.1
149.13300	4.0
151.07574	1.9
151.11168	1.9
151.14888	3.6
153.12782	2.2
157.12253	3.5
159.11708	2.8
161.05977	1.3
161.09593	1.5
161.13255	3.4
163.04086	1.0
163.11111	1.8
163.14838	1.5
165.09184	1.3
165.12737	2.4
171.10133	5.0
173.13289	1.4
175.14813	1.8
177.05466	4.1
177.12788	1.2
179.10707	1.6
179.14247	1.3
179.18166	1.1
189.11208	5.7
199.14946	1.7
203.12791	1.4
219.08134	1.8
229.12665	1.2
251.10684	1.1
264.07703	1.9
275.23636	1.8
277.21622	1.4
279.09872	1.5
285.22125	1.1
293.21051	1.3
303.19931	1.5
303.23148	9.2
307.09689	3.2
321.24237	21.8
339.08658	1.7
339.12305	8.9
339.25375	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	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
50.69916	1.6
52.78607	1.8
53.03937	3.3
55.05513	19.5
57.03440	8.3
57.07069	7.6
65.03941	2.7
67.05510	95.8
67.09076	1.5
69.07071	13.3
69.18504	17.5
71.05004	3.8
79.05496	49.9
80.34614	1.8
81.07062	100.0
83.04969	3.2
83.08620	9.8
85.06536	5.6
86.87762	1.7
91.05481	25.7
93.07047	61.0
95.08612	90.6
97.06567	3.4
97.10155	4.1
99.08070	3.3
105.07031	26.9
107.08603	43.7
109.06485	3.9
109.10164	60.1
111.08101	3.4
113.09665	1.7
117.07003	7.4
119.08591	26.1
121.06553	2.5
121.10153	54.8
123.08060	2.0
123.11700	18.7
129.07005	2.0
131.08586	20.9
133.10149	17.3
135.11707	37.0
137.13257	6.8
139.11258	2.3
141.07040	1.6
145.10124	21.4
147.11705	23.4
149.13295	17.9
151.11136	1.9
159.11714	21.9
161.13205	5.1
163.14816	6.3
173.13295	12.4
175.11201	5.5
175.14807	2.0
177.12738	2.7
187.14832	3.5
189.16362	2.5
219.21060	5.1
229.19521	26.7
234.72385	1.7
247.20595	93.7
251.44839	1.8
265.21698	7.7
266.81650	1.9
283.16983	34.7
321.24234	12.3
338.95221	2.1
339.25586	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	339.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	3.3
51.32558	3.1
53.03950	24.1
55.01865	8.8
55.05510	49.5
56.11434	2.9
57.03435	16.1
57.07061	6.3
59.04997	5.7
65.03945	4.5
67.05509	92.5
67.24796	3.2
69.03420	7.7
69.07060	14.2
71.04996	38.0
73.02894	4.4
73.06543	3.9
79.05495	61.5
81.03416	34.3
81.07060	88.9
81.07533	7.0
82.55967	3.8
83.04989	82.9
83.08620	10.2
83.94996	3.8
85.02891	5.5
85.06558	9.4
88.33009	3.2
91.05480	55.7
93.07045	77.2
95.04984	28.3
95.08608	51.4
97.06533	11.2
97.10193	6.4
99.04482	9.0
99.08077	6.2
101.06013	5.8
103.05428	5.1
105.07035	43.5
107.04961	37.0
107.08595	28.6
109.06539	23.4
109.10165	15.2
111.04453	9.7
111.08071	8.2
113.05981	4.9
117.07030	19.8
119.08607	29.8
121.06512	15.7
121.10130	17.8
123.04436	9.5
123.08072	15.7
125.06000	15.0
129.07027	18.6
131.08554	27.2
133.06490	11.2
133.10124	23.5
135.08051	14.3
135.11671	16.6
137.06018	4.3
137.09662	5.4
141.07001	8.2
143.08598	10.0
145.06476	12.8
145.10095	24.2
147.08034	13.1
147.11711	16.2
149.09669	6.8
149.13246	12.0
149.82338	3.7
151.07533	10.4
154.83588	3.7
155.08534	7.2
157.10170	13.8
159.08055	11.7
159.11667	28.8
161.09604	11.2
161.13266	12.5
163.07555	13.2
163.11169	20.3
169.10141	5.6
171.11685	17.6
173.09659	8.7
173.13252	9.0
175.11172	9.9
177.09113	6.0
177.12698	16.7
181.10086	3.7
183.11752	5.3
187.11188	10.6
189.12682	7.2
189.16229	4.7
191.14284	7.7
193.05003	3.6
197.13138	4.1
205.12241	5.8
205.15869	8.1
207.13777	8.4
211.14816	5.0
215.14273	4.3
217.12224	7.6
219.13670	4.6
231.13788	7.2
233.15323	24.4
235.13280	3.9
237.14853	5.2
243.17514	8.4
253.15921	9.0
261.18399	25.7
271.17047	26.7
283.17075	4.2
289.17987	100.0
303.19525	18.3
320.18466	6.2
321.20673	21.8
339.22635	6.6
339.27164	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	339.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37956	0.7
52.46965	0.8
54.54351	0.8
55.01857	0.8
57.03422	1.8
64.18549	0.7
69.03413	2.6
69.07014	0.8
70.06559	1.4
71.04987	1.3
71.50330	0.9
71.50684	1.0
72.08155	7.2
79.05483	1.1
81.03433	1.4
83.04976	0.9
84.08128	1.8
85.02441	1.1
85.02908	12.6
88.93790	0.7
89.03914	5.1
89.10795	3.9
91.05466	3.0
95.01305	2.5
95.04955	1.2
97.02908	4.8
98.06030	1.6
107.04935	0.8
109.02853	1.1
110.06005	1.6
113.02361	0.9
115.08664	0.9
117.03386	20.7
119.04929	3.5
121.06487	4.6
122.06025	1.3
124.07567	2.2
124.26801	0.8
127.03892	2.2
134.03606	1.2
134.06012	0.8
135.04430	1.7
136.07617	5.6
137.05992	6.9
138.05447	1.4
140.07054	0.9
141.01830	5.5
145.02853	65.6
145.04919	4.1
145.13512	0.7
146.03238	1.2
147.04424	8.0
149.05972	7.7
152.07100	4.3
153.01756	1.0
154.08589	1.2
159.02847	1.1
160.07541	1.4
162.03140	8.1
162.05498	1.7
163.03877	2.0
164.07071	6.0
171.04382	2.1
175.03923	2.0
177.05463	100.0
178.05840	1.4
182.08101	2.5
203.07117	0.9
209.72073	0.7
215.07030	1.2
219.02908	2.3
219.06512	14.9
251.09154	56.8
252.09509	0.9
268.86459	0.8
289.08521	0.8
289.11804	0.9
298.07297	0.8
303.13379	2.9
307.09241	0.9
318.61755	0.8
321.14468	1.6
322.16519	3.3
339.12152	1.4
339.15631	2.5
339.19156	37.5
340.10205	0.9
344.38791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04002	0.6
55.01918	0.8
57.03511	3.0
60.43623	0.7
61.03007	1.9
69.03517	6.9
69.70132	1.4
69.70544	1.6
70.55899	0.5
71.01427	1.1
71.05080	1.8
72.08221	0.6
73.02994	0.7
73.31107	0.5
79.05574	0.5
81.03494	0.9
82.06664	0.8
84.08228	1.8
85.02980	0.8
87.04522	0.6
91.05560	1.2
93.07105	0.8
99.04559	2.2
115.72874	0.6
119.05026	0.9
120.08185	1.0
121.06618	1.4
125.08060	0.5
134.50340	0.6
137.06071	1.1
137.24178	0.5
145.02959	1.1
146.92203	0.5
147.04408	2.8
147.08058	1.9
147.09277	2.0
151.03996	0.9
153.01913	0.6
161.09618	1.9
162.10281	30.9
163.04002	0.9
163.08817	1.1
173.06003	1.7
174.10371	1.8
175.08749	1.2
175.11099	0.6
177.05592	2.5
186.10422	2.1
188.08211	60.7
198.10370	0.9
200.08308	0.9
200.11931	1.8
204.11447	1.3
206.09312	1.4
207.06630	1.3
212.11984	1.0
229.46201	0.6
230.12938	1.6
242.13031	0.6
260.14008	0.6
275.20264	0.5
278.15057	8.6
279.13632	0.6
293.18713	0.7
296.16083	8.7
298.31854	0.5
304.12897	1.7
322.13998	100.0
323.14365	1.0
339.16623	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19498	1.2
67.05491	2.1
69.03445	1.3
70.06588	3.3
70.60153	3.0
72.08166	2.1
79.05486	5.0
81.03427	2.0
81.07066	6.8
82.06564	2.0
84.08164	2.6
85.02901	4.3
89.03922	2.5
91.05480	12.3
93.07069	1.4
94.06593	4.0
96.08134	2.4
97.02920	3.0
100.40343	1.3
107.34689	1.2
108.08109	3.0
109.06528	1.8
110.06071	13.6
117.03365	11.7
119.04948	18.3
120.08157	1.9
121.06511	3.0
122.06047	25.4
123.06838	3.2
123.07832	1.2
124.07616	19.4
134.06046	17.2
136.07585	82.7
137.06004	8.0
138.05536	2.2
138.09105	1.7
140.07057	8.8
140.11894	1.4
141.01772	1.5
145.02849	37.6
147.04417	57.3
148.04648	1.4
149.06017	4.0
150.05505	5.9
152.07074	100.0
153.07414	1.5
162.03185	2.7
162.05545	6.3
163.03886	2.5
164.07082	99.7
166.08644	1.6
168.06609	2.4
170.08128	12.0
177.05470	56.1
182.08131	27.9
182.09586	2.3
200.10754	2.6
214.12300	1.8
219.02968	2.5
219.06453	9.9
232.13350	2.3
233.04460	2.0
251.09187	28.6
260.12842	4.5
285.12515	3.0
303.13394	50.0
305.06546	2.4
321.14420	8.9
322.16583	2.4
339.07275	2.0
339.15515	3.1
339.19220	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	339.1078
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
51.86427	1.2
55.01883	1.4
55.05505	2.1
57.03431	1.1
58.27789	1.3
59.07619	1.3
65.03935	2.1
67.05485	2.4
68.37479	1.3
69.03436	2.1
70.06598	2.7
70.88648	2.6
72.08149	3.6
77.03925	1.2
79.05497	5.9
81.03406	2.7
81.07066	10.2
82.06580	1.5
84.08121	2.7
85.02914	3.1
89.03919	2.9
91.05492	13.5
93.05788	1.8
93.07073	1.9
94.06567	4.8
95.01334	1.7
95.04964	1.4
96.08099	2.6
97.02899	3.5
97.23788	1.2
98.06082	1.9
106.06562	2.0
108.08121	2.7
109.06513	2.2
110.06049	21.5
112.07555	1.4
117.03385	15.4
119.04945	20.6
120.04462	1.4
121.06576	2.1
121.33004	1.3
122.06041	23.7
123.06795	3.5
124.07608	18.1
134.06029	17.2
135.81099	1.2
136.07582	83.3
137.05943	4.1
137.07930	2.0
139.03874	2.0
139.83040	1.3
140.07054	10.7
145.02855	45.4
147.04419	84.9
149.05945	6.0
150.05511	8.4
152.07076	97.3
153.01865	1.6
154.08629	2.0
158.08136	2.1
162.03146	6.0
162.05466	6.4
163.03940	2.6
164.07079	100.0
166.08661	2.6
168.06544	2.4
170.08145	14.8
175.03879	2.1
177.05476	75.2
182.08144	26.8
182.09511	0.9
187.72513	1.5
187.74197	1.3
203.03465	2.8
215.08429	1.5
219.02992	2.1
219.06561	11.1
233.04510	1.9
240.10280	1.5
242.11722	2.0
243.11510	1.5
251.09174	47.3
251.11823	2.3
257.12714	1.4
260.12863	5.1
261.03964	2.0
278.45599	1.3
285.12311	3.5
303.13391	45.4
321.14407	11.1
322.16711	2.1
325.94916	1.4
339.06891	1.6
339.15509	2.8
339.19205	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90289	1.0
55.01871	3.9
56.96554	2.0
65.03930	1.9
68.99795	4.3
69.03429	5.0
70.06582	1.9
70.69734	1.1
70.70055	2.5
72.08154	2.0
75.28872	1.1
79.01855	1.3
81.03457	1.5
81.07054	1.1
84.04506	1.3
84.08151	3.3
84.08752	1.3
84.94349	1.2
85.02894	4.4
88.71871	1.1
91.05461	2.1
95.04962	1.7
97.02890	10.1
105.07024	2.2
109.02875	1.7
110.06026	1.4
110.07166	1.5
110.60905	1.2
111.00755	1.5
115.05434	1.6
119.04945	3.4
121.02908	1.7
121.06504	2.6
122.05988	1.4
123.04426	6.8
125.02324	11.2
127.04035	1.2
130.04990	1.9
130.08653	1.1
135.04449	3.1
136.07585	3.1
137.02303	1.3
137.05978	4.1
139.03918	23.6
140.04654	1.5
145.02847	2.4
145.06526	1.3
147.04422	6.8
149.02307	2.3
149.05991	2.3
150.03073	1.5
151.03935	8.6
152.07088	2.2
155.03404	3.0
155.04752	1.2
159.04373	1.7
159.09229	2.2
160.11273	1.9
161.06039	2.0
163.03932	14.3
164.07089	3.3
165.01888	2.1
171.04431	2.0
175.03938	3.6
177.05473	49.4
177.06609	1.9
177.10262	1.5
178.12291	3.4
179.03447	3.4
181.05034	8.6
182.08136	2.4
183.02934	1.9
185.06039	2.1
187.03925	10.3
189.05542	2.7
191.03377	3.8
193.04965	3.2
195.61150	1.1
199.03946	2.0
201.05470	2.6
203.03409	100.0
204.03773	2.0
205.04971	32.1
207.11346	1.7
213.05408	3.1
215.03387	11.3
217.04881	1.8
221.04520	5.7
229.04948	2.7
231.02980	9.0
231.06474	1.7
231.19798	1.3
231.28636	1.2
233.04446	26.3
239.03467	2.0
242.02051	2.2
244.60269	1.5
247.06027	23.6
249.03876	5.0
251.05486	13.7
253.11142	2.7
257.04456	3.6
259.06015	2.7
259.39703	1.2
261.03851	1.2
275.05515	13.1
275.13965	1.8
277.03491	4.6
277.07095	4.1
279.09573	1.4
285.03885	1.2
293.14969	1.4
295.04526	16.4
303.05069	5.6
303.13364	2.0
321.06067	84.0
321.14096	6.9
322.06342	1.5
322.13223	2.0
339.07172	32.1
339.11417	3.0
339.15524	15.2
340.13889	1.4
344.13535	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	14.9
55.01858	10.7
55.05502	28.3
57.07062	11.3
67.05515	50.3
68.05841	11.4
69.03425	32.0
69.07076	52.6
69.45955	58.6
70.06586	15.9
71.05001	9.2
79.05499	24.7
81.03429	15.9
81.07066	73.7
82.07383	11.0
83.04992	22.4
83.08605	11.4
85.06559	21.2
91.05486	44.2
93.07043	45.2
94.07382	10.8
95.04967	14.6
95.08620	58.5
96.08932	17.4
97.02906	19.0
97.06536	14.6
97.10152	10.1
98.06871	9.1
98.20782	14.6
99.04449	11.2
105.07056	59.3
106.07368	9.9
107.08609	48.5
108.08904	14.1
109.02857	19.3
109.06512	14.5
109.10149	46.2
110.10530	10.3
111.08073	16.9
113.63795	8.0
119.08588	95.8
121.06506	56.3
121.10178	63.2
122.10480	11.9
123.08083	11.2
123.11717	17.5
125.09638	11.6
127.03886	9.3
129.06999	11.4
131.08604	42.4
133.10181	56.3
135.08035	16.2
135.11674	30.0
137.09631	20.6
138.14557	9.0
139.11200	26.2
143.08548	19.1
145.10120	100.0
147.08043	33.9
147.11685	46.2
148.11945	11.9
149.09647	16.1
149.13252	18.7
155.08528	13.5
155.44757	10.5
156.09271	15.5
157.10130	21.9
159.11693	28.2
161.09554	12.0
161.13144	10.4
165.09094	19.9
171.11699	26.3
173.13261	38.3
175.11293	12.4
175.14838	29.8
176.03503	11.8
179.08575	9.0
183.11732	21.9
185.09674	11.7
185.13306	25.8
187.11043	11.4
187.14821	94.8
188.15585	36.3
189.12828	9.6
191.10762	13.1
193.15834	15.4
197.13316	23.3
199.11237	13.1
204.29370	8.8
205.15968	57.4
207.11499	9.3
211.11157	15.7
215.10730	10.1
223.53908	9.5
225.12735	17.7
227.14394	13.8
239.17854	19.3
243.13834	24.7
245.15514	18.1
257.18988	29.4
261.37436	9.5
267.17291	19.5
285.18488	63.7
302.22208	16.1
303.19537	24.1
310.12665	11.6
338.16986	19.8
338.22464	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	338.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	10.2
56.96555	22.0
63.99033	3.9
68.99799	7.8
69.03423	14.7
70.06590	8.5
71.04975	6.1
72.08138	8.6
73.06501	3.6
79.05459	6.7
81.03448	4.5
83.04963	3.8
84.04490	6.9
84.08151	8.4
85.02916	19.9
91.05469	13.5
97.02878	12.2
98.97581	16.9
103.05461	5.2
105.07016	7.3
111.04508	4.6
112.07610	7.2
115.05457	13.3
117.07033	14.7
119.04930	5.3
119.08621	4.9
120.08121	5.6
121.06506	17.7
123.04425	40.2
127.03953	6.8
128.06259	8.4
129.07019	38.9
130.05019	4.7
130.08641	6.3
131.04889	5.3
131.08614	5.3
131.96193	5.3
135.04381	3.8
136.11250	4.7
137.05980	8.8
139.03882	8.6
139.05417	5.8
141.06998	15.9
143.04938	12.5
145.06520	29.5
149.06006	11.0
153.01839	55.6
155.04893	10.0
156.03308	25.2
157.06479	43.6
159.08127	4.5
160.05212	12.0
161.06006	42.1
162.36978	3.9
163.03891	4.5
163.07558	27.2
164.07025	6.5
164.10721	34.4
167.04919	9.7
168.03320	6.2
169.06538	11.5
171.04465	5.1
172.07607	3.9
173.05986	39.4
174.04399	23.1
175.07553	36.4
176.07089	10.4
176.12790	4.8
177.05313	6.0
177.06644	17.6
177.09195	4.2
180.02962	6.0
183.04459	12.8
185.05992	37.2
186.04361	31.0
187.07549	15.1
189.05461	40.4
191.07013	44.4
195.04410	6.3
197.06039	8.9
199.03993	6.2
200.07106	4.2
201.05467	28.6
202.08655	11.1
203.03354	3.9
203.07048	100.0
204.05479	16.8
205.08780	5.4
207.06543	7.9
211.03864	7.1
213.05527	24.0
215.07010	31.4
217.05029	39.9
219.01860	6.6
219.06432	8.2
228.06479	8.3
229.04982	32.5
230.05972	4.5
230.08018	19.8
231.06546	31.6
231.55431	4.2
232.09691	7.4
233.08109	73.4
237.02802	7.6
239.03348	11.4
245.04465	6.7
246.07660	8.5
247.06009	14.4
254.39882	4.5
256.06183	7.1
257.04428	17.1
258.07675	12.5
259.06073	27.3
263.05444	12.2
274.07126	14.5
275.05569	22.5
276.08612	12.8
277.07062	59.1
284.05566	5.6
285.04022	8.3
291.05011	12.7
292.08237	25.0
294.06583	4.4
294.09735	12.5
302.06555	9.8
303.04843	9.8
309.06064	12.9
310.38934	4.4
320.07733	17.4
321.06003	20.8
338.05673	7.9
338.08728	32.0
338.17542	8.4
338.59320	6.0
356.06564	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	337.2737
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03933	3.5
55.01865	1.8
55.05512	42.1
57.03152	1.4
57.03436	24.4
57.07076	4.8
57.17670	0.8
65.03940	2.5
67.05507	81.0
68.05829	1.2
69.07068	45.4
69.34219	1.9
69.34625	7.0
69.97963	0.8
71.04984	2.8
71.08607	2.5
79.05497	21.7
81.07057	80.9
82.07416	1.2
83.04971	2.8
83.08617	23.0
85.06543	2.3
85.10181	1.3
91.05488	12.0
93.06491	1.3
93.07051	23.0
95.04954	1.3
95.08608	59.5
96.08933	1.2
97.06526	3.5
97.10168	11.7
99.04480	1.2
99.08096	3.0
105.07029	8.7
107.08593	11.1
109.06542	1.0
109.10165	19.4
111.08088	1.9
111.11708	2.6
119.08596	9.0
121.09427	1.0
121.10153	9.2
123.08136	1.7
123.11709	7.5
131.08499	1.5
133.10139	6.1
135.11688	4.6
137.09641	1.5
137.13260	3.5
147.11665	4.9
149.13266	3.4
161.13232	4.7
163.14833	1.8
175.14844	3.2
245.22708	1.8
263.23703	4.2
294.74872	0.9
337.27356	100.0
338.27606	2.8
344.15967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2737
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03941	2.2
54.87343	0.9
55.01870	1.2
55.05515	34.3
57.03445	20.2
57.07081	6.9
65.03938	3.1
67.05510	84.0
69.07073	46.7
69.15197	10.1
71.04988	1.6
71.08617	1.8
73.06548	1.1
79.05069	1.9
79.05497	22.0
80.24008	0.9
81.07063	77.7
82.07421	1.7
83.04983	2.5
83.08624	19.8
85.06525	1.0
85.10156	1.3
91.05485	14.3
93.07053	20.7
95.04986	1.9
95.08611	61.1
96.08939	2.0
97.06532	4.4
97.10183	11.4
99.08092	1.8
104.67086	0.9
105.04538	1.1
105.07031	10.5
107.08590	11.6
109.06505	1.6
109.10175	23.9
109.10928	1.3
110.10446	1.1
111.08071	3.7
111.11727	2.5
119.08593	8.1
121.10155	8.7
123.11718	10.2
125.09629	1.4
133.10162	8.2
135.11691	5.3
137.13272	3.7
147.11707	5.9
149.13274	2.4
151.14725	2.2
161.13249	4.8
163.14827	3.2
165.16335	1.1
175.14807	1.9
189.16382	1.6
213.22000	0.9
229.44662	0.9
245.22797	3.0
263.23611	5.5
276.84125	1.1
337.27380	100.0
338.27847	2.9
358.63422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
69.57361	3.2
70.92817	5.7
178.21606	3.5
261.00070	3.0
293.58209	3.2
337.08704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2374
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
55.01873	5.2
55.05517	50.9
56.05042	12.3
57.03436	5.5
57.07074	8.1
59.05013	6.3
61.00939	2.7
61.01165	30.4
66.64594	2.9
67.05512	55.7
69.03429	16.8
69.07073	74.7
69.41690	7.4
69.42094	16.8
70.06594	11.1
71.05007	18.2
72.08154	12.1
79.05495	23.9
81.07060	86.9
82.07398	3.8
83.04984	35.6
83.08617	10.0
84.08172	18.0
85.03999	3.4
85.06550	12.4
85.08462	5.4
91.05489	23.3
93.07050	63.4
95.04980	16.5
95.08611	75.8
97.06547	10.6
97.10172	44.7
98.21482	6.9
99.04426	4.7
105.07035	33.4
107.08603	41.4
109.06524	13.5
109.10165	100.0
111.08083	8.7
111.11752	16.0
111.12382	3.6
114.05553	3.7
115.08669	7.4
116.09049	3.1
117.07021	4.6
119.08598	34.1
121.06510	9.5
121.10152	42.0
123.08066	12.0
123.11698	22.1
125.09666	6.8
127.08690	53.9
128.09039	29.6
131.08563	14.7
133.10173	20.3
134.09676	5.8
135.08058	10.8
135.10040	3.6
135.11690	22.7
137.09636	21.5
137.13280	8.0
139.11194	41.9
141.06606	13.4
142.06909	7.1
145.10109	18.1
147.08055	6.4
147.11703	14.1
148.11174	3.1
149.09660	13.4
149.11546	4.8
149.13232	9.3
151.11163	14.9
153.12741	11.2
157.10185	14.6
157.12219	14.2
157.13396	27.2
158.13712	22.9
159.11731	11.8
161.09636	12.8
161.13245	4.6
161.44702	3.6
163.11180	8.7
165.09152	14.8
165.12776	5.6
167.10678	5.2
169.10182	3.1
169.13411	23.9
170.13774	26.4
173.13286	9.0
175.11203	9.4
175.14864	5.8
177.12717	4.0
177.49445	3.2
180.10243	7.1
181.10547	12.4
181.12161	6.9
185.13367	4.3
185.24681	3.3
187.14847	6.7
189.16411	3.8
191.14421	4.5
192.57861	3.4
195.12000	3.9
195.13730	3.3
197.13237	3.7
199.14893	4.2
203.12653	3.2
210.04950	3.0
213.16464	8.4
215.14514	3.3
218.13904	3.8
231.17273	3.2
246.12370	4.6
247.12729	12.6
255.21140	4.6
273.22247	9.7
278.08856	3.4
283.20523	5.1
289.17355	19.5
291.23334	5.2
301.21689	20.0
305.19370	14.8
319.22711	58.7
335.33163	3.4
337.10532	4.5
337.17880	8.6
337.21838	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.217
Annotation	Dendrine
Peak:m/z	Relative Intensity
50.92760	0.3
53.03932	0.6
55.01851	0.6
55.05503	1.3
56.05038	0.5
65.03919	0.5
67.05183	0.4
67.05509	5.9
68.05028	3.2
69.07082	1.6
70.06596	11.7
70.64030	0.9
74.02478	0.4
75.24109	0.3
79.05499	5.3
80.05016	1.3
81.07061	4.9
82.06586	0.4
84.08147	0.3
85.06535	0.5
88.03982	0.3
89.68702	0.3
89.80457	0.3
91.05480	3.3
93.05775	1.4
93.07053	3.5
94.06586	1.5
95.04956	0.6
95.08615	3.0
96.08120	0.5
97.06514	0.8
100.07611	2.7
105.07043	2.1
106.06563	3.2
107.07346	0.6
107.08568	2.0
108.08126	3.0
109.06531	0.4
109.10191	0.7
114.05532	4.6
116.07101	0.4
117.07027	1.1
118.06528	0.9
119.07343	0.6
119.08607	1.4
120.08118	6.0
121.08881	0.4
121.10133	0.9
122.09698	1.4
126.05491	0.3
128.07072	2.5
129.07042	0.4
131.08560	1.4
132.08087	1.0
133.08859	0.9
133.10086	0.5
134.09666	11.4
135.10463	1.9
135.11580	0.4
136.07520	0.3
136.11235	0.4
137.04720	0.5
140.07057	0.5
143.08569	0.4
145.10123	1.0
146.09659	1.2
147.11687	0.7
148.11217	10.7
152.07031	1.0
152.10728	0.7
154.08643	1.6
162.12764	0.7
162.62907	0.3
164.07077	9.4
165.07851	0.7
166.08636	1.0
173.13246	0.7
178.08646	3.2
179.09418	1.0
180.10213	17.4
191.14449	0.4
192.10159	0.8
193.11043	0.8
194.11772	1.0
232.16920	0.4
233.17491	0.3
258.18527	2.4
276.19580	3.7
286.18161	0.4
290.21136	4.2
302.17502	1.1
304.19095	14.5
305.19302	0.3
334.20242	0.4
336.21710	100.0
337.22064	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	7.3
56.04792	1.3
56.05040	19.0
57.07071	1.7
58.06599	1.8
61.01155	40.0
67.05507	5.2
68.05022	1.5
69.05811	1.0
69.07067	1.9
70.06597	7.5
70.95072	2.2
72.08160	15.1
73.02913	3.8
73.06540	1.3
79.05507	4.5
80.05033	1.0
80.59708	0.9
81.07055	3.0
84.04501	8.3
84.07640	1.4
84.08148	27.3
85.04038	1.8
86.09701	2.8
87.01984	1.2
91.05465	2.5
93.07042	2.6
94.06581	1.4
95.04996	1.3
95.08613	2.8
96.04487	1.4
98.06042	2.1
100.07603	1.5
105.07033	1.6
106.06554	3.6
107.08623	1.3
108.08135	1.1
109.06541	1.1
109.10175	1.7
112.11237	1.2
114.05505	1.8
115.08708	15.3
118.06467	1.0
119.06068	6.4
119.08562	1.7
120.08071	3.1
121.10083	1.0
122.09658	1.2
126.05530	7.3
126.83504	1.0
127.08688	100.0
128.07092	1.9
131.08583	1.0
132.04425	2.4
134.09660	4.7
138.05542	4.3
141.06584	19.6
148.11185	5.3
151.82860	1.0
157.13374	64.6
161.10745	1.7
164.07083	3.8
168.06609	1.2
169.13377	64.0
178.08562	2.0
180.10188	9.3
186.07663	1.5
187.13770	1.0
203.11832	1.9
204.08708	4.0
217.13744	5.1
221.37175	1.0
237.42786	1.1
246.12421	21.4
271.99203	0.9
273.42770	0.9
276.19604	2.6
288.17078	30.2
290.21329	1.2
300.20407	1.1
304.19119	8.2
331.67905	1.0
336.17413	10.8
336.21683	55.8
341.51889	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01848	1.5
55.05529	0.7
56.05034	1.9
57.03435	4.8
60.04520	1.9
61.02932	8.4
68.05026	1.0
69.03430	5.1
70.06590	1.7
70.24735	0.7
70.46429	1.3
71.01356	1.5
73.02922	56.6
77.53689	0.8
79.05484	0.8
80.05021	0.9
80.40837	0.8
81.03416	1.9
81.07065	1.3
82.25096	0.7
84.04508	88.7
85.02900	4.7
87.04462	0.8
91.05527	0.9
93.07011	1.2
95.08598	0.8
96.04498	10.7
97.02907	5.0
98.06068	6.7
99.04444	1.0
105.07033	1.0
109.02887	1.9
114.05545	0.9
115.03938	7.9
115.26826	0.7
121.06509	1.1
124.03951	0.7
126.05523	100.0
127.03915	0.9
133.04988	3.2
138.05507	66.2
144.06564	13.5
149.09653	0.8
168.06583	19.1
186.07619	13.5
204.08691	53.5
335.30005	1.1
336.12897	4.3
336.16708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	3.3
55.01869	1.5
55.05518	16.9
57.03195	1.8
57.03445	21.0
57.07084	2.0
60.91431	1.3
65.03949	2.0
67.05511	66.7
69.07072	15.8
71.21542	1.5
79.05500	38.4
81.07063	72.1
83.04964	2.1
83.08622	9.2
85.06496	1.6
86.24433	1.3
91.05484	17.6
93.07051	41.2
95.04978	2.3
95.08614	58.9
97.06518	2.4
97.10177	3.7
99.08089	1.4
105.07043	13.6
105.13418	1.1
107.08611	20.2
109.06516	2.2
109.09479	1.8
109.10166	25.3
111.08080	2.5
117.07026	6.7
119.08591	10.3
121.10162	18.8
123.11729	9.2
131.08601	9.8
133.10138	9.3
135.11694	14.1
137.13257	2.7
141.70953	1.2
145.10117	6.9
147.11743	6.2
149.09560	1.3
149.13287	11.4
159.11714	5.5
161.13277	6.8
163.14842	5.4
173.13278	5.2
175.14821	1.5
177.16374	1.4
179.73978	1.2
187.14743	2.9
190.42636	1.2
243.21106	7.7
248.19424	1.1
261.22183	11.9
317.24847	2.0
319.96552	1.5
335.25836	100.0
336.26071	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2583
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03954	3.3
55.05519	25.5
57.03444	19.2
57.07069	3.7
65.03940	2.8
67.05511	86.8
69.07072	21.0
70.69315	4.5
71.04995	2.7
77.03905	1.2
79.05500	51.1
81.03446	1.6
81.07063	80.9
83.04982	1.9
83.08639	8.0
85.06535	2.4
91.05488	24.5
93.07052	49.3
95.04955	4.0
95.08613	64.4
97.06552	3.1
97.10156	3.0
99.08083	1.7
105.07041	11.9
107.08601	26.4
109.06522	3.2
109.10172	27.8
111.08102	3.5
113.66337	1.3
117.07043	4.0
119.08589	12.7
120.90019	1.3
121.10154	20.4
123.11723	10.2
131.08594	7.3
131.27364	1.4
133.10143	8.4
135.11734	12.6
136.34386	1.5
137.13295	2.5
145.10152	6.4
147.11714	5.6
149.13252	5.9
151.14932	1.6
159.11674	3.0
161.13255	6.6
163.14842	4.2
173.13237	3.9
175.42078	1.4
177.16467	1.8
187.14911	2.5
239.14923	1.3
243.21208	2.9
261.22079	9.2
264.93478	1.6
313.82983	1.6
335.25839	100.0
336.26184	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.04115	1.2
52.22231	1.1
53.03942	2.9
55.05513	23.4
57.03440	24.5
57.07068	1.5
65.03932	3.9
67.05505	100.0
69.07061	18.1
71.04996	2.5
71.16795	1.9
71.17142	1.4
79.05022	1.4
79.05491	50.2
81.07056	84.2
82.07400	1.6
83.04991	2.3
83.08617	8.7
85.06533	3.0
91.05482	26.4
93.06487	2.5
93.07048	48.8
95.04961	3.4
95.08607	65.1
97.06514	3.3
97.10149	4.3
101.05982	1.2
105.04529	1.6
105.07033	15.6
107.08601	24.0
109.06494	2.0
109.10155	31.1
111.11703	1.2
113.02473	1.1
117.07021	4.9
119.08582	12.2
121.10145	22.9
123.08111	1.7
123.11701	10.5
131.08578	8.2
133.10124	10.6
135.11696	14.1
137.09596	1.5
137.13266	3.8
137.60866	1.2
145.10098	5.8
147.11676	6.4
149.13318	7.9
159.11693	5.4
161.13284	4.8
163.14777	4.5
173.13245	5.7
175.14789	2.1
186.75578	1.3
187.14757	2.5
243.21060	4.4
260.01254	1.4
261.22015	9.1
265.97971	1.4
335.25797	98.1
345.70212	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.01638	1.1
51.75115	1.1
53.03935	2.4
55.05519	16.3
57.03196	1.6
57.03439	19.9
57.07058	1.9
65.03926	2.8
67.05510	66.0
68.32205	1.1
69.07074	12.4
71.08608	1.1
72.82597	1.1
76.89240	1.2
79.05496	37.8
81.07061	68.5
83.08620	8.0
83.09038	1.3
91.05485	16.8
93.07050	42.8
95.08614	57.9
97.06524	2.9
97.10171	2.7
99.08081	1.7
105.07044	14.6
107.08602	26.1
109.06500	1.4
109.10160	23.6
117.07013	6.3
119.08585	10.9
121.10150	20.0
123.08114	1.2
123.11695	9.7
129.05479	1.9
131.08594	9.3
133.10126	8.9
135.11708	14.7
137.13251	3.4
145.10092	7.3
147.11726	6.6
149.13268	10.8
159.11736	6.0
161.13245	6.8
163.14833	4.3
173.13229	6.1
175.14824	2.7
177.16452	2.0
179.14307	1.4
187.14856	4.4
201.16367	1.8
213.60698	1.2
237.18573	1.4
243.21059	9.1
261.22189	11.1
282.60919	1.3
291.50336	1.3
316.25842	1.1
317.24814	3.4
335.25818	100.0
336.26187	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03939	4.8
55.01862	1.5
55.05513	27.3
56.49256	1.2
57.03444	27.4
65.03934	2.8
67.05508	99.7
68.08461	1.3
69.07072	16.9
69.45080	6.9
69.45488	2.4
71.04998	3.3
77.03961	1.3
78.25407	1.2
78.46469	1.2
79.05496	52.5
81.07059	89.9
83.04981	1.8
83.08633	8.6
85.06542	2.3
85.78759	1.3
87.49530	1.2
91.05486	23.2
93.07051	58.1
95.04969	4.8
95.08612	74.5
97.06532	2.8
97.10146	1.7
98.21152	5.3
105.04528	1.9
105.07041	14.1
107.08601	29.9
108.59072	1.2
109.06521	1.4
109.09474	2.0
109.10171	28.8
111.08132	2.0
117.07013	5.3
119.08594	14.9
121.10151	20.9
123.08085	2.0
123.11726	9.9
125.09651	2.1
131.08580	9.9
133.10138	11.5
135.11693	15.0
137.13266	3.7
145.10123	8.5
145.28101	1.2
147.11702	7.7
149.13237	7.6
159.11696	5.3
161.13246	4.2
163.14825	3.6
173.13324	6.4
175.14767	2.1
187.14897	2.3
243.21117	5.1
261.22253	9.0
264.76349	1.4
293.40009	1.3
317.24823	3.2
335.25821	100.0
336.26144	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.64577	1.5
53.03930	2.9
55.05521	14.6
55.95809	1.5
57.03439	19.9
57.07060	1.7
61.99907	1.3
65.03944	3.2
67.05505	72.0
69.07072	16.6
71.06323	3.1
75.48573	1.6
79.05494	38.3
81.07058	78.2
83.08624	8.3
88.11185	1.7
91.05479	18.9
93.06487	3.2
93.07043	45.0
95.04958	2.0
95.08610	65.5
97.06530	2.5
97.10181	4.2
99.08105	1.7
105.07036	14.5
107.07974	2.2
107.08604	25.8
109.09393	1.4
109.10156	28.6
117.07045	7.1
119.08591	11.1
121.10155	23.3
121.10953	3.1
123.11722	8.6
125.09686	2.0
129.05470	3.0
131.08568	10.1
133.10136	11.8
135.11685	21.7
137.13187	2.5
145.10118	8.0
147.11681	5.9
149.13278	10.3
159.11690	6.9
161.13229	7.2
163.14784	5.7
173.13254	5.5
175.14868	2.7
177.16347	2.6
187.14854	4.3
206.21120	1.4
243.21112	10.4
261.22153	13.1
309.67407	1.8
317.24738	3.8
335.25803	100.0
336.26175	3.3
359.01541	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.05521	4.8
56.50225	1.0
65.03945	5.4
66.04667	1.0
67.05513	8.1
69.03429	3.3
69.07072	100.0
70.02937	4.9
78.82309	0.9
79.05505	4.8
80.05006	1.1
81.07061	12.0
82.06615	1.3
83.04984	4.5
85.06557	1.8
91.04235	1.5
91.05481	4.0
92.05011	3.6
93.07046	6.0
94.06549	4.8
95.04961	4.7
95.08619	7.6
97.06536	17.1
97.10179	1.2
99.04517	1.2
99.08136	1.0
105.07045	5.8
107.08594	4.4
109.02898	1.2
109.06525	4.6
109.10172	5.0
111.08003	2.0
117.07012	1.8
119.08563	3.6
121.05241	1.7
121.06493	2.7
121.10156	3.5
122.06036	8.0
123.08082	2.4
123.11736	2.0
124.07574	2.0
125.06003	1.5
125.09609	1.8
127.11218	1.0
129.06953	1.4
131.07315	1.2
131.08540	1.2
133.10143	5.0
135.08066	3.5
135.11829	2.0
137.05989	4.2
137.09590	3.5
138.05521	5.3
139.07524	1.3
140.07048	8.9
143.08530	1.8
144.08012	2.1
145.08852	3.4
145.10133	3.3
146.09691	2.7
147.11670	2.3
148.03932	4.1
148.87164	1.1
149.09593	2.2
150.05513	76.9
151.03990	1.1
151.11189	2.6
152.03398	1.3
157.08868	2.9
157.10124	2.0
159.08075	1.7
159.11687	2.3
160.07620	1.6
161.08354	3.1
162.09151	3.5
163.11313	1.8
164.03418	1.8
165.04163	1.3
166.05011	27.1
167.10664	1.3
168.06616	1.3
172.07626	2.1
172.11200	4.9
173.08340	1.8
174.09160	1.8
174.12787	6.7
175.11243	1.4
176.03445	6.6
178.04990	3.2
185.08423	1.8
187.14841	1.5
188.10718	1.8
189.16315	1.5
190.08669	1.4
190.12280	4.6
191.08134	1.8
192.08517	2.0
194.04546	3.6
198.07861	1.8
200.10759	7.1
202.12311	8.3
213.12910	1.1
216.10199	4.3
218.11775	31.0
228.10245	16.3
229.13332	2.4
234.11302	3.3
243.11375	1.3
244.09746	2.5
246.11299	24.1
253.09598	1.1
255.11244	1.6
256.09824	2.4
271.10779	5.1
272.09167	4.3
273.12314	3.7
274.10730	3.4
287.10330	7.5
289.11859	9.9
290.10019	1.4
291.13348	1.6
292.13748	1.9
299.10321	6.2
299.20029	2.2
315.53369	1.0
317.11316	25.0
317.21088	4.5
335.12323	17.7
335.18631	1.2
335.22177	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	335.2584
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03942	5.7
55.01868	3.1
55.05518	18.8
55.16400	1.4
57.03448	21.7
57.07067	5.3
65.03940	5.0
67.05510	92.1
69.06729	1.8
69.07072	17.8
69.76734	2.4
69.77143	5.3
71.05000	1.9
71.08621	1.3
73.02908	1.7
79.05499	57.8
81.03459	2.1
81.07065	94.2
82.63439	1.3
83.04995	2.0
83.08625	8.5
84.95461	1.4
85.06586	2.3
91.05494	26.6
92.83620	1.4
93.07050	62.2
95.04960	4.1
95.08615	84.9
95.93820	1.3
97.06532	4.2
97.10158	4.0
98.21445	1.7
99.08105	1.9
105.04549	2.7
105.07041	21.9
106.41470	1.5
107.08605	36.3
109.06554	1.7
109.10166	33.2
111.08098	2.2
117.07025	8.8
119.08598	15.8
121.10158	29.3
123.08083	3.5
123.11725	11.4
125.09632	2.1
129.05486	4.5
129.06964	1.8
131.08572	16.7
133.09421	1.3
133.10172	14.2
133.86975	1.5
135.08133	1.9
135.11703	20.7
137.13272	4.4
137.18716	1.5
145.10114	11.3
147.11713	9.0
149.09628	2.1
149.13231	12.5
151.14792	2.7
155.07082	2.8
159.11688	11.7
161.13271	8.4
163.11150	2.4
163.14803	7.9
165.12816	1.5
173.13213	7.9
175.14871	3.3
177.16432	2.7
180.56784	1.5
187.14822	4.2
193.94333	2.0
201.16434	1.9
217.19495	1.8
233.22444	1.7
243.21123	22.5
244.30725	1.5
245.22809	2.4
261.22198	17.8
261.78372	1.5
269.87442	1.4
275.36212	1.5
277.21674	2.1
279.23239	1.9
291.04819	1.6
317.24854	7.1
335.21722	7.1
335.25827	100.0
335.29437	3.6
336.25955	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05498	1.1
65.03943	0.9
67.05502	1.2
69.03447	0.8
69.07050	0.9
70.06601	1.5
71.51061	1.2
79.05484	1.3
81.03418	0.8
82.06587	0.8
83.08630	0.9
84.04489	1.2
84.08135	0.8
86.09709	1.1
91.05490	1.6
93.07063	1.0
94.06558	1.5
95.04977	1.4
96.04500	1.3
107.04939	0.8
108.04469	1.1
110.06018	0.9
117.07035	1.4
118.06538	3.2
120.04460	1.8
121.02900	1.3
122.06044	2.8
124.03948	1.8
124.07571	1.2
128.06244	1.7
129.07037	1.8
130.06644	0.9
132.08115	2.6
136.07594	6.1
138.05533	0.8
139.03967	1.1
143.07245	1.0
144.08113	4.6
146.06044	7.2
146.09689	1.4
147.06471	1.1
148.03880	1.1
149.02345	3.6
150.05479	0.8
151.03882	1.1
153.01855	8.6
153.05531	1.6
154.06589	0.8
155.07336	1.2
156.08069	2.1
158.05986	1.5
158.08391	2.7
158.09631	2.4
159.04367	0.8
160.07597	3.4
162.05550	1.2
164.07056	2.7
165.05539	0.8
166.04942	1.1
167.03348	0.9
169.07629	1.0
170.06105	0.9
170.09671	3.9
171.09212	1.1
172.07605	7.4
172.09950	2.2
172.11259	1.5
173.10757	3.4
174.07951	1.5
174.09196	2.6
175.08699	5.4
180.07915	0.8
182.08298	1.4
184.07614	10.1
185.08342	1.1
186.03130	0.9
186.07834	1.0
186.09195	6.4
187.08664	2.7
187.12317	5.5
188.07112	10.2
188.09424	2.2
188.10867	1.1
189.07430	2.6
189.10255	3.7
197.10779	2.2
198.09163	12.0
199.08708	3.8
200.07082	10.8
200.09401	5.7
200.10562	1.4
200.10997	1.6
201.10248	12.3
202.08675	1.9
210.07722	1.0
211.06786	1.1
211.08681	5.4
212.07065	2.7
213.06578	2.8
213.10165	1.8
214.07077	1.5
214.08701	3.2
214.10706	1.3
215.08231	2.3
215.11787	18.2
216.08784	1.1
217.09721	8.0
225.10263	4.7
226.08743	5.8
227.08167	9.0
228.04414	0.9
228.06535	3.5
228.08762	2.5
229.04938	2.0
229.09749	25.0
239.08177	2.4
241.09729	3.0
242.10484	3.1
243.07655	1.1
243.11302	28.1
244.09659	1.2
245.09233	28.7
245.36629	0.9
253.09731	7.5
254.08127	1.4
256.08411	1.1
257.04474	1.9
257.09195	11.8
258.10007	2.2
259.10825	7.1
261.07574	1.3
261.12360	1.9
271.10794	100.0
273.12454	4.4
275.10098	1.2
281.09256	12.5
287.10291	30.4
287.13525	1.5
289.07175	4.3
289.11865	14.9
299.10278	29.7
304.10883	0.9
305.11325	8.2
317.11374	26.3
335.03958	5.4
335.08414	1.6
335.12378	11.6
335.15970	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
53.10675	0.9
54.27432	0.8
55.01877	1.2
55.05514	6.9
57.03428	2.1
61.02923	2.7
67.05511	1.3
69.03439	7.7
69.07088	1.1
70.06583	3.0
70.10275	3.3
71.04980	3.6
73.02930	1.1
79.05495	3.5
81.03418	2.8
81.07055	18.9
82.06580	22.1
83.08619	8.5
84.04480	0.9
84.08142	2.3
85.02912	15.8
85.06542	3.9
87.04471	1.5
91.05481	2.1
93.07036	1.8
95.04976	2.2
97.02892	5.6
97.06518	1.7
98.06055	2.1
98.09691	3.7
99.04439	2.2
99.08076	2.6
108.08133	4.6
109.02882	1.4
109.06524	16.0
111.07985	1.2
126.09159	52.7
127.03903	3.3
127.07556	17.4
130.70493	1.0
136.07582	2.2
136.73325	1.0
137.05954	2.2
141.10278	2.0
145.04941	2.1
153.01826	6.5
154.08633	67.2
155.07033	35.8
158.99591	0.9
165.05525	1.1
172.09691	100.0
221.88322	0.9
253.00032	1.2
316.10083	1.3
316.13721	1.1
317.11429	0.9
334.14294	1.4
334.17862	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01877	1.1
55.05513	7.8
55.92697	0.9
56.05027	3.9
56.05837	1.0
56.96552	1.6
57.03436	2.1
57.07059	2.8
58.02938	0.8
60.04528	100.0
67.05183	1.0
67.05508	13.6
68.05846	0.8
69.03414	2.7
69.07069	9.3
69.28617	2.1
69.29021	6.6
70.06577	1.9
71.04985	0.9
71.08627	1.6
72.04493	2.9
74.06082	2.2
79.05501	8.4
81.03384	1.6
81.07056	14.7
81.43654	0.8
82.06576	1.3
82.07388	1.0
83.04945	1.2
83.08612	6.6
84.04506	1.1
85.02895	3.4
85.10195	1.3
90.05531	1.4
91.05502	6.3
92.05819	1.1
93.07048	7.9
94.07339	1.1
95.04968	2.4
95.08612	15.9
96.08117	1.4
97.06477	1.6
97.10153	3.6
97.10706	0.8
98.97590	1.2
98.98457	1.7
102.05534	2.6
105.07040	5.8
106.07357	2.0
107.08585	3.8
109.06520	1.2
109.10155	7.9
111.11726	1.3
116.07118	1.3
117.06997	1.3
119.08582	3.3
120.08875	1.6
121.10159	3.1
123.11688	2.3
128.92854	0.9
131.08537	1.0
133.10141	2.7
134.10374	1.3
135.11720	2.8
140.49544	0.9
145.10155	1.1
147.11710	1.2
149.13193	1.0
151.07535	1.6
160.12018	1.2
161.13289	1.0
221.22672	1.1
239.23720	2.4
250.25432	1.0
260.21085	1.4
262.25394	1.9
263.23975	1.0
267.69757	0.9
280.26367	9.0
298.27386	16.5
310.01056	1.0
316.28455	43.7
317.28922	1.1
325.18387	2.1
334.24741	4.8
334.29507	34.5
352.84985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.9
57.03444	2.4
57.07071	3.5
61.50579	1.2
66.14473	1.1
67.05494	3.1
69.07114	1.7
69.64104	8.5
70.06586	2.4
71.08626	1.4
79.05502	4.5
81.07056	3.4
83.04959	1.9
87.04470	3.0
88.07649	2.5
91.05479	4.2
93.07049	3.0
95.08617	2.5
98.97871	1.1
98.98473	32.1
100.98923	1.4
102.09168	1.8
105.07025	4.2
107.08577	2.2
117.07046	2.6
117.27758	1.2
119.08567	5.4
121.10214	2.3
129.06956	1.3
131.08594	1.6
133.10153	3.1
135.11690	2.5
145.10147	1.5
147.11682	1.7
153.01926	1.4
159.11691	2.4
161.13263	2.0
176.98877	2.9
193.05003	1.4
195.09987	1.6
241.19659	1.4
271.28250	2.0
315.19501	3.5
333.06421	2.6
333.16986	4.9
333.20404	100.0
333.24698	5.7
333.32034	4.2
334.20511	2.1
334.29745	4.0
359.14487	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45496	0.7
57.03428	0.9
63.53043	0.6
67.05496	1.4
69.07047	0.6
69.87744	0.6
70.67820	2.0
71.54473	0.6
79.05483	1.3
81.07044	1.5
91.05473	2.1
93.07062	1.9
93.23760	0.7
95.08604	1.2
98.98477	9.8
100.98915	0.9
105.07044	2.1
107.08573	0.7
119.08588	2.2
121.10162	0.8
131.08560	0.7
133.10130	1.2
137.05952	1.1
145.10138	1.1
147.11708	1.0
149.02370	1.0
159.11748	0.7
167.30759	0.8
176.98882	1.6
193.05037	0.6
218.94208	0.5
220.83017	0.6
221.11462	0.8
227.02264	0.7
235.13133	0.9
259.20364	0.7
319.28302	0.7
333.20392	100.0
334.20801	1.9
334.29446	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.0
57.03432	1.8
62.32586	0.9
67.05493	3.0
69.07085	1.3
70.40485	2.4
70.40875	1.8
79.05494	3.6
81.07056	3.8
83.08593	1.0
91.05479	4.7
91.33065	0.9
93.07056	4.0
95.08617	4.3
98.98471	15.9
105.07027	7.5
105.65157	0.8
107.08615	1.7
117.07026	1.4
119.08571	4.0
121.06570	1.0
121.10142	2.5
121.42731	0.9
131.08591	2.8
133.10176	5.8
135.11697	1.1
143.08598	1.0
147.11674	1.7
159.11711	2.3
173.13303	1.7
176.98917	1.0
181.04942	1.0
186.44409	0.8
209.29515	0.8
235.13066	1.1
241.19553	1.3
259.20541	1.6
294.95300	0.9
333.20398	100.0
333.24054	6.7
334.20517	1.1
349.38412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
54.35572	1.7
55.05519	11.2
57.03437	15.5
57.07077	3.5
58.93268	1.4
67.05507	24.3
69.07071	11.2
71.50906	2.4
71.51298	1.9
77.03384	1.5
79.05066	2.6
79.05503	32.1
81.03438	2.5
81.07063	25.5
83.08633	3.5
91.05489	30.2
93.07047	36.6
95.08605	18.8
97.06499	1.7
97.10191	1.6
98.98480	22.5
100.98882	2.0
103.05470	1.7
105.04514	1.7
105.06317	2.3
105.07037	47.4
107.08601	20.6
109.02857	1.5
109.06555	1.5
109.10167	6.8
117.07022	13.4
119.08590	30.7
121.06506	1.5
121.10159	14.7
123.08061	1.6
123.11744	1.8
129.05489	3.7
129.07014	4.3
131.08595	12.1
133.10133	23.7
135.11696	9.4
138.28609	1.7
143.08574	5.5
145.10092	10.7
147.11696	12.5
149.02399	2.3
149.13226	3.5
157.10107	4.7
159.11691	11.6
161.13246	8.1
163.14716	2.0
171.11752	5.8
173.13249	7.4
175.14766	2.2
185.13264	4.9
187.14761	2.0
193.04988	5.5
199.14836	3.3
210.64110	2.2
217.19481	1.9
224.65614	3.5
225.15846	1.7
241.19589	11.1
244.07513	1.6
259.20490	10.1
266.82602	1.5
289.60263	1.5
315.23080	3.1
333.20367	100.0
333.24286	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.3
55.93859	0.8
57.03430	2.0
57.07042	1.0
67.05493	3.6
69.07078	1.8
71.52039	1.5
77.14619	0.9
79.05486	3.1
81.07049	3.9
83.08692	0.9
88.07619	1.2
91.05495	3.1
93.07050	3.5
95.08605	3.7
98.98476	12.7
105.07048	6.6
107.08609	2.4
109.10133	1.5
117.07027	1.8
119.08607	2.7
120.66714	0.8
121.10139	2.4
126.55378	1.0
129.06999	0.9
131.08554	2.3
133.10127	3.1
135.11780	1.8
143.08463	1.0
145.10048	2.1
147.11707	2.2
149.02298	2.3
153.01759	0.9
159.11702	2.0
161.13232	1.5
173.13272	1.2
176.98962	1.4
187.62035	1.5
193.05023	3.7
199.88203	0.9
224.65544	0.9
241.19576	2.2
242.24872	0.9
247.13118	3.5
259.20676	1.4
262.10941	1.2
302.24130	3.1
308.19217	0.9
315.19473	8.3
315.23080	1.4
333.20407	100.0
333.24661	6.5
334.10559	1.6
334.20398	1.3
334.29678	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	333.0604
Annotation	Allopatuletin
Peak:m/z	Relative Intensity
54.02259	0.3
65.03947	0.3
67.01852	0.4
68.99793	1.2
70.49627	1.0
80.95161	0.3
81.03416	0.4
98.98490	0.5
108.02099	0.7
108.29369	0.3
109.02898	2.2
111.00815	1.7
121.02854	0.4
121.06491	0.5
123.04404	0.7
126.03116	0.7
137.02353	1.8
138.03111	0.4
139.03909	3.1
147.04482	0.3
152.01047	0.5
153.01837	12.8
161.05914	0.3
165.01837	2.5
166.02660	1.1
167.03415	2.5
179.03410	1.1
183.02957	0.9
188.04787	0.3
189.05466	0.9
193.05013	0.7
199.03943	0.5
203.03516	0.6
205.04996	1.3
206.05815	1.6
207.02841	0.4
208.03658	2.6
213.05421	0.4
216.04277	1.6
217.04973	4.6
219.02887	11.0
229.04988	0.4
231.06590	0.4
231.82791	0.3
232.03714	0.5
233.04491	5.2
234.05229	1.3
241.05020	0.5
243.02931	1.7
244.03661	4.1
245.04474	6.8
247.02394	0.7
255.02864	0.7
259.06052	1.1
261.03940	2.5
262.04761	0.7
269.04654	0.3
272.03171	1.2
273.03900	5.4
277.07040	1.4
287.05518	1.4
289.03445	4.4
290.04233	3.8
300.02567	0.6
301.03445	9.1
304.05902	0.6
315.05045	0.5
318.03723	24.6
319.04163	0.4
333.06055	100.0
334.06238	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0607
Annotation	Laricitrin
Peak:m/z	Relative Intensity
52.37452	0.4
57.03431	0.4
61.18182	0.4
62.21209	0.4
67.05504	0.6
68.99799	0.7
69.03419	0.8
71.50732	0.6
79.01802	0.5
79.05489	0.6
81.03420	1.6
81.07040	0.8
83.04985	0.4
85.06555	0.5
86.09714	0.6
91.05481	1.4
93.07035	0.9
95.04971	0.9
95.08627	0.7
98.98476	4.4
105.07045	0.8
107.08595	0.6
108.02098	1.5
109.02885	4.6
109.06539	0.6
110.06063	1.0
111.00837	0.6
111.04453	0.9
118.76719	0.5
119.04931	0.5
119.08615	0.7
121.06539	0.6
121.10194	0.7
122.06070	0.8
123.04414	0.6
127.03949	0.6
131.08614	0.5
133.10127	0.6
135.08064	0.7
137.02377	2.0
139.03929	2.0
145.10181	0.5
147.04446	0.6
149.09702	0.7
151.03978	0.5
151.11174	0.6
151.28777	0.4
153.01843	15.4
153.05562	0.6
159.08047	0.6
163.04002	0.6
164.06969	0.6
165.01863	1.2
165.05502	1.3
166.02716	1.1
167.03465	0.9
167.07045	1.3
177.05507	1.1
179.03433	1.0
193.04959	0.5
203.03659	0.5
205.04993	1.9
206.05742	2.6
206.07387	0.4
208.03615	3.6
216.04251	1.2
217.05011	2.7
219.02913	16.8
220.03578	0.6
232.03804	0.5
233.04454	9.4
234.05292	2.5
243.02890	2.4
244.03757	4.7
245.04488	4.5
247.02312	1.1
255.02737	0.5
261.03943	3.8
262.04742	1.0
272.03101	0.5
273.03894	2.6
276.27539	0.4
277.07104	0.7
278.63708	0.4
289.03442	4.4
290.04211	5.9
300.02979	0.5
301.03461	7.7
311.24588	0.5
315.09613	0.7
315.13492	1.3
318.03726	53.9
319.04001	0.9
333.06073	100.0
334.06351	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1909
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03946	3.6
55.01872	5.2
55.05502	6.1
57.03442	11.7
57.07081	15.2
59.05003	12.6
61.02915	9.2
67.05505	14.6
69.03425	31.2
69.07063	15.0
70.00205	5.8
70.00613	5.2
70.06577	2.2
71.04977	9.1
73.02923	3.6
73.06544	2.1
75.09966	2.0
77.14707	2.4
79.05489	3.0
81.03416	12.6
81.07032	6.4
83.08587	7.4
84.04510	3.6
85.02905	81.2
85.06535	12.2
86.09697	3.8
87.04477	3.2
91.03938	3.7
91.05455	6.7
93.07047	8.8
95.04955	9.8
95.08607	53.1
95.89803	1.9
97.02895	21.1
97.06532	7.3
98.98460	23.0
99.04459	7.2
99.08100	20.5
105.07011	4.7
107.04929	2.5
107.08611	12.3
109.02863	9.7
109.06526	11.2
109.10166	25.8
111.08105	12.7
111.11751	4.0
113.09650	55.5
119.08572	3.0
121.06475	2.6
125.09584	2.4
127.03906	17.1
127.10310	3.3
127.11198	50.7
135.08055	4.7
135.11679	20.8
137.05887	2.8
137.09616	3.1
137.13194	2.7
139.03963	11.7
145.04964	19.1
149.09631	2.9
153.01833	9.8
153.12758	100.0
155.14272	8.2
163.03886	6.2
163.06107	2.9
164.41554	2.5
165.05470	8.6
171.13812	49.8
177.05515	2.8
177.12733	3.3
181.04965	4.6
213.14876	3.2
237.29916	2.3
272.11679	3.0
287.10489	2.1
301.11905	20.2
315.09686	3.4
315.13626	2.3
319.81229	2.3
326.60660	2.2
333.05972	4.1
333.10492	3.6
333.14334	8.2
333.18723	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0606
Annotation	Laricitrin
Peak:m/z	Relative Intensity
53.03937	0.3
65.03938	0.5
67.01858	0.3
68.99802	1.5
69.03429	0.3
70.79089	0.3
70.79438	0.6
81.03427	0.3
91.05509	0.3
95.04953	0.2
95.08598	0.2
98.98468	0.3
107.04955	0.3
108.02104	0.7
109.02892	2.4
110.06091	0.3
111.00802	2.0
111.04426	0.3
115.05452	0.3
119.04963	0.3
121.02879	0.5
121.06483	0.4
123.04430	0.7
126.03159	0.5
133.87460	0.2
135.08148	0.2
137.02376	1.8
137.05965	0.5
137.09579	0.2
138.03134	0.5
138.06387	0.3
139.03909	3.6
140.04710	0.3
147.04402	0.4
151.03873	0.4
152.01027	0.5
152.14333	0.5
153.01833	12.5
153.05458	0.4
153.14633	0.3
156.38617	0.2
161.06047	0.3
162.27055	0.2
165.01860	3.2
166.02620	1.2
167.03410	3.0
167.07031	0.5
171.04449	0.5
175.03877	0.3
177.05510	0.3
178.02632	0.3
179.03400	1.1
180.31282	0.2
183.02895	1.3
185.41443	0.2
188.04688	0.5
189.05515	1.3
193.05002	1.1
194.02042	0.3
195.02962	0.5
199.03917	0.4
203.03395	0.6
205.04987	1.1
206.05762	1.0
207.02914	0.4
208.03644	1.6
210.01686	0.3
216.04172	1.4
217.04974	6.2
219.02893	8.6
220.03677	0.3
221.04445	0.3
227.03433	0.4
229.04784	0.3
230.46132	0.2
231.06467	0.4
233.04439	3.8
234.01596	0.4
234.05214	0.9
241.04974	0.6
243.02882	1.7
244.03690	3.3
245.04457	8.1
246.05055	0.4
247.02464	0.8
248.29137	0.2
249.04044	0.3
255.02859	0.6
259.06000	1.3
261.03964	2.1
262.00333	0.2
263.11774	0.3
272.03061	1.2
273.03946	5.8
277.07028	1.4
287.05508	2.1
288.19690	0.4
289.03473	4.4
289.06775	0.3
289.19962	1.7
290.04242	2.6
300.02667	0.8
301.03439	10.5
304.05753	0.9
315.05139	0.8
318.03714	15.4
319.03870	0.3
333.06058	100.0
333.22232	1.5
334.06372	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94803	0.9
53.03922	1.3
55.01876	1.1
57.03419	1.5
57.96794	0.8
60.04510	1.0
61.02909	2.3
61.72659	1.3
68.04996	1.0
68.87494	0.8
69.03416	3.7
69.07079	1.6
70.06583	1.6
71.50309	1.0
72.08147	2.1
79.05479	4.1
80.56013	1.0
81.03415	2.5
81.07054	3.0
82.06589	1.0
82.07372	0.9
83.04999	1.3
84.04507	5.9
84.08124	2.5
85.02908	11.5
86.09720	2.3
88.03989	2.8
91.05508	1.2
93.07049	0.9
94.06586	1.2
95.04974	1.4
96.08121	1.0
97.02888	4.3
98.98461	14.9
100.07657	0.9
103.05478	1.1
104.25951	0.9
105.07014	1.0
105.50642	0.9
107.04962	100.0
108.08133	5.2
109.02850	1.1
110.91702	0.9
120.08080	1.1
121.06509	3.7
124.07545	5.3
127.03867	1.0
130.06538	4.8
132.04430	1.8
135.04427	19.7
137.05922	1.2
139.03928	1.4
145.04964	1.4
146.06020	3.2
152.07062	3.6
152.10721	1.6
153.01878	2.6
153.05473	49.4
157.07639	5.8
158.06061	1.9
170.08072	1.9
170.11739	3.0
175.08623	1.6
181.06041	2.3
188.03741	1.9
190.05182	1.0
195.08081	1.8
203.08211	1.3
223.07582	6.2
269.08087	3.4
277.59473	1.0
284.95114	1.1
286.11224	2.0
296.10120	1.4
314.11740	3.8
315.09561	1.9
315.13629	0.9
332.13751	5.2
332.25348	1.1
333.10794	1.3
333.14761	1.1
351.04724	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.222
Annotation	Tricalysiamide B
Peak:m/z	Relative Intensity
65.03922	0.8
67.05521	0.7
67.39080	0.6
68.05025	0.9
68.99798	0.7
70.06605	0.9
70.66604	1.8
79.05460	0.8
80.05030	4.0
80.77119	0.5
81.07056	1.8
82.06581	1.0
91.05484	22.1
93.07022	1.0
95.08619	2.0
96.08133	1.0
98.09708	0.6
98.98461	3.1
107.08561	0.9
108.08147	1.2
109.02895	0.7
109.06550	1.1
110.06024	1.1
110.09702	2.3
113.77170	0.6
119.04955	13.5
120.08132	0.6
121.08879	0.8
122.06079	0.6
122.09685	2.0
123.04472	1.0
123.10460	0.8
136.11230	3.1
137.05983	64.3
138.06325	2.0
139.03972	0.8
140.07069	1.0
150.12805	3.1
151.07538	2.0
152.07953	0.7
152.14349	32.7
153.01820	3.0
164.14394	1.0
167.03429	1.1
194.11830	2.5
196.05885	0.9
196.08369	0.8
196.17039	1.6
196.21666	0.7
200.32813	0.6
216.10172	3.5
217.04988	1.9
218.11723	1.0
219.02786	1.6
226.06888	0.9
234.11142	0.6
234.14795	1.1
245.04518	1.0
246.14825	0.7
254.08971	0.9
256.10455	1.4
258.14832	1.3
272.07465	1.1
273.03775	0.9
286.09109	1.4
286.17975	0.6
288.19592	95.6
289.03503	1.3
289.19800	1.6
301.03427	2.3
302.04071	0.6
305.43484	0.6
314.08478	3.6
317.06198	2.1
318.03726	3.8
332.08798	5.1
332.22208	100.0
333.02014	1.0
333.06042	21.8
333.22638	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.05516	5.1
56.05038	3.2
57.03440	1.7
57.07076	1.0
60.04532	100.0
63.74029	0.7
67.05513	11.1
69.03430	1.1
69.07078	5.9
69.28807	0.8
70.06569	0.9
70.07119	3.0
71.04993	1.4
72.04533	2.5
73.02959	0.8
74.06092	2.4
79.05502	7.2
80.05038	1.9
80.61838	0.7
81.07062	11.8
82.06602	2.2
83.04980	1.3
83.08627	1.6
86.06087	0.9
90.05555	1.7
91.05492	7.5
93.07060	6.4
94.06596	1.6
95.04963	1.4
95.08611	11.1
95.21432	0.7
96.08120	1.3
97.06554	0.8
97.10196	1.4
98.97574	0.9
98.97717	0.9
98.98473	18.5
105.07052	2.8
107.08613	4.1
108.08137	1.6
109.06535	0.7
109.10173	4.5
117.07025	1.7
119.08625	3.4
121.06509	2.1
121.10168	2.8
123.08083	1.0
123.11749	2.0
130.08675	0.8
131.08600	1.4
133.10172	1.1
135.11714	2.8
136.06210	2.3
137.06009	1.8
145.10167	1.4
147.04382	0.9
149.13263	0.9
151.14890	0.9
153.01855	1.4
159.86137	0.8
161.06078	1.0
161.13254	0.9
164.07086	12.0
164.08411	0.9
173.13290	0.8
176.98926	0.8
205.19496	0.9
248.23882	1.2
260.23700	1.9
261.54184	0.7
266.24960	0.9
268.17175	0.7
278.24786	7.2
278.79047	0.7
296.25867	13.4
314.26947	17.9
332.08563	1.3
332.22437	6.7
332.27982	53.7
333.06015	0.8
333.28436	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44114	1.6
55.05513	7.8
57.03429	5.7
57.07081	58.0
67.05505	15.1
67.10436	1.5
68.25940	1.7
69.07072	10.2
70.06593	3.1
71.08636	37.0
76.91857	1.4
79.05485	2.8
81.07069	17.1
83.08622	15.1
85.10191	20.2
89.06035	1.8
91.05484	3.6
92.45737	1.5
95.08614	33.5
97.10185	8.4
98.98472	100.0
99.11759	1.6
100.98920	3.2
105.07028	2.8
109.10178	11.5
111.11746	2.4
119.08573	2.4
121.26179	1.7
123.11722	6.2
125.13275	1.8
127.04005	2.4
145.10103	2.2
166.14957	1.7
174.99242	4.0
176.98938	5.0
239.23822	8.8
241.91983	1.8
257.24680	3.0
270.39157	1.6
313.27411	31.9
331.22662	2.2
331.34100	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	332.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01878	0.8
57.03432	1.5
61.02919	3.0
65.03933	1.1
67.05497	3.0
69.03442	6.9
70.06593	3.4
70.34940	2.7
73.02902	1.9
79.05475	1.0
81.03417	2.4
81.07045	0.8
82.06573	1.2
84.08139	1.6
85.02913	6.0
86.09666	0.8
87.04465	2.0
87.75497	0.6
93.05819	0.9
96.08131	1.0
97.02902	4.0
98.98500	0.8
99.04462	0.9
106.06560	5.3
108.08122	100.0
109.02880	0.7
111.38480	0.8
114.87473	0.7
121.06509	2.1
123.06834	4.8
124.07595	17.4
127.03923	2.0
134.05008	1.2
134.06024	20.8
136.07588	13.5
138.09206	0.8
142.29633	0.8
152.07072	86.0
154.08679	1.5
159.97150	0.7
170.08124	21.0
197.05371	1.0
212.07640	1.7
230.08879	0.9
235.06702	0.8
254.94995	0.7
314.12347	40.5
332.13446	53.6
350.13034	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	332.1341
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03949	1.4
56.69726	0.5
57.03436	1.5
61.02925	1.9
65.03944	0.8
67.05495	2.3
67.32037	0.6
67.56230	0.5
69.03432	6.5
70.68693	1.5
70.69067	0.5
71.05019	0.7
73.02924	1.5
75.71860	0.5
79.05503	2.1
81.03421	1.7
81.07065	0.9
84.08148	0.5
85.02914	6.7
86.64767	0.5
87.04456	1.3
91.03954	0.6
91.84490	0.5
96.08147	1.0
97.02902	3.6
106.06572	4.5
108.08125	100.0
109.02948	0.8
109.94264	0.5
121.78597	0.4
123.06818	3.8
124.07598	18.7
124.47923	0.5
127.03916	1.1
134.06027	21.2
136.07588	13.8
136.08493	0.3
152.07072	92.9
153.07404	0.6
154.08661	2.0
170.08138	26.2
204.76222	0.6
254.10336	0.6
314.12344	34.8
315.12543	0.6
332.13425	52.1
333.13708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
52.55444	2.5
55.05508	13.2
57.03433	8.8
57.07080	100.0
66.24391	2.0
67.05512	23.2
69.07069	21.6
70.06597	3.8
70.42862	1.9
71.08636	64.2
75.04479	3.1
81.07060	36.1
83.08620	23.6
85.10184	34.5
88.07632	3.9
95.08612	47.7
97.10172	14.5
98.20779	4.4
98.98473	52.2
99.11754	2.7
106.08676	2.6
109.10155	21.1
111.11738	2.7
123.11741	11.0
137.13252	6.3
151.14827	2.3
174.99234	2.8
176.98936	4.5
202.75999	2.5
207.71306	2.1
216.60522	2.0
225.18089	2.4
231.34286	2.1
239.23720	17.0
257.24722	5.0
262.36743	2.2
313.27390	60.3
329.94943	2.2
331.22812	2.9
331.34085	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	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83300	1.8
55.05516	12.8
56.11386	1.9
57.03427	6.4
57.07082	100.0
67.05164	3.4
67.05503	23.1
69.07076	16.8
69.58202	5.8
69.58633	6.9
70.06586	7.8
71.08639	73.9
75.04465	2.7
77.00223	2.0
81.07066	35.3
83.03257	1.8
83.08624	22.4
85.10192	36.6
88.07625	10.8
89.07977	2.5
91.44246	2.2
95.08614	52.9
97.10177	13.7
98.21094	6.8
98.98473	46.8
99.11725	3.5
106.08697	7.2
109.10162	22.7
111.11688	3.5
117.09167	2.7
123.11691	12.2
125.13268	2.3
137.13260	4.8
165.16417	2.6
176.98953	4.4
177.67003	2.1
221.22668	2.6
239.23749	18.2
257.24713	6.7
282.48209	2.1
313.27393	55.2
313.32864	4.0
331.34021	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01873	1.2
55.05495	1.4
59.45916	0.5
61.49470	0.5
65.03931	1.0
65.68687	0.6
67.05486	1.1
69.03405	2.3
69.07041	0.7
69.90568	2.9
71.01338	0.6
71.04973	0.7
72.08131	0.6
77.03957	0.6
79.05466	2.8
81.03399	1.1
81.07045	2.5
83.04962	0.9
85.02883	1.2
91.05487	15.1
93.07022	2.2
94.04146	1.9
95.04976	3.9
95.08604	0.8
97.02850	1.4
97.06503	1.1
98.44558	0.6
98.98471	38.7
100.98885	0.7
103.05429	2.3
105.06999	2.7
107.04968	4.2
107.08572	1.1
109.02849	1.0
109.06541	3.6
109.10171	0.7
111.04460	1.1
111.08073	1.3
115.03854	0.6
115.05454	1.3
116.99503	0.9
117.07009	1.5
119.04245	0.9
119.04956	9.2
119.08526	1.6
121.06481	4.7
122.03659	4.9
123.04411	1.2
123.08029	1.6
125.06077	0.7
127.03879	0.9
128.06187	2.1
129.07007	7.5
131.04916	3.7
131.08574	1.1
133.06456	2.0
133.10092	0.7
134.03679	0.8
135.04309	0.8
135.08072	4.5
136.05164	2.3
137.05983	38.6
139.07521	0.9
140.04913	1.5
143.04906	0.9
143.05988	0.8
145.06438	1.4
146.03593	1.2
147.08066	0.8
149.05965	6.3
151.03856	2.7
151.07550	44.4
152.06184	1.8
153.01836	3.2
153.05449	0.8
153.06865	1.0
154.06541	1.0
155.05022	0.7
155.06046	6.5
157.06450	5.5
160.05232	0.9
161.05991	7.4
161.09613	1.7
163.03885	1.0
163.07533	9.6
165.05576	1.8
165.06975	6.4
165.09096	2.1
166.07800	1.0
167.06047	2.6
167.08557	8.7
168.06741	0.9
169.06477	1.1
169.07640	8.0
170.06010	0.8
170.73500	0.7
174.06737	2.7
174.99176	2.0
175.07503	2.3
176.98875	2.5
177.06953	1.4
177.09044	1.1
178.07742	3.0
179.03510	1.1
179.06042	6.5
179.08543	1.1
180.06937	0.7
181.06418	2.1
181.07753	0.8
181.10117	0.7
182.05844	1.0
182.07243	2.3
183.05531	5.4
185.07095	2.8
189.05443	1.2
189.09122	15.4
193.06241	1.9
193.07570	3.9
193.10115	3.3
194.05971	1.0
195.03979	1.0
195.05499	14.0
195.08009	12.6
196.06372	3.5
197.05640	1.3
197.07382	4.4
198.05473	1.8
202.07816	1.1
203.08621	1.0
205.06366	0.9
206.07198	0.7
207.05560	1.5
207.08057	1.1
207.10107	3.1
208.06133	0.9
209.05827	1.4
209.09567	2.0
209.11644	1.6
210.06696	4.7
211.04984	1.6
211.07289	1.1
211.08922	0.8
212.08299	2.6
213.06635	7.4
216.08391	0.8
217.04950	9.6
219.07994	1.1
220.08864	0.8
221.05789	2.6
221.07071	5.1
221.09572	4.5
223.05038	2.1
223.07501	5.8
224.08301	1.1
225.06528	9.5
225.09039	6.0
227.07108	1.3
227.10657	14.3
229.06216	4.8
235.07552	0.8
235.10960	0.7
237.06633	1.7
237.09061	1.5
238.06337	2.5
238.09769	0.8
239.04549	0.7
239.08383	4.6
239.10446	1.1
240.07599	1.0
241.06116	0.7
241.08464	1.5
241.12231	1.5
243.07843	1.2
244.08018	1.2
245.04465	18.3
245.33008	0.6
249.06480	2.6
249.09056	2.9
252.07858	1.2
253.06027	2.1
253.08565	7.8
253.12253	9.2
255.07512	1.3
255.10144	14.7
265.06061	1.2
267.07581	5.3
267.10184	2.0
269.08005	2.3
269.11826	0.8
270.08957	1.2
271.07150	16.3
272.10379	1.8
273.03973	19.8
277.06033	3.0
281.11737	3.2
284.10330	0.9
285.08594	22.4
285.11285	6.5
287.05710	1.1
287.12790	22.8
288.06100	1.1
295.07104	12.2
301.03430	46.2
302.03635	1.7
313.08206	47.8
313.13791	6.4
314.08478	1.3
315.05075	3.9
316.05786	53.5
317.05881	1.1
317.31686	0.6
331.08215	100.0
332.08395	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	331.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15654	2.0
56.78389	2.2
70.76446	5.0
70.76785	2.9
79.05482	3.8
81.07095	2.8
84.08179	2.4
91.05490	36.5
95.04987	8.7
95.08594	2.6
98.98474	100.0
103.05461	6.9
105.07016	4.0
107.04939	9.6
109.06522	5.0
117.07011	3.0
119.04960	20.1
119.20222	2.2
121.06503	7.3
122.03622	8.3
123.04385	3.2
128.06238	4.9
129.07028	19.4
131.04910	6.5
133.06454	4.4
135.08044	9.9
137.05989	82.9
145.06480	3.4
146.07375	2.9
149.05986	16.4
151.07552	90.8
152.06194	5.2
153.01831	8.4
157.06482	14.9
161.05927	15.4
161.09666	3.6
162.06720	2.9
163.07542	22.6
165.07007	10.0
165.09103	4.4
167.08604	16.4
174.06723	5.8
174.99210	2.5
175.07541	5.8
176.98906	6.3
179.03398	14.7
179.08879	3.8
181.06483	4.5
182.07332	4.2
183.07927	2.4
189.09125	30.4
193.06474	6.9
193.10164	7.4
194.07394	4.6
195.08083	25.1
197.05957	6.4
205.06537	2.6
207.10139	4.8
209.06096	3.3
209.09665	3.5
210.06776	8.7
211.07512	4.4
212.08327	5.8
220.08875	2.7
221.06000	10.4
221.09584	13.4
223.07574	11.9
225.09059	5.6
227.10704	29.7
237.09109	4.1
238.05984	5.7
240.07870	4.9
249.09120	7.3
253.08607	14.6
253.12291	14.9
255.10147	29.0
267.10092	4.5
269.08093	4.3
270.08820	2.6
272.10394	3.1
281.11737	5.2
284.10242	3.7
285.11176	19.8
287.12787	46.7
298.11877	3.3
313.07764	2.7
313.14395	9.1
331.13251	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	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32581	0.4
55.01860	1.2
55.05489	0.7
59.72797	0.4
65.03944	0.4
67.05518	0.9
68.99775	0.9
69.03409	1.3
71.04993	0.6
71.23897	0.6
71.24228	0.4
79.05479	1.3
81.03411	1.0
81.07044	1.0
83.04969	0.9
83.08619	0.4
85.02872	0.5
89.39770	0.4
91.05483	8.7
93.07030	0.8
94.04176	1.3
95.04941	1.3
95.08605	0.6
97.02902	0.8
98.98476	15.3
99.04454	0.9
100.98875	0.6
103.05431	0.7
105.07027	1.7
107.04951	2.4
107.08591	0.5
109.02887	0.5
109.06493	1.6
111.04430	0.8
111.08090	0.8
113.09605	0.4
115.05444	0.6
119.04945	4.8
119.08590	0.7
121.06513	2.4
122.03611	1.9
123.04410	0.6
127.03896	1.1
128.06210	1.9
129.07018	4.3
129.75084	0.4
131.04916	1.3
131.40378	0.5
135.04427	0.7
135.08025	1.8
136.05197	0.9
137.05983	20.1
140.04913	1.1
141.06975	0.6
145.06438	1.1
146.03590	0.5
146.07097	0.5
147.04388	0.6
147.08003	0.5
149.05997	3.3
151.03967	2.0
151.07558	23.9
152.06186	0.8
152.07846	0.5
153.01820	2.4
153.07007	0.5
154.06535	0.6
155.04849	0.6
155.06021	3.0
157.06487	3.2
161.05046	0.4
161.06004	4.3
161.09561	0.6
162.06709	0.9
163.07582	5.9
165.05688	0.7
165.07008	3.0
165.09111	0.9
167.06000	1.3
167.08549	3.8
168.06850	0.5
169.06429	0.8
169.07634	4.9
172.29076	0.4
173.04489	0.7
173.09647	0.6
174.06709	1.6
175.07555	1.4
176.98901	1.1
177.05444	0.6
177.06921	0.5
177.09119	1.2
178.07773	2.2
179.03442	1.2
179.06068	3.1
179.08514	0.7
181.06386	0.7
181.07713	0.7
182.05905	0.6
182.07222	0.8
183.05551	3.4
183.09233	0.5
185.07130	2.0
187.07466	0.5
189.05453	1.3
189.07394	0.6
189.09114	9.7
191.08530	0.7
193.07845	2.6
193.10161	1.8
194.07414	0.6
195.05531	8.6
195.08029	5.8
196.06390	2.2
196.08656	0.5
197.07317	4.1
198.05505	0.9
199.04971	0.5
202.07733	0.5
203.08539	1.0
205.06487	0.4
206.07425	0.8
207.05489	0.9
207.10109	1.2
208.06189	0.7
209.07274	0.9
209.09589	1.1
209.11597	0.7
210.06683	2.6
211.05011	1.4
211.07181	0.6
211.08885	0.8
212.08333	1.4
213.06563	4.9
213.08762	0.7
217.04996	9.6
219.08107	0.5
221.05679	0.4
221.07033	3.9
221.09608	3.1
223.05278	0.9
223.07541	3.1
224.08272	1.0
225.06567	6.3
225.09064	2.7
227.10658	7.4
227.12744	0.9
229.06253	2.8
231.02939	0.7
237.06641	1.0
237.08904	0.9
238.06438	1.4
238.09760	0.5
239.08324	4.4
240.07854	0.7
243.07585	0.5
245.04491	20.1
249.06532	1.7
249.09158	1.6
251.07132	0.5
253.06059	1.2
253.08591	3.2
253.12219	3.6
255.07480	0.7
255.10181	8.4
256.08243	0.5
257.05179	0.5
267.07574	3.6
267.10266	1.6
269.08109	1.1
269.11530	0.5
270.08920	0.5
271.07187	9.1
272.10400	0.5
273.03967	22.2
274.04318	0.7
277.06036	1.8
281.11700	1.2
285.08624	12.7
285.11301	4.4
287.05548	0.7
287.09601	0.7
287.12796	11.1
288.06284	0.9
295.07187	8.0
299.05383	1.0
300.02518	0.7
301.03448	47.0
302.03772	1.3
313.08206	30.5
313.13702	3.2
314.08145	0.6
315.04999	4.1
316.05795	53.1
317.06055	1.6
331.08167	100.0
332.08459	2.0
332.22339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22244	0.8
55.05506	2.6
57.07082	1.1
65.03944	1.0
67.05493	2.2
67.54793	0.8
69.03412	1.0
69.07065	2.1
70.05501	3.2
70.05912	1.7
70.06570	1.7
72.08134	2.3
79.05500	2.4
81.07045	4.1
83.04969	3.4
84.08114	1.0
91.05484	18.7
93.07025	2.2
94.04151	2.0
95.04993	4.5
95.05495	0.9
95.08607	2.4
98.98470	100.0
100.98866	1.6
101.06016	1.7
103.05448	4.7
105.07014	4.2
107.04947	5.7
107.08585	1.2
109.02858	1.1
109.06508	4.2
109.10152	1.5
111.04427	2.1
115.05422	1.3
117.07035	1.7
119.04969	13.4
119.08625	1.2
119.73013	1.1
120.08071	1.0
121.06535	6.1
122.03659	6.4
123.04444	1.8
128.06245	3.5
129.05533	1.4
129.07005	10.8
131.04913	4.2
131.08588	2.4
133.06496	2.1
135.04396	1.6
135.08041	4.5
136.05165	2.0
137.05981	51.4
139.03886	2.5
140.07079	1.3
141.07025	1.4
143.04913	1.2
145.06445	3.4
147.04437	1.4
147.08043	1.6
149.05975	7.1
150.06664	1.5
150.09126	2.7
151.03951	3.3
151.07550	63.6
151.09309	5.0
152.06152	1.5
153.01880	4.8
153.06956	1.9
155.06027	4.0
155.07185	0.9
155.08484	1.4
157.06551	6.2
159.08089	1.3
161.05995	8.7
161.09605	2.6
163.07558	15.5
165.05623	2.3
165.06995	8.1
165.09109	4.3
166.07732	1.6
167.07236	1.9
167.08549	10.6
169.06432	2.3
169.07646	2.0
174.06775	3.6
174.43822	1.0
174.99243	2.8
175.07516	2.8
176.98920	6.0
177.06990	3.0
177.09000	1.2
178.07770	4.4
179.03412	9.8
179.06001	2.9
179.08499	2.5
181.06459	4.0
182.07236	1.9
183.05486	1.8
189.09102	20.4
191.08377	1.1
193.06487	3.5
193.10132	5.2
194.07275	2.2
195.05534	5.9
195.08084	16.4
196.06300	1.9
196.08844	1.4
197.05737	1.6
197.07246	1.7
202.07687	1.0
203.08511	1.9
206.07425	1.3
207.08170	1.8
207.10155	3.8
209.09602	1.7
210.06702	6.1
211.07513	2.3
212.08334	2.9
213.06628	4.2
220.08890	1.1
221.05728	5.6
221.09474	7.2
223.05270	1.5
223.07530	8.0
224.08189	2.1
225.06619	3.1
225.09088	6.7
226.10254	0.9
227.07115	1.7
227.10663	18.7
229.06061	3.1
231.08049	1.2
237.09123	1.3
238.06311	3.8
238.09785	1.3
239.08269	2.1
239.10472	1.7
240.07903	1.9
249.09087	3.5
252.07771	1.9
253.06139	1.9
253.08554	10.1
253.12257	8.6
255.06430	1.4
255.07336	1.6
255.10172	21.3
257.04730	1.2
267.07578	2.5
267.10248	3.8
269.08093	3.6
269.11551	1.8
270.08844	1.2
271.07086	6.7
271.09927	1.5
272.10498	2.2
277.05920	1.6
281.11789	4.5
285.08606	12.8
285.11319	10.2
287.09628	2.1
287.12781	24.5
289.11935	2.4
295.07126	4.0
313.08252	26.7
313.11469	1.6
313.14420	4.8
313.28308	1.9
331.04611	1.9
331.08997	12.9
331.12476	2.3
331.15707	1.7
331.19531	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.0
55.01854	1.3
55.05506	1.4
58.64499	0.8
63.09325	0.8
66.71715	0.9
67.05489	1.5
68.93311	0.9
69.03419	2.0
69.07064	1.5
70.06589	1.9
71.05013	1.1
71.51836	1.4
79.05488	4.2
81.07053	3.3
83.04976	1.6
91.05485	20.8
92.31894	1.0
93.07029	2.6
94.04167	1.7
94.36926	1.0
95.04988	5.9
95.08597	2.2
97.88677	0.9
98.98472	100.0
100.98885	2.7
103.05461	3.0
105.07037	4.9
107.04964	5.0
107.08585	2.5
109.02854	1.0
109.06509	3.4
109.10115	1.6
111.04429	1.6
114.41714	1.0
115.05501	1.4
116.99525	1.3
117.07002	2.7
118.03134	0.8
119.04944	12.6
119.08601	1.3
121.06503	5.0
121.10124	1.1
122.03645	4.7
123.04414	1.4
123.08035	2.6
123.11665	1.6
127.03867	1.4
128.06223	3.0
129.07021	10.6
131.04926	4.0
131.08539	2.0
133.06480	2.2
133.10149	1.6
135.04434	1.5
135.08049	4.2
135.11684	1.4
136.05205	2.0
137.05988	54.4
137.09605	1.1
139.03905	2.0
143.04912	1.1
145.06483	2.6
146.07301	1.0
147.04398	2.0
148.05109	1.3
149.06035	9.0
149.09633	1.1
151.03899	3.8
151.07549	66.0
152.06233	3.4
153.01819	3.9
153.05577	1.1
153.06918	1.9
154.07835	1.6
154.79988	0.9
157.06480	7.4
158.30214	0.8
159.08017	1.6
161.05997	10.4
161.09663	3.0
162.06804	0.9
163.03920	1.4
163.07565	16.8
165.05475	6.0
165.06999	9.3
165.09126	3.2
166.07803	2.4
167.07188	1.1
167.08530	11.1
169.06451	2.2
171.08105	1.1
174.06799	4.3
174.99222	3.3
175.07524	3.6
176.99020	6.4
177.05498	1.8
177.06973	1.2
177.09039	1.8
178.07736	3.8
179.03398	2.7
179.08485	2.1
181.06503	2.9
181.26738	0.9
182.07251	2.3
183.08038	1.6
184.08824	1.1
187.07570	1.3
189.09109	22.7
190.23222	1.0
191.06940	1.7
191.10385	0.9
192.09280	1.0
193.06480	4.7
193.10172	4.9
194.07249	2.0
195.05533	1.3
195.06157	1.3
195.08066	18.9
196.08759	1.7
197.05919	4.8
197.09541	1.7
199.14911	1.0
202.07797	2.0
203.08557	2.8
205.06491	1.3
207.08098	1.5
207.10123	2.7
209.05959	1.6
209.09631	2.7
210.06769	8.1
211.07494	2.9
212.08308	3.6
221.06012	8.7
221.09523	7.0
223.07556	9.0
224.08246	2.8
225.05434	1.3
225.09055	7.1
227.07185	2.0
227.10687	20.6
234.06883	1.3
237.08990	2.2
238.06207	4.3
238.09911	2.2
239.07002	1.7
239.10730	1.1
240.07773	3.4
249.09151	5.0
252.92812	1.0
253.08643	10.2
253.12230	9.3
255.10132	20.8
267.10132	4.1
269.08139	3.8
269.11758	1.7
270.05511	1.0
270.08713	1.7
272.10486	2.2
281.11700	3.5
284.10428	1.3
285.08542	1.2
285.11270	14.3
287.12793	28.2
313.07999	4.0
313.14288	6.2
313.17560	1.3
315.05045	3.6
331.04404	1.9
331.08319	6.0
331.11880	3.1
331.15302	3.5
331.18881	1.6
349.12643	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.6
55.01876	2.8
60.04527	3.8
65.03944	1.8
67.05506	4.4
69.03442	3.1
69.07066	1.8
69.31451	3.1
69.31870	5.5
70.06602	1.5
70.16194	1.1
71.04993	1.0
72.08157	1.0
75.58885	0.9
79.01826	1.1
79.05499	4.0
81.03436	1.4
81.07061	5.0
85.02920	1.4
85.06550	1.2
87.79407	1.0
88.23712	0.9
91.05493	23.9
93.07053	3.1
94.04182	2.8
95.04961	5.0
95.08603	3.0
97.06567	1.1
98.21500	2.3
98.98475	100.0
100.98914	2.5
103.05474	4.7
105.07030	6.3
107.04946	5.7
107.08608	2.4
109.02917	1.2
109.06538	3.1
109.10165	2.5
111.04463	2.4
111.08072	1.3
115.05458	1.8
117.07021	1.7
119.04958	16.7
119.08599	2.0
119.98226	1.0
121.06514	6.2
122.03660	6.2
123.08089	1.2
127.03952	1.3
128.06255	2.5
129.07011	12.5
131.04980	5.7
131.08604	1.8
133.06479	3.0
135.04369	1.4
135.08063	6.4
136.05205	2.8
137.05989	57.8
139.03987	1.4
140.05009	1.8
143.04942	1.7
145.06496	3.0
146.03644	1.6
147.04443	1.4
149.06004	9.5
151.03906	4.3
151.07559	67.5
152.06235	3.6
153.01877	8.4
153.05463	1.4
153.07018	1.8
155.06142	5.0
157.06548	8.6
158.07263	1.2
161.05989	10.3
161.09654	2.8
163.03932	1.7
163.06296	2.0
163.07559	18.3
165.05716	2.0
165.06998	10.1
165.09149	3.6
166.07803	2.6
167.06041	1.5
167.08571	12.8
169.06396	1.5
169.07635	4.2
170.05916	1.7
174.06801	5.2
174.99263	4.3
175.07571	2.8
176.97638	1.1
176.98878	6.6
177.06966	1.5
177.09070	2.3
178.07768	4.1
179.03450	9.3
179.06053	3.8
179.08591	2.5
181.05037	1.2
181.06482	3.6
181.10114	1.3
182.07356	2.8
183.05557	3.8
184.08940	1.2
185.07111	2.7
187.07625	1.4
189.09129	22.8
191.08626	1.2
192.09419	2.0
193.06282	4.9
193.10179	5.8
194.07310	1.6
195.05554	11.7
195.08054	18.0
196.08820	1.5
197.05876	2.8
197.07368	2.0
197.09596	1.1
199.07585	1.3
203.08572	1.1
206.07178	2.1
207.08264	1.9
207.10213	3.6
209.05853	1.5
209.09618	2.4
210.06721	7.6
211.05220	1.0
211.07289	2.0
212.08400	3.7
213.06584	4.2
221.06012	4.6
221.07405	1.3
221.09514	7.7
223.05293	1.6
223.07582	10.0
224.08328	2.4
225.06607	6.5
225.09142	9.0
227.07108	2.0
227.10655	22.8
229.06128	3.8
235.07393	1.4
237.09148	2.5
238.06346	3.4
238.09914	1.6
239.08051	3.6
240.07985	2.5
241.06104	1.3
241.08586	1.5
241.12474	1.6
249.09219	3.0
252.07896	1.3
252.99722	1.5
253.06200	2.2
253.08546	11.0
253.12178	12.5
255.10202	22.1
267.07623	2.9
267.10303	3.8
269.08173	2.3
269.11798	1.7
270.05472	1.2
270.08661	1.7
271.07184	10.2
272.10452	3.1
277.05911	2.3
281.08765	1.2
281.11816	4.1
284.10553	1.6
285.08664	17.2
285.11340	12.1
287.05380	1.2
287.12823	26.1
295.07285	6.1
313.08215	39.3
313.11215	1.5
313.13885	7.0
315.04843	6.1
316.05692	1.5
331.08737	20.3
331.12003	1.6
331.15585	2.1
331.20810	1.9
331.26645	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1025
Annotation	32142-31-7
Peak:m/z	Relative Intensity
50.90063	0.6
62.34954	0.5
67.01868	1.2
67.05506	0.9
68.99785	0.6
69.03429	0.8
70.06581	3.8
71.50212	0.8
72.08137	1.1
80.49382	0.5
81.07049	0.7
82.34541	0.5
83.85007	0.4
84.08134	0.7
85.02888	1.4
86.09704	0.6
87.05620	0.5
91.05479	1.8
94.06574	0.9
95.04953	2.0
97.02887	0.8
98.98470	25.3
100.98856	0.5
109.02859	0.6
116.04973	0.7
118.06565	0.8
119.04922	1.3
119.73705	0.5
121.06514	0.8
122.06009	2.4
123.04436	8.0
127.03951	3.1
129.06992	0.7
130.06532	0.5
131.04955	0.5
137.05989	3.2
140.07072	4.6
141.07918	0.6
144.04488	1.4
146.06030	0.6
151.02748	1.0
151.03914	15.2
151.07541	3.7
153.01837	1.1
157.06500	0.5
160.07912	0.5
161.06049	0.6
163.07587	1.1
165.07059	0.8
167.08548	0.6
169.04970	100.0
172.03934	4.8
174.99200	0.6
176.98932	2.1
179.03423	1.8
189.09135	1.7
190.04996	15.1
192.06589	0.7
195.08054	0.9
201.09833	0.8
221.05965	0.7
221.09662	1.0
223.07480	0.5
227.10695	1.4
238.15977	0.5
255.10004	0.6
267.10114	0.5
287.12796	1.5
289.11823	0.8
313.11545	0.9
314.19409	0.8
324.64569	0.4
331.04520	1.4
331.12415	2.2
331.17123	1.0
331.22354	0.7
331.28073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0816
Annotation	Dillenetin
Peak:m/z	Relative Intensity
53.96328	0.4
60.04509	0.5
67.05492	0.9
69.03427	0.8
73.79234	0.4
81.07053	0.9
84.08136	0.5
85.02899	0.7
91.05477	5.2
93.07005	0.7
95.04976	1.0
98.98475	19.8
100.98882	0.6
103.05447	1.1
105.07027	1.2
107.04922	1.1
109.06509	1.0
114.51483	0.4
115.05479	1.0
117.27036	0.4
119.04936	3.5
121.06498	1.9
122.03632	0.9
128.06171	0.8
129.07010	2.3
131.04932	0.9
131.08487	0.6
135.08035	1.0
137.05986	13.6
140.04945	1.9
141.07028	0.5
145.06433	0.6
147.04425	0.6
149.05989	2.7
151.03841	1.3
151.07555	16.5
152.06146	0.6
153.01801	1.8
153.05556	0.7
154.06488	0.5
155.06023	3.9
155.71283	0.4
157.06483	2.7
161.06007	2.8
161.09601	0.7
163.07565	4.1
165.05634	0.7
165.06987	2.9
165.09100	1.1
167.06009	1.7
167.08604	3.2
168.06767	0.5
169.07614	6.8
173.04459	1.2
174.06744	1.3
174.99211	0.6
176.98912	1.3
177.09105	0.5
178.07750	1.2
179.03360	1.4
179.06046	3.9
180.06848	0.6
181.07675	0.9
182.05960	0.8
182.08536	0.9
183.05528	4.1
183.09233	0.8
185.07112	2.4
189.05408	1.5
189.09113	5.1
193.07805	2.9
193.10075	1.2
195.05562	11.3
195.08005	3.6
196.06310	2.7
197.07249	4.1
198.05428	1.1
201.38823	0.5
203.03508	0.6
203.08488	0.5
207.05469	1.3
207.10144	1.0
208.06332	0.7
209.07195	1.0
210.06633	1.1
211.05000	1.4
211.08733	1.0
212.08501	0.7
213.06630	5.8
217.04970	8.7
221.07048	5.1
221.09639	1.7
223.05034	1.5
223.07510	2.2
224.08176	0.9
225.06564	6.3
225.09061	2.2
227.07097	0.5
227.10638	4.8
229.06143	2.5
237.06499	1.5
237.08900	0.6
238.06181	0.4
239.08237	4.3
241.06088	1.0
241.08592	0.4
243.07652	1.1
245.04489	18.7
249.06543	2.4
249.08984	1.0
251.36230	0.5
252.07904	0.6
253.06010	2.4
253.08604	2.6
253.12177	3.2
255.10156	6.0
257.05444	1.0
265.06094	0.8
267.07587	4.1
267.10220	1.1
269.05441	0.9
269.11734	0.7
271.07184	10.8
272.10236	0.8
273.03946	18.1
277.06116	2.3
281.11594	1.3
285.08661	14.8
285.11319	2.5
287.05536	0.7
287.12790	7.1
288.06223	0.9
295.07147	8.8
299.05432	1.2
301.03448	41.0
302.03534	0.8
313.08191	36.7
313.14249	2.8
314.08347	0.8
315.05069	3.6
316.05777	48.9
317.05966	0.7
331.08203	100.0
332.08417	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0928
Annotation	Bibsanin
Peak:m/z	Relative Intensity
52.86823	0.8
53.50382	0.9
55.01885	1.2
58.26756	1.2
60.04512	1.0
63.30381	0.9
66.47496	0.8
67.05489	1.8
69.03429	2.3
70.91890	0.9
71.51473	1.4
72.93388	1.0
75.17781	1.1
79.05489	1.3
81.07030	2.4
91.05494	7.1
93.07002	1.5
95.04970	1.9
95.08579	0.9
98.98473	81.3
100.98864	2.3
103.05457	1.9
105.06978	1.7
107.04932	1.6
109.06570	1.3
119.04940	5.6
121.06513	2.4
122.03622	1.7
123.04430	1.1
127.03914	1.0
128.06189	1.8
129.06998	3.0
131.04938	1.6
131.08545	2.3
133.06345	1.1
135.08073	1.2
136.05167	1.2
137.05034	1.6
137.05988	17.9
140.04929	4.0
145.06458	1.6
147.98697	0.9
149.05939	3.0
151.03893	3.4
151.07555	18.5
152.06239	1.0
152.14294	1.3
153.01823	2.1
153.05418	2.0
154.06526	1.2
155.06052	11.4
155.08470	1.1
157.06415	1.7
159.69351	1.0
161.05978	4.9
163.07481	3.6
165.05515	2.3
165.06940	2.4
165.09117	1.8
165.60783	1.0
166.06528	1.4
167.06049	4.9
167.08475	2.4
168.06827	1.9
169.07626	13.2
170.06017	1.2
171.13995	1.2
174.06912	1.0
174.99261	2.7
176.98955	5.1
178.07648	1.1
179.03398	4.0
179.05992	8.8
180.06673	1.4
181.06335	1.3
181.07677	2.2
182.05983	2.5
182.08484	1.4
183.05568	11.4
184.07639	1.6
185.07126	6.8
187.07379	1.3
189.09193	6.1
192.06743	1.2
193.07639	9.6
193.10168	2.4
195.05553	29.5
195.08034	4.2
196.06395	5.1
197.07243	10.2
198.05382	2.3
207.05563	4.3
208.06290	1.4
209.07076	3.7
209.09483	1.6
210.06773	1.8
211.04985	2.8
211.08783	2.4
213.06622	13.3
217.04970	8.4
218.43582	1.1
221.07237	15.1
221.09489	2.9
223.05054	5.2
223.07466	2.4
224.08304	1.6
225.06662	20.2
225.08905	2.7
227.10620	5.7
229.06223	6.5
235.57484	1.0
237.06592	3.8
238.07399	3.3
239.08208	13.1
241.05983	2.8
243.07672	3.1
245.04518	11.9
249.06738	4.7
249.09004	1.5
253.06000	5.7
253.08585	3.3
253.12183	3.4
255.10283	5.8
257.05505	3.1
265.06027	2.7
267.07709	12.6
269.05472	2.5
269.08179	1.8
271.07172	34.9
271.09741	1.8
273.03970	15.3
273.25253	1.1
277.06070	7.0
281.11667	1.3
285.08698	43.3
285.11288	2.6
287.12848	7.8
288.19614	2.4
295.07147	21.5
301.03430	31.0
313.08194	100.0
314.08542	2.4
315.04956	2.7
316.05804	35.8
331.08517	95.4
331.19147	3.1
332.09073	1.1
332.22180	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0814
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
50.07235	0.3
50.32204	0.3
52.10801	0.3
57.03405	0.4
67.05466	0.6
70.06573	0.3
71.17464	0.4
71.17816	0.4
79.05454	0.7
81.07023	0.7
91.05441	1.1
93.07011	1.0
95.04892	0.4
95.08566	0.6
98.98473	27.5
100.98845	0.7
105.07005	0.8
108.02047	0.3
109.10085	0.4
111.07996	0.4
116.99445	0.5
117.06960	0.8
119.08524	0.8
121.06429	0.3
121.10107	0.5
127.03924	0.3
129.06877	0.3
131.08543	0.6
133.10107	0.5
143.08447	0.5
145.10057	1.2
153.01855	2.4
157.10010	0.4
159.08093	0.4
159.11667	0.6
174.99252	1.3
176.98927	2.5
177.69171	0.3
178.02542	0.4
179.03435	1.5
179.07030	0.4
213.05368	0.4
214.06169	0.4
229.04907	0.8
241.04913	0.7
242.05730	4.6
252.99689	0.3
253.04858	0.6
255.02684	0.4
257.04401	0.4
258.05249	6.1
269.04483	0.6
270.05240	13.4
271.05832	0.5
273.03946	2.4
285.03943	1.2
286.04639	1.9
287.05518	6.6
298.04745	0.4
299.05515	1.8
299.08740	0.3
301.03442	3.0
302.04199	4.7
313.03470	3.7
315.04990	58.2
316.05701	6.3
316.09146	0.5
331.08130	100.0
332.08527	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42131	0.5
51.02371	1.2
51.03748	0.7
53.03938	2.5
55.01859	1.1
57.03434	2.1
61.02905	0.7
69.03423	7.2
70.06596	7.5
71.04991	1.6
71.51004	0.9
72.08153	1.5
73.02906	1.0
74.06012	0.6
78.03453	14.3
79.05497	1.0
80.05024	2.2
81.03416	14.4
84.08136	2.0
85.02908	10.0
86.09721	3.2
87.04482	0.8
91.05479	1.2
95.04975	1.0
96.04491	5.8
97.02889	5.6
98.98470	50.8
99.04456	3.7
106.02917	63.8
109.02894	9.0
116.07083	2.1
116.99510	0.9
121.06514	1.2
123.04437	1.1
124.03957	100.0
125.04269	1.4
126.05519	0.8
127.03925	7.1
127.08710	1.1
137.05956	0.8
138.09116	1.1
139.03931	1.1
143.03459	0.8
145.04973	0.8
146.66205	0.8
150.09213	3.2
153.00746	0.7
153.01813	3.9
154.05042	1.3
164.06987	0.9
166.04990	1.3
168.06596	1.6
168.10237	3.0
169.04997	1.0
174.99242	2.1
175.11905	1.0
176.98959	2.5
197.07132	1.6
213.12395	1.2
232.06001	4.2
240.11276	0.7
250.04439	1.4
250.07106	29.5
268.08167	23.0
294.06235	2.4
294.09695	0.8
301.17209	0.9
312.07242	1.3
330.08249	2.0
330.11752	2.6
330.15271	1.2
330.21390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3366
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
55.05495	0.3
57.07079	6.6
58.06586	0.6
59.08707	0.2
60.28424	0.2
60.53965	0.2
62.06076	0.5
69.07072	0.2
69.96500	0.7
70.06593	12.9
71.08633	2.9
73.32030	0.2
74.06085	0.2
83.81584	0.2
85.10179	1.3
86.06049	0.4
88.07632	16.3
91.16695	0.2
98.21400	0.3
98.98455	1.2
102.09187	4.1
104.66492	0.2
106.08669	8.1
146.52213	0.2
185.49365	0.2
286.30865	0.8
312.29791	0.1
312.32596	6.1
330.33655	100.0
331.33902	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0814
Annotation	Dillenetin
Peak:m/z	Relative Intensity
52.08241	0.4
55.01899	0.5
55.05511	0.7
57.03453	0.7
58.76673	0.4
68.99823	0.4
69.07064	0.5
69.39860	3.4
70.06615	0.5
79.05492	0.8
81.07066	1.4
83.08612	0.4
91.05505	0.9
93.07059	0.7
95.08640	0.7
98.98474	48.1
100.98924	1.5
104.41629	0.4
105.07079	1.3
107.08633	0.5
109.02934	0.8
109.10184	0.5
116.99562	0.7
117.07045	1.5
119.08613	1.6
121.06499	0.5
124.05196	0.7
127.03964	0.7
128.06161	0.5
129.07050	0.5
131.08574	1.3
133.10126	0.6
135.04408	0.4
137.05994	0.6
145.10126	3.8
147.11714	0.5
151.03973	1.9
153.01839	3.1
157.10135	0.8
159.11716	2.7
171.11765	0.6
173.13249	0.5
174.99251	1.3
176.98927	3.6
179.03482	2.2
183.11633	0.5
189.05547	0.8
197.13252	0.5
217.04994	7.7
218.05670	0.6
227.03432	0.6
228.04082	0.8
229.04945	1.1
239.17970	0.8
242.05719	0.6
245.04482	14.2
252.99699	0.6
257.04523	1.3
257.19070	0.5
259.05981	0.5
269.04379	0.8
270.05225	0.7
271.06049	1.0
273.03946	13.4
285.03967	1.0
287.05496	3.9
288.06244	2.1
299.05579	0.9
300.02603	2.3
301.03455	26.0
302.04007	0.6
313.08182	0.5
315.01981	0.4
315.04990	17.1
316.05798	68.6
317.06097	0.8
331.08139	100.0
331.19006	1.7
331.22650	3.0
332.08548	1.3
337.42349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69203	0.8
53.98386	0.8
54.61021	0.8
55.05501	2.0
57.03419	1.4
66.91750	1.2
67.05512	4.3
69.07054	4.0
70.56461	1.2
70.56793	2.1
77.84055	1.0
79.05476	3.5
79.92202	0.9
81.07076	4.8
86.67208	0.9
91.05482	2.8
93.07037	2.8
95.08581	2.4
98.09690	2.2
98.98473	100.0
105.07020	2.5
107.08571	2.2
109.10233	1.0
116.99465	1.5
119.08605	1.9
121.10059	1.0
133.10107	1.6
135.11748	1.8
145.10170	1.3
174.99225	7.1
175.99495	1.3
176.98915	2.1
180.08812	0.9
181.12251	1.1
190.66614	1.0
274.95288	0.9
328.18753	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	329.1022
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05506	0.4
66.51283	0.3
70.22208	0.9
70.22593	0.6
73.13230	0.3
81.07059	0.8
85.63187	0.3
98.98475	54.8
109.10175	0.4
116.99523	0.7
137.02318	0.5
137.05971	0.6
148.05231	0.6
149.06064	0.7
151.03896	0.6
167.03407	0.4
174.99251	4.2
176.98915	1.9
181.05028	0.5
195.05579	0.5
243.06548	15.5
251.08195	0.5
252.99762	0.6
256.07285	0.5
257.08020	0.5
261.11337	0.3
265.72711	0.3
266.76166	0.3
267.06720	0.6
270.05356	2.5
271.06030	13.0
279.07532	0.5
284.06915	1.0
285.07590	9.9
286.08380	19.4
297.08514	0.6
299.05609	0.8
311.10223	0.4
313.07068	2.6
314.07867	55.6
315.08392	1.1
325.38376	0.3
329.10217	100.0
330.10510	1.8
346.17911	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2086
Annotation	HU-331
Peak:m/z	Relative Intensity
56.12639	0.8
60.53701	0.7
70.64053	1.9
92.80785	0.8
98.98470	31.9
174.99252	2.4
214.14656	0.7
216.27553	0.8
329.20874	100.0
330.21371	2.2
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
54.55145	0.8
55.05520	2.3
57.07076	0.8
67.05509	3.6
69.07066	1.8
70.56828	1.9
70.57164	1.1
79.05486	2.0
81.07056	4.4
83.08624	1.3
91.05486	1.8
93.07043	1.8
95.08609	1.9
98.09719	1.4
98.98476	100.0
100.98868	1.1
105.07027	2.2
107.08615	1.7
116.99518	2.2
119.08591	1.3
123.08016	1.0
133.10133	1.7
135.11736	1.2
144.98325	0.9
161.13324	0.8
161.92711	0.9
174.99243	8.3
176.98965	2.7
181.12308	1.4
195.13831	1.0
252.99704	1.0
253.49117	0.9
275.20078	1.4
294.50476	0.8
328.18527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.6
53.82490	1.0
55.01873	2.0
55.05515	24.5
57.03435	1.6
67.05515	8.2
69.03432	2.8
69.07080	5.2
71.50789	1.3
79.05502	11.8
81.07069	8.8
83.04971	2.8
83.08629	18.1
91.05475	4.2
93.07047	4.6
95.08591	2.8
97.10176	33.5
98.98476	100.0
105.07039	6.2
107.08599	34.6
109.06533	1.0
109.10190	1.1
111.08092	1.9
116.99541	1.9
117.07034	1.2
119.08570	3.6
125.09639	27.5
131.08557	1.9
133.10092	5.0
135.07997	2.5
135.11665	1.1
143.10704	1.1
145.10138	2.2
147.11673	2.6
149.09660	2.0
153.09084	2.2
159.11626	1.4
171.10258	5.1
171.11522	1.1
174.99213	7.3
176.98964	2.5
181.12326	1.4
189.11235	40.3
189.12947	2.2
236.13615	1.5
249.53357	1.0
257.18893	2.2
275.20102	25.5
309.68588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92162	1.0
53.03940	1.1
55.05508	2.0
60.15028	0.9
67.05497	4.1
69.07060	3.7
70.06579	2.2
70.74665	1.2
70.75003	1.9
79.05493	3.2
81.07051	7.5
91.05479	3.1
93.07047	4.0
95.08607	2.6
98.09700	2.5
98.98473	100.0
99.98898	1.1
105.07034	2.2
107.08582	2.7
112.82250	0.9
114.89821	0.9
116.99516	1.6
119.08588	2.2
123.07944	1.0
125.09653	1.7
131.08496	1.2
133.10196	1.3
135.11754	1.6
147.11693	1.1
161.13339	1.0
174.99240	7.3
175.99626	1.8
176.98889	2.7
177.62515	1.0
181.12283	1.6
199.30022	1.0
239.55345	1.0
275.20062	2.9
275.83588	0.9
310.23904	0.8
324.17392	1.0
328.18875	7.7
349.71011	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
58.06602	1.3
59.05000	2.0
60.67162	1.1
66.50930	1.1
67.09444	1.1
69.03432	4.4
70.06599	3.4
70.63763	3.5
72.08159	2.9
81.03418	3.2
83.44753	1.2
85.02901	6.1
86.09703	2.9
86.75802	1.2
87.04473	1.7
91.05494	1.5
95.04970	2.1
96.04529	1.2
96.08113	1.4
97.02915	2.2
98.98475	100.0
99.04462	1.4
103.03948	10.7
103.07588	1.2
105.03399	67.6
105.07017	1.4
109.02878	1.8
110.06035	2.6
120.08127	4.3
124.03977	1.8
124.07636	2.3
138.05489	4.5
138.09106	2.0
148.07634	2.4
149.05991	12.3
153.01828	2.3
154.04991	8.0
156.06573	1.6
162.05798	2.5
166.08653	54.1
174.99223	7.9
175.99619	2.9
176.99007	2.3
184.06003	1.4
202.10677	1.7
250.99933	1.6
265.12915	1.9
268.11877	1.7
328.10321	2.2
328.13818	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	328.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
58.06602	1.3
59.05000	2.0
60.67162	1.1
66.50930	1.1
67.09444	1.1
69.03432	4.4
70.06599	3.4
70.63763	3.5
72.08159	2.9
81.03418	3.2
83.44753	1.2
85.02901	6.1
86.09703	2.9
86.75802	1.2
87.04473	1.7
91.05494	1.5
95.04970	2.1
96.04529	1.2
96.08113	1.4
97.02915	2.2
98.98475	100.0
99.04462	1.4
103.03948	10.7
103.07588	1.2
105.03399	67.6
105.07017	1.4
109.02878	1.8
110.06035	2.6
120.08127	4.3
124.03977	1.8
124.07636	2.3
138.05489	4.5
138.09106	2.0
148.07634	2.4
149.05991	12.3
153.01828	2.3
154.04991	8.0
156.06573	1.6
162.05798	2.5
166.08653	54.1
174.99223	7.9
175.99619	2.9
176.99007	2.3
184.06003	1.4
202.10677	1.7
250.99933	1.6
265.12915	1.9
268.11877	1.7
328.10321	2.2
328.13818	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	327.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01878	0.6
66.56995	0.5
67.05530	0.6
69.07086	1.1
70.06606	0.9
70.66747	0.7
70.67086	1.1
72.08119	0.7
73.06569	0.8
77.01576	0.5
79.05494	0.9
81.03454	0.8
81.07052	0.6
84.04496	0.5
84.08131	0.5
85.02917	1.3
86.09740	0.7
87.04476	1.8
88.31522	0.5
89.06037	73.0
91.05486	0.8
93.03422	1.7
93.07067	0.9
95.04974	1.3
98.98473	100.0
105.03426	0.7
105.07071	0.8
106.07350	0.5
107.07060	1.2
107.08748	0.4
109.02836	0.7
109.06504	0.5
111.04444	1.0
116.99527	1.4
121.02892	1.4
121.06498	0.8
124.07642	0.6
133.08611	35.2
134.04622	0.8
138.09111	0.6
139.03860	0.8
147.04498	0.7
147.09178	0.8
148.09549	0.6
151.03889	0.6
152.05629	0.5
153.01851	3.9
161.05968	0.7
161.09668	1.0
165.02280	1.0
167.07103	0.6
174.99226	13.8
177.11227	7.5
182.05000	4.4
191.08098	0.5
193.08821	0.6
196.48381	0.5
207.02846	3.2
208.02902	6.6
225.03882	1.3
239.14925	0.7
250.52838	0.5
251.00015	1.2
271.06049	0.6
283.15002	0.8
283.17776	0.7
299.05670	0.6
327.04794	1.4
327.08429	1.0
327.14453	2.1
327.19962	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01618	0.9
51.02381	1.7
53.03951	5.3
54.40268	0.6
55.01874	1.0
55.05509	2.5
57.03440	0.6
57.07072	0.7
57.46099	0.6
59.27234	0.6
62.79198	0.6
65.03958	0.6
67.05505	4.2
69.07067	1.7
70.03679	1.3
70.04061	1.4
77.03941	1.4
79.05487	3.8
81.03422	1.3
81.07066	4.5
83.08589	0.8
85.06599	0.7
91.05503	6.3
93.07059	9.7
95.04984	14.4
95.08615	7.5
97.06542	2.0
97.81539	0.7
98.20824	0.7
98.98476	100.0
101.33366	0.6
105.04515	2.3
105.07041	8.1
106.30831	0.7
107.08607	4.8
109.06525	1.5
109.10157	2.3
115.05451	0.7
116.99514	1.3
117.07047	1.8
119.08607	8.2
121.06513	2.4
121.10144	4.0
123.08099	0.9
123.11687	1.5
131.08562	3.9
133.10153	5.7
135.08028	1.0
135.11702	1.2
142.07793	1.3
143.08594	2.6
145.10144	4.0
147.08086	0.7
147.11703	2.2
149.09639	0.9
152.06232	13.8
153.07011	10.9
155.08563	0.9
157.10155	4.9
158.10976	0.7
159.11696	4.2
159.12848	0.7
161.09642	0.9
168.05716	5.1
169.06554	1.2
169.10121	2.4
171.11688	1.5
173.13318	1.2
174.99252	12.1
175.01547	1.6
175.14828	2.9
179.08630	0.7
183.11732	1.7
185.13304	1.6
187.03128	0.8
187.14812	1.6
195.11760	1.0
197.13283	1.5
199.14885	1.9
200.24661	0.7
203.14368	0.6
209.13290	1.0
215.02573	2.5
217.16051	0.7
223.14790	0.7
225.16521	0.8
227.08594	1.3
227.14281	1.0
228.09419	3.4
229.10185	1.4
233.03659	13.5
244.08727	0.7
251.00121	1.6
251.04701	6.5
309.22256	1.2
327.07831	47.6
327.23062	3.1
328.08215	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76135	0.9
53.03941	1.9
55.01865	3.4
55.05513	7.0
57.03438	1.8
57.07072	2.3
59.04988	3.8
65.03935	1.9
67.05512	16.2
68.99790	2.1
69.03091	1.9
69.03436	26.0
69.07070	13.7
69.20850	11.1
69.46331	1.1
73.71388	0.9
75.03304	0.9
79.05496	9.1
81.03410	1.1
81.07056	22.9
83.04987	19.0
83.08637	8.8
85.02937	1.2
85.06534	4.6
87.00838	8.6
87.04451	2.9
91.05489	8.8
93.03394	1.6
93.07053	56.7
95.04955	5.5
95.08611	32.1
97.06529	7.9
98.98476	100.0
99.08119	3.7
101.06023	4.9
103.03923	1.3
103.05499	1.4
105.04578	1.1
105.07040	5.3
107.04947	3.7
107.08601	13.6
109.06522	9.3
109.10162	6.5
111.04452	2.9
111.07378	1.5
111.08093	21.8
115.03922	3.0
115.07599	1.3
117.07040	2.4
119.08613	5.4
121.06515	16.0
121.10167	12.6
123.08061	3.6
123.11705	2.3
125.05998	3.2
127.07531	1.1
129.05505	9.1
129.09123	6.4
131.08582	1.4
133.02841	1.0
133.10168	7.6
135.08043	4.0
135.11717	16.0
137.05956	2.5
137.09644	2.8
139.03860	1.9
139.07553	24.9
143.07036	5.6
144.09361	2.1
145.10088	1.7
149.06012	10.0
149.09630	2.0
149.13260	6.4
151.11177	16.5
153.09164	1.2
157.08609	7.6
159.11685	11.9
163.07466	1.0
163.11136	1.9
165.05530	1.3
165.09053	1.3
167.07011	3.0
171.06599	1.6
174.99223	12.4
176.69730	1.1
177.12764	18.0
185.08063	2.6
187.11179	1.3
195.13824	38.1
199.79201	1.0
200.62910	0.9
205.12218	5.9
207.07986	1.3
223.13327	14.9
234.06491	1.2
241.14368	63.9
261.50327	1.1
291.12244	1.3
302.32025	1.1
309.13409	33.3
327.14520	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1438
Annotation	(+)-Macrosphelide C
Peak:m/z	Relative Intensity
53.03942	3.9
55.01871	4.5
55.05515	12.4
57.07087	2.3
59.04990	7.3
61.06631	1.9
67.05510	17.8
68.99799	3.2
69.03435	27.9
69.07071	20.5
69.20965	21.2
70.21788	1.9
74.43565	1.8
79.05478	11.7
81.07058	29.5
83.04977	23.4
83.08613	10.6
85.06539	9.1
87.00820	10.3
87.04462	6.2
91.05489	17.1
93.07049	77.6
95.04966	8.9
95.08610	44.2
97.06514	10.7
98.98478	54.3
99.08093	5.7
101.06010	5.8
105.07021	8.0
107.04954	5.8
107.08588	18.5
109.06526	12.1
109.10168	9.3
111.04477	4.3
111.07364	3.5
111.08085	30.8
115.03926	2.6
115.07611	2.2
117.07079	2.2
119.08601	6.6
121.06514	22.4
121.10149	21.4
123.08092	5.9
123.11730	3.8
125.06026	3.0
129.05438	9.6
129.09125	7.5
131.08601	2.5
133.10110	11.0
135.08041	6.4
135.11681	23.2
137.09605	5.6
139.03864	2.1
139.07538	39.4
142.83826	2.3
143.07054	4.0
149.05946	13.9
149.13298	7.4
151.11197	25.9
157.08662	11.8
159.11725	17.3
163.11227	3.7
167.07076	6.2
171.06406	2.1
174.99179	4.8
177.12762	29.4
185.08157	5.1
195.13806	70.0
205.12268	8.9
213.00769	2.0
214.08466	2.1
223.13309	21.7
241.14351	100.0
309.13351	48.4
327.14493	49.0
344.22592	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2327
Annotation	Tumonoic acid E
Peak:m/z	Relative Intensity
53.03935	1.0
55.01899	0.5
55.05508	1.2
57.07078	2.7
65.03937	0.4
67.05505	5.9
69.03419	0.5
69.07069	11.6
69.95056	2.0
69.95391	0.5
70.72604	0.4
71.04988	0.4
74.02452	0.4
79.05494	21.6
81.07055	12.4
83.04988	2.3
83.08603	1.1
84.08187	0.4
86.09705	100.0
87.10026	0.6
91.05481	6.6
93.07044	32.2
95.04976	1.4
95.08601	6.4
97.06525	1.8
98.98475	7.2
105.04552	0.5
105.07037	2.8
107.04973	1.1
107.08595	15.7
109.06525	0.9
109.10178	0.8
117.06999	2.6
119.08578	1.4
121.06532	0.9
121.10143	3.3
123.08094	0.6
125.05984	0.9
128.10709	3.2
131.08585	1.7
132.10205	51.6
133.10126	5.9
135.08058	2.2
135.11694	17.5
135.12718	0.9
149.13260	17.3
151.11177	1.2
151.14851	2.1
153.12711	2.2
159.11719	1.9
174.99251	1.0
177.12743	11.4
192.13840	1.6
194.15489	0.5
195.13806	0.8
199.50742	0.4
208.17046	1.0
238.14430	1.4
254.17511	5.5
261.84766	0.5
262.21661	16.2
280.22693	1.5
290.21100	1.0
308.22189	29.4
309.22717	0.7
326.23270	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	326.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01883	0.3
55.05509	2.5
57.03440	0.3
57.07074	2.4
65.03931	0.5
67.05173	0.6
67.05504	6.5
69.07073	5.1
70.67070	0.9
71.05010	0.5
72.08146	0.5
74.02433	0.7
74.28666	0.3
77.03917	0.6
79.05496	24.4
80.05840	0.3
81.07059	14.1
83.04977	1.8
83.08636	1.4
85.06525	0.3
85.42654	0.3
86.09708	100.0
87.10060	0.4
90.22630	0.3
91.05482	8.6
93.07047	37.8
95.04963	1.3
95.08608	8.2
97.06541	2.8
98.98467	17.4
105.04526	0.5
105.07025	3.7
107.04951	1.2
107.08595	20.3
108.08923	0.3
109.06517	1.5
109.10163	1.0
115.05460	0.4
116.99477	0.3
117.07003	3.0
119.08595	1.3
121.06487	1.0
121.10160	4.3
123.08035	0.4
125.05989	0.7
128.10718	1.8
130.08582	0.4
131.08540	2.3
132.10208	64.9
133.10123	6.2
135.08067	3.4
135.11694	21.6
136.71727	0.3
139.07549	0.5
147.11707	0.5
149.13263	21.9
151.11124	1.6
151.14815	1.9
153.12758	2.7
156.10266	0.4
159.11681	2.1
165.12726	0.3
174.99197	1.5
177.12759	15.6
192.13857	1.4
194.15338	0.4
194.36983	0.3
195.13791	1.0
206.15457	0.5
208.17027	0.9
238.14365	0.9
249.60197	0.3
251.00087	0.4
254.15050	0.6
254.17542	6.4
262.21674	13.5
262.24451	0.7
280.22748	1.3
290.21164	1.1
308.22202	34.4
309.22476	0.7
313.81644	0.3
326.23294	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	326.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.5
56.05045	0.6
57.03428	0.8
58.64973	0.4
60.32142	0.5
63.10567	0.5
63.54621	0.4
67.05503	0.8
68.05009	0.6
69.07076	1.2
69.39664	0.8
69.40060	3.6
72.08162	0.5
79.05499	3.1
80.05005	1.5
81.03409	0.8
81.07046	2.4
84.04512	7.2
85.02911	9.8
86.09687	0.6
91.05486	1.5
93.05750	0.9
93.07044	6.8
94.06557	1.6
95.08594	1.1
96.04474	0.8
96.08118	0.7
98.02403	1.0
98.06078	0.6
98.20750	0.8
98.98476	9.3
100.11248	1.0
101.68479	0.4
102.05523	1.5
105.06997	1.0
106.03017	0.5
107.08605	3.7
108.08123	22.0
109.08908	1.1
109.10132	0.7
110.09674	1.7
112.03998	0.7
113.02364	0.5
114.05515	1.4
119.08611	1.1
121.06495	3.7
121.10127	0.9
122.09676	12.4
123.10425	1.7
123.11695	0.7
129.65851	0.5
131.03352	0.8
133.10138	0.8
134.09654	0.7
135.11703	6.6
136.11209	4.7
137.05963	0.7
140.10699	0.8
142.05000	0.8
142.12245	0.9
145.10060	0.5
150.12788	24.5
151.13570	9.6
152.14349	8.6
153.01782	1.3
166.12262	0.7
168.10193	0.6
174.99191	1.0
178.15948	0.7
179.14268	0.5
180.06548	0.6
180.10237	0.7
190.15907	1.1
208.13354	1.5
210.07634	1.6
228.12421	0.8
236.16454	1.8
238.10658	1.3
252.12352	2.1
264.15875	1.3
282.17017	100.0
283.17444	1.2
284.18582	4.2
296.12772	0.6
326.19632	57.0
327.20123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32438	0.4
51.50837	0.4
54.59309	0.4
55.01842	0.6
55.05489	1.0
56.05013	1.2
57.03412	1.0
67.05496	1.0
67.79972	0.5
68.05013	1.0
69.03432	3.1
69.07047	0.9
69.73979	2.1
70.03743	0.8
70.06570	0.9
71.04977	1.0
79.05501	2.8
80.04996	0.9
81.03426	3.2
81.07012	1.7
82.03726	1.2
82.06544	0.6
84.04517	6.8
84.08100	1.0
85.02917	8.7
85.33868	0.5
86.09692	0.6
91.05445	1.8
93.07047	5.7
94.06537	0.6
95.08582	1.4
96.08137	0.7
98.02412	0.5
98.06009	1.1
98.98477	21.1
99.04423	1.0
102.05521	1.8
105.07002	0.8
106.06535	0.5
107.08610	3.3
108.08129	23.0
109.08870	1.2
109.10149	0.8
110.09637	1.9
114.05499	1.5
116.99418	0.6
117.05453	0.6
119.08607	0.9
121.06508	1.0
121.10130	0.7
122.06786	0.6
122.09672	11.4
123.07024	0.5
123.10420	1.6
123.11719	0.6
124.07541	0.8
125.09655	0.6
130.05045	0.6
131.03406	0.7
133.10178	0.8
134.05971	0.5
134.09593	0.9
135.11708	6.1
136.07590	0.5
136.11209	3.8
137.05933	0.6
142.05008	0.6
146.07919	1.1
147.09163	1.3
148.09499	1.1
150.12796	23.1
150.14014	1.1
151.13580	8.3
152.14366	7.8
153.12761	0.6
154.08694	0.7
162.09250	0.8
164.07031	1.2
173.07135	1.0
174.07445	2.0
174.99182	2.1
178.15900	1.0
179.14290	0.5
180.06586	0.9
180.10176	0.9
180.64182	0.4
182.08163	0.5
190.15770	0.7
191.08174	6.7
192.08530	13.1
196.16891	0.6
208.09756	2.3
208.13268	1.7
210.07574	1.9
228.12288	1.1
236.16536	1.1
238.10718	1.0
241.51329	0.5
243.06049	0.5
252.12360	1.8
264.15979	0.6
280.15576	0.8
282.17023	100.0
283.17334	1.5
284.18619	2.9
286.90875	0.5
308.13141	5.9
309.08643	0.6
326.14267	3.1
326.19659	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95904	6.3
55.01858	9.6
55.05516	34.6
67.05512	64.3
68.05808	7.6
68.93664	7.7
69.03417	14.6
69.07071	49.0
79.05498	38.4
81.06668	8.4
81.07074	100.0
83.04975	15.9
83.08633	16.8
85.06537	7.3
91.05500	34.6
93.07049	46.1
95.04980	17.3
95.08620	37.3
97.06534	19.6
98.20980	46.9
102.63045	6.8
105.07060	33.3
107.08605	49.0
107.10502	6.6
109.06499	13.7
109.10182	23.0
111.08080	8.4
117.07003	7.6
119.08601	35.7
121.10134	24.0
123.08080	13.0
125.29992	6.9
131.08543	17.4
133.10170	35.1
135.08087	8.0
135.11667	31.6
137.09625	14.1
145.10146	18.1
147.11687	34.6
149.09656	19.1
153.12756	8.3
157.10077	9.2
159.11772	11.1
161.09544	10.5
163.11194	12.8
173.13330	12.8
205.15826	17.8
229.15437	7.9
233.15295	12.1
257.18994	12.7
263.20023	22.6
275.20035	80.6
293.21078	29.4
307.22635	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	325.274
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
51.57307	0.5
51.75989	0.5
52.71951	0.5
53.03947	0.6
55.01857	0.6
55.05515	14.3
57.03445	0.7
57.07078	4.0
58.90872	0.5
59.05000	0.9
67.05511	6.5
69.03435	2.3
69.07070	100.0
70.00468	0.5
70.41113	1.4
71.04994	2.0
71.08632	0.7
73.02901	0.7
73.06574	0.6
74.02452	1.3
79.05490	4.1
80.05828	0.6
81.03388	0.5
81.07062	22.1
82.07417	0.8
83.04986	1.6
83.08619	5.2
85.06547	3.4
91.05490	2.4
93.07053	9.2
94.07406	1.0
95.04990	1.6
95.08611	27.3
97.06528	3.2
97.10187	2.7
97.15252	0.5
99.08111	1.9
101.06040	1.8
105.07039	2.9
107.04942	0.8
107.08595	6.0
109.06547	1.2
109.10160	8.5
111.08097	1.9
111.11727	28.0
119.08568	2.4
121.06538	1.8
121.09312	0.8
121.10140	6.2
122.06815	0.6
123.08055	0.6
123.11731	3.5
123.96475	0.5
129.12790	2.1
130.08638	1.3
133.10184	2.1
135.11702	4.2
136.12071	0.8
137.05959	1.0
137.09668	0.6
137.13261	2.1
138.94958	0.5
139.11186	23.3
145.10130	1.0
147.11676	1.5
149.13254	3.3
150.13649	1.2
151.11224	0.6
151.14803	2.5
153.12756	3.2
157.12238	4.5
159.11766	1.4
161.13307	1.1
163.03825	0.7
163.11183	0.7
163.14864	1.6
165.12836	1.4
167.14308	0.8
173.13269	0.9
174.33322	0.6
177.12830	1.6
178.13075	3.7
179.14388	0.7
205.14220	0.6
263.23831	1.9
269.07983	0.9
289.25348	1.5
293.08051	0.8
295.26324	0.9
303.18069	0.6
305.57776	0.6
307.09772	0.8
307.26324	8.2
325.10687	1.7
325.14514	2.0
325.19858	2.7
325.27347	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	325.2374
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
55.01875	18.7
55.05512	39.9
55.30252	5.0
56.28343	5.3
56.56023	4.7
56.59386	6.4
57.03435	11.3
57.07090	7.4
62.06090	23.5
62.35844	4.9
67.05506	69.6
69.03410	6.6
69.07071	54.9
69.91630	27.6
79.05494	50.5
81.07059	100.0
83.04996	12.1
83.08629	24.5
91.05502	31.7
93.07059	45.5
94.07317	5.3
95.04984	16.8
95.08602	55.1
97.06521	26.7
97.10178	14.9
105.07041	27.5
107.04965	8.3
107.08622	33.6
109.06518	13.5
109.10185	21.5
111.08090	7.0
111.35381	5.5
117.07067	6.7
119.08618	32.2
121.06470	5.6
121.10149	31.2
123.08045	14.0
123.11730	16.7
125.09649	10.5
131.08580	17.5
133.10129	35.8
135.08086	10.2
135.11691	23.2
137.09647	14.0
137.13292	6.3
145.10175	15.4
147.11705	22.5
149.09714	11.8
151.11243	8.0
152.60324	6.6
157.10178	9.5
159.11612	10.5
161.13304	7.9
163.07091	5.5
163.11205	16.6
165.12761	12.5
177.12779	6.1
219.49181	6.9
239.18021	7.3
247.20648	7.1
257.18939	9.6
263.20044	28.5
272.27252	5.5
275.20117	59.6
293.21136	25.8
295.22809	12.5
307.22705	13.3
325.27289	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	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01877	21.5
55.05511	63.0
55.39560	3.2
57.03435	6.6
57.07075	5.7
67.05506	48.0
69.07066	35.7
69.15685	35.3
71.04987	12.6
71.08619	8.6
79.05489	42.1
81.03406	7.5
81.07058	45.7
83.04984	29.4
83.08617	39.3
84.64561	3.7
85.02908	6.9
85.06536	3.9
91.05474	30.5
91.26173	2.9
93.07042	44.9
93.40784	2.8
95.04965	79.1
95.08596	31.3
97.06535	8.2
97.10161	27.9
98.21534	7.4
99.04461	6.4
99.08091	12.6
105.07031	32.0
107.04955	9.9
107.08598	54.3
109.06521	20.7
109.10170	23.2
111.04439	38.8
111.08065	12.7
111.34412	3.2
111.70180	3.3
117.07015	10.2
119.08578	25.8
121.06508	11.8
121.10146	25.6
123.08051	9.2
123.11724	5.2
125.06026	4.6
125.09631	30.5
131.08586	23.2
133.10129	18.2
135.08055	12.4
135.11679	19.5
139.11172	7.0
143.08528	3.9
145.10139	24.0
147.08046	6.6
147.11688	10.9
149.09624	46.0
153.09113	5.6
153.12706	12.6
157.10159	4.8
159.11739	9.1
161.13246	4.6
163.11189	32.2
165.12767	21.3
173.09644	5.0
173.13242	5.6
177.12817	4.6
181.12227	11.4
181.15848	4.6
183.11659	3.0
187.11183	6.0
189.11237	21.3
191.10715	10.3
192.60913	3.5
205.12280	6.6
207.55913	3.3
209.11757	3.1
223.13297	72.4
227.12848	8.2
237.14836	8.1
239.17944	7.8
251.16350	4.4
257.19034	10.0
261.22137	8.6
275.20074	100.0
279.23395	4.1
289.21646	18.8
293.21109	80.4
307.22668	49.1
325.23981	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43906	7.2
55.01867	10.0
55.05514	50.2
56.96569	10.8
57.03442	11.7
57.07067	15.8
65.03956	6.0
67.05508	80.0
69.07076	68.5
70.98089	7.3
71.04986	6.2
71.51383	9.2
79.05504	57.3
81.03429	7.8
81.07066	91.9
82.07397	6.7
83.08620	30.0
83.78727	6.6
85.02908	9.1
91.05499	51.8
93.07059	64.9
95.04996	14.8
95.08611	56.5
97.06534	10.8
97.10168	23.5
98.97597	16.1
105.07014	46.0
107.04961	11.1
107.08601	43.5
109.06537	16.5
109.10154	40.0
111.08083	14.7
116.98615	11.0
117.07064	11.0
119.08591	38.9
121.06512	9.6
121.10135	33.2
123.08077	14.1
123.11726	19.1
125.09650	7.2
126.10184	6.2
131.08575	27.9
133.10141	32.1
135.08026	9.6
135.11714	29.0
140.19028	6.9
145.10110	32.9
147.11722	36.2
149.09642	20.0
149.13289	16.0
152.38789	6.8
157.10179	13.5
159.11652	18.3
161.13284	9.1
163.11197	10.1
171.11638	8.7
173.13307	15.6
249.18443	9.6
257.19049	14.7
261.98068	6.9
263.20102	16.5
265.11148	20.8
275.20074	100.0
283.12158	25.8
289.21652	21.2
293.21140	29.0
307.22372	12.4
325.13336	20.2
325.27594	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.5
55.01874	36.6
55.05510	25.9
57.03443	30.3
62.70262	4.1
65.03974	5.7
67.05511	86.0
69.07074	25.3
69.31467	5.7
69.92591	18.2
79.05500	79.9
81.03416	18.6
81.07060	86.0
83.04999	35.7
83.08619	7.1
85.06539	12.0
91.05489	79.4
93.07051	56.1
95.04977	61.3
95.08601	39.6
95.69419	5.4
97.02879	13.1
97.06572	12.7
97.10150	7.8
98.07324	7.8
105.07041	61.8
107.04967	100.0
107.08602	29.3
108.05753	11.4
109.06548	42.5
109.10188	25.7
111.04446	9.3
111.07993	5.2
112.05235	12.0
113.06048	5.8
115.12627	4.3
117.06993	29.2
119.04968	6.2
119.08598	32.5
120.05719	6.0
121.06509	24.4
121.10151	18.2
122.07300	37.8
123.04416	13.4
123.08064	12.4
125.05995	5.0
128.06261	8.1
129.07037	10.0
131.08551	34.1
133.06477	31.4
133.10129	19.7
135.08076	20.9
135.11685	13.1
136.08755	6.4
137.09622	19.0
143.08572	12.1
145.06490	19.8
145.10106	18.8
147.08055	34.2
147.11667	9.0
149.09662	12.0
151.07520	5.5
157.10083	8.2
159.11752	11.8
161.09657	30.2
163.11201	4.8
165.09096	8.6
169.10083	7.2
171.11716	11.5
173.13263	13.9
175.09709	4.9
175.11182	9.0
187.11218	5.6
187.14832	12.7
189.12735	9.2
197.13304	9.2
205.15881	13.4
215.14299	22.9
217.15939	5.8
217.71542	4.7
233.15388	97.8
233.17566	9.1
249.51869	4.9
251.16443	15.4
273.18478	6.9
290.18939	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	325.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
56.05030	1.2
57.03430	1.2
57.23983	0.6
59.05017	0.7
67.01869	1.9
67.05522	1.1
68.05017	1.2
69.03414	2.6
69.07061	1.5
69.35152	5.8
70.06574	2.0
71.01337	0.8
79.05484	2.9
80.05017	2.0
81.03394	1.2
81.07042	3.0
82.06573	1.4
84.04505	12.8
84.08137	1.7
85.02908	21.4
86.06067	7.1
86.09708	0.9
87.04466	1.0
91.05488	6.0
93.05806	0.8
93.07042	8.1
94.06589	1.0
95.01337	3.3
95.04974	0.9
95.08596	2.3
95.73155	0.6
96.01672	0.8
96.04493	0.9
96.08118	1.9
97.02888	3.0
98.03222	1.5
98.06062	2.7
98.09684	0.9
98.21474	1.1
99.04462	0.9
102.05544	9.3
102.61829	0.7
102.64259	0.7
105.07022	1.6
107.08588	3.0
108.08122	43.9
109.02809	0.9
109.10131	0.9
110.09693	4.9
112.03979	2.0
113.02337	3.4
114.02691	1.5
114.05585	1.0
115.05482	0.7
118.06591	0.8
119.08582	1.1
120.08077	1.3
121.06503	3.8
121.10133	1.5
122.06829	4.4
122.09661	4.1
123.00742	0.8
123.10405	1.7
123.11716	0.8
124.07531	0.8
124.11238	1.2
125.02361	0.9
126.02687	1.5
130.05006	87.4
133.10143	1.0
134.09657	2.0
135.11699	7.2
136.11189	1.2
138.09099	1.1
141.01833	2.1
142.02176	1.7
142.05031	1.0
142.07339	0.7
147.09180	2.1
149.09665	0.9
150.11638	1.2
150.12785	15.3
151.03908	0.8
151.13545	2.3
152.14346	100.0
153.14705	0.7
154.15916	4.6
161.13300	1.1
163.03914	1.9
164.07031	0.9
174.06343	1.3
178.15964	2.7
191.03368	2.0
191.08186	7.0
196.16977	35.6
196.79625	0.7
199.49730	0.7
205.35448	0.7
207.68314	0.7
210.11101	1.1
216.07405	2.3
221.04434	1.3
223.02441	1.7
235.17949	3.3
236.16609	1.0
247.02425	1.5
261.19833	0.7
264.15955	14.9
265.03430	2.1
266.17542	0.8
272.06500	1.0
281.18600	84.0
283.20157	2.5
299.54007	0.7
307.04434	4.4
307.09921	1.1
307.12970	2.4
307.20245	0.9
308.08472	7.5
308.18549	5.5
325.14148	2.7
325.21231	93.3
339.32495	0.7
340.22690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.9
65.03943	0.7
67.05497	1.6
69.07059	2.4
70.56840	1.5
70.57169	0.7
74.03450	0.8
79.05473	1.2
80.97663	0.6
81.07047	3.9
83.04998	0.8
88.23786	0.6
91.05473	1.6
93.07048	2.1
93.96929	0.6
95.08614	2.4
97.06570	0.9
105.07016	1.2
107.08613	1.7
109.10187	0.7
119.08600	1.2
123.11712	1.0
127.95524	0.7
129.46599	0.8
135.11665	1.3
145.10059	0.8
147.11705	1.9
165.12781	0.7
167.05249	0.7
189.65218	0.7
241.22855	0.6
281.17310	2.6
325.16235	100.0
326.16507	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.9
55.01870	0.7
55.05523	3.4
56.96580	0.5
57.07059	1.2
65.03950	0.6
67.05502	4.3
69.03419	2.0
69.07074	5.7
70.06596	0.8
71.05001	0.9
71.51636	1.0
72.97713	0.6
79.05509	3.9
81.03416	1.1
81.06644	0.8
81.07069	7.6
83.04978	0.7
83.08633	1.5
85.02917	1.0
85.06522	1.0
86.09695	3.9
91.05473	3.2
93.07048	5.6
94.07397	0.6
95.04963	1.4
95.08616	7.3
97.02891	0.8
97.06537	1.4
97.10207	1.4
99.04484	0.9
99.08091	1.0
105.07023	3.4
107.08622	5.0
109.06513	1.5
109.10175	4.2
111.08070	1.1
111.11704	0.6
115.04218	0.6
117.07037	0.9
119.08586	2.5
121.06528	1.8
121.10136	3.1
123.08048	0.9
123.11732	2.2
131.08578	1.4
132.10196	1.8
133.10155	2.8
135.11681	2.9
137.05992	1.2
139.11238	1.3
145.10091	1.7
147.11714	1.2
149.13258	2.0
151.07565	0.8
161.09592	0.9
161.13319	1.1
163.03922	1.6
163.11287	0.7
171.11707	1.3
175.11220	1.1
177.12695	0.8
179.10677	1.0
187.11195	0.7
201.05510	0.9
205.06628	1.1
206.29282	0.7
212.50069	0.7
222.06677	1.1
227.17934	0.7
229.53143	0.6
233.06126	0.9
237.09229	1.0
237.16557	1.0
249.21777	0.6
250.06136	0.7
255.17393	0.9
262.21838	1.0
265.08633	1.2
270.12595	0.6
272.20102	1.1
273.18613	1.8
281.17197	2.8
289.25089	0.8
290.21146	0.8
291.19626	0.8
292.07233	1.0
293.08118	1.7
307.09805	1.4
307.26315	1.0
308.22287	1.5
325.16257	100.0
326.16705	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67594	0.4
51.60521	0.4
53.03929	1.7
55.01857	2.2
57.03440	2.8
59.04996	1.1
61.02911	0.6
62.45472	0.5
69.03434	16.4
69.73023	3.0
70.06560	0.7
71.01328	1.1
71.05000	5.1
73.02919	1.4
81.03421	17.1
84.08146	0.6
84.69862	0.5
85.02907	2.0
91.05457	1.5
95.01327	0.8
97.02895	1.6
98.03177	0.8
99.03942	0.6
99.04472	6.7
113.02350	0.8
114.02752	0.7
116.04970	0.6
117.05492	2.3
118.06552	5.4
121.06503	2.3
122.06847	1.6
126.02697	0.5
130.04903	0.5
141.01788	0.8
145.07631	7.0
147.08144	0.7
147.09187	9.7
149.90054	0.5
152.14349	0.9
162.07912	1.5
163.03941	0.6
163.08734	1.0
173.05728	0.8
173.07129	13.0
174.06317	0.5
175.08676	5.3
181.04857	1.0
184.45703	0.6
187.02188	0.5
191.08165	100.0
192.08534	0.7
205.09605	0.7
216.07283	1.0
233.09218	1.1
271.10605	0.5
281.15027	0.9
282.17001	1.9
289.11832	1.9
307.04681	0.9
307.12900	34.1
308.08463	3.8
325.13974	24.4
325.21063	1.3
326.14233	0.8
326.19617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03934	1.1
55.01862	0.9
57.03441	3.8
57.40825	0.6
61.02914	2.5
61.48104	0.6
63.99580	0.5
69.03085	0.9
69.03432	9.9
69.07063	2.3
71.01340	2.0
71.04980	2.5
71.05936	1.5
73.02907	1.2
75.04465	1.0
79.05466	1.2
81.03398	0.9
85.02876	1.9
91.05479	2.9
93.07042	1.3
94.20803	0.6
95.01336	1.0
95.85184	0.6
97.02888	2.1
97.06536	0.9
98.03224	0.8
99.04456	2.7
105.07009	1.4
107.04942	0.6
107.08566	1.0
108.08155	1.0
113.02357	1.4
116.05015	0.7
117.05605	0.8
118.06532	2.1
119.08571	1.3
120.08111	0.7
121.06505	3.3
122.06878	1.7
123.08080	2.1
125.02364	1.0
130.04979	1.4
132.06816	1.5
133.10123	2.2
141.01849	1.6
142.02136	0.6
145.07605	10.6
147.04446	1.4
147.09177	89.6
148.09520	1.0
151.03909	0.7
152.14297	1.0
159.09161	4.2
161.09605	1.7
163.11198	2.6
173.07135	3.5
175.11177	4.8
179.10658	1.6
185.10803	1.1
191.08163	100.0
192.08600	1.1
203.10588	1.5
216.07379	0.7
219.11388	0.7
221.11725	1.3
263.13925	2.6
281.14981	47.7
281.18469	1.8
289.11887	1.0
290.66541	0.6
307.12943	8.5
308.08484	2.9
325.13953	74.8
326.14154	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01862	6.2
55.05502	2.2
55.88184	2.1
57.03441	5.5
61.02927	2.9
63.74172	1.9
67.05499	6.3
68.93506	2.0
69.03437	14.1
69.06734	2.6
69.07076	37.0
69.46525	16.7
79.05499	12.0
81.07056	8.1
85.02887	2.9
87.00832	3.0
88.16315	2.1
89.19048	2.1
91.05500	23.5
93.07045	16.0
95.01336	2.6
95.04967	8.2
95.08640	2.3
95.91405	2.5
97.02866	3.9
97.06548	14.2
98.20760	3.6
99.04460	2.9
103.57742	2.0
105.07037	18.2
107.04961	6.1
107.08578	15.9
109.06530	5.9
113.02351	4.2
118.06642	2.0
119.01340	3.9
119.04961	9.4
119.08590	18.9
121.06523	14.0
122.06836	5.7
123.04465	8.6
123.08053	19.5
125.06013	6.4
126.02713	2.3
130.05020	5.6
131.08627	4.0
133.06520	4.5
133.10146	32.0
137.05962	2.4
137.09631	2.9
138.10397	2.4
141.01845	3.4
141.05583	2.6
142.02142	2.4
142.07785	3.5
145.06512	3.9
145.07620	10.4
147.04431	15.6
147.08009	4.7
147.09183	94.9
147.11644	14.8
151.03876	4.3
152.14412	4.7
157.10152	9.6
159.09218	3.4
159.11671	5.6
160.08856	4.4
161.05998	6.7
161.09636	27.7
163.11185	31.2
165.05527	10.9
173.07169	3.2
175.11197	65.5
176.11572	2.6
177.12837	3.9
179.10683	16.9
187.02371	2.8
188.08357	4.2
191.08177	100.0
203.10684	24.3
216.07448	2.7
221.11816	19.7
263.13931	2.5
272.06479	2.2
281.14972	55.1
281.18115	3.2
307.12924	9.7
308.08524	8.4
325.10239	4.8
325.13974	81.2
325.21310	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	325.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05300	1.8
52.55757	1.9
53.03930	5.8
55.01873	3.0
55.05487	3.0
59.05014	10.7
60.24024	1.9
65.03924	3.6
67.05492	4.0
69.03416	7.2
69.07061	5.0
69.09487	1.9
70.90975	4.6
71.59808	1.8
71.84361	2.0
73.32601	1.8
77.03918	2.6
79.05468	7.8
81.07054	14.1
83.04979	4.0
86.10878	1.8
87.00806	2.3
91.05479	51.1
91.51438	1.9
93.06483	3.3
93.07046	45.1
95.01358	2.2
95.04936	4.6
95.08592	4.4
95.27766	2.0
105.04523	2.9
105.06403	2.8
105.07034	32.1
107.04954	4.2
107.08598	30.4
109.06538	12.9
109.10154	6.3
111.04446	3.1
111.08101	2.6
113.05985	2.1
117.06953	2.8
119.04944	22.8
119.08566	17.0
121.06515	17.3
121.10142	5.0
123.08067	23.4
123.11677	3.8
131.08571	2.2
133.06488	4.5
133.10136	72.8
135.08080	3.9
135.11694	5.6
137.06013	10.6
137.09618	4.8
138.10396	7.5
139.42245	2.5
142.07776	6.7
145.06519	2.5
145.10126	3.3
147.04410	44.8
147.08087	2.2
147.11679	19.1
151.11188	2.6
157.10129	34.5
159.08018	2.3
159.11668	10.2
160.08861	13.1
161.05992	10.2
161.09621	50.4
163.03932	2.6
165.05481	32.3
175.11189	100.0
177.12723	4.3
179.10675	56.8
185.09671	3.3
188.08308	4.1
193.12314	3.7
203.10683	35.8
221.11736	30.6
306.53693	2.0
334.29660	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	324.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01862	1.4
55.05501	3.0
57.03444	1.6
57.78801	0.8
63.84888	0.8
64.57693	0.9
65.03610	0.8
65.03951	0.8
67.01867	2.4
67.05513	5.5
69.03419	2.0
69.07072	10.0
69.85815	4.6
70.06596	1.2
71.04986	3.7
72.08155	1.1
79.05500	8.8
81.03425	1.5
81.07068	11.9
82.07375	1.0
83.04982	1.2
84.08176	0.9
85.02914	7.1
86.09713	100.0
91.05487	23.4
93.07053	11.5
95.01325	3.4
95.04991	2.9
95.08612	5.4
97.02904	7.3
97.06506	1.7
98.20827	1.3
103.05489	1.1
105.07037	33.9
107.04952	1.7
107.08620	4.9
109.06528	3.2
109.10133	1.7
110.06064	1.0
110.07150	1.8
113.02380	6.0
117.07035	1.7
119.01740	1.2
119.08593	13.6
121.06521	14.9
121.10166	2.7
123.00813	1.4
123.08102	1.4
125.02374	5.2
128.06200	1.2
128.10710	2.6
129.07022	2.8
130.08656	1.0
131.08569	12.9
132.10219	44.0
133.06456	1.0
133.10146	34.0
138.09148	0.9
141.01831	7.4
141.06979	1.9
145.06516	0.8
147.04318	1.2
147.08035	1.4
147.11707	22.1
149.09608	2.7
149.13251	2.7
151.11188	13.6
153.01840	2.0
155.32301	0.8
156.07625	1.1
157.10098	3.1
159.02953	1.1
159.08037	1.2
161.09766	1.0
163.07603	1.1
165.05478	0.9
165.12730	1.0
169.06421	0.9
173.05887	2.0
175.11183	11.1
187.02393	2.1
187.07558	0.8
192.13849	4.9
193.12225	2.1
215.07117	5.0
221.32353	1.0
238.12155	0.8
238.14404	3.0
260.20126	10.4
278.21216	6.6
306.20718	8.7
307.08112	11.4
324.10492	1.8
324.21777	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	324.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50143	1.9
53.03946	2.3
55.01897	1.7
55.05508	8.5
57.07079	3.6
58.06601	3.3
67.05500	13.5
68.05848	2.0
68.50891	1.5
69.03419	1.8
69.07082	18.2
69.80253	5.4
69.80657	3.7
71.04991	2.0
71.29176	1.7
74.02446	37.5
79.05493	41.1
81.07064	29.5
83.05009	3.3
83.08636	3.2
84.08186	3.6
85.02914	4.5
86.09725	3.4
91.05484	17.4
93.07046	71.5
94.07364	2.4
95.01352	2.2
95.04978	16.2
95.08611	22.6
96.05294	4.6
96.08936	2.2
97.02895	1.9
97.06540	3.6
102.09155	1.9
103.05445	2.5
105.04520	2.0
105.07043	7.7
107.04970	11.6
107.08589	30.9
109.06522	3.3
109.10177	2.9
111.11756	3.8
113.02387	2.4
117.07022	6.6
119.08604	5.3
121.06505	39.3
121.07374	1.9
121.10151	7.8
122.10422	1.8
123.08074	3.5
123.11743	2.1
124.12014	2.6
125.02348	3.5
125.66512	1.5
130.08646	45.1
131.08589	3.4
133.10135	11.6
135.08092	7.7
135.11708	34.1
141.01811	3.7
141.85542	1.8
145.90771	1.6
147.11681	3.6
149.13274	52.5
151.11180	4.3
153.12788	3.3
159.11739	4.9
173.06021	2.1
177.12759	100.0
195.13890	2.5
204.13875	9.0
234.18594	1.9
252.15973	6.4
306.20694	22.1
306.24332	2.6
307.08273	6.3
324.19510	32.6
324.25702	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	324.2172
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03936	1.5
53.64354	0.6
55.01865	2.6
55.05516	4.0
57.03435	1.4
65.03963	1.0
67.01879	1.5
67.05216	0.8
67.05515	7.6
69.03421	2.4
69.07060	2.8
70.06593	0.9
71.04996	3.9
79.05067	1.1
79.05493	11.9
81.03439	0.9
81.07065	12.6
82.07391	1.7
83.04990	1.0
85.02908	4.7
85.06572	1.5
86.09708	100.0
91.05486	26.1
93.07043	11.8
95.01328	2.1
95.04967	2.8
95.08608	6.4
97.02903	5.8
97.06512	1.1
98.21511	1.6
98.77739	0.7
99.04465	0.7
103.05530	1.0
105.07036	41.9
107.04944	2.1
107.08592	6.2
108.08941	0.9
109.06535	3.3
109.10184	2.5
110.10504	1.1
111.08112	1.6
113.02412	3.8
117.07025	2.3
118.30497	0.7
119.08588	14.6
121.06517	11.4
121.10156	2.7
122.06036	0.7
123.00790	1.1
123.08080	2.1
123.11684	1.5
123.18568	0.9
124.07600	1.8
125.02355	3.2
125.09655	0.8
125.53700	0.9
128.10826	0.8
129.07004	2.9
131.08568	16.3
132.10211	51.3
133.06454	1.1
133.10138	36.1
135.08084	1.0
135.11662	0.8
141.01865	6.1
141.06924	1.1
142.07820	1.9
145.10178	0.7
147.08047	1.5
147.11699	26.3
148.12051	0.9
149.09636	4.2
149.13245	1.6
151.03946	2.6
151.11189	15.8
154.12253	0.7
157.10187	2.4
161.09668	0.8
165.12801	1.2
173.05980	1.2
174.89101	0.6
175.11182	11.4
176.07979	0.8
187.02437	1.3
187.07657	1.1
192.13870	4.8
193.12251	2.5
215.07048	1.9
222.14908	1.5
225.05444	1.2
238.14368	3.6
255.81786	0.8
260.17020	1.3
260.20178	8.6
271.06036	1.2
278.21140	7.2
306.09641	0.9
306.20660	8.0
307.08170	8.1
324.10217	0.8
324.21790	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.196
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03932	1.2
55.05500	0.7
67.01846	0.6
67.05498	0.6
69.07055	0.6
69.29144	2.5
70.94957	0.3
77.03915	0.3
79.05499	18.7
79.95174	0.3
81.07045	1.2
82.07375	0.6
84.08121	0.4
85.02884	1.1
86.09710	0.5
91.05468	1.1
93.07037	1.6
95.01348	0.6
95.04961	1.0
95.08595	0.8
96.08943	0.3
97.02895	1.0
98.20776	0.7
100.87273	0.3
103.05471	38.4
105.07051	2.5
107.04960	22.1
107.08575	0.8
107.49806	0.3
109.10149	0.6
112.64880	0.3
113.02347	0.8
118.06540	6.0
119.07319	0.3
119.08556	0.5
121.06505	3.8
125.02349	0.7
131.04935	11.6
132.08099	2.5
133.08856	0.7
134.09650	0.4
141.01788	1.1
146.09618	2.2
147.10439	0.4
149.06003	0.7
149.13283	0.5
153.01741	0.3
160.11203	1.0
173.05901	0.4
176.14352	47.4
177.14648	0.6
187.07426	0.4
190.08618	0.3
215.06969	0.4
233.14171	0.7
266.11600	0.4
280.13358	0.3
306.09052	0.3
306.24969	0.4
307.08105	1.9
324.19583	100.0
325.19974	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	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03936	1.0
55.01870	1.0
55.05502	2.0
57.09831	0.7
58.29397	0.6
58.97314	0.7
59.40085	0.7
67.05509	3.9
69.07069	8.2
70.69279	0.9
70.69628	1.5
79.05496	3.5
81.07062	6.5
83.04981	3.2
83.25813	0.6
86.09712	100.0
91.05492	9.0
92.37490	0.7
93.07051	12.9
95.04977	2.3
95.08616	2.6
105.07031	13.3
107.08607	3.0
109.06523	10.9
109.10180	1.1
111.08119	2.2
112.43478	0.6
119.08564	4.1
121.10188	0.7
123.11691	0.7
128.10739	4.7
129.06975	0.7
131.08618	3.5
132.09222	1.7
132.10216	31.9
133.06519	1.0
133.10136	16.8
147.11699	13.1
149.09644	1.4
151.07603	2.7
151.11192	44.8
156.10251	1.3
160.56511	0.7
165.12794	1.8
167.14349	0.9
175.11221	3.4
193.12244	4.1
210.15051	1.2
222.14981	1.1
242.32387	0.7
260.20148	7.4
274.37839	0.7
278.21179	32.4
306.20593	6.4
324.21716	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	324.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55096	1.5
55.01881	3.7
56.05019	2.0
56.22744	1.7
56.96567	2.5
57.03435	7.5
57.19281	1.5
59.50657	1.4
60.27536	1.4
61.02937	22.9
67.01871	21.0
69.03444	10.2
70.06627	2.3
71.01352	3.5
71.04987	1.6
71.49963	2.4
72.08131	1.8
73.02911	2.4
81.03423	7.0
82.06586	3.3
83.05004	1.6
84.04511	2.3
84.08142	4.7
85.02915	62.4
87.00819	2.6
91.05487	3.7
93.07056	5.2
95.00771	3.2
95.01337	33.4
97.02903	49.3
98.06060	2.4
98.97591	3.6
99.00833	2.2
99.04456	2.6
101.00916	3.5
103.05492	3.1
107.04978	2.5
109.02879	11.1
113.02383	46.4
115.02452	2.9
115.05466	1.6
117.01862	1.5
119.01919	3.9
121.06517	100.0
122.06856	1.9
123.00799	12.1
125.02366	31.0
127.03955	4.9
128.06230	3.3
129.07025	2.2
131.01863	2.8
131.08592	2.7
138.09177	4.4
141.01846	59.7
141.07025	7.5
141.43022	1.6
144.05647	1.9
144.99857	2.6
145.03496	2.0
145.06514	3.1
146.03644	2.0
147.02948	3.0
155.01961	1.8
157.06465	2.3
159.02893	5.0
159.08116	4.4
162.05473	3.9
162.07616	4.0
162.11295	3.0
167.00066	1.6
167.01822	2.8
169.01370	3.7
169.06508	4.4
171.01300	1.6
171.08127	2.6
173.06007	16.3
177.02303	1.7
182.04321	1.9
185.05908	3.3
187.00874	2.7
187.02429	11.5
187.07602	9.5
188.40709	1.6
191.04825	2.0
193.00125	2.0
197.03036	4.4
197.06033	5.4
199.03989	2.3
199.07605	4.4
212.05287	3.6
215.07051	23.2
215.08882	2.8
217.05229	3.0
217.08669	4.4
219.03458	1.7
221.05775	3.9
225.05550	5.1
227.03883	2.0
227.07025	2.6
235.06648	5.7
243.06468	10.1
245.08235	3.4
253.05003	4.6
253.07571	2.7
262.10687	2.9
270.04568	1.8
271.06058	9.3
288.08493	8.1
289.07025	7.8
306.09741	6.1
307.08142	85.8
308.08368	2.9
320.38928	1.8
324.10712	15.7
342.14905	2.3
349.06256	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	324.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34834	1.2
55.01876	1.4
57.03436	3.5
67.01869	21.3
69.03423	4.3
70.94361	2.4
71.01344	3.5
79.01817	1.9
81.03409	1.2
85.02908	48.8
86.06104	1.3
91.05503	6.4
93.07055	6.8
95.00775	2.1
95.01341	28.7
97.02895	50.6
99.00824	1.8
103.05464	4.8
113.02370	44.0
121.06511	100.0
123.00806	10.5
125.02361	36.4
128.06210	4.0
129.06996	2.3
131.08571	3.7
138.09143	4.4
141.01828	59.0
141.07016	8.6
144.05658	1.7
147.04356	6.0
147.08043	1.8
153.07030	1.8
157.06517	2.1
159.02885	4.7
159.08052	6.6
165.05473	9.4
165.67482	1.2
169.01311	4.3
169.06416	7.3
170.20366	1.2
171.08070	3.8
173.05997	15.3
175.07504	2.7
180.21594	1.3
183.04431	1.5
185.06009	3.0
187.02383	15.9
187.07530	11.4
195.11246	1.4
196.47527	1.1
197.05959	5.5
199.03925	3.7
199.07513	6.8
201.05495	2.2
209.06178	1.9
215.05069	2.2
215.07050	31.2
217.05006	2.0
217.08591	5.4
225.05478	6.1
227.07002	5.4
228.30331	1.3
232.22739	1.3
236.05559	1.2
243.06628	10.8
245.08093	10.8
253.04976	5.2
271.06000	14.0
288.08676	9.0
289.07123	7.6
306.09793	9.6
307.08130	91.1
307.29065	1.2
324.10779	16.8
324.14783	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92664	1.5
54.99224	1.3
57.03431	3.9
59.37262	1.4
62.07866	1.3
64.34824	1.5
67.01546	1.4
67.01869	22.2
67.34063	1.4
67.72795	1.3
69.03417	3.6
69.78207	5.3
71.01334	2.6
78.06529	1.4
81.59503	1.3
82.36788	1.2
83.64559	1.4
85.02912	45.1
91.05475	5.5
93.07037	4.6
95.01336	31.5
97.02899	46.9
103.05450	5.7
112.89526	1.4
113.02374	43.7
121.06513	100.0
123.00807	9.2
125.02366	35.1
128.06223	3.0
129.07010	2.2
138.09113	3.1
140.03873	1.4
141.01834	54.1
141.07002	6.6
145.06477	3.5
147.04422	2.8
153.07002	1.7
157.06462	2.1
159.02901	3.4
159.08046	4.1
165.05461	2.0
169.01320	4.5
169.06464	5.2
171.08017	1.9
173.05989	15.4
185.05919	2.2
187.02379	12.0
187.07535	13.6
197.06053	6.9
199.03864	2.0
199.07536	5.5
201.05511	1.9
209.05974	1.6
215.07039	25.7
217.08519	3.7
225.05585	7.4
227.07091	4.3
243.04445	1.5
243.06511	7.2
245.08139	5.2
253.04907	3.5
262.10641	2.4
271.06006	7.7
288.08640	4.3
289.07065	5.9
291.98163	1.4
306.09598	8.2
307.08127	75.2
308.08734	2.3
324.10757	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	323.2581
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
51.02390	1.3
53.03948	2.6
55.01868	2.0
55.05512	34.5
55.74151	1.1
57.03435	5.0
57.07082	8.4
59.04990	5.0
65.03951	2.3
65.60922	1.2
67.05513	31.9
69.03435	10.3
69.07072	100.0
69.97809	6.3
71.01357	6.6
71.04996	30.8
71.08631	1.5
79.05488	20.2
81.03433	1.9
81.07059	96.0
83.04993	13.5
83.08623	15.9
85.06548	8.9
91.05491	15.3
93.07049	52.7
93.07639	2.7
95.04984	14.7
95.08613	59.0
97.06548	14.6
97.10181	8.0
99.04459	2.6
99.08102	15.0
105.07034	26.8
107.08601	44.0
109.06519	8.1
109.10164	47.6
111.08108	8.7
111.11725	22.2
113.09649	1.4
115.07536	1.4
119.08591	17.0
121.06518	10.5
121.10148	37.0
123.08073	4.6
123.11706	26.6
125.09617	4.3
125.13347	2.5
127.11190	1.8
129.12766	1.8
131.08557	4.6
133.10147	12.7
135.08089	5.0
135.11694	27.9
135.25554	1.3
136.94681	1.3
137.06012	2.2
137.09619	7.0
137.13266	5.2
139.07596	2.0
139.11166	16.1
143.08575	1.4
145.10124	12.0
147.11699	13.6
149.09593	3.0
149.13258	20.4
151.07527	2.1
151.11191	12.9
151.14885	2.2
153.12773	7.9
155.10699	2.8
157.10112	2.9
157.12248	3.6
159.11702	7.0
161.05919	1.9
161.13263	4.6
163.11185	7.7
163.14883	2.2
163.41417	1.3
165.12746	6.6
167.14310	2.1
171.11754	1.7
173.13269	4.2
175.11226	1.7
175.14830	3.9
177.12784	5.5
177.16454	2.5
178.72121	1.5
181.12224	4.8
185.13162	1.6
187.14835	2.7
189.16412	4.1
193.15984	1.5
195.13696	1.8
201.16408	1.3
203.17960	1.4
204.13925	2.7
205.15863	1.7
207.17580	1.8
213.16417	2.0
234.64166	1.4
255.51575	1.3
269.22614	2.3
279.23196	3.2
287.23700	7.2
305.24774	14.7
323.08911	1.9
323.22238	1.3
323.25864	25.1
324.19556	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	323.222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88861	2.1
53.03949	2.6
55.01870	23.1
55.05515	65.9
57.03456	12.9
57.07094	2.5
67.05510	50.5
69.03428	6.4
69.06740	2.4
69.07072	32.5
69.25818	22.3
71.04978	7.3
79.05066	3.8
79.05495	48.6
81.03432	21.1
81.07063	100.0
83.04995	24.3
83.08621	26.7
85.02918	5.5
85.06543	3.3
87.36861	2.3
91.05491	29.8
92.16752	2.4
93.06490	2.9
93.07053	43.5
95.04963	19.9
95.08611	40.6
97.06534	22.9
97.10176	38.3
99.04462	3.1
99.08086	6.2
102.02222	2.3
105.07044	26.0
107.04965	15.5
107.08593	34.3
109.06510	6.5
109.10158	19.6
111.04436	17.1
111.08100	9.9
113.05994	2.7
115.61613	2.6
117.07043	14.5
119.08588	21.6
121.06519	12.9
121.10130	13.2
123.08080	44.1
125.09631	35.9
129.06985	7.5
131.08604	16.8
133.06558	3.1
133.10139	9.4
135.08080	11.9
135.11690	13.4
137.09641	16.5
143.08539	5.2
145.09111	2.8
145.10129	16.1
147.04385	2.5
147.08096	13.4
147.11661	9.9
149.09608	9.2
149.13271	5.3
151.11278	3.5
153.09120	8.2
153.12701	6.2
157.10132	7.9
159.11703	8.4
161.09625	4.6
161.13248	3.4
163.11195	58.6
165.09102	15.8
165.12840	2.9
171.11786	2.6
175.11169	6.4
177.09120	2.5
177.12738	5.1
181.12221	9.2
189.11162	5.5
190.75592	2.5
191.10677	5.7
193.12276	19.9
203.12750	12.4
205.12238	3.1
217.15866	2.5
223.13266	3.6
227.12753	8.6
241.14412	2.4
245.19006	5.3
249.14917	2.9
249.18544	3.5
255.17398	6.6
263.20087	3.2
273.18488	26.5
291.19559	90.1
305.21078	14.6
323.14560	6.8
323.18372	9.4
323.22263	14.9
339.81805	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2582
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
50.32839	1.8
53.03938	3.5
55.01863	2.0
55.05514	29.6
57.03446	2.7
57.07073	7.3
59.04995	4.6
65.03957	1.7
67.05506	33.4
69.03426	13.2
69.07070	100.0
69.95455	8.7
71.01354	6.6
71.04999	35.1
71.08635	2.5
79.05492	21.1
81.07059	96.7
83.04989	14.1
83.08620	13.4
85.06548	10.9
91.05483	15.8
93.06581	1.3
93.07045	51.3
95.04977	19.5
95.08611	54.4
97.06538	9.3
97.10197	8.7
97.10718	1.6
99.08096	13.1
100.49062	1.6
105.07045	22.5
107.08601	44.9
109.06539	6.9
109.10159	46.6
111.08101	8.6
111.11719	19.8
117.07021	2.1
119.06068	1.6
119.08577	16.2
120.03242	2.1
121.06501	5.1
121.10161	33.3
123.08032	4.1
123.11723	25.1
125.09646	18.5
125.13242	2.9
127.11185	2.2
131.08562	5.7
133.10139	14.2
135.08136	3.1
135.11703	25.2
137.09634	6.2
137.13263	5.2
139.11198	16.1
145.10164	10.8
147.11697	12.0
149.13242	21.5
151.11162	13.6
153.12749	7.4
155.10677	2.0
159.11711	9.0
161.13278	6.0
163.11226	7.1
163.14835	3.7
165.12785	4.0
167.10542	2.0
167.14307	2.8
173.13318	4.1
175.14818	4.8
177.12758	7.7
181.12299	4.3
187.14922	2.9
189.16380	3.4
207.17470	2.2
248.33725	2.2
277.25674	2.3
279.23218	3.8
287.23767	4.5
305.24759	11.4
323.12900	2.4
323.25879	16.6
324.10953	2.3
327.46414	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68233	4.5
53.03933	5.5
55.01872	9.5
55.05516	45.4
57.03436	6.7
67.05509	70.8
69.03439	10.1
69.07062	26.4
79.05498	52.8
81.03390	5.9
81.07066	77.1
83.01314	6.6
83.04988	16.9
83.08630	14.0
85.06555	6.8
91.05474	46.9
93.07038	63.1
95.04973	22.2
95.08603	51.4
97.06569	8.5
98.21527	10.7
105.07021	44.9
107.04952	13.1
107.08591	48.1
109.06506	16.2
109.10149	41.2
111.04459	8.1
111.08092	12.3
117.07034	15.9
119.08580	20.4
121.06511	18.5
121.10157	17.3
123.04432	4.8
123.08096	9.3
123.11711	15.7
125.09636	7.6
129.07019	8.2
131.08580	15.2
133.06503	15.7
133.10153	63.0
135.08014	6.9
135.11731	6.3
137.06003	5.7
138.09666	4.7
139.07539	7.6
142.07841	5.1
143.08612	12.5
145.10153	16.0
147.08051	16.1
147.11673	9.5
149.09656	10.6
151.11194	58.8
157.10071	8.4
159.11737	8.7
161.09665	18.0
161.13196	7.5
163.11250	5.5
165.09087	7.3
171.11754	7.0
175.11183	8.1
179.10747	8.5
183.13849	20.0
189.12761	7.5
207.13863	8.5
229.14383	5.9
241.75931	4.8
245.19031	19.4
255.17419	10.4
263.20175	25.3
273.18463	48.6
291.19562	100.0
291.22739	4.1
305.21161	10.1
319.60757	4.7
323.22095	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	11.6
53.37429	4.9
55.01881	21.8
55.05518	41.9
57.03444	8.1
67.05513	79.9
67.18792	4.6
69.03417	11.5
69.07086	22.0
79.05508	66.3
81.03430	7.3
81.07055	89.5
83.01353	8.2
83.04986	28.5
83.08638	12.1
85.06561	14.2
90.38215	5.0
91.05487	55.8
93.07053	69.2
94.84777	4.5
95.04982	15.9
95.08616	41.3
97.06535	12.6
105.07041	78.4
107.04958	14.7
107.08605	65.9
109.02896	5.4
109.06520	16.8
109.10170	57.4
111.04448	10.1
111.08054	15.8
117.07050	11.1
119.08591	27.3
120.59884	4.6
121.06513	21.7
121.10139	22.1
123.04452	5.6
123.08074	5.6
123.11710	15.2
125.05987	7.6
125.09671	4.4
129.07040	9.0
131.08543	25.4
133.06476	18.3
133.10138	100.0
135.08086	12.4
135.11679	12.7
137.06015	10.2
137.09605	7.0
139.07545	11.1
143.08601	11.0
145.10152	8.9
147.08083	13.3
149.09624	10.9
151.11189	96.2
159.08069	5.7
159.11713	5.6
161.09622	18.8
163.11165	5.7
171.11690	11.8
173.09648	5.3
175.11157	9.2
177.09090	10.5
179.10654	11.3
181.08589	6.4
183.13811	23.0
210.48239	4.9
223.13358	5.7
245.19075	20.3
255.17479	5.6
263.20129	16.4
273.18442	50.9
291.19531	80.9
294.52469	4.9
305.21103	16.8
323.22208	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01862	8.1
55.05509	34.3
57.03420	2.1
59.76085	1.8
60.34624	2.1
67.05502	17.2
69.03416	4.9
69.07079	16.6
71.04994	1.8
75.81427	1.8
79.05487	22.0
81.03412	3.8
81.07061	18.7
83.04997	2.7
83.08619	14.8
91.05479	11.5
93.07039	15.3
95.04962	7.5
95.08619	12.3
97.06531	3.7
97.10165	32.8
98.21526	6.3
105.07009	11.5
105.70321	2.2
107.04941	5.3
107.08601	17.1
109.02829	2.2
109.10155	6.2
111.08095	2.5
117.07013	6.2
117.37133	1.8
119.08585	11.7
121.06481	3.8
121.10110	3.6
123.08068	12.8
125.09628	33.0
131.08592	3.8
133.06479	2.4
133.10156	4.1
135.08035	8.3
136.53812	2.0
137.09589	3.4
143.08575	4.8
145.10091	4.3
147.08040	5.3
147.11679	4.2
149.09592	2.2
153.09007	4.3
157.12189	2.3
161.09575	2.1
163.11186	4.0
163.73978	1.8
165.09126	4.2
171.11734	1.9
176.47601	1.8
193.12315	4.0
195.11763	2.4
203.12770	18.6
223.13271	8.0
251.04266	1.9
262.98453	2.1
273.18555	15.1
273.74979	1.8
291.19540	100.0
295.05273	2.2
305.21140	29.3
323.22089	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	2.8
55.01866	6.8
55.05510	29.4
62.06089	8.3
67.05509	17.4
69.03426	4.9
69.07072	17.2
69.25350	17.3
69.25754	4.2
79.05505	17.0
81.03403	2.2
81.07072	17.8
83.08621	13.9
91.05488	9.5
93.07030	13.4
95.04990	7.9
95.08604	8.1
97.02899	2.3
97.06558	2.8
97.10175	26.3
98.21153	11.5
100.16336	2.6
105.07034	6.2
107.04967	2.7
107.08598	17.2
109.10197	2.9
111.08078	3.5
114.32937	2.1
117.07042	3.8
119.04920	3.1
119.08575	7.1
121.10189	5.9
123.08037	4.4
125.09642	24.4
129.06941	2.6
131.08575	7.2
133.06480	4.1
133.10138	5.0
134.23083	2.2
135.08070	4.6
145.10132	6.7
147.08090	6.8
153.09097	2.6
158.87587	2.1
159.11655	2.6
161.09676	2.4
165.09164	2.8
175.11255	2.5
199.11316	2.2
203.12817	7.3
205.78827	2.2
216.59598	2.3
223.13292	9.6
260.70850	2.3
273.18497	8.3
291.19559	100.0
292.19873	2.7
304.00171	2.4
305.21085	29.9
323.22256	8.7
325.94357	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	322.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62345	2.7
53.03937	3.8
55.01873	6.8
55.05511	9.4
57.03429	8.9
57.88598	2.1
64.95947	2.1
65.03944	2.8
66.54501	2.3
67.05500	9.8
69.03415	8.7
69.07065	6.9
69.56020	8.7
69.56449	6.9
71.05001	2.5
78.22411	2.2
79.05499	33.1
81.07065	45.9
83.04973	5.5
85.02907	9.5
91.05479	16.4
93.07036	10.4
93.72618	2.3
95.01357	14.2
95.04989	13.1
95.08609	3.9
97.06541	20.4
105.07018	8.3
107.04936	7.0
107.08597	5.5
109.06517	35.2
110.02784	2.3
111.00852	3.4
111.04453	3.1
111.08058	5.0
113.02385	7.6
117.07024	7.8
119.04947	5.7
119.08584	9.5
121.02995	2.4
121.06491	7.8
121.10132	2.9
122.02409	2.9
123.04433	4.6
125.02313	3.5
125.05925	5.3
129.06987	4.5
131.08540	3.5
133.06546	3.0
135.08063	7.5
136.07584	7.5
137.05974	9.2
137.07912	6.9
139.03917	11.7
140.07095	3.7
141.01840	4.0
141.05449	2.8
142.08496	2.5
145.06490	4.4
147.08054	15.5
149.05911	3.6
151.07474	2.2
153.01849	4.7
153.63036	2.3
155.07060	4.1
161.05995	2.8
162.05507	2.8
163.06070	4.4
163.07544	14.4
165.05551	2.2
165.09105	27.4
167.07095	3.2
175.07585	7.7
177.05507	3.8
181.08646	9.0
183.10129	5.6
191.07024	3.3
193.08618	29.3
197.04466	7.6
199.09618	15.7
209.08121	14.8
211.09732	19.8
218.49666	2.5
227.09094	11.5
237.07625	10.0
244.06056	2.3
255.08672	100.0
259.11401	3.2
269.10162	4.6
273.09610	4.0
287.11206	5.8
304.08362	3.2
304.13727	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	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	35.9
55.05515	33.9
57.03437	27.9
67.05516	100.0
69.03447	10.6
69.07087	43.2
71.04993	9.2
71.15495	17.5
79.05500	56.2
81.03433	19.5
81.07062	81.2
81.40864	6.8
83.04999	19.7
85.06561	24.5
91.05490	45.1
93.07050	47.8
95.04974	54.8
95.08621	56.6
97.06530	47.8
97.10190	9.2
105.07027	32.7
107.04982	11.1
107.08600	38.3
109.06512	40.0
109.10168	27.1
111.04456	9.4
113.06011	71.2
116.74544	7.1
117.07019	16.2
119.08577	32.0
121.06548	6.5
121.10146	18.4
123.08083	18.0
123.78176	7.2
125.09641	11.7
129.06990	7.3
131.08598	23.9
133.10158	28.3
135.08070	35.8
135.11693	12.5
137.09668	16.7
137.10869	7.1
139.07545	8.5
145.10130	16.5
147.08102	9.0
147.11705	10.0
149.09663	14.8
151.11241	12.3
151.22838	7.4
157.10188	8.6
161.09587	11.5
161.13231	9.2
163.11127	8.9
178.77542	6.5
217.15955	11.2
234.99739	8.4
263.20169	12.3
273.18613	44.2
291.19592	86.3
305.20932	9.8
323.21973	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	322.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31987	2.5
53.03935	3.8
54.03167	2.0
55.01870	5.0
55.05499	7.8
55.81061	2.3
57.03423	7.5
58.75624	2.6
62.43089	2.6
67.05499	10.7
67.30537	2.2
68.32101	2.2
69.03421	11.5
69.07063	12.1
70.85503	5.2
72.55981	2.1
79.05496	34.3
81.03436	2.3
81.07060	52.4
83.04976	3.4
85.02898	8.7
86.09692	4.1
91.05482	15.9
93.07039	13.5
94.06578	2.6
95.01330	13.4
95.04967	11.1
95.08605	5.0
97.02909	3.1
97.06535	23.4
99.04491	2.9
103.05460	3.5
105.07021	7.5
107.04924	7.1
107.07339	5.2
107.08579	6.6
109.06519	28.2
109.10124	4.5
111.04417	5.1
111.08073	3.4
113.02383	2.9
117.06997	7.9
119.04944	9.1
119.08583	11.7
121.06497	14.0
123.04415	5.5
123.08085	4.1
124.07586	2.6
125.05943	6.2
131.08563	6.5
133.06477	5.3
135.04381	3.9
135.08038	5.0
136.07527	10.4
137.05995	8.2
137.07913	10.8
137.09586	2.4
139.03937	14.1
139.04773	2.4
139.07481	3.2
141.01813	2.9
141.05455	4.0
142.08643	2.8
143.08969	2.7
145.06470	5.6
147.08046	9.3
149.06055	4.4
151.03897	3.2
151.07494	3.7
153.01819	6.8
155.07001	5.4
162.05530	5.5
163.05904	7.9
163.07529	14.5
164.06810	2.4
165.05455	2.8
165.09120	24.9
167.07071	3.5
168.05499	2.8
173.06015	3.2
175.07481	5.2
180.64023	2.7
181.07065	2.9
181.08597	6.9
183.10133	5.7
191.07069	5.4
193.08615	25.8
197.04424	6.6
199.09697	16.6
209.08119	13.6
211.09705	17.8
213.07561	2.7
227.09111	8.7
237.07555	5.9
241.10733	2.6
255.05983	5.5
255.08647	100.0
259.11551	7.8
273.09637	3.1
286.12561	4.8
287.11221	4.8
304.13748	28.8
304.19086	3.5
322.05508	4.1
322.09061	4.5
322.20566	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	322.1438
Annotation	Pyriproxyfen
Peak:m/z	Relative Intensity
51.02376	0.5
53.03936	0.9
55.20707	0.2
56.51820	0.2
69.85839	1.2
77.03939	0.4
78.03445	2.0
79.05488	0.4
91.05501	1.2
95.04975	0.9
96.04497	100.0
97.04831	0.7
98.20718	0.3
98.21314	0.7
105.04528	0.5
105.07043	1.4
105.50330	0.2
115.05470	0.9
119.04948	6.5
128.06241	0.9
129.07013	7.0
129.07925	0.4
133.06500	2.1
134.07278	7.0
136.07611	1.7
141.06987	1.2
157.06528	0.9
168.19824	0.3
168.48184	0.2
181.06592	0.4
185.05991	12.6
186.06721	0.3
187.21532	0.3
198.06706	0.3
199.07607	1.2
199.23322	0.3
209.09631	0.4
227.10661	9.3
235.25655	0.3
246.85432	0.3
256.01627	0.3
322.14410	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	321.2426
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
53.03937	2.7
55.05506	12.5
57.07067	7.7
59.05005	2.3
67.05226	2.4
67.05511	25.1
69.03418	8.9
69.06741	2.4
69.07080	38.4
69.22706	3.8
69.23104	18.7
71.05015	4.6
71.08619	2.9
74.72281	2.2
79.05508	14.7
81.07063	100.0
83.04987	2.5
83.08620	9.6
85.06538	3.6
91.05496	14.9
93.07045	30.5
95.04984	4.8
95.08614	44.5
97.06500	4.0
97.10158	3.8
105.07045	26.9
107.08602	34.4
109.02882	5.6
109.06513	3.0
109.10167	47.8
110.55806	2.5
111.04443	2.6
111.11702	2.8
119.08578	23.4
121.06511	6.4
121.10150	33.5
123.07993	2.8
123.11703	36.8
129.07048	3.1
131.08578	10.4
133.10139	25.4
135.08049	3.5
135.11710	18.0
137.09613	9.4
137.13240	8.2
139.07574	2.3
139.11200	4.7
141.12776	2.5
145.10146	13.1
147.08038	7.8
147.11665	15.0
149.09616	6.3
149.13272	5.2
151.11256	4.9
157.10219	3.8
159.11694	13.2
161.09627	20.7
161.13307	6.0
163.11157	5.0
165.09132	9.1
165.12752	3.3
167.10706	4.8
173.09634	2.8
173.13272	4.5
175.11206	6.2
175.14865	7.0
177.09013	3.2
179.10629	6.3
186.96707	2.5
187.14845	5.8
191.10649	4.2
191.17894	4.4
193.12318	2.7
193.15909	3.4
199.14935	2.8
201.16374	5.8
203.14401	2.6
211.14938	3.5
229.15927	3.7
253.80434	2.5
257.22617	5.2
285.22144	9.3
303.20209	2.8
303.23172	18.8
321.05054	5.5
321.24207	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	321.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37849	2.9
69.82587	17.3
71.49303	3.4
80.33241	2.8
82.44395	3.3
101.00919	17.5
105.62875	2.9
113.00916	6.9
115.02427	5.6
116.07127	3.3
119.01937	12.2
125.72893	3.5
131.01930	8.0
133.03462	8.0
143.01901	6.6
145.03513	4.6
150.16281	3.3
155.01938	4.4
159.05042	6.6
168.99895	5.2
171.05098	9.4
173.02908	4.8
180.03424	3.5
187.00914	7.6
189.02475	3.3
201.06049	5.0
215.00374	7.5
221.05060	7.5
230.19958	3.0
232.45143	3.1
233.05173	3.5
247.03015	15.7
261.08282	8.8
279.09363	18.9
321.11972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2425
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
53.03949	2.0
55.01884	0.6
55.05516	7.8
57.03452	0.7
59.04999	3.9
65.03932	0.8
67.05508	11.6
67.42711	0.5
69.03430	0.8
69.07072	6.1
70.82159	0.5
70.98464	0.8
70.98788	0.7
71.04993	3.7
72.75574	0.6
73.06546	1.8
79.05071	1.0
79.05500	12.5
81.03404	0.9
81.07060	14.7
83.04969	0.8
83.08622	2.9
85.06528	1.8
90.22587	0.5
91.05484	18.0
93.07045	11.8
94.04180	0.5
95.04974	2.2
95.08607	8.9
96.37795	0.5
97.06514	2.9
97.10160	1.2
99.08117	0.9
103.05460	1.1
105.04574	0.6
105.07040	20.6
107.08598	8.2
108.05721	1.1
109.06530	10.3
109.10174	3.9
110.07312	1.0
111.08091	2.3
113.09629	0.6
117.07014	5.0
119.08592	17.1
121.06489	2.8
121.10136	3.8
123.08084	11.2
123.11676	0.8
125.09628	0.7
129.06985	1.0
131.08582	5.5
133.10150	8.3
135.08054	4.3
135.11685	1.7
136.08859	1.0
137.09637	4.3
139.11198	0.7
143.08546	1.3
145.10144	5.0
147.11699	6.8
149.09624	3.3
149.13277	0.7
151.11189	16.2
155.08488	0.7
157.10081	1.6
159.11716	3.4
161.13266	2.5
163.11157	3.0
165.12810	3.7
169.10059	0.8
171.11696	1.3
173.13289	3.2
177.12788	1.3
179.14233	0.8
183.11687	0.8
187.14839	0.7
190.01399	0.5
197.13255	1.3
220.58598	0.6
229.07486	1.3
239.17975	1.2
247.08560	0.7
257.19153	0.9
269.10333	0.6
269.17380	0.6
279.19504	0.9
289.21652	10.2
321.05029	0.9
321.24265	100.0
322.24640	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42891	1.9
56.96561	4.8
57.82861	2.1
63.46080	1.9
65.79428	2.1
69.03449	3.1
69.94849	7.4
70.06590	8.4
70.99862	2.3
72.08160	1.9
73.01427	3.5
81.03429	3.8
82.59815	1.9
82.99831	10.4
85.02900	4.1
88.87946	2.0
91.02469	4.1
93.07047	1.9
97.01405	6.3
98.97569	4.9
101.00883	85.2
103.00645	2.5
103.02446	2.6
113.00880	25.7
115.02441	23.9
116.07098	6.2
117.03986	3.4
119.01927	100.0
126.98808	3.0
127.02337	3.1
129.03992	4.9
131.01906	31.7
133.03477	36.0
137.02965	7.7
139.87421	1.9
143.01910	17.0
144.99869	5.4
145.03452	7.2
147.01405	2.7
147.05011	2.9
149.02956	4.0
150.96864	2.6
151.04492	4.8
153.01891	3.5
155.01915	8.6
157.03485	8.4
159.01399	4.3
159.05054	4.6
161.02975	21.9
163.04559	2.5
168.99821	27.1
171.01404	11.7
171.05048	6.6
173.02971	23.3
175.00833	2.5
175.04547	4.9
177.02420	4.1
183.01427	4.9
185.03018	2.6
187.00897	44.5
187.04483	3.4
189.02477	18.8
189.06061	2.4
191.02492	2.4
191.04036	16.8
196.99339	17.2
199.04482	2.7
201.02472	17.4
203.04010	5.3
205.01932	11.4
215.00383	57.0
217.02040	5.5
217.05611	1.9
219.01675	6.8
219.03561	14.8
221.05099	8.4
229.01974	43.0
231.03477	8.6
233.01462	5.6
233.05067	23.7
237.02924	3.2
247.02989	93.7
249.04671	7.1
253.07797	4.8
261.04669	4.0
261.08255	8.0
265.04025	13.5
279.05954	3.6
279.09259	13.4
289.04037	18.4
307.05045	2.4
321.01636	2.2
321.06677	14.2
321.10559	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	320.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91512	1.0
54.24056	0.9
55.01868	3.2
56.05033	1.5
56.96577	7.7
57.03439	1.8
60.04534	1.7
61.01140	1.3
61.02920	1.7
62.94043	1.1
67.05498	2.7
69.03419	3.3
69.07079	4.8
70.06601	17.3
71.04975	1.2
71.08608	1.7
71.49955	1.6
72.08147	2.1
74.06076	1.8
80.47486	1.2
81.03403	3.3
84.04498	4.8
84.08150	5.3
85.02905	6.0
86.09705	5.2
88.11274	5.8
91.05482	1.6
94.06574	11.3
95.04947	1.5
95.07310	2.0
96.04499	9.3
96.08136	3.8
97.02899	2.5
98.06049	11.8
98.97582	5.6
99.04482	1.0
102.05559	3.0
104.05306	2.7
107.04903	1.4
109.02872	2.3
110.06055	1.4
110.07154	1.1
110.97601	0.9
112.07610	9.8
112.41673	0.9
114.05534	21.3
116.07079	2.6
116.98596	2.3
121.06523	1.7
122.06011	2.5
126.05510	3.2
127.03860	2.0
130.06567	1.0
130.08640	2.9
132.95831	1.2
136.07578	1.1
137.05963	1.9
138.05482	1.6
138.09135	6.5
139.03903	1.3
140.07074	53.9
147.11346	2.0
150.49681	0.9
152.04208	1.9
153.01790	3.1
156.06499	1.4
158.08138	100.0
168.10176	1.9
173.12833	3.9
189.04327	1.8
192.49667	1.0
231.03011	1.3
233.99312	1.8
234.99051	1.3
237.02808	2.1
240.12257	3.5
253.11105	5.7
258.13354	6.2
260.06866	1.4
267.06384	1.3
271.12076	5.1
279.07553	2.4
297.10059	4.2
302.12088	4.7
303.08945	1.2
315.11063	2.9
320.07147	3.1
320.12915	3.5
320.16556	2.3
321.14359	1.5
342.67413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0607
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
55.01852	1.9
55.05495	1.4
56.96558	2.2
59.94175	1.6
65.03930	6.7
67.01862	2.3
67.05473	1.8
68.99788	8.5
69.00114	1.5
69.03418	4.7
71.04979	1.3
71.50451	1.8
81.03418	3.7
81.07085	1.3
83.01357	2.2
83.04992	2.0
84.04482	1.2
84.71879	1.3
85.02907	11.6
91.05454	1.7
93.03391	3.1
95.04976	1.3
97.02899	6.4
98.97594	1.8
107.04923	1.5
109.02877	3.2
111.00822	5.2
111.04449	9.2
114.05521	1.8
117.07000	1.9
121.02868	14.3
123.04428	3.6
125.02326	3.6
127.03910	10.5
131.04930	2.1
131.37918	1.4
132.95790	1.7
133.02859	2.2
136.07549	1.8
137.02316	1.9
138.05476	2.5
139.03912	50.5
145.04955	2.6
145.06499	4.4
147.04401	3.0
149.02350	58.7
150.03137	7.9
151.03909	5.6
152.07161	1.8
153.01837	100.0
153.05411	3.2
159.04480	1.6
162.09148	1.4
163.03914	9.5
164.07082	1.8
165.01883	2.1
167.03418	13.4
171.02910	2.8
173.05952	7.4
177.01891	2.8
183.02927	1.8
183.04428	5.4
191.03404	5.1
193.04973	2.0
195.02907	20.1
201.05489	11.6
203.03325	2.7
205.04929	2.8
215.03276	1.6
219.02942	17.3
229.04997	23.8
234.99069	2.4
239.11612	1.7
243.11311	1.5
247.06042	34.3
257.04541	6.6
261.03903	3.6
267.11255	1.5
275.05515	64.6
276.05911	1.6
285.03876	2.7
285.12454	1.7
303.05035	20.1
303.10138	1.5
303.13330	6.2
321.06161	12.1
321.10925	2.1
321.14487	11.0
322.12595	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2632
Annotation	Methyl arachidonate
Peak:m/z	Relative Intensity
52.62919	1.1
53.03934	5.0
55.05517	15.2
57.07080	3.2
65.03926	1.7
67.05508	44.4
69.07075	15.9
71.04989	1.5
71.08629	1.4
79.05501	68.3
79.17339	1.3
81.07065	52.0
83.04995	1.5
83.08612	8.3
85.06511	1.5
89.06021	1.3
91.05492	25.8
93.07052	100.0
95.04966	4.0
95.07992	1.5
95.08612	38.1
97.06512	3.1
97.10167	4.5
105.04536	3.1
105.07042	16.5
107.08603	58.5
109.06529	1.8
109.10157	16.4
111.08129	1.8
117.06978	2.0
119.08603	9.5
121.09230	1.5
121.10149	52.0
123.11749	3.2
131.08577	5.0
133.10143	8.5
135.11708	52.2
137.09628	1.4
143.08556	2.7
145.10143	4.4
147.11719	5.4
149.09734	1.3
149.13268	37.3
153.01855	3.0
157.10141	2.0
159.11748	2.6
161.13263	2.8
163.11211	2.7
163.14821	14.3
171.11777	1.6
173.13283	3.2
175.14751	2.1
177.12814	1.5
177.16455	2.7
185.13203	1.9
187.14886	2.9
189.16397	1.4
191.14252	1.7
201.16382	1.2
217.05032	1.6
223.16922	1.6
229.01949	1.4
237.18585	1.9
263.20041	2.3
269.22614	1.4
270.17160	1.3
277.21631	1.8
287.23749	6.8
319.04556	8.5
319.26355	61.1
319.29938	2.8
320.26590	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2272
Annotation	(+/-)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid
Peak:m/z	Relative Intensity
52.63824	0.8
53.03945	1.6
54.06676	0.7
55.01871	1.2
55.05518	7.2
57.03427	1.6
57.07056	1.2
57.92228	0.7
59.04994	1.7
65.03931	2.0
67.01875	1.0
67.05505	8.8
68.99804	3.7
69.03432	7.1
69.07079	7.9
70.06593	1.1
70.67122	2.4
71.04982	2.8
74.54956	0.7
79.05496	7.9
81.03431	1.2
81.07062	22.8
83.04977	2.9
83.08610	2.4
85.06543	1.9
91.05057	0.8
91.05492	7.8
93.07052	17.1
95.04961	5.3
95.08624	15.6
96.92149	0.7
97.06554	4.4
97.10174	5.6
100.11283	1.7
105.06398	1.2
105.07035	14.7
106.05244	0.9
107.04964	1.4
107.08601	17.9
109.02878	3.3
109.06524	4.1
109.10165	12.5
111.00808	5.4
111.04455	1.9
111.08049	2.0
111.11705	1.3
117.07008	3.3
119.07806	1.2
119.08589	12.4
121.02888	0.9
121.06508	4.9
121.10152	13.8
123.08064	3.0
123.11720	4.6
125.09628	5.6
127.11266	0.8
131.08559	3.9
133.02827	1.2
133.06465	1.8
133.10144	11.3
135.08081	4.1
135.11685	7.4
137.02362	4.9
137.09567	3.9
137.13202	1.2
139.03868	2.3
139.07526	0.9
139.11156	1.7
143.08560	2.3
145.10139	8.0
147.08054	2.3
147.11688	4.9
149.02347	2.0
149.09616	3.5
149.13264	4.0
151.03911	1.5
151.11186	3.3
153.01837	33.4
156.09334	1.0
157.10143	3.9
159.11684	7.0
161.06004	1.7
161.09624	4.9
161.13187	3.7
162.05574	0.9
163.03807	1.0
163.11191	5.3
165.01851	8.0
165.09157	1.2
165.12799	1.2
166.02681	1.1
166.05008	1.4
169.10124	0.9
171.04472	1.3
171.11658	2.1
173.09697	1.0
173.13312	4.1
175.03763	1.1
175.11197	3.9
175.14850	1.9
177.05385	0.7
177.12750	1.7
177.16348	1.1
179.03439	2.8
179.10687	1.0
183.02917	2.0
185.13283	2.4
187.14835	2.7
189.05513	2.5
189.12743	1.8
189.16389	2.3
191.14325	1.1
191.17970	1.4
194.04459	3.7
195.13766	0.8
197.13309	1.0
199.03938	1.2
199.14890	3.5
201.12650	0.8
201.16402	2.9
203.03415	1.8
203.14334	2.2
207.02905	1.6
211.14807	1.5
213.16490	1.2
215.14458	0.9
215.17836	1.1
217.04984	8.0
219.02832	0.7
219.17476	2.3
227.17726	1.1
231.06673	0.9
243.17357	0.9
245.04460	10.3
255.02849	1.8
255.21008	2.1
259.05823	0.8
263.05331	1.2
265.19592	1.3
273.03946	7.3
273.22116	4.6
283.20529	5.5
290.04202	1.6
291.23218	1.1
301.03329	1.9
301.11841	23.3
301.21567	12.6
319.04501	100.0
319.19199	1.4
319.22665	21.0
319.26422	1.1
320.04865	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0449
Annotation	Myricetin
Peak:m/z	Relative Intensity
50.93380	0.2
55.01875	0.9
55.05493	1.0
65.03944	0.4
66.00203	0.2
67.01858	0.5
67.05493	1.2
68.99447	0.4
68.99792	4.5
69.03433	1.3
69.07061	1.1
70.67284	0.4
70.67597	0.4
71.04974	0.4
79.01837	0.4
79.05480	0.8
81.03413	0.7
81.07062	2.3
83.04990	0.5
83.08603	0.3
85.06533	0.4
90.02193	0.3
91.05480	0.9
93.03397	0.6
93.07066	2.1
95.04964	1.2
95.08601	2.4
97.02880	0.8
97.06515	0.6
97.10139	0.3
99.04443	0.3
103.05467	0.3
105.07037	1.8
107.01306	0.3
107.08620	1.7
109.02869	3.0
109.06515	0.6
109.10174	1.5
111.00813	4.5
111.04430	0.8
115.05474	0.4
119.08582	1.2
121.02868	0.5
121.06509	0.9
121.10146	1.2
123.04408	0.6
123.07988	0.6
123.11739	0.7
125.02374	0.4
126.03157	0.3
127.03902	0.9
131.08585	0.5
133.02887	1.4
133.06512	0.5
133.10139	1.1
135.04393	0.3
135.08046	1.0
135.11679	0.6
137.02361	4.2
137.09636	0.8
138.09152	0.4
139.03899	1.1
139.07532	0.4
143.08554	0.3
145.10098	0.8
147.04434	0.6
147.11665	0.8
149.02374	0.3
149.09633	0.7
151.03951	0.4
151.11221	0.4
153.01836	22.0
153.05405	0.5
157.10059	0.3
159.11702	0.9
161.02338	0.6
161.05978	0.9
161.09650	0.5
163.03784	0.3
163.11218	0.9
165.01845	6.6
165.09138	0.4
165.12852	0.3
166.02623	1.0
167.03412	1.0
171.04454	0.8
171.11824	0.3
175.03944	0.6
175.11142	0.4
175.14804	0.3
177.05470	0.9
177.09175	0.3
177.12794	0.3
179.03406	3.6
182.04532	1.5
183.02910	1.7
189.05457	1.6
189.16383	0.3
191.14299	0.3
193.01379	0.6
195.02914	1.3
199.03918	1.1
203.03351	1.7
207.02882	0.7
207.06674	0.3
209.04471	0.3
217.04964	9.2
219.02962	0.5
221.04419	0.6
227.03380	1.0
229.04982	0.7
231.02872	0.7
235.06058	0.6
244.03754	0.9
245.04482	10.3
255.02979	1.3
263.05551	1.1
272.03146	0.5
273.03937	8.8
273.12228	0.4
284.32855	0.3
290.04160	2.2
301.03543	1.8
301.11823	0.9
301.21683	1.1
319.04498	100.0
319.22675	3.0
320.04758	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0449
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01873	0.5
56.86765	0.3
60.83748	0.3
65.03936	0.7
67.01855	0.5
68.99793	4.5
70.84994	0.4
70.85323	0.6
74.11751	0.3
77.03918	0.4
81.03410	1.0
86.05740	0.3
93.03414	0.4
95.01286	0.3
97.02899	0.6
105.03382	0.4
107.01336	0.5
109.02878	2.8
111.00807	4.7
111.04459	0.6
113.18261	0.4
115.05455	0.4
121.02923	0.7
121.06557	0.7
125.02350	0.5
126.03134	0.7
127.03889	0.8
133.02870	0.5
133.06514	0.5
137.02351	5.1
139.03893	0.9
140.07529	0.3
143.03348	0.4
147.04445	0.8
153.01837	25.1
161.05984	0.7
163.03917	0.4
165.01860	5.4
166.02609	0.9
169.22408	0.4
171.04413	1.1
177.05547	0.6
179.03412	2.3
183.02937	1.7
189.05486	2.1
193.01358	0.5
194.02214	0.5
195.02858	1.2
199.03934	0.9
203.03392	1.7
207.02896	0.9
208.03703	0.4
217.04980	9.1
219.02928	0.9
221.04495	0.4
225.03226	0.3
227.03395	1.1
227.05528	0.3
229.04977	0.6
231.02829	0.4
232.03653	0.5
235.06137	0.6
235.53044	0.3
244.03795	1.0
245.04483	9.7
255.02956	1.2
262.05225	0.4
263.05499	0.9
272.03186	0.4
273.03940	7.1
273.06747	0.6
290.04175	1.9
301.03479	2.0
319.04504	100.0
320.04758	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0451
Annotation	Myricetin
Peak:m/z	Relative Intensity
53.03960	0.2
53.36139	0.2
55.01868	0.6
55.05508	0.4
59.91594	0.2
65.03940	0.8
67.01858	0.5
67.05509	0.9
68.99443	0.3
68.99795	4.7
69.03424	0.6
69.07064	0.4
69.84377	0.7
69.84784	0.3
77.08965	0.2
79.01857	0.5
79.05499	0.6
80.60877	0.2
81.03429	0.8
81.07051	0.8
91.05482	0.8
92.96202	0.2
93.03407	0.7
93.07043	0.9
95.01347	0.2
95.04951	0.8
95.08610	0.9
97.02877	0.7
97.06548	0.3
103.05460	0.4
105.07040	0.8
107.01258	0.2
107.04964	0.4
107.08609	0.6
109.02892	2.4
109.06547	0.4
109.10168	0.6
109.90193	0.2
111.00812	4.5
111.04439	0.6
111.08097	0.3
115.05454	0.3
117.07032	0.2
119.08604	0.7
121.02869	0.7
121.06501	1.2
121.10154	0.4
123.04427	0.3
123.08072	0.3
125.02352	0.6
125.09660	0.2
125.40211	0.2
126.03152	0.5
127.03939	0.9
131.04976	0.3
131.08556	0.2
133.02861	0.5
133.06581	0.4
133.10162	0.4
135.04379	0.4
135.08080	0.4
135.11725	0.2
137.02351	4.3
138.05534	0.4
139.03940	1.5
143.03407	0.3
145.06454	0.2
145.10156	0.3
147.04388	0.9
147.11668	0.3
149.05981	0.3
151.03920	1.1
153.01842	24.1
155.04895	0.2
157.10272	0.2
159.04491	0.3
159.11707	0.4
161.02328	0.3
161.06010	0.9
161.09543	0.2
161.13354	0.2
163.03915	0.7
163.11169	0.2
163.22920	0.2
165.01851	6.9
165.05502	0.2
166.02646	0.9
166.05017	0.5
167.03352	0.3
171.04422	0.7
171.08107	0.2
173.05954	0.2
173.13277	0.2
175.03932	0.6
177.05472	0.9
179.03398	2.8
179.07051	0.5
181.04991	1.1
182.05357	0.8
183.02882	2.2
189.05476	2.4
193.01285	0.6
193.04993	0.2
194.02092	0.2
195.02887	1.2
199.03951	0.9
201.05475	0.2
203.03409	1.9
204.04326	0.2
205.04950	1.5
207.02925	0.6
207.06624	0.4
209.04498	0.2
211.02383	0.2
217.04974	8.4
219.02945	0.7
221.04483	0.5
227.03369	0.9
229.04976	0.4
231.02841	0.5
232.03680	0.6
233.04532	0.2
235.02391	0.3
235.06047	0.7
244.03743	0.9
244.14243	0.2
245.04478	9.8
245.09256	0.7
246.05112	0.2
255.02872	1.3
255.11185	0.6
259.10760	0.6
263.05542	1.1
273.03961	8.6
273.11636	0.9
283.02371	0.4
283.10754	1.0
290.04211	2.1
291.04916	0.3
301.03534	1.7
301.11850	3.5
319.04501	100.0
319.22772	0.8
320.04752	1.4
331.87491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0448
Annotation	IRIGENOL
Peak:m/z	Relative Intensity
51.18594	0.2
55.01871	0.3
57.91690	0.2
65.03928	0.7
67.01865	0.4
67.53342	0.2
68.99445	0.4
68.99790	4.0
69.03419	0.6
71.16061	0.5
77.64549	0.3
79.01846	0.7
81.03395	0.7
82.94727	0.2
92.64835	0.3
93.03429	0.5
97.02877	0.6
103.05433	0.3
108.27058	0.2
109.02869	2.5
109.55295	0.2
111.00806	4.1
111.04436	0.3
115.05430	0.3
121.02879	0.3
121.06519	0.5
121.67110	0.2
122.72536	0.2
125.02343	0.7
126.03152	0.5
127.03906	0.7
133.02817	0.4
133.06494	0.4
135.04443	0.3
137.02338	3.7
139.03889	0.7
147.04402	0.7
149.05975	0.2
153.01830	22.8
161.02342	0.4
161.05934	0.5
161.76378	0.2
165.01825	5.2
166.02609	0.8
170.46533	0.2
171.04416	0.6
175.03879	0.4
177.05440	0.7
177.59799	0.3
179.03415	2.4
183.02888	1.7
189.05455	1.8
191.03381	0.3
193.01288	0.7
193.05080	0.3
195.02989	1.1
199.03894	1.3
203.03342	1.1
207.02919	0.7
217.04961	7.5
219.02943	0.6
221.04462	0.5
227.03348	1.2
229.04892	0.3
231.02867	0.6
235.02490	0.3
235.06044	0.7
239.01820	0.4
244.03847	0.4
245.04456	8.6
255.02803	1.2
260.71347	0.2
263.05548	0.6
272.03085	0.4
273.03915	7.3
283.02332	0.3
290.04269	1.8
301.03445	1.9
302.04507	0.2
319.04477	100.0
320.04700	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62214	0.3
65.03926	0.6
67.01866	0.4
68.99796	3.5
69.03420	0.7
69.07053	0.3
70.76281	0.4
70.76577	0.3
76.67381	0.3
79.01838	0.4
81.03410	0.7
83.40385	0.3
86.30409	0.3
91.05480	0.4
95.04994	0.3
97.02902	0.5
109.02876	2.1
111.00807	4.0
111.04427	0.9
115.05502	0.3
118.08640	0.3
121.02823	0.5
121.06512	0.5
122.06071	0.3
123.04401	0.3
125.02334	0.6
126.03143	0.6
127.03914	0.9
128.88972	0.3
129.06944	0.4
133.02881	0.5
134.85286	0.3
135.04424	0.3
137.02335	4.0
139.03900	0.8
140.07039	0.4
147.04425	0.6
149.02383	0.5
149.05972	0.3
153.01840	22.1
153.05458	0.7
161.06024	1.0
165.01848	6.7
166.02641	0.8
171.04419	1.1
174.52859	0.3
175.03889	0.5
177.05545	0.9
179.03406	3.2
183.02939	1.6
189.05447	2.7
193.01382	0.7
193.04918	0.3
195.02901	1.3
195.99086	0.3
199.03979	1.4
203.03424	1.5
207.02945	0.5
216.04239	0.4
217.04971	8.0
219.02882	0.4
221.04465	0.6
227.03352	0.6
228.10208	0.3
229.04965	0.7
231.02934	0.8
231.06505	2.7
232.03641	0.5
232.09535	0.3
235.02463	0.5
235.06046	0.7
244.03685	0.8
245.04466	9.2
254.03081	0.3
255.02898	1.2
259.10806	0.5
263.05524	1.2
272.03210	0.5
272.24811	0.3
273.03940	8.3
273.12247	0.3
274.10742	0.7
277.49167	0.3
283.02472	0.5
290.04224	2.1
301.03488	1.7
301.11853	1.0
319.04507	100.0
320.04807	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3003
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
55.05506	0.4
55.69182	0.3
57.07081	7.9
58.06590	1.8
70.04563	1.5
70.06596	18.6
71.08637	3.0
72.08170	0.7
72.60638	0.4
85.10191	0.9
88.07634	23.1
100.16006	0.4
102.09184	15.0
132.10213	1.0
146.11786	1.2
150.11319	0.8
161.81747	0.5
212.14316	0.4
212.23734	1.0
230.24818	0.4
256.26364	44.1
300.29007	3.5
318.30042	100.0
319.30359	1.7
328.60220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3004
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
55.05511	3.5
56.05043	13.3
57.07081	8.4
58.06600	3.2
60.04531	100.0
66.71834	0.8
67.05508	3.2
68.05019	0.9
69.07068	4.0
69.23839	0.7
70.06598	2.1
70.68690	1.5
70.68996	0.7
71.04983	0.9
71.08649	3.4
72.04531	1.2
74.06084	8.2
79.05496	1.9
81.07065	3.1
83.08630	3.9
85.10162	1.2
86.06081	1.4
88.07635	23.4
88.08160	1.5
90.05552	1.4
93.07045	2.3
95.08614	2.5
97.10184	2.4
109.10165	1.7
111.11705	0.9
118.08657	3.8
121.10154	1.2
122.08140	3.4
123.11762	0.9
130.43886	0.7
245.04349	0.9
252.26826	1.7
254.28517	1.1
256.26434	2.3
264.26929	2.2
270.27969	20.7
282.27951	16.4
300.28979	19.2
301.29370	1.0
318.30051	87.6
319.30313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.05510	0.5
57.03423	1.3
59.31242	0.5
61.02920	1.8
61.85421	0.4
67.05492	0.5
69.03431	3.1
69.07081	0.5
71.14733	0.6
72.08167	0.5
73.02902	0.8
78.23522	0.4
81.03415	1.7
82.06598	0.9
85.02915	7.3
87.04472	0.8
93.07055	1.6
95.08597	1.9
96.04512	3.0
96.08137	2.0
97.02905	3.1
97.05293	2.0
97.06528	1.6
98.42348	0.4
100.07639	1.1
109.02901	1.1
109.06510	0.8
110.06051	6.4
110.09682	4.0
111.08067	1.1
120.08125	0.6
121.06516	1.0
125.08369	0.9
126.09151	9.2
127.03926	1.2
138.05530	1.7
138.09149	21.4
139.07536	1.2
145.04965	0.7
153.01855	0.6
156.10211	100.0
157.10564	0.7
168.10228	1.1
180.10222	1.0
198.11259	1.2
222.11258	0.5
237.05533	0.5
255.06601	0.8
273.11636	0.4
318.15457	1.1
319.04639	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	2.2
57.03430	2.6
61.02915	10.1
69.03429	6.4
70.06598	3.4
70.16561	7.1
71.04977	3.0
72.08157	1.8
81.03416	10.3
82.03063	1.7
82.06586	2.2
82.99853	3.9
84.08109	2.2
85.02897	7.7
87.04501	1.9
97.02856	2.3
97.39420	1.7
98.09614	1.8
99.04441	3.8
100.00086	2.2
101.00881	27.4
109.02874	16.3
110.07159	4.8
110.97606	2.0
113.00891	2.9
113.06002	1.9
115.02421	5.2
119.01920	23.7
121.06569	2.3
127.02417	3.4
127.03922	3.1
131.01903	3.6
133.03459	7.0
135.02969	1.7
137.00792	1.9
137.06099	2.0
138.05519	11.6
138.09134	1.9
139.02412	6.2
139.03915	2.9
141.03900	2.2
142.01097	2.4
143.01889	15.6
145.03442	6.3
153.01834	4.6
156.06538	8.9
156.07716	8.0
157.03477	34.5
157.04738	2.8
159.01418	6.0
159.05087	2.1
160.02182	2.3
161.02956	19.4
163.04422	2.3
167.01868	3.0
169.03503	4.8
175.04504	15.5
178.46927	1.8
183.05081	3.7
184.02220	2.4
185.02995	16.3
187.04478	5.2
198.06136	5.4
199.04501	6.6
201.06104	3.5
203.03969	8.8
208.14066	1.9
212.05312	2.4
216.07164	3.5
217.05527	6.3
221.05161	2.9
227.04033	2.3
228.07275	2.5
235.06693	4.6
239.82681	1.9
245.05058	5.6
253.07722	2.4
255.95775	1.6
259.06683	3.8
277.07706	70.7
284.89850	1.7
295.08749	100.0
296.09137	2.5
318.10300	3.0
319.08371	3.0
331.05206	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	318.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69036	0.5
53.03943	1.2
55.05521	0.9
56.81934	0.6
56.96562	2.7
57.03418	2.0
60.08369	0.5
61.02918	2.3
62.25392	0.5
67.05498	1.2
68.05029	1.5
68.99789	0.7
69.03439	8.5
70.06593	2.7
71.04996	1.4
71.49994	0.7
72.04501	1.0
72.08162	6.1
73.02906	2.2
77.47652	0.6
81.03429	2.7
82.06583	1.1
83.04973	0.8
84.04499	2.1
84.08148	1.5
85.02914	17.7
86.09711	10.9
87.04465	2.7
88.11269	0.9
91.03973	0.8
91.05495	0.9
94.06573	1.2
95.01306	0.6
96.04500	20.5
96.05119	1.0
96.08125	0.7
97.02901	6.5
98.97597	2.5
99.04458	2.0
100.07613	0.7
107.08607	0.5
109.02880	2.4
110.06057	4.6
110.97580	0.7
111.04459	2.9
112.07607	0.5
114.05537	2.6
115.03915	0.7
116.98638	0.9
121.02888	0.8
122.06038	2.5
123.04478	0.9
124.07599	1.2
125.02354	0.7
127.03923	2.7
130.08669	0.9
136.07603	1.0
137.05992	1.6
138.05513	65.6
139.03925	7.6
139.06245	0.9
140.04250	3.2
140.07109	1.6
142.08687	0.5
143.11807	1.7
145.04959	2.1
145.06186	0.5
148.06026	1.2
151.03931	1.1
152.07129	0.7
153.01884	3.4
154.02190	1.1
154.08574	0.7
155.02608	0.8
156.06566	100.0
158.07979	1.2
158.99701	0.8
163.03928	1.0
164.07065	1.1
180.06496	1.0
182.08168	2.0
185.16513	3.1
197.12943	0.9
198.07599	1.2
201.12331	0.7
205.57423	0.6
213.16031	1.6
219.01770	0.8
237.02939	0.7
244.25136	0.7
256.26450	0.7
261.10577	1.4
268.09634	1.1
276.10992	0.6
300.10724	1.4
305.09052	0.9
318.07190	1.1
318.11850	13.1
318.15335	1.2
318.18915	0.8
318.30197	0.8
319.07101	1.2
321.92288	0.6
337.08246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.8
67.05486	0.4
68.99785	0.6
69.03413	0.5
69.66627	0.5
69.67054	0.6
72.84736	0.2
79.05479	0.4
81.03396	0.3
81.07063	0.4
91.05482	0.6
92.02624	3.0
93.03405	2.7
93.07025	0.4
94.04169	0.3
95.04984	0.4
95.08592	0.4
105.07003	0.6
107.04980	0.2
107.08598	0.4
109.02872	0.3
109.06453	0.2
111.00798	0.5
117.07024	0.3
119.08594	0.5
121.02876	2.2
122.03638	0.5
123.11715	0.2
124.01549	0.3
124.05216	0.2
126.03137	1.1
129.06987	0.3
131.04826	0.2
131.08444	0.2
133.02844	0.9
133.10069	0.2
135.04477	0.3
135.08168	0.2
137.02327	0.6
137.05988	0.9
139.03899	1.1
143.08501	0.3
145.06491	0.2
145.10114	0.4
150.03090	0.8
151.03914	1.3
151.07495	0.2
151.11101	0.2
153.01834	20.7
154.02135	0.2
155.02328	0.2
155.04915	0.4
157.10036	0.2
161.09656	0.2
161.13152	0.2
163.03885	0.8
165.01840	1.1
165.05463	1.1
166.02611	0.3
167.07060	0.2
173.05963	0.3
175.11122	0.2
177.01738	0.2
177.05452	0.6
179.03397	0.6
183.02910	0.3
183.04424	0.4
184.93532	0.2
187.03963	0.4
188.46837	0.2
189.12788	0.2
190.06262	0.3
191.03334	0.2
200.04654	0.5
201.05472	1.7
203.03413	1.5
204.04242	0.3
205.04970	0.4
207.85718	0.2
217.04942	3.3
217.99664	0.2
218.05739	1.3
219.02943	0.5
228.04170	3.4
229.04980	4.6
231.02937	1.0
232.03711	0.6
239.03412	0.2
243.06366	0.3
245.04468	3.7
246.05258	2.9
250.54997	0.2
251.45471	0.2
255.41060	0.2
256.03714	0.5
257.04465	3.2
259.02252	0.2
260.03232	0.5
261.07605	0.5
271.06042	0.5
273.03928	3.1
274.04721	7.4
275.05542	0.2
284.03229	0.8
285.03931	5.6
286.04599	0.3
287.01999	0.2
288.06299	0.2
299.05771	0.2
299.09061	0.5
301.03455	0.6
302.04224	25.0
303.04620	0.5
317.06564	100.0
318.06937	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
57.07081	0.4
64.55180	0.3
67.05506	1.1
68.24865	0.3
68.99823	0.3
69.03410	0.6
69.07088	0.6
70.56644	0.7
71.04969	0.3
79.05502	0.9
81.03418	0.6
81.07062	1.4
91.05493	1.0
93.07052	1.4
95.05010	0.6
95.08622	1.6
97.06541	0.3
97.10139	0.3
105.07021	1.6
105.52167	0.2
107.04965	0.5
107.08615	1.1
109.06529	1.0
109.10166	1.2
111.04427	0.3
117.07001	0.4
117.64758	0.3
119.08604	1.1
119.66158	0.2
121.06510	1.2
121.10143	0.7
122.03671	0.6
122.06819	0.3
123.08080	0.4
131.08551	0.7
133.02869	1.0
133.06406	0.3
133.10110	1.3
135.04518	0.3
135.08102	0.6
135.11803	0.4
137.06007	1.2
137.09628	0.6
139.03911	1.2
143.08577	0.6
145.10153	0.8
147.04428	0.7
147.11694	0.6
149.09639	0.4
150.03127	1.0
151.03917	0.5
151.07533	0.6
153.01837	8.1
155.02277	0.4
157.10289	0.3
159.11688	0.6
161.09662	0.6
163.03876	0.5
163.11189	0.3
165.05516	2.2
165.09116	0.4
168.97041	0.3
169.10207	0.4
171.11641	0.4
173.13295	0.5
177.09161	0.3
179.03438	0.6
185.13242	0.4
192.04222	0.5
193.72591	0.3
198.50224	0.3
200.04694	0.6
203.03426	1.1
204.04097	0.4
211.03998	0.3
217.05002	0.7
228.04277	1.7
229.04994	0.5
232.03685	0.9
238.81030	0.3
256.03619	0.6
273.03934	1.8
273.20514	0.8
274.04739	33.4
275.05103	0.7
285.03793	0.3
299.09274	0.8
299.20111	0.9
302.04233	47.8
303.04620	0.6
317.06580	100.0
317.20593	2.4
318.06860	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.066
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
57.08424	0.2
64.36681	0.2
66.01082	0.5
68.99790	0.3
69.03436	0.3
69.45994	0.4
69.46406	1.3
71.25301	0.2
78.01083	0.4
92.02628	0.7
95.37651	0.2
108.02071	0.3
109.02882	0.3
110.03669	3.1
110.48259	0.3
121.02853	0.2
136.01521	0.3
137.02361	4.6
137.03433	0.4
139.03941	0.4
150.03148	0.5
151.03941	0.3
153.01822	3.3
155.02298	0.5
155.07040	0.3
161.09596	0.2
161.79430	0.2
162.64801	0.2
164.79842	0.2
165.01759	0.4
166.02573	0.3
171.04469	0.3
175.07605	0.3
176.04808	0.3
186.12811	0.6
187.03998	0.3
193.01311	0.9
200.04683	2.1
203.03435	0.3
204.04205	1.0
217.04973	0.7
218.05817	0.5
228.04195	7.0
229.04999	3.4
245.04480	3.5
246.05154	0.3
256.03671	1.2
257.00705	0.3
257.04483	1.9
258.18558	1.5
273.03854	1.4
274.04758	9.8
285.00711	0.5
285.03918	3.1
299.10104	0.3
301.03461	27.4
302.04233	79.6
303.04639	0.8
317.06583	100.0
318.07071	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.066
Annotation	3,5,6,7-Tetrahydroxy-4'-methoxyflavone
Peak:m/z	Relative Intensity
53.03939	0.7
55.01867	0.9
55.05505	0.6
56.87206	0.3
60.04530	2.5
61.04849	0.3
65.03932	0.6
67.01862	0.4
67.05501	1.1
68.99802	0.6
69.03420	0.5
69.07058	0.9
70.42191	0.3
70.79799	0.8
79.05484	1.1
81.03412	0.4
81.07063	2.6
82.07388	0.5
83.04971	1.1
85.06537	0.4
88.03988	1.2
91.05489	2.6
92.02631	3.2
92.05800	0.7
93.03416	3.5
93.07055	3.8
94.07390	1.0
95.04971	1.0
95.08595	1.1
103.05487	1.7
103.06059	0.4
104.05789	0.5
105.07040	1.7
106.05042	2.7
106.07390	0.5
107.04917	0.6
107.08607	1.2
109.02868	0.6
109.06539	0.5
109.10168	1.2
110.09666	0.3
111.04463	0.3
119.08607	1.3
121.02867	2.3
121.06518	24.3
121.10161	0.8
122.06847	7.0
123.04420	0.3
126.03130	0.7
133.10081	0.7
135.08099	0.5
135.11700	0.7
136.11229	0.7
137.02365	0.6
137.05959	0.9
137.09634	0.5
139.03918	2.8
143.08578	0.5
145.10103	0.6
147.07938	0.3
147.11702	1.0
148.12030	1.0
149.09648	1.2
150.12869	0.4
151.03967	2.0
151.07561	0.6
152.14359	8.3
153.01845	19.0
153.06883	0.3
153.14680	3.4
154.02197	0.5
155.02237	0.8
155.04932	0.5
156.81128	0.3
157.10150	0.4
159.11676	0.5
161.09589	0.4
163.03986	0.5
163.11197	0.3
165.01843	1.5
171.02934	0.4
171.11771	0.4
173.13239	0.3
175.11282	0.3
177.05518	0.7
179.03476	0.6
183.02963	0.4
187.03897	0.4
189.05594	0.4
191.10550	0.4
191.57533	0.3
196.16911	0.7
200.04749	0.8
200.10814	0.5
201.05478	1.3
203.03485	1.6
205.05119	0.4
217.04970	2.7
218.05771	1.3
218.11816	0.8
218.15364	0.4
219.03001	0.8
228.04189	4.2
229.03050	0.3
229.04976	6.8
231.02922	1.1
235.15295	0.4
243.06561	0.5
245.04527	3.7
246.05280	3.4
253.16298	0.8
256.03778	0.7
257.04483	4.6
260.03192	0.7
261.07666	0.4
271.06094	1.0
271.17285	0.4
272.20111	13.2
273.03940	3.1
273.20453	21.3
274.04724	7.6
281.15848	0.4
284.03262	1.1
285.03976	7.5
299.05676	0.8
299.09192	1.3
299.12622	0.3
299.16794	1.6
299.19791	0.4
301.03494	1.2
302.04239	23.8
316.19095	0.4
316.22766	10.9
317.06592	100.0
317.23203	24.3
318.07007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
51.50489	0.2
54.20268	0.2
65.03934	0.9
65.26683	0.2
67.05485	0.3
68.99781	0.4
69.03412	0.5
69.07051	0.2
70.80409	0.4
81.03418	0.3
91.05480	0.3
92.02630	3.2
93.03401	2.6
107.08605	0.3
120.02044	0.3
121.02863	2.4
122.03645	0.3
126.03138	1.4
133.02831	0.2
133.10078	0.3
137.02316	0.4
137.06009	0.4
139.03896	1.4
145.06502	0.3
149.02388	0.2
151.03865	1.2
152.01080	0.5
153.01831	19.2
154.02193	0.3
155.02335	0.3
155.04900	0.4
161.06059	0.3
165.01825	1.0
166.02666	0.2
173.05891	0.3
177.05489	0.6
179.03378	0.3
183.02936	0.2
183.04350	0.2
187.03868	0.3
190.06267	0.4
200.04718	0.7
201.05539	2.0
203.03387	2.0
205.04947	0.3
217.04955	3.1
218.05730	1.2
219.02870	0.9
228.04179	4.2
229.04968	7.4
231.02878	0.9
239.03459	0.3
243.06573	0.3
245.04477	4.2
246.05220	3.2
256.03827	0.3
257.04471	5.0
260.03098	0.7
271.06076	0.3
273.03964	3.1
274.04715	7.6
284.03149	0.8
285.03934	9.0
286.04431	0.3
287.01938	0.4
288.06488	0.3
301.03476	0.7
302.04227	22.9
317.06561	100.0
318.06870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.4
56.05017	1.4
57.07077	9.2
58.06588	0.7
60.04528	21.7
62.06060	0.4
65.93565	0.3
67.05524	1.7
69.07048	1.5
69.17681	0.3
70.06594	13.0
71.08636	3.7
72.04517	0.5
74.06065	1.7
77.58106	0.4
79.05473	0.9
81.07066	2.2
83.08627	0.6
85.10168	2.0
86.06054	0.5
88.07631	20.5
89.86609	0.4
90.05527	0.4
91.05470	0.9
92.99503	0.3
93.07037	0.8
95.08597	2.0
97.10191	0.6
98.21552	0.7
102.09180	4.8
105.07027	0.5
106.08668	9.6
109.10144	0.6
109.21234	0.3
116.97144	0.4
117.16796	0.3
147.11671	0.5
171.37665	0.4
172.95300	0.4
178.99773	0.4
254.28362	0.4
270.27911	0.8
272.29471	0.7
280.26401	3.0
298.27393	2.8
298.31018	7.0
316.28485	10.4
316.32062	100.0
317.32483	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0658
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
61.37195	0.2
66.01078	0.5
67.50521	0.2
68.99798	0.3
69.84488	0.9
71.01333	0.2
81.03402	0.2
81.07039	0.3
82.14306	0.2
86.10040	0.2
89.98048	0.2
91.27026	0.2
92.02637	0.5
93.03408	0.2
94.28563	0.2
98.21419	0.2
108.02104	0.3
110.03658	2.5
121.02875	0.5
122.03621	0.2
123.04430	0.3
128.35681	0.2
136.01550	0.6
137.02350	4.5
137.03383	0.3
145.10007	0.2
150.03072	0.4
153.01831	2.9
165.01828	0.4
166.02565	0.3
172.05222	0.4
176.30838	0.2
179.03372	0.2
187.63516	0.2
193.01234	1.0
200.04726	2.4
203.03368	0.6
204.04121	1.1
215.03458	0.3
217.04956	0.8
218.05783	0.5
227.03432	0.3
228.04175	7.8
229.04964	4.0
231.02892	0.6
245.04456	3.4
246.05180	0.6
256.03683	1.3
257.04471	2.7
273.03952	1.8
274.04730	9.1
285.03964	2.7
301.03448	28.5
302.04214	81.1
303.04538	1.2
317.06564	100.0
318.06805	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01874	0.5
55.05518	4.6
56.05045	3.6
57.03443	0.9
57.07085	2.2
58.02973	0.3
60.04532	100.0
61.94911	0.2
65.03937	0.3
67.05511	8.4
68.05034	0.7
69.07073	4.9
69.07419	0.4
69.91972	0.2
69.95246	0.6
69.95663	0.8
70.02984	0.4
70.06602	0.7
71.04977	0.2
71.08643	0.9
72.04529	2.2
73.02914	0.4
74.06084	2.2
79.05499	4.4
80.05029	1.0
80.86492	0.3
81.07064	7.9
82.06588	1.4
83.05011	0.7
83.08626	3.2
84.04525	0.3
84.08154	0.3
85.10153	0.5
86.06078	0.8
87.04464	0.5
90.05579	1.4
90.44562	0.3
91.05490	2.6
93.07056	3.8
94.06563	0.6
95.05018	0.5
95.08618	7.5
96.08134	0.7
97.06520	0.4
97.10178	1.7
98.06071	0.4
105.07056	1.0
107.08621	1.5
108.08170	0.4
109.10163	3.0
111.08099	0.4
111.11711	0.3
112.07625	0.4
116.07084	0.4
119.08614	1.1
120.36573	0.3
121.10146	1.7
123.11734	0.8
125.94524	0.3
133.10141	1.0
135.11708	0.9
137.13297	0.8
149.13263	0.4
151.14830	0.3
161.13332	0.3
207.21136	0.4
219.21028	0.4
245.22562	0.4
250.25366	1.2
251.23837	0.3
262.25278	1.6
263.23877	0.3
268.26480	0.8
280.23282	0.6
280.26370	12.4
280.80255	0.3
298.27426	13.2
316.28485	35.9
317.28812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.2
56.05046	2.5
57.03442	0.7
57.06798	0.9
57.07077	14.6
58.06618	0.7
60.04528	70.0
60.96240	0.5
62.06116	0.6
67.05510	5.9
68.05027	0.7
69.07074	3.4
70.06596	16.3
70.10356	2.1
71.08632	7.7
72.04517	1.4
74.06107	1.5
79.05480	3.7
81.07058	5.6
82.06588	1.4
83.08624	3.0
85.10188	4.4
86.06087	0.5
88.07632	24.2
90.05564	1.1
91.05492	2.8
93.07047	2.2
95.08622	5.2
97.06541	0.5
97.10159	0.9
105.07027	1.4
106.08673	27.8
107.08591	0.9
109.10143	2.1
119.08602	1.0
121.10120	1.4
123.11690	0.6
126.36177	0.5
133.10133	0.8
135.11693	1.1
147.57294	0.5
172.50026	0.6
196.55933	0.5
249.60416	0.5
250.25287	0.9
262.25275	0.8
280.26398	8.1
298.24213	0.6
298.27493	8.1
298.30984	1.5
316.28394	23.2
316.32010	100.0
317.06482	0.6
317.32346	1.4
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	Halisphingosine A
Peak:m/z	Relative Intensity
55.01886	0.6
55.05513	4.8
56.05040	4.5
57.03429	0.6
57.07074	1.7
58.02961	0.5
60.04530	100.0
65.03948	0.5
67.05508	7.7
67.05835	0.6
68.05043	0.9
69.07069	5.0
70.96075	0.4
70.96422	0.8
71.08634	0.8
72.04531	1.8
74.06088	2.6
76.47416	0.3
79.05503	3.5
80.05031	0.7
81.07065	7.7
82.06190	0.4
82.06564	1.7
83.05015	0.7
83.08625	3.2
84.08166	0.5
86.06087	0.9
90.05572	1.5
91.05494	2.7
93.07042	3.2
94.06588	0.5
95.04984	0.4
95.08608	6.8
95.09174	0.5
96.08154	1.1
97.06558	0.6
97.10214	1.7
98.06102	0.5
100.07648	0.6
100.76421	0.3
102.05539	0.4
105.07043	1.3
105.24155	0.3
107.08621	1.6
108.08131	0.6
109.10173	2.2
111.11758	0.4
112.07622	0.7
114.49524	0.3
119.08595	1.1
121.10158	2.0
122.09753	0.4
123.11743	1.1
130.08601	0.4
131.99767	0.4
133.10168	1.0
135.11716	1.1
137.13287	0.5
138.88884	0.4
147.11742	0.4
149.13234	0.4
192.40570	0.3
207.21094	0.4
250.25372	1.0
262.25381	2.0
263.23752	0.4
268.26376	0.9
280.26361	12.1
294.02820	0.3
298.27448	13.0
316.28479	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	316.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
79.34187	0.6
80.05033	0.7
91.05486	5.9
93.07050	11.2
95.04987	1.5
95.38318	0.6
96.08112	0.9
98.09663	0.6
103.05470	5.1
106.36118	0.6
107.04961	1.9
110.09684	0.9
111.82746	0.6
113.30344	0.6
121.06517	96.0
124.11284	0.6
135.11736	0.8
136.11240	2.6
143.17056	0.6
150.12766	1.9
150.77902	0.6
152.14357	36.7
153.01842	2.9
154.02165	3.5
196.16988	2.4
200.10721	1.7
218.11884	3.6
218.15433	1.0
242.15387	1.2
272.20108	100.0
273.20502	2.3
316.22739	96.0
317.23019	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	316.2273
Annotation	Bremazocine
Peak:m/z	Relative Intensity
53.03959	0.8
55.05494	1.7
60.04510	1.6
67.05496	2.4
68.05016	2.1
69.03418	0.7
69.07084	3.3
70.06598	10.6
71.04983	0.8
73.17104	0.7
81.07063	5.0
82.06551	0.7
83.08633	1.4
91.05491	3.6
93.07047	3.6
95.08618	6.2
100.07620	5.5
105.07042	18.6
107.08605	3.3
108.08115	1.3
109.10146	1.9
114.05543	1.9
117.07018	2.6
119.08591	12.1
120.08118	0.7
121.06499	0.8
121.10129	2.2
122.09672	2.2
123.10429	0.6
127.88351	0.7
128.07086	5.9
129.06822	0.6
131.08574	3.9
131.57314	0.7
133.10144	8.5
142.07736	0.5
142.08640	3.9
143.08527	1.1
144.09259	0.6
145.10112	8.1
147.11682	5.5
148.11220	1.2
151.06389	0.8
153.01808	1.7
154.02200	1.7
154.08669	3.7
159.08076	0.7
159.11720	3.9
160.12448	0.9
161.13268	0.7
168.10213	15.5
171.11636	1.1
172.05305	0.6
172.95357	0.8
173.13293	2.0
175.14844	10.2
178.08655	4.6
180.10255	0.8
186.14148	0.7
187.14813	1.1
192.10219	0.7
194.11755	3.3
201.16411	6.2
202.15977	2.0
203.17949	1.0
232.13391	1.5
234.14865	1.0
246.14848	1.0
247.15714	1.1
256.20508	0.7
260.16528	4.0
286.18060	7.3
301.20349	3.8
316.22745	100.0
316.28650	2.6
317.23248	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82084	0.5
53.03928	0.6
56.96567	0.8
60.04523	6.0
65.03942	1.3
69.03400	0.9
70.06582	1.2
70.88989	1.0
70.89342	0.6
72.08172	0.6
79.01835	0.6
79.05486	0.6
81.03431	1.2
82.06572	0.9
84.04499	1.8
84.08150	1.4
85.00464	0.5
85.02917	2.5
88.03978	1.2
91.05483	43.7
95.44007	0.5
97.02896	0.9
98.14793	0.5
98.97604	1.1
102.05545	5.9
103.03983	1.2
108.08116	0.6
109.02900	0.9
109.06516	2.5
114.95310	0.4
119.04948	24.8
120.06584	10.5
121.06464	0.6
124.03984	0.7
126.05553	1.1
127.03929	1.0
136.06192	0.9
136.07570	2.1
137.05981	100.0
138.06357	0.9
139.03935	1.7
140.07082	0.6
148.06053	1.2
153.01849	7.3
153.02985	1.0
154.02194	5.4
154.05016	4.4
154.08641	5.0
155.02757	4.0
162.07651	2.7
164.07056	3.4
172.06026	1.3
180.08669	21.8
196.09773	1.3
256.11798	7.5
298.12830	2.4
316.13913	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
55.01864	1.1
55.05508	2.7
60.04531	45.0
67.05510	6.2
68.10845	0.7
69.07061	3.3
70.02950	2.1
70.83735	1.5
71.04982	1.3
73.76923	0.6
79.05504	5.2
80.05019	1.4
81.03424	1.3
81.07063	19.6
83.04993	1.4
83.08620	1.9
84.08157	0.9
85.06529	1.0
86.09712	1.1
88.03997	23.4
91.05490	11.7
92.02596	0.7
93.03391	1.0
93.07048	13.8
95.04982	1.5
95.08598	3.5
96.04504	0.6
96.08142	0.7
97.06539	1.3
99.08103	1.0
102.03948	0.6
103.05480	5.4
105.04579	0.8
105.07034	9.0
106.05038	44.0
107.04951	1.0
107.08600	2.9
107.22977	0.6
109.02882	0.6
109.06538	0.9
109.10155	0.7
110.03224	0.9
110.09685	2.8
110.85613	0.6
113.37685	0.7
119.08591	8.5
121.06512	94.3
121.10135	6.2
122.09669	0.7
123.11702	6.6
124.11228	0.8
127.07610	1.3
130.06563	0.7
133.10146	1.6
134.06033	0.8
135.11610	0.7
136.07555	0.7
136.11224	2.6
147.11697	16.0
150.12784	1.6
152.14349	35.6
153.01834	12.8
153.02995	1.0
154.02165	9.3
154.03326	1.2
157.07607	1.5
158.06035	1.1
165.12758	8.3
171.03004	0.6
175.08730	0.8
175.11212	0.7
178.99803	1.6
183.13792	0.9
196.16975	2.2
200.10765	2.9
206.15414	1.7
217.04939	1.1
218.11815	3.5
218.15465	1.5
224.16454	1.8
228.04214	0.9
229.04915	2.0
229.14412	1.5
230.15421	0.9
234.14854	8.2
242.15392	1.8
252.15982	16.2
257.04532	1.1
270.16995	5.3
272.20099	99.9
273.03839	0.9
273.20444	1.0
274.04706	1.4
280.15500	6.3
285.03873	1.9
297.75723	0.7
298.16537	16.3
299.05688	0.9
302.04297	6.3
316.17593	3.4
316.22739	100.0
317.06558	24.9
317.09491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0711
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02361	0.4
53.03935	0.8
55.01869	0.5
57.03427	0.7
59.60256	0.2
61.02917	0.5
69.03083	0.5
69.03432	5.1
69.57686	1.5
71.05001	0.4
73.02917	0.4
79.01862	4.8
81.03423	8.3
85.02915	4.8
97.02898	3.0
99.04447	0.8
107.01329	2.5
109.02889	5.0
123.00824	0.2
125.02344	3.8
125.95242	0.3
127.03923	5.6
143.03412	5.4
153.01840	100.0
153.02888	5.6
154.02176	0.8
171.02904	5.1
255.05122	0.3
297.06039	4.5
315.07120	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0711
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02379	0.7
59.69941	0.3
61.02922	0.6
69.03432	11.0
71.43038	0.7
79.01859	4.6
81.03424	0.6
85.02923	0.9
86.50644	0.3
87.00819	0.3
90.13866	0.3
97.02907	2.3
107.01328	1.1
109.02869	1.6
125.02338	3.1
127.03919	5.0
143.03412	5.4
153.01839	100.0
153.02905	6.0
154.02190	0.8
159.04416	0.4
163.03963	0.7
171.02907	1.1
179.03381	1.0
191.03419	1.4
205.04852	0.6
207.03008	0.7
209.04376	0.4
233.04477	1.0
237.03911	1.6
238.89076	0.3
297.05981	0.9
307.86505	0.4
315.07117	0.7
335.12650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0712
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02377	0.6
51.52564	0.3
53.03953	0.5
57.03448	0.4
61.02921	0.4
63.66600	0.4
67.68038	0.3
69.03437	6.5
69.28204	1.7
69.28632	1.3
75.81093	0.4
79.01865	4.2
79.36093	0.3
81.03432	4.4
85.02918	2.6
97.02896	2.4
99.04474	0.6
107.01360	1.9
109.02901	3.5
114.74842	0.4
125.02367	3.7
127.03931	5.0
139.03993	0.4
143.03410	6.2
153.01851	100.0
153.02898	5.4
154.02188	0.7
157.54399	0.3
171.02905	3.2
173.91978	0.4
179.03395	0.4
191.03439	0.6
205.04982	0.4
207.02921	0.7
235.07428	0.4
237.04028	0.8
264.48700	0.4
271.27670	0.4
297.03271	0.3
297.06177	2.0
313.17188	0.3
315.07367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0502
Annotation	5-hydroxybowdichione
Peak:m/z	Relative Intensity
51.02379	0.5
52.41510	0.5
53.03942	0.9
55.01870	1.1
55.05497	1.4
57.03434	1.1
59.04988	0.5
60.32186	0.4
67.05502	0.9
68.99791	6.7
69.03427	5.4
69.07083	0.7
69.65793	1.8
69.66207	1.0
71.05005	0.6
79.01852	4.1
79.05490	1.3
81.03416	6.5
81.07049	1.3
81.64061	0.5
83.05026	0.6
85.02909	4.0
91.05486	2.0
93.07042	1.1
95.04951	0.7
95.08596	1.0
97.02904	2.9
98.21485	0.8
99.04449	0.7
103.05493	0.5
105.03394	0.5
105.07066	0.9
107.01315	1.9
107.05013	0.4
107.08573	1.2
109.02890	4.7
109.10164	0.9
111.00809	5.5
117.07003	0.7
119.04971	0.9
119.08572	1.0
121.06551	1.0
121.10151	0.5
123.04445	1.0
123.08098	0.5
125.02356	3.3
127.03921	4.6
129.06960	0.4
131.04933	0.9
131.08556	0.7
133.02846	0.6
133.10181	0.9
135.04408	0.7
135.08040	0.8
137.02383	0.5
137.05931	0.5
139.03868	0.5
143.03403	4.3
145.02719	0.5
145.06427	0.6
145.10117	0.7
147.04413	14.7
147.11650	0.6
149.02293	0.8
149.06007	1.3
149.09622	0.6
151.03946	0.7
153.01833	89.4
153.02876	4.4
154.02222	0.6
155.04941	0.8
157.02896	0.8
157.06523	0.7
159.04396	1.6
161.02312	0.5
161.05975	1.2
162.03232	0.6
163.03897	0.8
163.07584	0.5
171.02948	3.9
173.09573	0.5
175.03905	19.0
177.05525	2.6
183.04614	0.5
185.05995	1.2
187.11198	0.5
189.05489	1.8
191.03444	1.7
195.08018	0.9
203.03398	60.8
204.03745	1.0
207.02951	0.6
211.07625	0.5
212.08099	0.5
213.05476	2.0
217.04968	1.3
222.06769	0.5
231.06599	1.3
239.07210	0.5
241.04974	2.3
255.10005	0.8
259.05966	2.7
265.08658	0.9
269.04507	1.1
282.94748	0.4
283.09674	1.7
287.05518	2.5
297.05960	1.8
297.18558	0.7
315.04977	100.0
315.12546	2.4
315.19467	1.9
316.05356	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05272	0.9
55.05514	8.8
57.03440	20.2
57.07078	57.0
63.71148	1.0
67.05508	11.2
67.28505	0.8
69.07073	10.4
69.34399	0.8
69.59696	5.2
71.08637	38.2
79.05490	1.3
81.07063	20.5
81.61127	0.8
83.08624	12.3
85.10184	18.7
89.06024	3.1
93.07036	1.1
95.08614	20.0
97.10165	7.0
98.21471	0.9
99.11723	1.8
103.07566	3.4
106.96439	0.8
109.10156	11.1
111.11729	1.5
113.13306	1.1
123.11716	5.0
137.13338	1.7
197.16750	0.8
221.22731	1.0
239.23726	3.7
257.24753	7.0
272.62299	0.9
298.27502	1.0
313.27368	100.0
314.14102	0.8
314.27914	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2692
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
55.05501	4.0
56.05027	3.1
57.03426	1.3
57.07059	5.4
57.51015	1.3
60.04533	100.0
61.74469	1.2
66.70842	1.2
67.05504	12.3
69.07063	2.9
71.08629	2.5
71.50909	1.2
72.08162	1.6
74.06060	1.9
79.05499	11.4
81.07072	8.9
82.06582	3.7
83.08616	1.6
91.05487	7.3
93.07053	11.2
94.06576	3.3
94.07363	3.4
95.04933	1.6
95.08622	10.2
97.10174	1.6
102.07926	1.4
105.07052	2.7
107.08577	3.1
107.49409	1.5
109.06526	2.0
109.10172	1.9
117.06962	1.3
121.06519	7.4
121.10125	5.7
122.10505	3.5
131.08588	1.3
134.09708	1.2
144.53836	1.4
145.10075	1.3
149.09618	2.1
153.01845	3.6
164.23589	1.4
168.35582	1.3
176.04266	2.0
191.73204	1.4
222.22205	1.5
248.23734	1.6
260.23810	1.8
278.24850	10.1
296.25940	7.3
298.10736	2.8
299.11557	1.4
300.06299	1.7
314.13824	5.0
314.21536	1.4
314.26926	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.9998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93839	3.7
56.96571	4.3
69.54553	5.9
69.96185	31.8
71.94109	1.0
98.97604	12.9
101.00865	1.5
113.95157	3.0
116.98627	5.7
119.01946	2.6
127.69160	0.8
131.96159	23.2
131.97086	1.6
134.99672	1.6
139.00645	1.2
141.02242	1.5
149.97206	12.1
159.03291	2.9
163.02818	1.0
171.09828	1.6
171.94121	1.2
173.09563	2.6
177.00972	2.7
179.00757	1.6
185.01256	1.5
187.02950	1.3
189.95197	4.4
190.94963	3.4
201.00943	2.1
203.02475	3.1
207.96336	7.8
208.96074	2.5
213.95172	1.8
219.02014	7.7
220.02216	1.0
221.01843	2.8
229.03804	0.9
231.96272	10.0
232.96106	2.9
233.03590	1.5
243.01978	1.3
248.94345	2.3
249.97350	29.9
250.96996	2.3
255.96191	5.1
261.03070	4.3
263.02872	3.6
266.95303	1.8
272.94424	1.8
273.02991	1.7
273.06592	3.3
273.97327	59.9
274.97559	2.1
278.00931	1.1
290.36533	0.9
290.95404	3.5
291.04422	1.2
291.07797	3.2
291.98389	100.0
292.98636	1.4
314.95352	10.4
314.98959	1.4
315.04169	0.9
315.07526	17.4
332.96533	8.6
333.05051	1.0
333.08331	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.8
55.05766	1.3
57.03442	22.6
57.07078	64.3
58.05581	0.7
64.01910	0.6
67.05510	13.4
69.07072	11.1
69.81812	2.1
69.82224	1.9
71.04988	1.2
71.08634	43.3
79.05450	0.9
81.07059	17.0
83.08625	12.4
85.10183	20.3
89.06043	3.8
93.07025	1.1
95.01039	0.7
95.08610	23.9
97.06504	0.9
97.10169	6.1
97.90067	0.8
99.08073	0.8
99.11719	1.7
103.07565	3.6
109.10155	11.3
111.11729	1.5
117.09142	1.2
123.11678	5.3
137.13258	2.8
151.14847	1.0
201.18515	1.1
239.23723	3.7
257.24777	8.5
313.27371	100.0
314.27533	1.1
339.65848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.05510	9.0
57.03441	1.1
57.05780	1.1
57.07050	2.8
60.80965	0.8
65.03905	1.2
67.05511	6.4
69.03402	1.2
69.07069	4.8
69.84625	2.3
69.85038	1.9
70.06601	5.5
72.08162	100.0
79.05502	25.1
81.07062	16.1
83.04981	2.0
83.08613	1.1
91.05488	23.6
93.07053	40.4
95.04967	1.9
95.08614	9.1
97.06498	2.2
98.06006	1.1
105.07025	4.3
107.04923	1.9
107.08602	19.3
109.06457	2.6
109.10134	1.5
109.55968	0.8
111.53986	0.8
114.09127	3.4
116.07041	2.6
117.06976	2.5
118.08667	63.6
119.04957	7.7
119.08583	2.0
121.06464	2.8
121.08788	0.8
121.10168	4.7
123.08080	0.8
125.05985	0.9
131.08517	2.8
133.10132	6.2
135.07996	3.0
135.11703	22.5
137.05984	23.2
142.08598	1.7
149.13269	21.4
151.03824	3.1
151.11165	1.7
151.14699	1.6
153.12701	2.3
159.11624	2.5
176.12894	1.4
176.14365	27.2
177.12775	14.0
177.14377	1.3
178.12282	1.9
194.15309	1.5
220.08339	0.9
224.12781	1.7
240.15971	6.9
248.20123	15.5
251.48874	0.9
266.21005	2.4
275.45383	0.8
276.19290	0.8
294.20667	39.2
294.24002	1.2
312.19400	30.4
313.17834	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.01860	0.8
57.07072	0.5
62.43214	0.2
65.03954	3.2
65.35720	0.3
67.05519	1.6
70.06589	0.2
70.75827	0.6
77.03918	0.3
79.05504	1.6
81.03396	0.3
81.07082	0.6
89.66978	0.2
91.05488	21.5
93.07050	8.5
95.04980	1.6
103.05476	2.0
105.03377	0.3
105.04515	0.7
105.07039	2.8
106.04143	0.4
107.08603	0.4
109.06525	6.1
119.06075	4.9
121.06510	0.8
123.08104	1.4
133.06511	11.4
133.07581	0.9
139.07550	1.4
149.05991	100.0
150.06310	0.8
180.66228	0.3
190.96863	0.3
212.47810	0.3
285.74832	0.3
313.27515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
54.22720	0.2
56.96551	0.4
57.03440	0.3
61.02916	0.5
69.03432	1.4
70.01528	0.7
70.06592	0.3
73.02908	0.3
81.03409	0.5
84.08152	0.3
85.02913	1.7
86.09677	0.4
97.02889	0.8
98.97572	1.2
99.04456	0.2
108.05621	0.5
109.02895	0.3
109.05119	0.7
110.24813	0.2
116.69780	0.2
116.98624	0.2
119.27048	0.2
127.03973	0.3
132.08119	0.3
133.05098	7.1
138.05495	0.3
145.44255	0.2
150.07753	100.0
151.08136	0.3
153.01855	0.9
154.02226	0.2
164.07127	0.3
180.08864	0.3
211.50859	0.2
214.95111	0.2
216.98741	0.4
219.01939	0.2
232.96466	0.2
234.99849	0.3
312.13037	17.6
330.07059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1303
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
55.01877	0.3
57.03450	0.3
64.26067	0.2
69.03419	0.3
70.06598	0.5
70.74259	0.7
71.06133	0.4
73.02899	0.3
83.65182	0.2
84.08147	0.3
103.26833	0.2
110.03533	4.5
122.05901	0.2
128.04509	0.3
135.03032	1.5
136.07651	0.3
137.08214	1.8
152.05240	0.3
153.04086	1.3
155.09010	0.2
162.05646	0.3
162.07739	0.6
165.06442	0.4
165.22267	0.2
178.07263	0.2
180.08806	100.0
181.09091	1.0
181.45059	0.2
203.15431	0.2
273.88385	0.2
278.10229	0.3
284.88312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1959
Annotation	Spiradine A
Peak:m/z	Relative Intensity
55.55169	0.4
57.07079	0.4
65.03931	2.4
67.05507	0.4
69.03391	0.4
69.07082	0.4
70.06596	1.5
71.05202	0.4
73.33412	0.4
79.05502	0.8
81.07047	2.1
91.05485	54.5
92.05821	0.5
92.20881	0.3
93.07087	0.4
107.04987	0.6
108.97999	0.3
109.06531	2.6
116.07136	0.4
118.06557	6.6
119.04948	28.7
132.08110	2.2
133.08875	1.4
133.09821	0.3
134.09598	0.6
137.05984	70.6
138.06302	0.8
139.85030	0.4
146.09621	2.3
151.03897	0.6
153.01830	0.6
173.36180	0.3
176.14352	81.2
177.14708	0.6
280.10489	0.5
312.19577	100.0
313.20016	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03936	2.0
53.37073	0.9
55.01862	1.9
55.05515	64.0
57.03440	27.0
57.07078	31.4
59.04996	0.9
67.05237	0.8
67.05510	10.2
69.07072	65.3
71.08637	18.4
73.02899	1.4
79.05501	5.6
81.07059	11.5
83.04995	1.8
83.08623	57.7
85.10186	7.1
91.05456	1.9
93.07043	8.8
95.08602	9.6
97.06536	6.2
97.10178	41.2
98.20773	3.1
99.08091	1.6
101.05988	1.4
107.08579	6.3
109.10198	4.4
111.08067	3.1
111.11730	13.2
111.25714	1.0
121.10145	7.7
123.11740	2.3
125.09606	2.7
125.13268	3.2
135.11694	7.6
139.11195	1.2
149.13237	3.9
163.14890	1.8
209.11641	1.2
219.21120	1.5
237.11339	1.2
237.22116	1.6
252.13750	0.9
311.25821	100.0
312.26212	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	311.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01863	2.1
55.05514	59.1
57.03441	27.3
57.06800	1.4
57.07079	32.2
67.05504	10.4
69.07070	71.7
69.29321	7.4
71.08633	16.1
72.72867	0.7
73.02933	0.9
73.30914	0.8
73.34851	0.8
74.06914	0.8
79.05499	6.0
81.07057	13.1
83.04980	2.2
83.08621	60.6
85.06551	1.1
85.10184	7.5
91.05445	0.8
93.07056	7.6
95.08621	9.8
97.06526	6.5
97.10172	41.0
98.20943	2.8
107.08620	5.9
109.10168	4.9
111.08069	2.2
111.11729	13.9
121.10148	8.3
123.11691	3.0
125.09663	2.3
125.13243	2.4
129.05478	1.0
134.66245	0.7
135.04411	1.5
135.11668	7.5
137.13240	1.9
139.11182	1.9
149.13269	3.8
151.14842	1.1
153.12701	1.0
163.14839	1.3
167.14441	0.8
168.30414	0.8
186.49223	0.9
191.10602	0.9
200.85562	0.9
209.11731	3.1
219.21092	3.0
226.25314	0.8
237.11272	4.2
311.25827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1279
Annotation	Porphine
Peak:m/z	Relative Intensity
55.01865	0.8
55.05505	1.8
65.03928	1.0
66.04695	0.7
67.05506	1.2
69.03432	0.7
69.07056	1.8
69.88769	2.7
79.05486	4.1
81.03416	0.7
81.07061	4.8
85.06564	0.6
91.05489	8.2
93.07043	1.6
94.04192	4.2
95.04962	1.6
95.08599	1.8
97.06506	0.7
98.98468	5.0
103.05462	2.2
105.07031	8.2
107.04942	2.3
109.06524	4.5
109.10162	2.2
115.05447	2.8
116.06237	1.1
119.04916	1.6
119.08566	1.5
121.06498	2.0
121.10107	1.1
122.03658	12.1
123.04408	1.4
128.06207	2.4
129.07019	5.2
131.04958	2.0
131.08575	1.5
133.06491	4.8
135.04405	0.7
135.11720	0.6
137.05983	100.0
143.06050	0.7
144.05698	4.7
145.06412	1.4
145.10104	1.2
146.03615	1.0
147.07979	0.7
149.05983	6.6
149.09586	1.2
151.07570	1.1
153.07028	0.8
155.04945	7.0
155.06058	1.1
156.05672	2.0
159.08057	9.4
161.04633	1.2
161.05978	15.3
161.07275	1.3
163.07359	0.8
165.06944	3.4
166.07829	0.8
167.07072	0.8
172.05205	2.5
175.07518	4.1
176.14323	4.8
177.07056	0.8
179.08560	2.0
180.09358	1.2
181.06541	0.7
187.07549	27.4
188.08272	0.8
189.07011	6.1
189.08743	1.0
190.07790	25.0
190.09515	1.3
191.08557	49.9
193.06371	0.7
201.07005	1.5
202.07738	2.2
203.08578	2.1
205.06476	3.4
207.08122	6.3
208.08888	6.6
209.09488	0.7
213.79655	0.7
217.06494	1.5
218.07294	16.0
219.08064	63.6
220.08827	7.6
221.06026	2.8
221.09596	1.2
223.07570	0.7
223.11211	1.2
225.09048	1.5
229.07648	2.2
231.08076	1.1
233.09662	2.1
235.07544	9.0
236.08342	13.8
237.09102	2.8
246.06892	2.9
247.07562	25.7
248.08250	3.7
249.05540	1.5
249.09105	1.4
250.09941	0.7
251.10681	84.4
252.10983	1.1
253.08643	6.4
261.09052	3.7
263.06998	2.0
264.07825	9.2
265.08621	3.5
265.11334	0.7
268.10956	2.0
277.08566	0.7
278.09332	1.5
279.10175	67.7
280.10904	6.5
281.08090	9.1
283.09924	1.3
283.13263	2.7
283.18884	1.4
295.09537	1.0
296.10394	11.0
309.11307	0.8
311.12799	62.4
312.13174	1.4
312.19574	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	311.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.05499	0.4
55.94684	0.3
65.03948	0.5
67.04243	0.8
67.05502	1.1
68.99798	0.4
69.03430	0.3
69.42783	2.3
70.06583	0.4
72.08163	3.2
80.05016	0.6
82.06580	3.3
84.08137	1.2
89.10798	1.4
91.05472	3.0
95.04987	0.6
100.07613	0.4
105.03394	2.2
107.04960	0.5
108.08105	0.6
109.06530	0.5
110.06044	100.0
111.06378	0.7
112.07603	2.3
119.08690	0.3
120.08112	0.5
122.06010	0.8
124.07612	1.0
126.05508	0.3
135.04425	0.3
136.07585	0.9
137.05989	0.3
138.09099	0.4
140.04784	2.4
140.07066	26.8
142.08655	3.1
148.07538	0.4
152.06975	0.4
153.01840	0.5
154.08643	2.2
155.07057	1.2
156.06551	1.1
156.10190	0.7
162.05507	0.3
172.09689	2.8
180.10243	0.5
181.04933	0.8
208.09743	1.3
223.06039	1.6
230.11752	0.9
248.12984	0.4
251.14128	0.7
257.13065	0.3
258.11215	0.7
275.13910	3.8
276.12360	1.0
293.11758	0.3
293.14960	10.1
294.09814	0.3
294.13202	0.7
311.05856	0.5
311.16010	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	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
51.41466	1.0
53.03943	3.3
55.01878	2.8
55.05511	34.3
56.96573	1.6
57.03430	5.0
57.07076	11.3
59.04999	3.2
65.03941	2.4
67.05507	43.8
68.52234	1.0
69.03438	8.3
69.07070	62.1
70.06596	6.2
70.76390	2.3
71.04984	5.7
71.08643	5.9
73.06584	1.4
79.05497	28.7
81.03413	3.5
81.07058	100.0
82.08243	1.1
83.04982	6.6
83.08149	1.8
83.08623	25.1
85.02927	1.2
85.06542	6.5
85.10195	2.5
91.05486	19.9
93.07047	38.7
95.04970	12.7
95.08608	73.9
97.06519	9.0
97.10174	16.4
98.98445	1.7
99.08102	4.5
105.07041	18.5
107.04967	1.5
107.08603	28.7
108.49545	1.2
109.06513	5.7
109.10164	45.5
111.04447	1.2
111.08084	8.7
111.11740	11.1
117.07013	3.5
119.04939	7.1
119.08585	13.8
121.06494	2.3
121.10151	23.0
123.08084	5.4
123.11707	41.9
125.05975	1.2
125.09652	4.8
125.13275	3.6
127.11253	1.3
129.07001	1.4
131.08592	5.7
132.84795	1.2
133.10133	9.8
135.08076	1.7
135.11703	17.0
136.33517	1.3
137.09633	6.4
137.13263	10.2
138.33678	1.1
139.11163	2.8
143.08537	1.9
145.10155	3.3
147.04411	34.1
147.11655	7.0
149.13237	12.6
151.11116	2.0
151.14815	2.6
153.01840	2.0
153.12717	6.3
155.10651	1.9
157.10162	1.8
159.11699	1.5
161.09689	1.4
161.13281	3.9
163.14832	6.5
165.12737	3.1
165.16434	2.7
171.11708	2.3
175.14832	4.3
177.05418	1.5
177.16391	3.8
179.14386	1.4
179.18112	1.2
189.16429	3.4
191.17914	1.5
193.16020	1.4
193.19585	1.2
199.14867	2.4
199.48438	1.2
203.18059	1.7
217.15926	4.0
217.19505	2.2
235.16914	1.8
249.09186	1.6
273.18491	1.7
273.25772	6.3
277.08563	2.8
291.08618	1.6
291.19678	3.7
291.23361	2.3
291.26666	7.6
309.11087	4.8
309.20499	9.4
309.27853	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	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
51.54001	2.1
53.03939	2.5
55.05515	30.6
57.03429	7.7
57.07064	9.7
59.04993	4.3
65.03926	2.9
67.05508	43.5
69.03425	9.4
69.07071	48.4
69.85339	10.7
70.06587	8.4
71.04999	11.4
71.08637	4.7
79.05505	19.7
81.03413	5.3
81.07064	100.0
83.04996	4.5
83.08617	21.8
85.02894	2.7
85.06547	9.5
91.05492	20.6
92.89452	2.3
93.07056	34.5
95.04980	13.1
95.08614	72.7
97.06532	8.2
97.10165	15.4
98.98465	3.6
99.08105	3.7
102.96601	2.7
103.92953	2.3
105.07041	18.3
107.04987	2.7
107.08613	28.0
109.06500	5.1
109.10162	46.2
111.08066	7.5
111.11716	7.3
117.07098	3.3
119.04970	16.7
119.08592	15.8
121.06508	3.5
121.10150	20.2
123.04395	3.3
123.08049	3.5
123.11707	23.5
125.09601	4.6
128.80992	2.3
131.08618	4.6
133.10117	13.0
135.11710	11.7
137.09618	5.6
137.13235	10.9
145.10165	4.4
147.04425	46.6
147.11661	9.6
149.13275	16.2
151.11273	2.8
151.14819	3.8
153.12738	2.6
155.10710	3.2
157.10201	4.4
161.13245	6.3
163.14828	6.5
165.12836	2.8
171.11761	2.5
175.14799	3.3
177.16402	6.1
182.56508	2.6
183.68669	2.4
189.16454	4.3
191.17949	2.9
203.10501	2.3
203.18164	2.5
217.15782	2.8
217.19626	3.0
221.07259	3.0
234.06708	2.3
249.06572	7.1
249.09016	2.8
267.07599	12.8
273.18781	2.3
273.25757	5.1
277.08673	3.9
291.19797	2.8
291.26825	8.2
295.07193	3.2
309.08331	3.2
309.11484	5.3
309.20975	2.8
309.27957	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	309.2791
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03945	2.1
55.01892	3.5
55.05515	25.5
57.03434	4.2
57.07084	8.7
59.04998	3.9
59.09489	0.7
65.03943	1.2
67.05510	21.2
67.30036	0.7
69.03432	5.4
69.07072	100.0
70.06593	3.3
71.04999	3.2
71.06940	1.0
71.08642	3.3
71.51054	0.7
72.08157	1.5
73.06565	2.7
75.71701	0.7
77.58620	0.6
79.05501	10.5
81.03434	1.9
81.07063	58.7
83.04995	2.5
83.08624	19.0
84.08161	1.6
85.02918	2.4
85.06551	11.7
85.10231	0.7
91.05482	7.1
93.07052	27.5
95.04984	3.5
95.08615	55.6
97.06533	8.8
97.10182	9.3
98.98476	3.2
99.08107	5.3
101.06013	1.2
105.07043	7.0
107.08597	23.9
109.06540	3.0
109.10163	24.1
111.04521	0.9
111.08090	16.8
111.10950	1.2
111.11726	25.8
112.55693	0.6
113.09655	0.9
115.07573	0.6
117.07018	0.9
119.04962	4.8
119.08592	5.7
121.06557	1.4
121.10152	14.0
123.08092	1.4
123.11717	22.5
123.12594	1.3
125.09641	4.9
125.13316	2.3
127.11215	1.2
129.07059	0.8
129.12776	2.9
131.08575	1.4
133.10141	4.8
134.30745	0.7
135.08102	0.7
135.11708	9.9
137.09666	2.3
137.13258	6.0
139.03891	1.1
139.11189	11.2
143.10695	0.9
145.10091	1.4
147.04420	20.3
147.05527	1.2
147.08124	0.7
147.11717	4.9
149.13274	14.9
151.07640	0.6
151.11218	0.9
151.14853	1.4
153.01852	1.4
153.12755	13.7
155.01013	0.7
155.14351	0.8
157.10229	1.0
157.12268	1.8
161.13280	3.1
163.14862	3.9
165.05527	1.2
165.12778	1.8
165.16452	0.8
167.14357	4.0
171.11687	1.0
171.13857	1.4
173.13348	1.0
175.14859	1.2
177.16417	1.5
182.15451	0.7
189.11241	0.9
189.16383	4.2
191.17947	1.3
203.18065	1.0
215.72331	0.8
217.15854	0.8
235.16985	0.8
245.22783	0.9
247.23840	1.0
248.41643	0.7
249.09225	1.3
264.12656	0.8
273.25848	1.1
277.08676	1.6
282.18481	0.8
291.19717	1.6
291.23380	1.5
291.26804	7.4
309.11404	3.5
309.16846	0.7
309.20740	1.5
309.27817	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2426
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.51862	1.9
53.03944	4.6
54.65502	1.9
55.01871	8.0
55.05515	34.3
56.38713	1.9
57.03429	6.8
57.07082	10.0
65.03967	2.9
67.05513	54.8
69.03436	6.8
69.07071	35.2
69.45400	11.4
69.45805	4.2
71.04988	4.4
71.08638	20.7
79.05022	2.3
79.05495	48.1
81.03413	7.0
81.07063	65.5
83.05007	15.6
83.08620	19.6
85.06546	6.5
85.10181	2.2
91.05491	32.6
93.07052	54.4
95.04990	26.3
95.08058	3.9
95.08611	44.9
97.02825	2.2
97.06545	15.0
97.10166	9.6
99.08077	17.9
103.17831	2.4
105.04530	2.6
105.07043	27.0
107.04973	5.5
107.08608	24.6
109.06525	8.6
109.10154	16.1
111.08073	7.5
117.07033	7.1
119.08591	21.6
121.06479	3.6
121.10144	20.8
123.04433	3.4
123.08079	6.9
123.11723	7.2
123.84457	2.1
125.09651	5.5
129.07010	6.5
131.08585	11.4
133.10149	23.6
135.08084	4.4
135.11714	13.9
137.09627	5.8
137.13274	2.8
139.11179	5.9
143.08618	4.9
145.10146	11.3
147.11700	17.6
149.09773	2.0
149.13292	13.6
151.11174	14.6
153.12762	6.1
157.10149	7.8
159.11720	6.2
161.13260	14.4
163.11203	7.4
163.14871	2.6
165.12764	9.2
171.11760	5.4
173.13258	4.1
175.11218	4.3
175.14851	6.8
179.14334	5.9
185.13257	4.0
187.14795	2.0
189.12759	3.8
193.12291	5.2
194.03021	2.2
207.13802	4.6
221.15399	6.8
231.21065	5.2
235.13252	3.4
235.17094	3.3
241.19531	4.8
249.22105	4.3
259.20651	10.0
276.36234	2.1
277.21643	100.0
291.19699	2.9
291.23248	5.2
295.22424	2.5
298.91357	2.4
309.24380	32.9
309.29810	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	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.9
55.01879	18.7
55.05515	41.6
57.03434	6.0
57.07071	9.5
63.84756	3.1
65.90543	3.0
67.05510	68.0
69.07072	37.0
69.26556	5.8
69.26962	26.3
71.05006	7.9
71.08639	49.5
72.55494	3.3
79.05499	66.3
81.03417	14.2
81.07063	95.6
83.05005	17.6
83.05418	3.8
83.08631	34.0
84.03244	2.9
85.06535	7.9
91.05482	44.4
93.07053	73.8
94.14103	3.7
95.04961	28.7
95.08613	55.0
97.06534	18.0
97.10181	10.6
98.98466	3.7
99.08088	42.0
105.07043	35.7
107.04974	11.1
107.08602	39.5
109.06509	9.6
109.10166	20.8
111.08086	16.4
117.07019	10.8
119.08591	33.9
121.06501	6.8
121.10165	34.9
123.04431	15.0
123.08065	6.1
123.11745	9.1
125.09628	4.5
127.11102	2.9
129.06989	8.2
131.08609	7.3
133.10118	21.8
135.11702	20.1
137.09584	4.4
137.13281	4.8
139.07527	7.0
139.11171	11.7
141.12675	3.7
143.08578	7.8
145.10121	17.2
147.11682	28.9
149.13274	12.2
151.11206	28.1
153.09108	3.7
157.10184	10.2
159.11726	5.4
161.13271	23.4
163.11244	15.6
163.14827	8.3
165.12753	15.4
171.11722	6.9
175.14841	8.0
179.14342	11.7
189.12740	7.0
193.15904	3.7
199.14851	3.6
207.13815	4.8
221.15436	5.6
231.21162	8.6
235.13327	8.7
235.16943	3.6
241.19456	11.3
249.22136	4.8
259.20563	20.4
277.21640	100.0
277.24728	4.8
291.23206	4.5
309.16956	9.3
309.24356	26.8
309.29828	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.84768	3.7
53.03945	5.5
55.01865	13.3
55.05515	47.7
57.03438	6.4
57.07084	6.6
58.74185	3.3
59.04991	7.9
60.50443	3.3
63.62496	3.6
67.05503	55.6
67.48773	4.0
69.03417	11.5
69.07076	32.0
69.23663	37.2
70.04082	8.7
71.04991	5.3
79.05503	42.7
79.49229	3.5
81.03386	10.8
81.07059	88.1
83.04974	15.2
83.08620	23.1
85.02874	3.7
85.06512	5.8
91.05476	36.6
93.07040	38.6
95.04983	15.8
95.08618	44.2
96.84360	3.5
97.06528	7.9
97.10175	34.3
105.07041	32.9
107.04970	11.2
107.08583	30.9
109.06547	9.1
109.10159	34.5
111.04435	6.3
111.08070	5.5
117.07022	10.7
119.08604	21.0
121.06517	7.9
121.10164	14.3
123.08073	27.9
123.11698	8.8
125.09681	27.9
131.08559	11.0
133.06470	5.4
133.10153	29.6
133.17984	4.0
135.08023	4.1
135.11700	10.9
137.09637	6.1
143.08620	5.2
145.10150	9.7
145.53348	4.2
147.08080	7.0
147.11671	4.3
149.09628	6.2
151.11179	19.9
157.10085	7.8
161.09590	9.7
161.13110	4.2
161.25943	4.2
163.11108	5.9
171.11583	4.4
175.11134	6.8
175.54138	4.3
177.12817	4.7
189.11212	19.5
193.12140	4.4
211.13304	6.1
245.18994	6.9
273.18576	25.8
291.19528	100.0
309.20575	21.8
309.24231	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03945	8.3
55.05527	26.4
56.02797	5.1
57.03444	17.4
57.07080	8.0
58.31636	4.9
60.86297	5.3
67.05507	64.5
69.07074	21.8
69.14988	53.0
69.15394	10.5
71.08633	56.7
79.05499	55.7
81.03434	10.7
81.07064	78.6
83.04998	13.0
83.08646	11.4
85.06538	8.6
90.19156	5.3
91.05478	30.8
93.07049	70.1
95.04952	13.3
95.08609	61.2
97.06536	11.6
97.10155	9.4
99.08081	45.4
105.07064	19.5
107.04974	7.2
107.08589	37.1
109.06512	6.1
109.10187	19.7
117.07092	7.1
119.08589	24.9
120.92747	5.8
121.10158	35.2
131.08577	13.0
133.10150	20.0
135.11702	39.8
145.10162	13.0
147.11705	13.1
149.13297	19.6
151.11140	26.1
159.11674	7.3
161.13280	16.7
163.11230	10.2
177.12802	9.1
179.14337	100.0
187.14873	7.8
235.16954	6.2
241.19582	6.2
259.20676	11.9
268.35968	5.4
274.52371	5.2
277.21698	66.3
291.23264	6.6
309.24280	11.0
326.11081	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.61378	1.7
55.01862	5.0
55.05503	6.1
57.03443	33.4
57.07056	2.0
65.03934	1.8
67.05507	30.9
69.03439	2.7
69.07050	5.9
69.82778	3.1
69.83188	7.3
71.04984	3.8
79.05489	17.1
81.03384	3.1
81.07065	16.2
83.04974	3.5
83.08609	2.5
85.06078	3.0
85.06545	37.2
89.65237	1.5
91.05489	14.1
93.07045	12.0
95.04967	40.9
95.08613	8.7
97.06530	4.0
99.54529	1.7
105.07032	9.5
105.78927	1.8
107.04971	3.4
107.08595	11.5
109.06521	38.7
109.10133	2.4
113.06010	100.0
117.07022	8.5
119.08561	7.3
121.06484	3.5
121.10142	2.2
122.03500	1.6
129.06958	3.6
131.08557	6.7
133.10130	4.5
135.08063	33.3
135.11641	3.5
143.08545	4.6
145.10107	6.7
147.08023	2.3
149.09615	3.9
157.10115	3.8
159.11661	4.1
161.09698	4.4
163.11165	2.2
165.09106	1.9
199.14813	2.7
201.12759	3.6
217.15877	12.7
255.17387	2.5
273.18536	17.9
291.19571	46.7
309.20813	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
50.51009	3.8
53.03941	13.9
55.01876	6.9
55.05519	18.9
57.03427	13.0
57.07069	3.4
60.32457	3.9
60.69730	3.7
67.05508	66.4
69.03436	33.7
69.07066	15.6
70.06590	7.0
71.05004	4.5
71.08644	6.5
75.82997	3.6
77.41039	3.5
77.71877	3.8
79.05071	7.1
79.05499	86.1
81.03426	6.7
81.07061	62.6
83.04970	4.3
83.08625	7.9
83.46397	3.5
85.06537	10.4
91.05488	100.0
93.06478	6.6
93.07050	89.8
95.04971	14.8
95.08617	33.0
97.06519	5.5
99.08099	9.9
102.48087	4.3
105.04535	4.0
105.07043	47.7
107.08601	57.7
109.06518	6.5
109.10159	12.8
112.29333	4.0
115.05489	4.0
117.07042	24.4
119.08588	70.6
121.06556	7.2
121.10152	53.1
123.08056	9.2
123.11668	4.4
129.07018	16.4
131.08553	39.9
133.10144	67.1
135.08041	7.3
135.11693	10.7
137.09677	6.1
139.03937	5.4
143.08611	13.2
145.10136	17.5
147.04518	4.0
147.11685	11.3
151.11182	7.9
157.10161	15.3
161.13283	4.5
165.12772	5.5
171.11694	6.8
173.13219	9.2
175.14888	9.6
189.12802	6.3
189.16437	26.8
199.14838	46.3
217.15881	81.0
235.16972	15.2
247.10672	4.1
248.67659	4.2
273.18433	3.8
277.21652	8.9
291.19540	10.7
309.16971	9.1
309.20645	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.27016	2.1
53.03938	9.0
55.01880	19.1
55.05508	25.6
57.03436	5.8
57.07070	3.0
65.03931	2.4
66.74606	2.0
67.05507	72.5
69.03429	7.8
69.07072	27.7
69.81929	2.3
69.86170	10.4
71.04990	9.9
74.76015	2.2
79.05495	51.4
81.03414	5.6
81.07057	97.6
83.01328	3.7
83.04988	16.0
83.08614	14.3
85.06532	8.6
89.11077	2.2
91.05486	64.0
93.07046	49.7
95.04987	11.9
95.08617	30.2
97.06531	8.2
97.10183	3.4
98.21410	4.0
99.04440	5.5
99.08115	2.5
104.98512	2.1
105.04533	3.0
105.06400	4.2
105.07038	56.9
107.04953	8.6
107.08601	57.5
109.06521	10.6
109.10160	84.9
110.72173	2.6
111.04467	5.8
111.08083	7.5
113.05971	5.0
117.07031	8.5
119.08581	18.3
121.06510	10.0
121.10131	12.1
123.04457	2.2
123.08101	4.8
123.11702	14.2
125.05981	2.3
125.09646	6.0
127.07549	7.1
127.09846	2.2
128.06163	3.4
129.06995	4.7
131.08580	14.4
133.06471	7.6
133.10136	100.0
135.08041	7.4
135.11700	8.7
137.06038	2.8
137.09598	4.6
139.07562	7.7
143.08542	9.8
145.10158	8.8
147.08055	9.7
147.11690	6.5
149.09616	7.3
151.11186	62.4
157.10162	3.0
161.09647	11.0
161.13370	2.7
163.11177	2.4
169.12303	13.9
171.11697	6.2
173.13226	2.8
175.11201	7.3
179.10710	3.3
181.08598	4.0
189.12790	4.3
199.11247	2.5
215.12802	3.8
217.12372	3.3
219.13567	2.9
223.13416	2.9
227.17996	3.6
245.19051	14.7
255.17424	3.8
262.34564	2.5
263.20035	12.2
273.18460	34.1
291.19537	58.4
309.20657	24.6
309.24234	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	309.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18532	5.3
53.03956	7.8
55.01859	10.2
55.05515	34.7
57.03431	27.2
59.05008	5.8
67.05511	65.2
69.03432	11.9
69.07080	33.1
70.06588	20.6
71.05003	7.9
71.51077	11.6
78.67519	5.6
79.05498	100.0
79.41512	5.1
81.07063	90.8
83.04970	11.4
83.08617	16.3
84.08134	7.2
85.06557	11.4
91.05483	99.6
93.07055	90.3
95.04974	25.8
95.08608	62.8
97.06521	10.2
97.10164	10.1
98.98461	8.8
99.08083	9.0
105.07042	63.8
107.04967	7.6
107.08614	50.3
109.06504	18.4
109.10177	33.6
117.07029	20.4
119.08598	81.9
121.06522	15.3
121.10158	44.1
123.04412	9.2
123.08118	7.2
123.11730	8.7
125.09669	6.9
129.07008	19.3
131.08594	36.6
133.06491	6.9
133.10159	58.8
135.08095	9.0
135.11693	11.4
137.09647	9.9
143.08597	13.6
145.10092	14.7
147.04442	12.6
147.08078	6.5
147.11623	11.4
157.10133	16.5
163.11240	8.8
171.11678	9.1
177.05518	6.6
182.15401	16.5
189.16379	29.6
199.14835	37.2
210.14903	21.1
217.15895	57.4
235.16817	8.5
249.06830	7.1
273.18448	15.8
291.19595	28.4
296.49121	6.3
309.11240	7.6
309.17511	7.1
309.20471	35.8
333.74985	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
52.13700	1.2
53.03928	1.9
55.01868	3.0
55.05270	2.0
55.05516	29.1
57.03434	3.0
65.03928	1.7
67.05512	17.8
69.03428	4.3
69.07071	13.6
69.85054	6.3
71.04974	1.4
75.99050	1.1
79.05070	1.5
79.05495	17.4
81.03391	1.2
81.07065	19.3
83.04971	5.1
83.08623	18.8
85.02876	1.4
91.05486	14.1
93.07043	13.6
95.01347	1.4
95.04989	7.9
95.08622	8.9
97.06562	1.8
97.10177	24.2
98.20838	1.8
105.07040	9.5
107.04948	4.0
107.08599	12.2
109.06525	2.0
109.10178	3.7
111.04395	2.4
111.08064	3.4
117.07021	4.6
119.08582	8.5
121.06499	3.9
121.10131	4.6
123.04404	2.2
123.08076	10.7
123.11684	1.8
125.09645	19.5
129.06978	1.9
131.08560	7.8
132.45435	1.2
133.06511	3.9
133.10127	5.3
135.08012	3.0
135.11734	3.1
137.06041	1.2
137.09610	2.6
143.08575	2.6
145.10141	5.5
147.08115	6.0
147.11673	5.5
149.09587	2.4
157.10152	2.5
159.11688	2.0
161.09669	2.2
163.11185	2.6
165.09140	4.6
171.10287	2.2
171.11732	3.6
175.11182	2.0
189.11217	9.0
189.12802	6.1
193.12254	1.8
199.11203	2.7
211.69658	1.3
217.12242	12.5
223.13277	2.8
235.17299	1.4
245.19012	2.9
249.14865	5.5
255.17427	1.8
273.18521	13.6
277.14307	3.5
291.19565	100.0
309.20514	6.0
315.56146	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03938	7.7
55.01882	15.9
55.05513	65.8
57.03426	8.5
65.03939	3.1
65.30798	2.0
67.05510	52.7
69.03432	15.8
69.07069	31.0
70.06582	6.8
70.09275	8.9
71.04980	7.4
79.05496	51.1
81.03426	19.6
81.07060	100.0
83.04991	19.2
83.08623	31.7
85.02901	5.3
85.06539	3.0
91.05477	31.3
93.07050	44.1
95.04964	20.2
95.08610	33.6
97.02860	2.3
97.06535	11.3
97.10185	42.6
99.04463	3.8
99.08090	6.0
105.06370	3.6
105.07024	23.8
106.93985	2.1
107.04978	5.7
107.08585	31.1
109.06534	9.1
109.10168	18.1
111.00552	2.5
111.04428	15.1
111.08090	8.2
117.07008	10.3
117.99729	2.0
119.04936	3.2
119.08578	27.7
121.06507	7.5
121.10153	17.3
123.08090	36.2
123.11674	3.2
125.08785	2.7
125.09651	37.4
128.09828	2.3
129.07018	4.6
131.08571	13.3
133.06514	4.1
133.10153	14.4
135.08040	8.8
135.11679	11.1
137.09651	10.7
139.11255	3.4
143.08557	5.3
143.10683	2.5
145.10110	12.1
147.04385	6.4
147.08022	7.0
147.11700	10.6
149.09645	7.0
149.13264	3.2
151.11229	3.2
153.09131	3.4
153.12779	5.6
157.10103	6.6
159.11707	4.8
161.09605	4.3
161.13229	3.0
163.11198	31.2
165.09128	10.9
165.12706	3.4
171.10150	3.4
171.11600	3.9
175.11154	4.8
177.12793	2.0
181.12254	11.7
189.11241	23.1
191.10701	8.3
191.14369	2.1
193.12277	13.6
199.14821	5.8
207.13844	2.1
209.11676	2.1
211.13333	4.6
217.15918	5.8
227.12764	3.9
227.18011	2.2
235.16975	4.6
245.19046	5.0
249.14795	2.4
255.17540	3.7
263.20029	2.9
273.18433	22.3
291.19537	64.8
309.20682	18.0
324.63342	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
53.18193	0.9
55.01864	1.2
55.05513	1.0
56.50196	0.9
59.96453	0.8
60.06852	0.8
67.05512	8.5
68.05022	1.0
69.03429	1.1
69.07054	3.0
70.06583	2.4
71.50405	1.5
72.08191	1.1
79.05511	1.4
81.03429	4.6
81.03844	0.9
81.07031	1.3
82.06584	6.4
83.04976	1.4
84.04478	0.8
84.08160	2.0
85.02909	1.5
91.05470	3.4
93.03416	3.1
93.07035	2.1
94.06552	1.1
95.04995	5.2
96.04485	13.5
101.72408	1.0
106.07452	0.9
107.04951	1.3
107.07330	0.8
108.08135	2.3
109.06507	1.5
110.06046	41.6
111.04435	2.0
111.08006	0.9
112.07618	1.5
119.04897	1.5
120.08133	1.1
121.02839	1.7
121.06500	3.4
122.06024	1.1
124.07587	5.0
126.05574	1.4
128.07135	0.9
130.06516	1.4
134.06007	0.9
136.07585	72.9
137.05977	3.6
138.05511	25.4
139.03908	1.6
140.07112	1.4
141.05452	1.0
145.02861	2.3
145.06493	0.8
147.04405	3.4
147.08115	1.3
147.09183	9.3
150.05484	1.6
152.07074	6.8
153.01884	1.7
154.08638	100.0
155.06952	1.0
155.09039	1.1
156.06552	19.5
159.08102	1.0
160.07631	1.2
161.05972	1.0
163.03958	0.9
164.07031	0.9
177.05431	2.0
182.04941	1.1
186.09146	1.7
188.09441	1.7
190.08714	2.3
190.12387	1.1
200.10776	2.1
202.08603	1.5
204.04193	1.3
204.10112	1.1
208.02864	5.7
217.13379	1.6
218.08040	1.2
218.11711	2.3
219.06563	1.8
221.08055	1.1
227.11627	1.1
228.10271	2.1
231.11255	1.4
245.12910	3.8
246.11279	5.6
247.09671	1.3
249.12256	1.4
250.04773	2.1
255.11305	2.0
260.11548	1.1
265.07162	7.1
273.12381	4.2
274.10815	8.3
291.13409	6.6
292.11795	14.5
309.14471	57.3
309.17715	2.1
310.14612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65491	1.0
53.03922	1.3
55.01860	1.2
55.05499	4.8
58.99564	1.2
65.19164	1.2
67.05502	12.5
68.05819	1.3
69.03424	2.4
69.07066	16.9
69.88533	3.6
69.88941	2.1
70.06602	7.2
70.07422	1.2
71.04965	1.5
74.02460	1.2
76.02217	4.7
79.05080	2.3
79.05498	30.6
81.03357	1.3
81.06604	1.3
81.07061	17.5
82.07394	2.7
83.04956	1.8
83.08620	1.6
84.04496	2.8
84.32591	1.1
86.09707	100.0
91.05475	11.2
93.06487	2.1
93.07049	41.8
93.09203	1.1
94.07362	2.4
95.04976	2.8
95.08607	12.3
96.08916	2.1
97.06528	1.7
99.04507	1.5
105.04486	1.4
105.07043	5.7
107.08594	26.0
108.08963	1.4
109.06522	1.8
109.10136	3.4
110.10463	1.8
116.07086	2.5
117.07002	4.0
119.04961	1.9
119.08566	4.6
121.06516	8.4
121.10132	6.0
131.08545	3.0
132.10204	56.6
133.10139	8.0
135.08041	3.9
135.11688	26.5
136.12039	1.1
137.09550	1.2
137.13249	1.4
139.03917	4.9
140.04214	3.8
147.04405	6.7
147.11693	1.4
149.13261	23.7
151.11215	2.3
151.14784	3.3
159.11687	3.9
162.02234	1.9
176.40758	1.0
177.12740	11.7
179.04912	1.8
193.82603	1.2
248.09041	1.8
262.21634	21.1
277.08862	1.2
286.60587	1.1
290.21268	1.7
308.18942	2.6
308.22189	30.7
308.26428	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	308.113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.3
61.84703	1.9
67.01869	8.3
68.02175	2.8
70.76463	4.1
72.08195	2.7
73.13461	1.7
85.02908	14.9
85.19192	1.9
86.03220	5.2
91.05503	3.2
93.07056	6.2
95.01331	7.5
96.01649	2.8
97.02911	13.1
98.03249	7.4
103.05499	4.4
105.83099	2.1
113.02385	8.4
114.02711	4.4
116.76398	1.9
121.06516	100.0
122.06853	9.0
123.00787	2.3
125.02353	5.3
126.02729	4.9
130.06570	10.2
131.06885	15.7
132.04436	3.9
133.04832	2.3
139.03920	3.1
140.04266	2.3
141.01823	12.5
142.02170	10.3
144.09003	2.0
146.05995	2.1
147.04463	2.3
153.01817	18.5
157.07590	5.7
158.06017	8.7
158.07950	12.7
159.06390	16.4
170.19455	2.4
173.05867	2.2
174.06352	3.7
175.08681	2.5
176.09021	6.5
188.02762	3.1
188.07910	2.1
216.07390	9.5
262.09018	7.8
273.07626	3.3
290.10260	8.2
308.08380	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	307.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	18.1
54.15693	3.3
55.01881	38.2
55.05267	3.7
55.05516	42.0
57.03440	4.7
57.07064	11.3
65.03940	4.4
67.05178	6.4
67.05505	72.3
69.07073	49.7
71.04990	6.7
71.08631	4.3
71.51215	6.0
72.23151	3.2
74.76987	3.2
77.25488	3.2
79.05078	4.8
79.05499	69.8
81.03426	30.8
81.06586	6.3
81.07062	100.0
83.04967	11.6
83.08633	23.9
85.06536	6.8
91.05489	45.7
93.07056	62.0
95.01330	4.0
95.04969	30.8
95.08613	55.5
97.06007	4.6
97.06544	58.4
97.10164	13.3
98.81613	3.5
98.98444	4.1
99.08066	4.2
105.07039	65.3
105.82265	3.4
107.04960	36.5
107.06905	5.2
107.08589	37.8
109.06512	13.7
109.10184	26.9
111.08041	6.4
115.07745	3.1
117.07025	16.3
119.08585	34.4
121.02885	4.3
121.06496	10.4
121.10143	19.1
123.04489	4.1
123.08049	13.4
123.11694	8.4
125.09626	10.1
131.08585	20.0
133.10141	34.4
135.08041	9.5
135.11676	18.4
137.05962	14.9
137.09695	4.4
138.06252	6.6
139.03905	15.3
139.07523	5.2
143.08585	5.1
144.75450	3.5
145.06479	6.4
145.10129	17.8
147.11679	20.4
149.09602	17.9
149.13293	6.3
151.11179	8.2
157.10115	4.8
159.11688	22.5
161.13258	8.4
163.11200	16.7
164.99976	3.7
165.12813	5.7
169.10159	7.0
171.11655	5.3
173.13263	8.2
177.12689	20.2
179.14313	11.7
183.11766	5.5
187.11143	8.3
203.12764	7.6
203.14639	3.6
211.74858	3.3
229.19534	6.1
247.20595	5.1
257.19058	7.6
275.20074	82.0
307.19553	5.1
307.22797	97.1
307.26175	6.5
308.29587	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	307.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32670	2.5
53.03947	19.2
55.01882	15.1
55.05515	81.0
55.12507	2.8
65.03922	6.4
67.05508	67.8
67.30141	2.8
69.07070	27.7
69.24296	3.6
69.32857	4.3
69.33263	20.0
71.05001	5.2
72.59512	2.8
79.05070	4.2
79.05498	60.8
81.03421	43.0
81.07062	56.6
83.04984	15.6
83.08624	100.0
85.06522	6.3
91.05488	40.1
93.06494	4.8
93.07047	56.6
95.04968	27.6
95.08607	31.8
97.06504	15.1
98.21523	5.2
99.08095	5.3
105.07036	34.1
107.04967	51.0
107.08590	30.3
108.20723	2.7
109.06518	8.2
109.10170	5.5
111.08083	21.1
113.09646	3.2
115.77374	3.5
117.07021	15.6
119.08595	31.6
121.06485	10.2
121.10154	42.7
123.08066	6.7
123.11670	2.9
125.09682	2.9
129.06973	7.9
131.04936	4.7
131.08578	19.9
133.06377	3.2
133.10124	12.4
135.08078	4.5
135.11710	25.6
137.05925	4.1
137.09608	5.1
138.06340	3.2
139.03880	10.1
139.11188	6.5
145.06487	7.8
145.10132	40.2
147.08125	2.9
147.11714	15.8
147.13808	2.5
149.09616	21.3
149.13274	4.4
155.08521	11.9
157.09993	3.3
159.11703	10.3
163.11197	46.8
165.12744	11.7
171.11691	4.5
173.09662	20.7
173.13240	5.4
177.12753	3.7
183.11673	3.7
187.11168	3.3
191.10670	7.6
195.13715	2.8
201.88081	2.8
247.20642	3.3
257.18958	3.5
275.20078	33.1
307.22733	81.6
307.28049	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.3
55.01870	6.4
55.05516	13.7
65.19894	1.4
67.05508	30.0
69.03426	1.9
69.07071	13.0
69.25079	16.1
79.05068	2.8
79.05498	36.2
79.18082	1.7
81.03412	5.3
81.07060	100.0
83.04986	4.7
83.08627	9.8
85.06560	2.9
91.05488	22.2
93.07046	18.2
95.04978	12.9
95.08605	19.1
97.06551	8.8
97.10149	1.7
99.08099	2.0
105.07032	19.6
107.04955	7.8
107.08588	13.0
108.54127	1.6
109.06525	42.1
109.10169	6.9
111.08076	3.9
117.07027	6.4
119.08585	14.9
121.06534	3.4
121.10145	11.1
123.08119	8.2
123.11700	3.1
129.07025	2.8
131.07755	1.7
131.08537	10.4
133.10121	17.8
135.08051	3.3
135.11702	4.4
137.09641	3.1
138.06294	1.7
139.03923	4.5
143.08525	1.9
145.10172	8.0
147.08084	2.1
147.11702	14.1
149.09622	6.4
149.13208	7.7
151.11142	4.4
155.08485	2.0
157.10173	2.3
159.11717	6.8
161.09595	1.7
161.13272	1.8
163.11215	6.5
163.14857	3.3
165.12857	2.9
171.11722	2.0
173.09616	1.9
173.13292	3.4
175.11227	3.5
183.11723	2.3
187.11099	1.7
193.12311	3.4
197.13251	1.6
221.67053	1.6
229.19533	3.7
239.18028	2.1
247.20522	4.7
257.19064	7.3
275.20062	57.3
307.22757	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	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21867	1.7
50.26287	1.6
53.03952	8.9
53.78014	1.8
55.01880	19.8
55.05519	46.3
57.03429	4.8
57.07076	3.7
59.05005	2.9
67.05511	52.7
69.03431	4.1
69.07073	28.1
69.22738	9.2
69.23158	7.5
71.05005	3.8
79.05500	62.3
81.03425	12.5
81.07064	81.0
83.04996	10.1
83.08632	30.5
85.06538	4.9
91.05489	43.5
93.07057	46.7
95.04979	19.7
95.08615	36.4
97.06538	20.4
97.10172	21.6
99.08121	2.0
103.05486	2.4
105.07039	41.2
107.04962	22.3
107.08601	57.6
109.06528	24.9
109.10168	15.9
111.04456	2.8
111.08130	8.8
117.07008	14.3
119.08606	27.6
121.02885	4.1
121.06494	8.6
121.10151	21.7
123.04417	2.4
123.08099	12.1
123.11726	7.7
125.09650	22.2
129.07028	5.9
131.08559	17.8
133.06430	2.5
133.10143	21.7
135.08076	13.3
135.11713	18.0
137.09608	6.0
139.03911	53.7
139.11192	3.0
143.08498	3.7
145.06517	3.3
145.10129	24.0
147.08055	2.1
147.11708	17.2
149.09645	26.0
149.13300	5.5
151.03937	2.9
151.11174	8.4
153.09103	4.8
155.08591	4.2
157.10208	2.7
159.08095	2.1
159.11697	16.0
161.09540	3.4
161.13278	6.6
163.03922	3.4
163.07544	5.0
163.11192	16.9
163.14862	4.1
165.09134	2.6
165.12781	5.1
169.10187	3.8
170.73573	1.9
171.11681	4.0
173.09700	3.0
173.11848	2.3
173.13307	7.6
175.11218	4.3
177.12793	7.3
179.14322	2.1
181.05040	2.9
181.12273	2.8
183.11650	3.7
187.14828	4.3
191.10742	3.9
191.14325	3.1
197.13313	3.3
203.12758	8.9
213.05484	1.9
215.14351	2.0
219.13785	2.5
229.19479	5.8
233.18988	2.6
236.99701	1.6
239.18016	8.5
247.20628	10.5
257.18985	16.1
258.99725	1.7
275.20090	100.0
289.18430	2.9
289.21613	7.4
307.19522	3.1
307.22751	34.6
307.26361	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	307.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.01877	22.5
55.05273	3.3
55.05516	40.6
57.03436	2.2
57.07069	4.0
65.03944	2.9
67.05508	58.0
69.03428	3.7
69.06730	2.1
69.07076	25.5
70.07420	1.9
70.81868	1.6
70.82222	5.0
71.04988	4.8
79.05500	54.8
80.05791	1.8
81.03400	6.8
81.07063	73.4
82.07375	2.1
83.04980	7.5
83.08625	13.8
85.05334	2.3
85.06530	5.2
91.05486	41.3
93.07051	38.1
94.49872	1.6
95.04957	13.6
95.08613	35.4
96.08949	2.2
97.06537	20.9
97.10172	17.5
98.06075	8.1
105.06329	2.3
105.07040	48.2
107.04980	14.1
107.08601	75.1
109.06519	13.7
109.10161	22.5
111.08064	3.8
117.07023	13.6
119.06168	1.8
119.08591	27.6
121.06495	5.2
121.10159	16.1
123.08083	6.5
123.11697	7.6
125.09632	23.4
129.06996	3.4
131.08551	18.6
133.10141	37.7
135.08076	11.3
135.11685	8.6
137.06001	3.6
137.09636	5.1
138.06331	3.6
139.03896	10.8
141.06972	2.1
143.08583	3.2
145.10138	20.1
147.08127	2.2
147.11684	15.5
149.09641	27.0
149.13232	3.9
151.11203	26.0
153.09100	4.5
157.10172	2.8
159.11717	13.2
161.09642	3.2
161.13249	8.0
163.11220	10.2
165.09129	4.2
165.12746	3.1
169.10193	3.2
171.11697	4.1
172.15329	1.8
173.11935	1.8
173.13319	8.6
173.14731	1.7
175.11201	2.3
177.12802	4.6
183.11711	3.5
183.13863	2.9
187.11183	3.4
203.12784	15.8
227.26425	1.7
229.19498	6.1
239.18004	5.5
247.20566	6.6
257.19022	14.5
275.20081	100.0
289.21704	8.2
307.22818	27.0
307.28253	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03938	4.2
55.01672	1.7
55.01876	17.3
55.05268	2.3
55.05517	31.3
57.03431	2.0
57.41809	1.6
59.05011	1.8
62.39938	1.5
65.03937	2.1
67.05180	2.7
67.05509	40.4
69.03421	3.1
69.06774	1.7
69.07076	17.1
70.04720	6.4
70.05129	3.1
71.04990	3.0
79.05501	45.6
81.03421	4.8
81.07066	42.1
83.04967	5.3
83.08622	12.7
85.06542	2.8
91.04982	2.4
91.05490	32.0
93.07053	33.3
95.04979	14.3
95.08611	28.2
97.06545	20.5
97.10179	14.3
98.06028	1.9
105.07041	40.4
107.04980	12.1
107.08600	53.7
109.06532	14.5
109.10146	12.5
111.08093	4.8
117.06994	8.9
119.06076	2.2
119.08592	21.2
119.92774	1.6
121.06485	5.4
121.10155	12.5
123.08063	8.6
123.11703	4.6
125.09632	16.9
129.07018	3.1
131.08569	13.2
133.06458	1.8
133.10150	22.5
135.08023	9.0
135.11697	7.1
137.09602	7.5
139.03883	2.1
145.10118	17.9
147.11699	13.9
149.09622	23.8
149.13298	3.2
151.11192	7.6
153.09088	2.9
157.10106	2.8
159.11682	14.3
161.09633	2.6
161.13249	4.1
163.11232	8.2
165.09166	2.0
165.12726	3.6
167.10611	1.8
169.10197	3.3
171.11662	4.4
173.13264	7.1
177.12737	3.2
183.11594	2.5
187.11148	3.3
187.14908	2.1
197.13171	2.2
203.12805	14.7
229.19540	6.3
239.17908	7.1
247.20631	12.4
257.18991	12.0
275.20078	100.0
276.20264	2.0
289.21671	9.4
307.22720	24.7
307.28125	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	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03939	8.3
55.01879	36.7
55.05510	21.8
55.38853	3.7
57.03420	5.3
62.95612	3.6
67.05512	43.0
68.41594	3.3
69.03413	4.4
69.07074	25.6
71.04942	3.3
79.05489	39.3
81.03388	5.0
81.07061	54.6
83.04999	6.6
83.08619	10.9
85.06580	4.6
91.05474	35.5
93.07046	40.9
95.04953	25.3
95.08617	32.2
97.06528	38.8
97.10181	5.4
98.21495	13.2
105.07030	37.2
107.05003	7.8
107.08595	28.6
109.06503	10.9
109.10160	17.4
110.94947	3.3
111.08121	5.1
117.07048	8.4
119.08584	35.0
121.06497	4.4
121.10152	21.4
123.08054	9.9
123.11714	4.5
125.09648	8.5
131.08574	17.6
133.10129	28.7
135.08099	6.0
135.11746	8.2
137.09695	7.8
137.13231	4.2
141.36732	4.5
145.10129	19.3
147.11710	17.9
149.09610	17.0
149.13289	6.2
151.11180	8.5
157.10159	5.7
159.11700	17.4
161.13223	8.4
163.11221	11.9
163.14874	4.5
173.13232	8.1
175.11220	3.6
177.12677	4.8
183.11789	4.5
191.14389	4.0
197.13092	3.6
219.13948	3.4
229.19522	5.4
239.17877	8.5
247.20573	12.7
254.05432	3.2
257.19034	15.9
263.19958	6.6
275.20050	100.0
289.21585	9.2
307.22760	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	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03935	5.2
55.01874	25.1
55.05514	27.2
57.03436	2.1
57.07066	2.1
65.03950	2.3
67.05506	39.2
69.07072	22.8
69.90656	6.4
71.04996	4.2
71.08672	1.5
71.31590	1.6
72.80669	1.9
79.05497	49.3
79.05972	2.8
81.03410	6.3
81.07058	39.6
83.04971	6.6
83.08614	11.1
85.06532	3.5
91.05486	35.2
91.43307	1.8
93.07047	41.2
95.04987	11.1
95.08621	26.1
95.09198	3.4
97.06535	28.1
97.10172	16.2
99.08086	2.5
103.05471	1.8
105.07042	37.0
107.04988	11.5
107.08597	62.5
109.06538	10.7
109.10148	9.5
109.57272	1.5
111.08054	3.2
117.07025	7.4
119.08584	22.8
121.06516	7.8
121.10151	17.5
123.08076	7.8
123.11668	4.0
125.09637	20.3
125.22829	1.7
131.08554	12.5
133.06453	2.8
133.10146	25.8
135.04251	1.7
135.08081	9.5
135.11708	9.3
137.06018	8.3
137.09599	7.4
138.06299	7.9
139.03899	29.3
139.11165	2.7
143.08574	3.9
143.70155	1.7
145.10135	18.2
147.11671	14.8
149.09625	21.2
149.13243	3.5
151.11165	8.2
153.09099	5.3
157.10089	2.4
157.63814	1.8
159.11694	11.7
161.09660	2.6
161.13252	6.5
163.03905	4.2
163.11162	9.8
165.09140	4.8
165.12727	2.8
167.10641	2.4
169.10094	2.5
169.89635	2.1
171.11662	3.8
173.13275	6.2
177.12720	4.9
181.19119	1.8
183.11670	2.7
187.11189	3.8
191.14412	1.9
197.13301	3.3
203.12831	10.5
229.19554	5.6
233.18962	2.4
239.17873	6.4
247.20602	12.4
257.18951	14.7
262.50043	2.0
275.20084	100.0
276.20099	2.1
289.21619	7.1
307.22699	24.9
321.29803	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01878	9.7
55.05516	36.6
57.03437	1.5
57.07075	1.2
59.05009	1.2
65.03936	1.7
67.05186	1.6
67.05509	25.4
69.03432	3.0
69.07073	10.1
69.97176	2.8
69.97576	4.2
71.04976	2.4
79.00687	1.2
79.05499	57.7
81.03410	3.6
81.07067	26.4
83.04975	5.5
83.08624	11.8
85.06506	1.7
91.05489	28.3
93.07050	24.3
95.04971	6.5
95.08620	13.0
97.06527	8.7
97.10174	26.5
98.20857	1.9
105.07036	34.8
107.04972	12.6
107.08604	100.0
109.06499	4.9
109.10160	7.3
111.08092	3.1
116.64680	1.3
117.07056	7.1
119.06089	2.0
119.08594	16.2
121.06457	1.5
121.10140	8.8
122.06924	1.5
123.08060	3.0
123.11709	1.4
124.74586	1.7
125.09638	34.8
131.08577	10.8
133.10149	16.5
135.08052	9.6
135.11697	4.4
137.05972	2.1
138.06313	1.5
139.03903	7.0
143.08553	2.5
145.10147	13.7
147.11694	9.1
149.09624	24.7
149.13264	2.1
151.11121	2.4
153.09109	7.3
157.10123	3.9
157.12224	2.7
159.11655	7.6
161.13249	3.8
163.11174	5.1
165.01753	1.3
165.09178	1.3
169.10110	2.2
171.10213	1.9
171.11671	3.4
173.13271	4.5
177.12790	2.6
179.14322	1.7
181.12299	2.1
183.11641	2.0
185.25577	1.4
187.11317	2.0
189.20966	1.4
197.13246	2.3
203.12782	23.1
229.19510	3.7
239.17892	5.3
247.20590	2.6
257.18964	12.5
275.20081	57.7
289.21600	8.5
307.22705	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.02449	1.9
53.03949	10.1
55.01874	18.7
55.05274	3.2
55.05516	41.5
57.03441	5.0
57.07096	4.4
64.01903	2.1
65.03935	4.0
67.05510	63.4
69.03420	4.5
69.06728	2.8
69.07069	32.8
70.57210	7.3
71.04979	3.6
79.05496	60.6
81.03412	8.0
81.07062	84.0
83.04962	8.3
83.08626	25.2
85.06538	6.5
91.05486	39.4
93.07054	50.9
95.04984	17.4
95.08611	50.4
97.06535	27.1
97.10166	21.3
99.08086	2.9
105.06395	3.8
105.07040	42.0
107.04961	19.7
107.08604	64.8
109.06522	14.5
109.10169	23.0
111.08086	8.5
117.07025	16.1
119.08597	28.8
121.02889	4.4
121.06501	9.6
121.10149	26.3
123.04418	2.7
123.08089	10.7
123.11706	9.7
125.09644	20.4
127.03876	3.4
129.06990	3.2
131.08574	19.7
133.10135	24.3
135.08044	15.0
135.11687	12.5
137.09642	7.7
137.13274	4.1
139.03914	50.4
139.11194	4.6
145.06575	2.2
145.10143	20.4
147.08028	5.0
147.11664	15.8
149.09634	25.4
149.13216	7.2
151.03905	4.5
151.07437	2.3
151.11162	8.4
153.12813	2.6
155.08601	3.6
157.10188	2.6
158.06094	2.1
159.11682	14.5
161.13310	4.0
163.03879	3.6
163.11188	13.5
165.09125	3.2
165.12752	4.0
171.11641	6.1
173.09714	2.7
173.13258	9.8
177.12811	4.2
179.10382	2.5
183.11604	2.6
187.11230	3.5
187.14792	3.5
189.12837	3.0
191.14299	2.7
193.12292	3.5
197.13283	3.0
201.12717	3.1
203.12846	12.6
229.19524	7.4
239.18002	9.7
247.20599	8.4
257.19022	22.0
275.20078	100.0
289.21597	7.4
296.87317	2.1
305.58655	2.1
307.22769	31.6
307.26114	4.0
310.19946	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.8
61.71613	1.0
67.01863	4.9
68.99794	1.0
69.03426	1.7
71.14426	1.9
77.93839	0.9
79.75848	0.8
84.04532	0.8
85.02911	11.3
87.00835	2.1
91.05510	1.5
94.06587	2.8
95.01334	5.1
97.02898	11.0
103.05521	1.6
104.01851	0.9
110.60423	0.8
113.02369	9.0
114.09180	1.4
115.05471	1.2
121.06515	6.0
122.06884	2.7
122.44243	0.8
123.00856	2.0
125.02348	6.8
128.97075	0.8
130.06535	92.7
132.04462	23.4
139.03897	12.0
141.01810	10.9
141.07022	1.3
146.06013	5.7
157.07620	77.4
158.06020	100.0
169.01312	1.6
169.06325	1.1
173.05872	1.7
173.07196	4.5
175.08679	47.7
177.05424	1.2
185.05861	1.0
187.02409	3.2
187.07579	1.5
197.07260	2.1
199.08795	2.5
201.06697	6.2
203.08246	4.5
215.06984	4.5
221.09270	3.1
240.64404	0.9
243.07756	10.9
245.09283	1.9
247.07199	2.6
261.08731	39.3
271.07077	1.5
272.06537	1.2
289.08206	10.0
290.07413	1.3
307.09042	3.4
307.12689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30547	0.4
55.01874	0.6
56.05040	2.3
58.06601	3.1
65.03948	1.0
67.01884	0.4
67.05511	0.8
68.99801	0.6
69.03423	0.5
69.07083	0.4
70.06591	0.6
70.55274	1.0
70.55612	0.4
83.38805	0.3
84.04507	21.6
84.08144	100.0
85.02909	1.6
86.06072	6.0
86.09703	5.3
88.03992	1.3
91.05505	0.7
95.01316	0.5
95.04968	0.9
96.04504	1.0
97.02887	1.7
103.05504	0.5
105.03406	0.5
107.04945	0.6
111.04492	0.8
113.02375	1.0
121.02846	0.8
121.06527	1.0
123.04409	0.5
125.02380	1.0
126.02712	0.5
130.06522	3.8
130.08636	1.5
131.01610	0.5
131.04929	0.9
132.04449	1.1
133.02866	0.5
135.04410	1.2
137.05980	3.6
138.06358	3.2
139.03905	58.4
141.01849	1.1
141.06970	0.5
141.13870	6.2
145.02940	0.6
151.03951	1.9
153.01840	6.2
153.05469	0.6
154.02164	4.7
157.07613	3.7
158.06061	3.7
159.04420	1.9
163.03900	5.1
169.04974	1.8
169.13365	7.2
175.08673	2.6
177.05515	1.5
181.04951	3.1
195.06583	1.3
198.11212	2.0
205.04993	0.6
215.07069	0.7
215.13916	33.7
223.06004	0.6
243.17052	51.6
244.17133	0.7
251.83124	0.4
261.08643	1.4
261.16403	0.6
262.11087	3.8
289.08591	0.5
289.11749	0.7
290.07480	0.8
307.08090	0.5
307.13232	0.5
307.16876	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.227
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
50.41655	1.2
53.03930	2.1
55.01884	2.6
55.05514	18.0
56.23359	1.2
57.03439	1.6
57.07075	3.0
59.04993	4.5
59.54903	1.2
61.36513	1.3
62.10527	1.3
63.09477	1.4
65.03941	2.7
67.05180	2.1
67.05508	27.5
69.03418	3.4
69.07072	17.4
69.42578	9.7
71.05006	12.6
72.85378	1.2
73.06566	2.0
77.17757	1.2
79.05502	25.3
81.03410	2.5
81.07060	36.1
83.04986	3.1
83.08627	9.6
85.06535	3.0
86.09697	1.7
87.04489	2.0
91.05482	36.0
93.06483	2.4
93.07045	31.3
95.04966	7.0
95.08610	29.6
97.06544	10.7
97.10163	7.2
99.08092	3.0
100.17497	1.3
103.05451	2.5
105.07034	42.8
107.04938	3.7
107.08601	23.6
109.06518	14.2
109.10157	20.3
110.07324	1.5
111.04426	3.3
111.08093	4.3
116.39744	1.3
117.07034	10.0
119.08587	33.2
121.02855	9.9
121.06507	6.4
121.10151	14.1
123.04439	1.3
123.08069	13.3
123.11726	9.0
125.09618	3.6
127.03919	2.7
129.06989	3.3
131.08589	14.0
133.06548	2.1
133.10141	23.4
135.04413	2.3
135.08057	8.4
135.11720	7.3
137.09633	11.2
137.13268	2.2
139.03912	57.1
139.11209	3.2
140.04234	1.4
141.07124	1.5
143.08536	2.0
145.06480	1.5
145.10118	13.2
147.11696	20.9
149.09607	6.7
149.13269	3.4
151.03902	2.2
151.11176	15.2
154.76131	1.4
155.08499	2.1
157.10176	3.0
158.05894	1.3
159.04402	1.5
159.11696	8.1
161.09616	1.5
161.13283	4.9
163.03943	3.9
163.11171	9.4
163.14844	1.9
164.48550	1.3
165.12726	8.7
169.10141	2.1
171.11737	2.1
173.13281	5.4
175.14760	1.2
177.12746	4.5
179.14384	4.4
181.04922	3.0
183.11705	2.2
187.11195	1.8
187.14787	2.2
191.14355	2.1
197.13255	5.0
213.05502	3.6
213.16336	1.4
215.14388	2.8
215.18076	1.6
229.19447	7.0
233.15349	2.8
239.18019	8.6
247.20517	5.2
249.18506	2.2
257.19055	10.7
261.25644	1.5
271.24136	1.4
275.20078	51.5
289.18066	2.1
289.21671	3.6
289.25122	2.7
307.09665	4.5
307.19360	4.2
307.22690	100.0
307.25815	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0814
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
53.00305	0.8
55.01875	0.5
65.03928	0.6
67.05514	0.9
68.99780	1.0
70.16370	1.3
70.55203	0.3
76.77822	0.3
79.05444	0.3
83.05000	0.3
83.66027	0.3
83.72645	0.3
93.03407	0.5
95.04966	1.1
97.02904	0.4
107.04933	1.4
111.04445	1.4
113.22663	0.3
117.03364	0.3
121.02857	1.2
123.04436	1.1
127.03910	1.0
131.04941	0.9
133.02841	1.8
135.04404	3.0
139.03914	100.0
139.89636	0.3
140.04219	0.4
145.02876	0.7
149.06010	0.9
151.03923	3.9
153.01810	0.4
153.05486	1.4
159.04391	1.9
163.03923	9.9
169.04915	2.0
177.05479	2.4
181.04964	5.2
195.06538	2.9
201.05415	0.3
205.04951	0.8
214.49426	0.3
223.06050	0.9
247.06003	0.8
249.10025	0.3
263.64038	0.3
289.07184	0.5
301.03915	0.4
307.08072	0.8
313.74188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0814
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
53.00312	0.6
55.01858	0.4
65.03936	1.3
67.05501	0.8
68.99791	1.4
71.41703	0.6
79.05505	0.5
83.04974	0.6
88.52089	0.3
93.03427	0.7
95.04967	1.2
97.02871	0.6
103.42663	0.3
107.04981	1.8
111.00797	0.4
111.04420	1.6
117.03378	0.7
118.42496	0.3
121.02877	1.1
121.06547	0.3
123.04427	1.2
127.03924	0.6
130.06560	2.3
131.04918	1.2
132.04475	0.5
133.02844	1.5
135.04419	2.9
138.06415	0.4
139.03911	100.0
140.04230	0.5
145.02798	0.4
147.04443	0.4
149.06044	0.5
151.03909	5.0
153.01810	0.6
153.05467	1.1
157.07611	1.8
158.06015	1.7
159.04413	3.0
163.03911	10.1
169.04951	1.5
175.08693	1.1
177.05475	3.0
181.04956	5.0
195.06555	3.1
205.05028	0.9
223.06088	1.2
243.07614	0.3
247.05989	0.8
261.08917	0.3
265.07040	0.4
289.07355	0.6
307.08203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58692	0.2
52.73153	0.2
53.03952	1.0
54.28521	0.2
55.01880	2.7
55.05514	11.2
57.03431	0.4
57.07082	1.2
57.07305	0.2
59.92412	0.2
60.72735	0.2
65.03925	0.6
67.05508	16.0
69.03422	0.4
69.05827	0.2
69.07072	11.0
70.06593	0.2
71.04992	0.4
71.08619	0.2
71.64897	0.2
72.04502	0.2
79.05499	7.8
80.05003	0.5
81.03400	0.6
81.07061	13.2
82.06552	0.3
83.05006	1.1
83.08626	4.0
84.08141	0.2
85.05287	2.5
85.06543	0.5
86.06059	1.0
91.05483	5.2
93.07048	6.3
95.04980	2.2
95.08614	8.8
96.08128	0.5
97.06544	2.9
97.10176	3.0
98.06061	16.7
105.07036	5.4
107.04968	1.1
107.08599	9.2
108.08128	0.3
109.06530	1.6
109.10175	3.2
110.09668	0.7
110.89625	0.2
111.08063	0.7
112.07607	2.7
117.07008	1.2
119.08582	3.5
121.06508	1.1
121.10150	2.3
122.03599	0.5
123.08073	0.9
123.11713	1.1
124.07653	0.4
124.11224	0.4
125.08324	0.4
125.09641	2.2
126.09155	0.6
127.03909	0.4
129.06976	0.3
131.08556	1.8
133.10129	2.9
135.08076	1.1
135.11699	1.3
137.05986	9.1
137.09610	0.6
137.13237	0.3
138.09131	0.5
139.03889	1.0
139.09868	0.3
140.04221	0.3
140.10716	0.8
143.08553	0.3
145.10132	2.4
147.11682	1.6
149.09613	2.8
149.13274	0.5
151.03914	0.7
151.11208	1.0
152.04189	0.3
152.10767	0.3
153.01822	0.3
153.09074	0.4
153.12744	0.3
154.12260	1.0
157.10170	0.4
159.11708	1.5
161.09589	0.4
161.13235	0.9
163.11191	0.9
163.14798	0.3
165.09187	0.5
165.12741	0.4
168.13840	0.6
170.15443	0.3
171.11627	0.3
173.13211	1.0
175.11128	0.3
175.14795	0.2
177.12785	0.8
180.13794	0.3
182.15451	0.6
183.11723	0.4
187.11206	0.4
189.16811	0.3
194.15329	0.2
196.16985	1.0
197.13174	0.3
203.12811	1.5
208.16962	0.9
213.16411	0.3
215.17860	0.2
219.13858	0.3
222.18497	0.6
229.19487	0.5
230.32195	0.2
236.20071	0.6
239.18002	0.8
247.20569	1.3
250.21840	0.3
257.19006	1.9
259.20206	0.3
275.20074	11.2
276.06012	0.3
288.05731	0.3
289.06885	0.2
289.21741	1.1
289.24615	0.3
306.27921	100.0
307.22736	2.8
307.28256	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96420	1.4
56.96529	1.5
70.33669	3.9
96.30666	1.6
97.02904	2.4
98.97604	1.8
101.00884	5.8
119.01933	2.9
122.84929	1.6
132.15091	1.7
158.99901	3.6
177.00964	10.9
198.96983	1.4
201.00925	4.7
208.47221	1.7
211.58728	1.6
217.04018	3.2
219.02023	13.8
225.01073	2.7
239.67014	1.5
243.01990	14.8
258.97446	1.7
261.03085	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0812
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
53.00301	0.6
55.01871	0.8
60.46788	0.4
65.03944	1.5
68.99780	1.0
70.06590	0.6
72.08131	0.5
79.05473	0.5
81.03420	0.5
82.06568	2.1
83.04992	0.5
84.08146	0.5
89.03923	0.7
93.03388	1.0
95.04980	1.3
98.20736	0.9
98.97566	0.7
101.00873	2.5
107.04939	1.7
111.04445	1.0
115.02465	1.0
117.03373	0.6
119.01945	2.4
119.04943	0.5
121.02889	1.1
123.04417	1.3
127.03959	0.6
131.01924	0.9
131.04933	1.4
133.02805	1.0
135.04401	3.0
137.05974	0.8
138.06319	0.8
139.03909	100.0
141.01875	0.6
143.01866	0.7
143.77544	0.4
149.05942	0.9
151.03917	3.3
153.01866	1.9
153.05415	1.2
154.02173	1.4
157.03427	0.9
159.04420	2.2
161.02965	0.6
163.03917	10.5
167.68819	0.5
169.04976	1.9
173.05898	0.4
175.77190	0.4
177.05447	2.8
181.04961	6.0
187.00900	0.9
195.06529	2.3
196.99287	0.6
205.05017	1.0
215.00356	1.3
217.05724	0.5
223.06104	1.0
229.01996	0.6
235.06578	0.6
247.03018	2.7
247.06316	1.0
265.07755	0.8
270.35846	0.4
277.07779	0.5
289.07074	0.6
307.08228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.3
55.01870	0.4
65.71573	0.3
68.99776	0.4
69.03426	0.5
70.06573	0.7
70.89513	0.3
71.09141	0.3
71.19098	0.3
74.06066	1.3
74.06606	0.3
79.01854	3.7
81.07046	0.3
85.02900	1.6
87.00864	0.4
91.05486	10.2
93.07038	0.4
95.01340	0.5
97.02901	1.2
98.21510	1.1
107.01295	1.0
107.04947	0.5
109.02876	0.5
109.06531	0.8
110.98921	0.4
113.02374	0.6
116.07119	0.6
119.04954	6.9
120.06600	0.5
121.06519	3.1
123.04449	0.5
125.02364	2.8
126.03743	0.4
127.03925	1.4
128.04254	0.7
130.06514	0.8
137.05988	80.9
138.06224	0.4
139.03914	9.8
140.04262	0.7
143.03413	5.6
150.09679	0.4
151.03967	1.2
152.04285	1.3
153.01842	100.0
153.02888	5.8
154.02159	0.5
154.08612	0.4
157.07613	1.2
158.06056	1.4
163.03949	1.1
173.05943	0.4
175.08800	0.4
176.04311	0.5
181.04918	0.6
207.16985	0.4
215.07051	0.7
271.06219	0.5
272.00946	0.4
288.05948	0.8
289.07135	4.4
306.09790	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	306.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	100.0
58.07420	1.0
59.99111	11.5
60.65416	0.6
67.05517	2.6
68.05856	1.1
79.05508	1.3
81.07050	0.7
85.07681	1.5
86.06071	18.9
93.07092	0.9
95.04961	5.1
96.05305	1.9
102.03782	2.8
102.99650	0.9
105.07036	0.8
106.06557	64.6
107.06945	0.7
116.05322	42.8
137.05966	2.9
142.12245	0.9
145.04306	10.5
163.58305	0.6
167.72803	0.6
174.70061	0.7
201.10577	55.5
208.05368	5.4
216.63145	0.6
245.16261	0.6
250.07741	0.7
250.10104	3.4
254.24258	0.6
274.18872	1.2
306.16345	4.5
312.15350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47160	0.3
57.02470	0.4
66.04713	0.5
67.05502	0.5
69.07056	1.0
70.79491	0.8
74.53448	0.4
79.05490	0.7
81.07057	0.9
91.05470	0.5
93.07041	1.0
94.04193	2.5
95.04884	0.3
95.08559	0.5
97.06561	0.4
107.08642	0.6
110.74357	0.3
117.97804	0.4
122.03656	6.8
133.10187	0.6
135.11700	1.3
137.05986	100.0
153.12712	0.9
170.15373	1.7
171.90694	0.3
182.15396	2.8
202.58632	0.3
304.45013	0.4
306.20566	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
71.35899	9.9
82.58395	4.4
88.47287	4.6
89.46813	4.8
104.93742	4.5
149.97214	5.3
168.48395	4.8
173.02832	5.3
204.60190	4.9
244.67285	4.7
306.05875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01859	0.8
57.03438	2.6
65.03941	0.6
67.01868	11.2
68.99789	0.9
69.03433	0.7
70.89954	1.2
70.90323	1.1
71.01340	0.9
71.07311	0.6
74.06038	0.6
79.01846	1.1
81.03401	0.6
85.02905	35.6
91.05487	5.8
93.07046	6.5
95.01334	12.0
95.04978	0.9
97.02897	11.9
98.47134	0.6
103.05485	4.3
107.04978	0.7
109.02904	0.8
110.72542	0.6
113.02364	13.5
115.05453	1.2
119.04945	1.0
121.06509	100.0
122.06888	1.3
123.00797	3.1
123.04443	2.3
124.04765	2.3
125.02365	6.8
127.03934	2.3
128.04211	1.5
128.06233	1.7
129.06998	0.8
130.06546	2.3
131.08557	1.5
132.04480	1.1
137.05977	4.4
138.09163	2.4
139.03925	1.7
140.04242	1.3
141.01831	9.1
141.06966	3.7
145.06458	0.9
147.04442	2.5
149.02347	0.7
149.06100	0.5
150.02637	0.9
151.00307	0.9
151.03873	1.4
152.04276	1.7
152.06364	0.6
153.01839	7.5
153.06944	0.8
154.02147	2.9
157.06509	1.0
157.07648	1.3
158.06009	2.8
159.08072	2.5
165.05481	3.2
166.26210	0.6
169.01338	5.6
169.06436	2.8
171.08020	0.7
172.83789	0.7
173.05956	3.9
175.08759	1.1
181.06508	1.1
185.05971	0.8
187.07571	7.4
197.05995	2.9
199.07584	1.1
201.05397	0.7
209.06013	0.9
213.05637	0.7
214.05785	0.7
215.07053	12.8
217.05058	0.8
225.05450	1.9
227.07057	1.2
232.06879	2.1
242.05260	0.9
243.06526	4.5
245.08101	2.7
252.30505	0.6
253.04942	1.1
260.06412	1.8
261.08612	0.6
271.06021	8.2
288.05862	2.3
288.08762	1.5
289.07089	23.5
290.07352	0.9
306.06818	0.6
306.09814	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	306.0589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71002	11.4
59.75772	11.2
70.91563	27.2
78.19527	11.7
81.97366	11.4
99.09834	11.1
110.11183	11.3
112.89594	31.1
114.89314	20.5
193.08261	13.1
208.53589	10.3
231.93890	41.0
306.05817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.9
53.03950	2.8
55.01877	9.1
55.05518	14.6
56.31328	0.8
57.03449	4.3
57.07080	1.0
65.03943	7.6
67.05511	62.2
69.03443	3.3
69.07078	8.1
70.95674	2.3
71.05013	1.2
79.05502	28.0
81.03418	3.2
81.07063	32.4
83.04995	11.2
83.08624	3.3
85.06558	3.3
91.05489	25.2
93.07053	21.8
95.04977	100.0
95.08618	13.5
97.06550	6.1
105.04546	1.1
105.07039	19.3
105.07690	1.5
107.04299	1.7
107.04967	16.8
107.08604	13.8
109.06528	26.1
109.10181	4.3
111.08106	3.1
113.73676	1.0
115.05422	2.1
116.06241	1.5
117.07032	10.2
119.04979	1.1
119.08583	8.5
121.06515	9.8
121.10152	5.6
123.04482	1.8
123.08111	4.6
123.11728	1.9
125.09661	1.2
127.03979	1.4
128.06235	1.6
129.07016	4.9
130.07787	1.2
131.08578	15.8
133.06506	6.0
133.10152	7.1
135.08067	26.2
135.11710	6.5
137.06015	3.3
137.09592	1.9
139.03908	2.3
139.11243	1.2
143.08575	9.9
145.06503	1.8
145.10130	11.1
147.08092	7.9
147.11696	3.6
149.09641	6.7
149.13260	4.7
151.03929	3.7
155.08640	0.9
157.10175	2.6
159.08047	1.1
159.11688	4.3
161.09598	6.4
161.13271	1.1
161.24762	0.8
163.07603	1.1
163.11220	2.9
169.10129	2.7
171.11716	3.8
175.11226	3.0
177.12766	3.9
185.13287	1.6
187.11156	3.1
189.12772	2.0
195.11737	1.5
199.11325	1.1
205.12276	1.5
209.15414	1.1
211.14874	1.1
217.15947	3.7
227.18077	2.8
237.16423	2.0
245.19066	2.5
255.17470	2.7
264.49939	1.0
273.18503	29.6
305.21127	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	305.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03720	0.7
53.03939	3.1
55.01876	12.2
55.05513	11.8
57.03442	7.5
57.07063	0.7
65.03951	5.3
67.05509	60.8
69.03424	1.7
69.07066	7.3
69.84791	3.2
71.04999	1.1
73.06556	1.2
77.03941	1.6
79.05497	30.8
81.03430	3.4
81.07062	25.9
83.04993	3.1
83.08623	3.4
85.06545	3.1
91.05486	26.6
93.07051	23.4
93.07642	1.3
94.07341	0.9
95.04974	100.0
95.08611	12.9
97.06533	6.2
97.10171	2.1
98.06055	1.2
98.21315	1.3
103.05466	1.3
105.03422	0.6
105.04539	0.9
105.07040	20.0
107.04969	12.1
107.08601	17.6
109.02896	1.9
109.06525	30.1
109.10165	2.8
111.08089	2.5
115.05468	2.4
116.06256	1.6
117.07021	10.0
119.04926	1.5
119.08588	8.9
121.06517	9.5
121.10180	4.9
123.04447	2.6
123.08062	3.7
123.11723	1.0
125.09649	1.1
127.03928	4.6
128.06192	1.5
129.07019	5.2
130.07805	1.1
131.08577	15.7
131.09544	1.2
133.00325	0.6
133.02818	0.6
133.06509	4.5
133.10130	6.0
135.08060	34.6
135.11690	5.9
137.05989	3.2
137.09639	1.5
138.36987	0.6
139.03915	4.2
141.06998	1.3
142.07768	0.9
143.08575	7.9
144.09416	0.6
145.06511	1.9
145.10121	9.6
147.08049	6.7
147.11679	2.9
149.09621	5.8
149.13261	2.5
151.03891	8.4
151.11131	0.7
153.01799	0.6
155.03421	2.0
155.08562	1.1
157.10170	4.8
159.08067	1.8
159.11688	4.2
161.09627	5.5
161.13237	1.1
163.07506	0.9
163.11198	3.8
169.10172	1.9
171.08055	0.6
171.11661	3.9
175.11247	1.7
177.12790	3.9
179.03413	1.7
181.10310	0.6
183.11630	1.5
185.09750	0.6
185.13226	2.9
186.83273	0.6
187.11208	2.5
189.12796	1.3
195.11803	1.0
199.11238	0.8
199.14903	2.1
201.12741	1.6
203.14400	0.9
205.12288	1.8
217.15900	6.6
227.18021	1.6
229.15854	0.8
233.15480	1.3
234.47014	0.6
237.16440	0.8
245.18930	2.7
255.17531	2.4
273.18500	28.6
274.18845	0.7
275.05475	0.6
277.07056	1.0
287.05588	2.5
305.06543	0.8
305.21152	14.3
305.26712	4.7
305.30630	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94519	0.6
53.03938	2.3
55.01878	3.1
55.05515	9.3
56.56680	0.7
57.03431	2.1
57.07079	26.8
59.04993	3.0
59.99099	1.0
60.22836	0.6
65.03943	5.4
67.05507	56.6
69.03424	1.2
69.07069	5.5
71.04990	0.8
71.08636	14.2
71.51475	1.1
77.03933	0.6
79.05496	15.3
81.03416	2.1
81.07059	14.7
83.04989	1.6
83.08630	2.1
85.06540	0.9
85.10188	12.5
86.06083	1.9
89.06031	2.4
89.88766	0.6
91.05486	15.9
91.06023	1.2
91.33359	0.7
93.07052	16.6
95.04973	100.0
95.08601	8.3
97.06528	4.3
97.10155	1.3
103.05502	1.0
105.07032	12.6
106.06570	7.9
107.04973	7.9
107.07059	0.9
107.08600	7.3
109.02909	1.9
109.06528	5.3
109.10173	2.4
111.08099	3.2
115.05423	0.8
116.05329	4.7
116.06136	1.1
117.07047	3.5
119.08584	5.8
121.06533	6.4
121.10149	4.2
123.04443	1.5
123.08089	1.5
127.03944	1.9
128.06215	1.0
129.07004	1.9
131.08574	9.8
133.06509	3.7
133.10094	3.7
134.07288	0.7
135.08092	2.2
135.11674	4.5
137.06013	3.2
139.03923	2.2
143.08582	5.3
145.04422	0.9
145.06575	0.7
145.10135	6.3
147.08067	4.9
147.11710	2.1
149.09645	2.6
149.13264	1.8
151.03935	3.5
157.10182	1.6
159.08081	0.7
159.11671	3.2
161.09645	1.9
163.11229	2.4
169.10114	1.2
171.11676	1.7
173.09668	0.7
177.12791	2.7
179.03487	0.8
179.10738	1.0
185.13225	1.0
187.11241	1.8
201.10582	7.2
205.12357	2.1
227.18022	1.7
237.16420	0.9
245.19063	1.2
255.17465	1.3
273.18512	22.9
287.05545	0.9
305.21091	6.1
323.02121	0.7
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
51.56871	1.5
53.03943	3.8
55.01873	23.7
55.05514	17.4
57.03438	16.1
58.78119	1.1
65.03933	7.3
67.05506	68.7
69.03439	3.7
69.07064	10.6
69.86072	5.7
71.04992	2.3
72.01553	1.1
77.03917	1.9
79.05495	54.7
81.03410	3.5
81.06588	2.1
81.07062	34.8
83.05005	2.6
83.08614	5.0
85.06545	5.5
91.05484	46.3
93.07047	29.9
95.04969	100.0
95.08607	19.0
97.06526	6.5
97.10167	3.9
103.05442	2.0
104.57615	1.2
105.07037	32.1
107.04962	21.8
107.08598	29.4
109.02881	4.6
109.06520	58.4
109.10172	4.6
111.08079	3.7
114.26537	1.2
115.05454	5.3
116.06233	1.3
117.07019	18.1
119.04976	2.5
119.06053	2.3
119.08584	16.5
121.06514	14.6
121.10135	8.6
122.07265	1.6
123.04439	4.4
123.08091	2.2
123.11691	1.6
125.09677	1.2
127.03935	9.4
128.06252	2.9
129.07031	9.5
130.07794	1.6
131.08575	24.1
132.41649	1.1
133.02869	2.1
133.06503	6.8
133.10146	8.0
135.08055	82.8
135.11674	7.2
137.05963	6.2
139.02267	1.3
139.03876	7.9
141.06940	1.7
143.08557	11.2
145.06534	2.8
145.10135	17.0
146.07465	1.1
147.04280	1.4
147.08051	13.2
147.11687	4.3
148.08455	2.4
149.02283	1.3
149.09634	11.9
149.13292	4.6
151.03912	12.7
151.11142	1.3
155.03360	2.8
157.10135	8.3
159.08090	2.7
159.11749	8.7
161.09622	10.0
161.13240	2.5
162.10042	3.4
163.11200	5.1
169.10124	3.2
169.66592	1.1
171.11656	5.9
173.13329	2.6
175.11156	5.6
177.12749	6.2
179.03391	2.8
183.11690	2.1
185.09718	1.2
185.13304	1.4
187.11154	3.7
189.12720	2.9
195.11713	2.6
197.13164	1.7
199.11131	2.8
199.14835	5.3
201.12724	2.6
203.03452	2.3
205.12296	1.9
217.15837	16.6
227.17987	3.5
233.15387	2.3
237.16469	3.2
241.04932	1.4
245.19003	3.4
255.17509	6.0
255.19810	1.1
269.70111	1.1
273.18484	44.4
277.07123	2.4
287.05582	2.7
287.20023	1.4
295.34705	1.2
305.06485	2.9
305.21100	36.6
306.27988	5.4
327.10916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1503
Annotation	Nicotianamine
Peak:m/z	Relative Intensity
52.11629	0.9
53.03948	0.9
54.67723	0.8
56.05041	14.5
56.91234	0.7
56.96560	1.0
58.06604	6.7
68.05029	4.1
69.03416	1.8
70.06254	1.3
70.06596	15.8
70.08426	3.4
72.08137	1.2
74.02438	1.4
74.06060	1.7
81.03420	1.8
82.06589	2.3
84.04485	2.8
84.08131	3.6
85.02908	3.0
85.07667	5.3
86.06073	18.0
86.29832	0.9
88.03982	1.2
96.08154	1.0
98.06072	0.9
98.09698	1.7
98.97581	1.7
100.03980	3.1
102.05540	9.2
111.09221	1.3
113.07128	2.1
114.05536	65.0
116.07042	0.9
116.98630	1.1
119.01900	1.0
124.03942	0.9
124.07609	10.3
125.07064	1.0
127.03887	1.5
128.07068	4.5
129.06598	5.2
130.05005	2.3
135.19118	0.9
139.08614	2.4
140.07080	1.0
141.10223	11.7
142.08662	9.2
145.09700	3.3
151.08694	1.7
151.42249	0.8
153.01825	2.5
157.06139	1.0
157.09749	5.6
168.06506	1.7
168.11316	2.9
169.09708	2.2
171.95834	0.8
185.09227	100.0
186.07629	5.9
196.10831	4.4
200.04549	0.9
203.10258	4.6
213.59256	0.8
214.11873	3.3
215.10155	2.0
240.13387	5.8
258.14587	1.9
268.12772	1.8
286.13995	55.1
304.08087	2.4
304.15060	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	304.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
56.04794	0.8
56.05040	9.9
56.80837	0.5
57.07083	7.4
58.06596	5.3
60.04529	15.2
67.05501	1.5
68.99783	1.3
69.03433	0.9
69.07074	1.1
70.06606	0.7
71.08636	4.4
71.51215	1.1
74.06084	9.9
81.03429	1.1
81.07053	1.4
83.08628	0.8
85.10159	1.5
86.06072	1.7
86.09671	0.5
88.07634	34.5
91.05515	0.6
91.89026	0.7
93.07047	1.2
95.08604	1.0
98.85423	0.6
104.07109	0.8
105.06998	0.6
107.08599	0.8
108.35398	0.6
109.02863	2.5
113.05992	0.6
118.08653	6.3
121.06516	1.9
122.08154	5.7
123.04456	3.0
127.03941	6.1
133.02846	1.3
139.03905	6.3
147.04443	1.2
149.02380	1.2
151.03926	11.5
153.01859	1.0
155.03397	2.1
165.05469	1.4
167.03357	0.8
175.03902	1.2
179.03391	2.6
195.08221	0.6
203.03473	1.3
213.05499	0.6
230.05206	0.7
241.04973	1.7
256.26361	35.0
268.26343	1.5
275.05414	1.2
277.07104	1.2
286.27408	3.8
287.05643	2.9
304.05414	4.9
304.28488	100.0
305.06470	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	304.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.2
55.05501	0.6
65.03950	1.9
70.41166	0.4
70.41507	0.4
71.01347	0.2
74.07908	0.2
79.01839	0.3
81.03417	0.5
83.01338	0.2
83.04977	0.5
89.50935	0.2
91.05450	0.3
93.03400	0.6
93.07060	0.5
96.02090	0.5
103.05495	0.2
115.22469	0.2
121.06515	9.6
124.01522	0.4
125.02341	0.7
139.03905	0.7
143.03392	0.3
149.00531	0.3
153.01833	2.0
157.04977	6.9
157.06277	0.3
167.03412	100.0
168.03755	0.7
207.84125	0.2
267.70111	0.2
287.09155	2.0
304.11792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
55.01905	1.9
57.03432	4.8
60.04525	7.2
61.02924	2.3
65.32831	1.6
68.99795	11.7
69.03433	13.9
69.07072	43.1
69.46273	9.6
71.08640	18.5
72.03860	1.4
73.02916	1.6
81.03425	9.7
84.04517	3.4
85.02911	73.9
86.02422	3.4
96.08096	2.2
97.02893	47.3
97.06531	6.6
99.04442	2.4
103.03951	6.7
109.02866	13.4
114.09181	15.5
115.20945	1.5
121.06564	2.5
127.03922	17.9
138.09178	3.4
139.00288	5.2
139.03915	2.5
142.08644	100.0
145.04973	5.8
147.43082	1.7
151.03937	3.7
156.10246	3.4
158.23962	1.6
165.05435	2.0
166.99783	3.6
180.10254	1.8
184.09702	77.0
185.06059	1.7
208.09721	18.7
213.05530	4.3
220.09723	1.9
227.78459	1.4
238.10863	1.8
241.05025	7.2
250.10767	9.5
268.11853	2.1
286.07224	2.9
286.12924	1.9
287.05566	12.0
304.05331	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	303.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46515	0.5
52.46776	0.5
55.01871	1.1
55.05507	3.8
57.03437	1.2
57.07071	1.8
57.55622	0.5
59.05004	0.6
65.03954	0.9
67.01878	0.6
67.05509	4.8
68.99792	2.1
69.03427	1.8
69.07068	5.6
69.22054	4.8
69.22476	1.2
71.04976	1.5
79.05495	3.5
81.03452	0.8
81.07053	6.3
83.04977	1.7
83.08609	2.3
85.06536	1.5
91.05495	6.5
93.03396	0.7
93.07048	7.4
94.69827	0.5
95.04979	3.6
95.08057	0.9
95.08612	10.0
97.02897	1.6
97.06523	2.1
97.10155	1.1
99.04426	1.2
103.05459	1.0
105.06397	0.9
105.07044	10.3
105.07713	1.2
107.04944	0.9
107.08593	9.4
109.02893	1.4
109.06519	2.4
109.10167	5.1
110.03650	0.6
111.00814	1.1
111.04433	1.0
111.08072	1.7
115.05431	1.0
117.06995	3.0
119.04973	1.4
119.08578	11.8
121.02861	2.0
121.06517	2.7
121.10151	7.0
123.04420	1.7
123.08092	1.3
123.11699	1.7
125.09657	0.7
128.06245	1.6
129.07028	2.0
130.07750	0.8
131.04909	0.9
131.08569	6.6
131.54205	0.5
133.10138	7.3
135.04391	0.6
135.08018	2.8
135.11691	3.9
137.02332	5.5
137.03322	0.9
137.06006	2.0
137.09601	4.3
139.04044	0.7
139.11226	1.3
141.06970	1.2
142.07777	1.7
143.08569	4.2
144.09308	0.9
145.06474	1.8
145.10132	8.0
147.04417	5.7
147.08025	3.9
147.11696	7.3
149.02332	1.3
149.06030	1.2
149.09703	2.7
149.13271	2.2
151.03932	2.9
151.07536	3.5
151.11273	0.8
153.01828	12.2
153.05469	0.8
155.04903	1.0
155.08536	2.4
156.09337	2.4
157.10139	5.3
158.07304	0.8
158.10886	1.0
159.04369	0.6
159.08078	1.7
159.11713	5.7
161.06021	1.2
161.09616	2.7
161.13268	3.9
163.03940	1.5
163.07544	1.4
163.11217	2.3
163.14870	1.6
165.01833	3.7
165.06987	1.0
165.09097	1.4
166.02702	0.7
167.10686	0.7
168.09358	0.9
169.10141	2.2
170.10948	1.5
171.07999	0.9
171.11688	6.3
172.08859	0.8
172.12544	0.7
173.06007	2.0
173.09607	4.3
173.13243	5.9
175.11218	2.6
175.14734	0.8
177.01744	0.6
177.09131	1.6
177.12819	0.8
179.03366	0.8
179.07072	1.2
181.10115	0.7
182.10884	0.8
183.02875	1.4
183.04410	1.2
183.08084	1.6
183.11719	2.7
185.07202	0.6
185.09622	2.4
185.13220	4.2
186.10460	1.0
187.03914	1.0
187.07512	1.0
187.11192	5.3
187.14832	5.7
188.15468	1.1
189.12781	2.2
191.10715	1.2
191.14299	1.5
193.10158	0.8
193.12361	0.5
195.08112	0.8
197.09654	0.7
197.13316	2.4
199.11194	3.8
199.14841	3.1
201.05415	4.1
201.09123	0.8
201.12738	4.3
201.16437	1.5
203.03368	0.6
203.14349	2.0
204.15096	1.1
205.15891	7.2
207.11662	0.9
207.13615	0.6
209.13263	1.1
210.10393	0.8
211.11203	1.9
211.14929	1.4
213.05527	0.9
213.12645	0.9
214.13469	0.6
215.10695	1.0
215.14281	2.7
215.17996	0.7
217.12274	2.1
217.15927	1.0
219.03119	0.6
219.06590	0.8
219.13875	0.6
224.12048	0.8
225.12730	2.7
225.16357	1.1
227.10701	1.5
227.14319	2.0
228.04195	0.7
228.11490	0.7
229.04977	8.0
229.12225	2.4
229.15895	1.2
229.19560	1.4
239.17868	2.8
241.19565	1.5
242.12985	4.8
243.11302	2.2
243.13832	8.4
243.17560	1.3
245.15388	1.3
247.05942	1.8
247.13324	2.2
257.04407	5.9
257.19064	5.6
259.20715	0.8
261.15042	1.1
267.17538	1.7
271.09869	1.1
274.04568	1.4
275.20129	1.0
285.03949	2.2
285.18527	16.5
285.22052	1.5
286.14468	0.8
303.05014	100.0
303.13834	3.5
303.19574	11.8
303.23199	9.9
304.05292	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01871	0.7
55.05518	1.5
57.07069	0.7
65.03922	0.8
65.12169	0.2
67.01862	0.5
67.05510	2.5
68.99791	2.2
69.03424	1.5
69.07067	2.0
71.05006	0.3
71.50893	0.5
79.05495	1.6
81.03409	1.0
81.07063	2.9
81.89277	0.2
83.04957	0.9
83.08615	1.0
85.06546	0.4
91.05478	1.8
93.03391	0.8
93.07045	2.7
95.04974	1.8
95.08606	2.8
97.02897	0.3
97.06541	0.8
97.10146	0.7
99.04472	0.3
100.11241	0.4
103.05459	0.4
105.07030	3.5
107.04964	0.5
107.08611	3.3
109.02885	1.4
109.06514	0.8
109.10154	2.3
111.00812	2.0
111.04417	0.4
111.08096	0.5
117.07009	1.0
119.08589	3.6
121.02886	1.9
121.06488	0.6
121.10161	2.5
123.04424	1.3
123.08099	0.7
123.11697	0.9
125.09631	0.5
127.03946	0.4
128.06203	0.3
129.06984	0.7
131.04942	0.4
131.08601	2.2
133.06520	0.5
133.10118	3.2
135.08022	1.1
135.11673	1.5
137.02356	7.5
137.03410	0.6
137.05966	0.8
137.09618	0.8
139.11127	0.5
141.06990	0.4
142.07797	0.6
143.08531	1.3
144.09425	0.3
145.06517	0.8
145.10130	2.6
147.08034	1.2
147.11679	3.0
148.12477	0.5
149.02342	0.9
149.09598	0.9
149.13268	0.6
151.03874	1.0
151.07504	0.6
151.11244	0.5
153.01840	12.6
155.04973	1.2
155.08560	0.7
156.09364	0.8
157.10141	1.9
158.10896	0.5
159.08046	0.7
159.11693	2.4
160.08853	0.3
161.05956	0.7
161.09637	1.2
161.13251	1.5
163.03891	1.3
163.07555	0.5
163.11140	0.6
163.14743	0.3
165.01845	4.8
165.09134	0.7
166.02681	0.6
167.03340	0.3
169.10161	0.7
170.10959	0.6
171.11703	2.1
173.02243	0.3
173.06001	1.6
173.09677	1.5
173.13275	2.3
175.11217	0.9
175.14761	0.5
177.05423	0.4
177.09082	0.6
179.03418	0.5
183.02898	1.7
183.04442	0.8
183.07996	0.4
183.11736	0.7
184.12625	0.3
185.09618	0.6
185.13248	1.8
186.10396	0.4
186.14047	0.4
187.03935	1.1
187.07596	0.4
187.11147	1.3
187.14838	1.5
189.12680	0.7
191.03340	0.3
191.10643	0.5
195.02901	0.5
197.09798	0.3
197.13287	0.8
199.11203	1.0
199.14850	0.8
201.05466	4.4
201.09148	0.3
201.12718	1.5
201.16409	0.4
203.14345	0.4
205.04967	0.5
205.12213	0.5
205.15842	1.8
207.11813	0.3
209.13321	0.4
210.10394	0.3
211.11237	0.5
211.14847	0.7
213.05339	0.3
213.12827	0.5
215.03383	0.4
215.14302	0.7
216.14906	0.2
217.12280	0.6
219.06546	0.6
225.12802	1.0
227.10686	0.4
227.14250	0.4
228.04222	0.8
229.04964	10.6
229.12215	0.6
229.15894	0.6
229.19429	0.4
230.05331	0.3
239.03481	0.3
239.17949	0.9
242.12933	1.6
243.13795	3.2
243.17534	0.6
246.05081	0.3
247.06020	1.4
247.13182	0.6
257.04465	5.7
257.19070	1.8
259.20712	0.4
267.17459	1.1
274.04828	1.4
275.05450	0.6
275.20105	0.4
285.03925	2.8
285.18491	5.4
285.21677	0.5
303.05011	100.0
303.19571	3.8
303.23206	4.6
304.05380	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	303.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
64.61406	0.4
65.03909	0.6
67.05475	1.0
68.99780	0.7
69.07080	2.0
70.06561	0.6
72.08108	0.4
77.39697	0.4
79.05505	1.7
80.03735	0.4
81.03407	0.4
81.07039	1.1
82.06551	0.9
84.04497	2.0
84.08114	0.7
86.09708	0.9
88.11245	0.8
89.03891	1.2
91.05447	1.3
92.04996	0.9
93.07022	1.0
94.06596	2.3
95.04951	1.1
96.04478	0.7
96.08113	0.4
98.06057	0.6
105.07018	0.5
106.06574	2.3
107.04927	1.1
107.07309	0.6
107.08559	0.7
109.02888	0.5
110.06055	7.3
112.07558	0.9
116.04964	0.9
117.05719	0.5
119.04974	0.4
120.03639	0.6
120.04471	11.7
121.02808	0.6
121.05302	0.4
121.06497	1.1
122.06010	4.1
123.04440	0.4
123.06818	0.4
123.08065	0.5
124.03809	0.4
124.07581	4.2
124.70741	0.4
130.04999	0.7
133.10136	0.5
134.06009	4.3
135.04431	0.7
136.07565	0.7
137.05917	0.9
138.05511	0.7
139.03935	0.4
140.07060	6.3
141.07858	5.8
142.08647	16.6
144.04436	1.3
149.02316	1.6
151.03902	1.4
153.01816	2.9
154.08644	1.6
154.12259	3.4
162.05511	100.0
163.06213	1.7
164.07062	0.9
167.03409	7.6
177.01863	0.6
203.03435	0.8
204.06583	0.4
215.93144	0.4
216.10204	1.7
226.08965	0.4
229.05066	1.5
230.08217	0.8
243.01183	0.5
243.11299	1.2
244.09778	0.9
247.06177	0.4
257.04514	1.3
257.15076	0.5
258.11230	3.1
261.12366	6.9
261.14911	0.6
279.13333	2.3
285.12210	2.0
286.10776	3.0
303.05090	24.0
303.13342	11.3
304.05212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0865
Annotation	Lanceoletin
Peak:m/z	Relative Intensity
51.10600	0.4
53.03941	1.0
55.01871	1.1
55.05509	5.1
55.91356	0.4
57.03425	0.8
57.07060	1.1
65.03923	1.7
67.01867	6.5
67.05507	6.2
68.02666	0.5
68.99796	2.3
69.03443	2.1
69.07066	5.9
70.06587	0.8
70.81641	1.0
70.81981	0.4
71.04979	1.2
79.01851	0.5
79.05500	5.3
81.03403	0.7
81.07062	12.0
83.01361	0.5
83.04971	2.0
83.08618	2.3
84.08137	0.6
85.06548	1.7
89.03917	6.3
91.05484	5.9
91.20567	0.4
93.03405	1.3
93.07053	10.3
95.04978	3.1
95.08609	10.2
97.06519	1.6
97.10179	1.3
99.04475	0.6
103.05453	0.5
105.07034	11.0
107.04954	3.5
107.08590	9.3
109.02894	0.8
109.06503	2.0
109.09477	0.7
109.10165	8.9
111.00825	0.7
111.04454	5.8
111.08092	0.7
111.11708	0.4
115.05421	0.7
117.03387	10.4
117.07001	1.6
119.04931	0.6
119.08594	10.7
121.02842	1.5
121.06480	2.4
121.10152	8.1
123.04439	4.0
123.08081	1.7
123.11713	2.3
125.02369	3.0
125.05942	0.5
125.09641	1.5
127.11221	0.7
129.07010	0.7
131.04939	1.4
131.08583	3.4
133.10130	7.0
135.04420	19.2
135.08061	2.1
135.11707	5.6
137.02353	4.1
137.06007	2.2
137.09612	2.1
137.13232	0.9
139.03899	3.1
139.11131	0.7
141.05508	0.9
143.08536	1.1
145.02853	13.0
145.03999	0.9
145.10147	4.9
147.08040	1.1
147.11685	7.6
149.09619	2.0
149.13278	1.9
151.03929	1.0
151.07536	2.0
151.11179	1.0
152.01018	0.6
153.01840	4.0
153.05530	0.5
155.04938	0.6
155.08533	0.5
155.10645	0.6
157.10152	1.4
159.04398	1.7
159.08038	0.7
159.11693	4.6
161.05989	0.4
161.09618	0.6
161.13237	4.5
163.03909	71.4
163.11172	1.3
163.14856	0.7
164.04280	0.4
165.01842	2.3
165.05461	1.9
165.06805	0.7
165.12753	0.8
167.03406	100.0
168.03708	0.5
168.05780	0.4
169.10167	0.8
171.11702	1.1
173.05997	1.0
173.13277	3.0
175.11148	1.3
175.14836	1.8
177.12697	0.7
179.10690	0.5
183.02888	0.5
183.11703	0.7
185.04454	4.8
185.13251	0.7
187.03946	2.8
187.11285	0.6
187.14804	2.3
189.09071	0.6
189.12659	1.0
189.16432	1.0
191.03479	0.6
191.10681	1.0
193.04944	4.0
193.12370	0.5
199.14780	0.5
201.05431	1.8
201.12868	0.7
201.16412	1.0
203.14366	0.7
203.17969	1.2
205.04926	2.4
205.15915	0.8
207.13754	0.7
211.07619	0.8
213.16769	0.6
223.36885	0.5
229.04971	4.6
229.12268	0.6
229.19487	0.5
233.15398	1.0
243.10942	0.6
243.17297	0.6
243.21030	0.8
247.06012	0.6
247.17039	1.1
257.04547	2.2
257.22534	1.1
267.21024	0.9
271.09497	0.6
274.04614	0.6
285.03900	1.0
285.07523	1.8
285.12238	1.1
285.18597	1.1
285.22125	3.0
302.30307	0.6
303.04993	47.4
303.08609	75.7
303.20169	0.9
303.23175	23.6
304.05475	0.6
304.08862	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	303.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.2
55.01871	0.4
55.15321	0.2
65.03925	0.6
67.01842	0.3
67.05497	0.4
67.94969	0.2
68.99509	0.2
68.99797	2.5
70.94040	0.2
71.15434	0.4
77.01002	0.2
81.03427	1.0
93.03399	0.9
95.04963	0.8
95.08636	0.3
109.02876	1.1
111.00818	1.7
112.36918	0.2
115.05442	0.3
121.02867	2.4
123.04420	0.6
127.03921	0.3
131.04916	0.5
135.04413	0.6
137.02353	7.2
137.03403	0.5
143.39011	0.2
145.06458	0.6
149.02336	0.7
153.01845	11.1
155.04942	1.0
155.06076	0.3
157.06451	0.2
161.05986	0.6
162.69084	0.2
163.03905	1.5
165.01857	3.5
166.02615	0.6
173.06052	1.6
179.03424	0.4
183.02878	1.4
183.04448	1.1
187.03897	0.6
191.03539	0.2
191.06953	0.2
195.02937	0.7
201.05484	4.1
205.05011	0.2
217.04974	0.2
219.06557	0.7
228.04248	0.8
229.04988	9.0
232.03738	0.3
239.03401	0.5
247.06070	1.1
257.04495	5.3
274.04825	1.4
275.05478	0.3
285.04007	2.6
294.75522	0.2
296.76492	0.2
303.05014	100.0
304.05432	1.5
310.33148	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00705	0.2
55.01858	0.7
59.44489	0.2
65.03944	0.4
67.01865	0.2
67.05501	0.4
68.99794	1.8
71.06344	0.5
81.03408	0.7
89.44996	0.2
93.03390	0.5
95.04948	1.0
103.05471	0.2
105.03390	0.3
107.04948	0.2
109.02897	0.9
111.00810	2.3
114.31435	0.2
117.07021	0.4
121.02861	2.1
123.04414	0.7
127.03921	0.3
129.06998	0.3
131.04979	0.2
133.06473	0.2
135.04431	0.5
137.02354	7.8
137.03398	0.5
137.65585	0.2
145.06438	0.6
149.02341	1.0
153.01837	9.7
155.04895	1.2
159.04398	0.3
161.05972	0.7
163.03943	1.3
165.01859	3.7
166.02655	0.6
167.03363	0.3
173.05992	1.4
179.03426	0.4
183.02887	1.6
183.04445	0.9
185.62083	0.2
187.03949	1.0
191.03369	0.4
191.07091	0.3
195.02928	0.3
201.05493	4.5
205.01213	0.3
205.04997	0.7
211.03780	0.4
213.05495	0.4
219.02899	0.3
228.04173	0.6
229.04968	9.3
230.05360	0.2
239.03297	0.4
247.06134	1.5
256.10797	0.3
257.04477	4.6
274.04745	1.3
275.05365	0.3
285.03928	1.9
288.09811	0.2
303.05008	100.0
304.05334	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03939	0.3
55.01873	0.5
56.85451	0.2
59.87219	0.2
65.03938	0.7
67.01854	0.6
67.05510	0.3
68.19118	0.2
68.99799	3.2
69.03431	0.4
69.38299	1.6
69.38681	0.5
79.19354	0.2
81.03416	0.9
82.66872	0.2
91.05452	0.2
93.03407	0.7
95.04984	1.0
105.03414	0.4
109.02905	1.4
111.00816	2.3
111.04451	0.2
115.05480	0.4
117.07001	0.5
119.04914	0.2
121.02892	2.9
123.04454	1.0
127.03907	0.5
131.04930	0.4
135.04434	0.7
137.02356	9.7
137.03426	0.9
138.02722	0.2
145.02861	0.3
145.06497	0.9
149.02371	1.1
153.01837	13.4
155.04942	1.4
155.05995	0.3
157.06607	0.3
159.04387	0.4
161.05991	0.9
163.03943	1.6
165.01837	5.1
166.02609	0.6
173.06017	1.5
177.01855	0.2
177.05533	0.5
179.03352	0.5
183.02890	2.0
183.04454	1.2
187.03891	1.2
191.03398	0.4
195.02881	0.6
201.05479	6.5
205.04993	0.6
211.03914	0.7
213.05463	0.6
215.03265	0.2
219.06560	0.5
228.04233	1.0
229.04970	12.7
239.03372	0.8
246.05194	0.4
247.06065	1.3
257.04489	5.7
261.03983	0.3
274.04767	1.6
275.05399	0.4
279.79733	0.2
285.03928	2.8
290.24884	0.2
303.05005	100.0
304.05344	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01863	0.3
65.03931	0.4
67.01837	0.6
67.05495	0.3
68.99785	2.1
69.03395	0.2
69.44524	1.8
71.21590	0.2
81.03411	0.9
93.03410	0.7
95.04953	0.6
105.03363	0.3
109.02862	1.1
111.00808	1.9
115.05459	0.3
117.06999	0.4
121.02850	2.0
123.04419	0.7
127.03891	0.3
131.04916	0.4
135.04420	0.5
137.02345	6.9
137.03398	0.6
145.06497	1.0
149.02310	0.8
153.01826	10.4
155.04883	1.2
159.04324	0.3
161.06000	0.6
163.03903	1.5
165.01843	3.6
166.02594	0.7
173.05978	1.6
177.05496	0.3
178.98593	0.2
183.02943	1.3
183.04407	1.0
187.03935	1.1
191.03502	0.5
195.02895	0.3
200.68318	0.2
201.05464	4.7
201.07208	0.4
205.04871	0.5
207.02884	0.3
211.03819	0.5
219.06575	0.6
222.97610	0.2
228.04150	0.7
229.04955	10.2
239.03349	0.5
245.04520	0.4
247.06052	1.3
257.04425	4.9
274.04810	1.0
275.05542	0.3
285.03894	2.5
292.52643	0.2
303.04984	100.0
304.05231	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03952	0.4
53.80382	0.2
55.01865	0.6
55.05505	0.6
65.03947	1.1
67.01853	0.5
67.05504	0.9
68.99789	2.3
69.03424	0.5
69.07076	0.9
69.53103	0.3
69.53516	0.8
79.05493	0.8
81.03420	0.9
81.07060	1.7
83.04951	0.2
83.08619	0.3
85.06540	0.4
91.05483	0.9
92.04996	0.3
93.03390	0.7
93.07056	1.9
95.04968	1.4
95.08604	1.2
97.06528	0.5
98.20788	0.3
99.04469	0.2
103.05466	0.2
105.03381	0.3
105.07040	1.9
107.04995	0.4
107.08592	1.3
109.02883	1.2
109.06517	0.3
109.10135	0.7
111.00821	1.9
111.08115	0.2
115.05492	0.3
117.07016	0.5
119.08569	1.7
120.08119	0.2
121.02885	2.0
121.06510	0.8
121.10168	0.9
123.04424	0.8
123.08129	0.3
123.11721	0.6
125.09618	0.3
127.03938	0.4
128.06314	0.2
129.06995	0.2
131.04935	0.6
131.08568	0.4
133.02869	0.3
133.06516	0.3
133.10139	0.8
135.04373	0.4
135.08061	0.2
135.11670	0.3
137.02351	7.7
137.03403	0.5
137.05995	0.5
138.05508	1.9
138.09166	1.1
143.04877	0.3
145.06491	0.7
145.10120	0.6
147.11707	1.5
148.03915	0.4
149.02391	0.9
149.09596	0.2
149.13266	0.3
151.03859	0.4
151.07486	0.3
153.01836	11.9
155.04924	1.2
155.06093	0.4
157.10086	0.3
159.04446	0.2
159.11719	0.7
161.05998	0.6
161.09596	0.2
161.13292	0.5
163.03891	1.5
163.05099	0.2
165.01849	4.2
165.12756	0.3
166.02617	0.6
166.05011	2.8
167.03444	0.2
171.11688	0.2
171.40050	0.2
173.06009	1.5
173.13274	0.3
175.11165	0.4
175.14709	0.2
177.01840	0.3
177.05453	0.3
178.04988	0.2
179.03352	0.4
183.02888	1.6
183.04442	0.9
184.11024	0.2
187.03946	1.0
187.14851	0.2
191.03386	0.3
191.10634	0.2
193.12271	0.4
195.02864	0.4
198.09111	0.3
200.04710	0.2
201.05479	4.2
201.16370	0.2
205.05019	0.5
211.03960	0.6
212.10677	0.4
213.05553	0.4
214.12338	0.2
215.03482	0.2
215.11850	0.2
217.12277	0.4
219.02832	0.3
219.06560	0.7
228.04184	0.7
229.04980	9.6
230.05226	0.2
232.03746	0.2
235.13245	0.4
239.03450	0.6
239.11855	0.4
243.11282	0.9
245.04457	0.3
247.06038	1.3
247.17078	0.2
257.04474	5.5
257.12936	1.1
260.12939	0.3
267.11316	0.3
272.11603	0.9
274.04822	1.6
274.09470	0.7
275.05502	0.5
275.13913	0.5
285.03983	2.9
285.12363	3.3
285.22131	0.5
286.04492	0.2
303.05005	100.0
303.13171	7.6
303.23099	3.8
304.05341	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61197	0.2
55.01851	0.3
61.23874	0.2
63.52794	0.2
65.03942	0.4
67.01866	0.4
67.05495	0.2
68.99792	1.8
69.38148	1.0
69.38554	0.4
71.01334	0.2
73.80584	0.2
81.03426	0.5
93.03395	0.6
95.04967	0.7
105.03367	0.3
105.17513	0.2
107.04945	0.4
109.02906	1.1
111.00806	1.9
115.05508	0.2
117.07024	0.3
121.02882	2.0
123.04423	0.5
127.03910	0.5
129.06995	0.2
131.04945	0.5
132.36464	0.2
135.04431	0.4
137.02359	7.3
137.03395	0.5
145.06474	0.7
149.02383	0.9
149.05994	0.2
153.01843	10.3
155.04898	0.9
155.05980	0.3
159.04451	0.2
161.06015	0.5
163.03896	1.3
165.01863	4.1
166.02609	0.5
173.05991	1.0
177.01912	0.3
179.03445	0.4
183.02905	1.4
183.04437	1.1
187.03915	0.8
191.03357	0.2
195.02919	0.5
200.04784	0.2
201.05478	3.7
203.03552	0.2
205.04991	0.5
207.03011	0.3
211.03957	0.6
215.03323	0.2
217.04913	0.3
219.06584	0.6
228.04129	0.7
229.04967	9.2
233.04631	0.3
239.03481	0.4
246.05254	0.2
247.06039	1.5
257.04486	4.4
258.04938	0.2
274.04822	1.4
275.05405	0.4
285.04041	2.5
293.79745	0.2
303.05014	100.0
304.05374	2.2
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
56.81812	0.3
56.96551	0.5
70.04852	1.3
70.05216	0.7
74.33752	0.4
98.97588	4.5
101.00901	3.4
116.98627	1.3
119.01933	5.0
134.99751	0.7
137.02928	0.9
140.98853	0.7
158.99905	2.2
177.00969	12.1
178.01073	1.0
179.00772	0.5
182.99864	0.9
201.00922	4.2
217.04103	2.9
219.02011	20.6
220.02203	1.1
221.01822	2.0
225.00893	2.4
243.02000	12.1
244.02113	0.6
259.00085	0.6
261.03070	100.0
262.03198	7.2
263.02930	0.9
279.00665	1.1
279.98358	0.6
283.00040	1.0
284.04675	1.3
284.99786	3.6
301.01035	1.4
303.00885	3.2
303.04855	2.0
320.97894	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01872	0.4
57.19780	0.2
59.11837	0.2
61.95541	0.2
65.03920	0.7
67.01856	0.4
67.05490	0.2
68.99448	0.2
68.99793	2.5
69.03432	0.3
81.03411	0.7
86.09687	0.2
91.05462	0.3
93.03407	0.7
93.07039	0.2
95.04996	1.0
95.98168	0.2
98.20735	0.5
107.04952	0.2
109.02888	1.3
111.00809	2.0
115.05470	0.4
117.07007	0.5
121.02871	2.2
121.06524	0.3
123.04422	0.8
127.03931	0.5
128.06242	0.3
131.04950	0.5
133.06526	0.2
135.04404	0.5
137.02353	7.3
137.03398	0.5
137.05986	0.2
145.02849	0.2
145.06496	0.8
147.04424	0.2
149.02341	0.9
151.03954	0.2
153.01837	10.7
155.04927	0.9
155.06024	0.2
157.04892	0.2
159.04445	0.5
161.05981	0.6
163.03947	1.3
165.01855	3.8
166.02609	0.5
167.03401	2.3
171.56406	0.2
173.05981	1.4
177.01768	0.3
177.05466	0.3
179.03394	0.4
183.02884	1.5
183.04448	1.2
187.02463	0.2
187.03841	0.9
191.03421	0.4
191.07095	0.2
195.02893	0.4
201.05501	4.1
201.77472	0.2
205.05022	0.5
211.03946	0.6
214.18150	0.3
215.03345	0.3
217.04887	0.3
219.02879	0.3
219.06555	0.5
228.04187	0.8
229.04968	9.3
230.05234	0.3
239.03389	0.4
245.04465	0.3
247.06029	1.6
254.96283	0.2
257.04486	5.7
258.05011	0.4
267.02875	0.2
274.04794	1.5
275.05469	0.5
285.03961	2.9
285.12369	0.3
303.05002	100.0
304.05264	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.3
59.23032	3.6
61.02922	5.6
67.05505	6.0
69.03419	12.4
69.07057	4.3
70.06596	9.5
70.75414	9.5
72.08146	13.0
79.05488	5.7
81.03414	11.2
81.07071	10.3
85.02426	7.7
85.02909	85.9
85.08009	5.2
86.09733	4.3
91.05496	4.8
93.05770	5.0
94.06579	5.5
95.04999	5.1
97.02900	33.0
99.04493	5.5
103.03947	5.5
108.08133	15.5
109.02897	9.7
122.06041	13.3
123.04461	4.2
125.05971	4.0
126.05524	10.9
127.03952	19.3
136.07608	21.2
140.07074	44.3
145.04959	5.4
152.07054	19.6
153.01770	4.9
154.08659	11.2
164.07063	25.1
178.05037	4.9
178.08620	20.9
182.08141	100.0
206.08197	38.4
218.08047	6.7
248.09187	9.7
271.28821	4.6
303.05029	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.6
54.01827	1.2
54.21292	1.5
55.01875	1.6
57.03426	3.7
57.36413	1.3
61.02912	3.1
65.03946	1.4
67.05509	36.2
69.03432	17.4
69.07068	23.2
70.06593	2.1
70.95050	1.7
70.95369	2.2
72.08141	1.5
73.02899	3.5
81.03414	3.9
84.08146	3.8
85.02911	48.1
86.02459	1.3
86.09692	2.1
94.06547	1.5
95.04974	53.3
96.68665	1.2
97.02892	37.0
99.04471	1.5
103.03933	4.8
107.74789	1.3
109.02895	9.7
112.07613	34.4
113.05995	4.0
122.06071	2.2
123.04422	1.6
124.07581	3.7
127.03920	8.6
130.08643	2.5
136.07556	2.1
137.05986	2.1
140.07072	100.0
145.04945	3.8
147.11264	2.8
152.06999	2.0
154.08630	8.1
170.92467	1.3
178.08565	3.5
182.08141	67.4
206.08141	16.1
236.09166	2.9
248.09215	10.8
257.01630	1.3
303.04980	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1501
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
55.01853	2.1
55.39616	0.6
63.74022	0.6
70.06598	38.1
70.40686	0.5
71.51273	0.7
79.05496	0.7
86.09690	1.2
89.27982	0.5
91.05524	0.7
93.07055	0.5
95.04984	1.0
98.06039	0.6
109.02892	2.6
114.05541	22.7
115.05439	2.9
116.07101	18.3
117.05784	3.9
118.06573	1.2
121.06483	0.9
124.07626	0.9
125.07124	5.3
130.05754	0.4
130.06534	20.8
132.08101	50.5
134.54749	0.6
137.02296	3.7
137.05962	0.8
140.07098	0.8
141.27881	0.7
142.06532	8.2
143.07269	1.0
144.08093	16.2
159.09190	100.0
160.07619	3.9
160.09515	1.1
165.01892	0.8
167.03439	1.0
170.06017	24.4
171.07654	4.0
172.07536	3.8
227.96384	0.5
239.11745	1.2
243.11298	0.6
256.11743	0.9
257.07898	0.7
257.12866	4.3
285.07492	2.3
285.12344	48.1
286.12634	0.9
302.14957	6.6
302.17841	0.6
303.05066	1.9
303.14038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3055
Annotation	Sphinganine
Peak:m/z	Relative Intensity
51.03741	0.3
57.07082	5.7
58.06585	0.4
62.06090	0.4
69.41175	1.2
69.41580	0.7
70.06596	9.7
71.08636	3.2
73.56094	0.2
82.30213	0.2
85.10173	1.2
86.02766	0.2
88.07639	14.1
96.73206	0.3
102.09185	3.6
105.24058	0.3
106.08674	7.8
240.26744	0.3
258.27997	0.6
284.29489	6.6
302.30545	100.0
303.30997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54646	1.4
55.01861	2.8
57.03435	2.6
64.65416	1.4
65.03903	2.0
67.05180	2.8
67.05509	35.2
69.03433	15.9
69.07080	11.4
69.80789	1.7
70.03760	5.7
70.04153	3.1
70.06602	1.6
72.08173	2.0
73.02905	1.6
81.03425	7.0
84.08156	1.9
85.02911	43.4
85.98544	1.6
86.09691	3.6
93.88599	1.6
95.04971	59.7
97.02898	39.8
98.21420	2.0
103.03934	4.8
109.02884	8.8
112.07613	40.5
113.05997	4.7
123.04427	2.0
124.07585	2.5
127.03923	7.0
127.70383	1.8
140.07071	100.0
145.04965	3.2
150.65654	1.4
154.08633	8.9
157.16029	1.5
159.33081	1.4
170.82916	1.3
174.84253	1.5
178.08641	4.1
182.08138	72.7
197.30035	1.7
206.08121	15.0
217.29683	1.5
218.08134	3.8
248.09074	8.6
276.43698	1.5
287.89352	1.5
303.05032	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33722	13.2
57.03440	29.2
61.02922	61.6
69.03426	65.1
70.06599	51.2
70.62321	21.4
71.04980	27.6
73.02930	30.2
74.18466	14.1
81.03414	55.9
85.02900	100.0
97.02927	19.0
99.04470	26.4
100.05252	13.2
101.00872	34.5
105.43247	12.3
109.02872	78.9
113.02383	20.3
119.01920	22.9
127.03936	35.9
131.01921	25.5
133.03435	34.0
152.07108	24.0
157.03392	21.6
161.02962	31.9
167.01878	16.7
173.03233	15.8
181.05298	17.1
190.05838	23.0
196.04030	13.7
197.06628	61.3
199.06323	29.8
206.07153	45.9
213.03415	13.9
215.00423	21.3
215.07695	53.7
220.22354	15.5
235.06592	18.6
273.08969	16.7
302.02713	85.5
302.14453	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19093	23.2
60.10392	21.8
71.36551	43.4
74.22851	28.1
81.03411	27.8
82.87663	25.3
88.44341	21.9
112.89615	33.3
133.65742	28.4
138.05502	71.3
140.08215	83.2
152.07071	36.4
159.00412	27.0
296.17593	28.6
302.02576	100.0
302.13696	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.2
55.05513	5.6
57.03431	4.9
61.02918	5.7
67.05508	4.0
69.03421	10.3
70.06596	15.2
70.95821	5.6
72.08152	37.5
73.02915	3.2
79.05490	6.7
81.03405	6.3
81.07049	8.2
85.02913	88.2
86.09729	21.0
89.66430	2.7
91.05479	4.2
95.04964	10.8
97.02895	49.1
103.03945	6.2
108.08117	12.4
109.02885	12.9
110.06039	3.3
112.07578	3.9
121.06509	5.2
122.06011	7.9
125.05979	5.1
126.05521	5.3
127.03918	16.3
130.06546	10.3
136.07593	16.7
140.07077	49.5
143.11792	9.4
145.04948	9.6
150.09120	4.0
152.07083	15.2
154.08676	6.5
157.13319	8.7
164.07079	18.7
171.11295	10.8
178.04968	5.5
178.08635	18.6
182.08139	100.0
185.18770	3.0
206.08162	39.1
214.07135	5.3
218.08089	3.4
248.09216	8.4
283.20624	3.8
285.12433	4.8
294.57959	3.7
302.11047	7.2
302.15735	9.6
303.05045	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	300.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82018	0.4
51.76146	0.3
53.03952	1.8
55.01888	0.4
56.96559	1.6
60.04528	0.9
69.03429	1.2
70.06600	2.5
71.49887	0.4
80.05034	0.5
81.03429	0.8
82.06585	13.4
82.07082	0.7
83.06908	1.3
84.04482	0.5
84.08160	3.0
84.96051	0.5
85.02914	4.1
86.06059	0.4
88.04036	0.4
91.05487	4.1
92.05021	1.2
93.05805	0.5
93.07050	9.6
94.06577	1.7
95.04958	1.2
96.04538	0.4
97.02896	0.8
98.97573	0.8
100.29926	0.4
102.05551	0.8
103.05472	5.9
105.04532	0.8
109.02887	0.8
110.06040	1.0
110.07170	1.0
110.97566	0.6
112.99179	0.6
115.28362	0.4
119.01962	0.5
120.06601	2.1
121.06512	100.0
121.81260	0.4
122.06853	1.0
127.03929	0.5
128.07092	0.6
128.98666	0.4
130.68077	0.3
131.00165	0.5
137.05975	0.9
138.05513	66.6
138.09097	4.5
141.10223	0.8
144.06654	0.6
150.09189	0.7
153.01781	0.6
154.01820	0.6
162.07646	1.1
172.02864	1.3
172.04517	0.7
173.01303	0.7
180.08704	5.4
180.10167	0.5
186.06070	0.4
187.10875	1.6
188.02301	0.9
190.03902	1.6
191.02367	0.5
195.00891	0.5
202.03938	0.5
202.58321	1.3
203.06271	0.9
203.08194	1.1
208.04845	0.8
211.58864	1.0
212.13983	1.1
226.90746	0.4
240.01837	0.8
240.12379	1.1
254.04643	0.6
256.10004	0.6
258.08481	0.6
264.12430	0.9
269.05219	0.7
282.13382	13.4
282.16608	0.6
286.02451	0.5
286.06281	0.4
295.03210	0.5
295.10452	0.6
300.05276	1.1
300.10794	24.7
300.14456	11.3
318.10544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
60.04526	3.8
69.66370	1.4
69.91763	0.3
70.06580	0.4
77.03921	0.7
82.06582	0.5
84.04514	0.7
88.04027	0.8
91.05482	6.9
92.71587	0.3
93.07043	12.7
95.04980	1.8
98.21412	0.7
102.05540	3.2
103.03951	0.5
103.05470	8.8
105.04535	0.7
120.06587	5.7
121.06506	100.0
122.06860	0.6
124.03948	1.3
126.05493	0.4
148.06094	0.5
148.07571	0.3
161.05374	0.3
162.07642	1.5
180.08682	19.6
180.10097	0.9
240.12279	5.9
282.13367	1.1
300.14410	35.8
301.14886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1809
Annotation	Intermedine
Peak:m/z	Relative Intensity
53.03952	3.5
55.05508	9.0
67.05514	28.8
69.03463	4.6
69.07069	14.9
71.04993	3.3
71.30045	3.1
71.50789	4.1
72.08148	5.5
79.05509	17.0
81.07063	75.5
83.04988	4.4
83.08631	4.8
85.06551	7.1
90.05564	100.0
91.05480	24.0
93.07052	21.0
95.08617	21.3
97.06525	6.2
105.07037	35.6
107.04962	7.2
107.08600	15.2
109.06538	5.6
119.08573	27.7
121.06520	11.9
121.10145	23.8
123.08134	3.8
123.11734	26.3
131.08557	5.7
133.10126	7.7
133.29883	3.8
137.09631	5.1
146.66550	3.7
147.11703	51.0
148.79405	3.2
153.01851	19.5
154.02164	18.8
157.10089	4.1
165.12766	23.6
183.13826	4.8
188.28206	3.5
198.70424	3.6
211.42813	3.4
212.16528	6.5
219.13843	7.9
229.14383	11.8
236.16487	43.9
254.17554	60.4
254.19971	6.3
264.16074	4.4
282.17017	25.3
285.07620	5.9
300.06241	7.0
300.09641	14.4
300.16327	5.4
300.20209	9.4
301.07047	13.4
301.21616	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	301.0709
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
52.18262	0.2
53.53494	0.2
55.01876	0.3
55.05502	0.9
57.03435	0.5
59.04990	0.3
67.05511	1.7
68.08718	0.3
69.03422	0.5
69.07070	1.2
70.06566	0.3
70.64963	0.7
71.04985	1.0
77.03943	0.2
79.05487	1.4
81.06652	0.2
81.07060	2.6
83.04972	0.6
83.08611	0.4
91.05475	1.3
93.07037	2.1
95.04975	0.5
95.08607	1.8
97.02903	0.3
97.06520	0.4
97.10168	0.4
102.44042	0.2
105.07030	2.9
107.04935	0.3
107.08598	2.0
107.83253	0.2
109.06522	0.5
109.10153	1.7
111.04447	0.3
117.06987	0.6
119.08603	1.6
121.06504	0.8
121.10155	1.2
123.08050	0.2
123.11685	0.4
125.05999	0.2
125.09614	0.3
127.11212	0.4
129.07010	0.4
131.08588	1.2
133.10156	1.6
135.04453	0.2
135.08064	0.3
135.11699	0.8
137.06105	0.3
137.09618	0.4
139.03966	0.3
139.11203	0.2
143.08542	0.7
143.29597	0.2
144.09319	0.3
145.10117	2.2
147.11705	0.9
149.06024	0.3
149.09634	0.4
151.07518	0.2
151.11174	0.3
153.01831	1.7
153.07027	0.4
155.10707	0.3
157.10115	0.9
159.11697	1.7
161.05981	0.3
161.09616	0.7
161.13248	0.3
163.03873	0.3
163.11118	0.4
163.14911	0.2
165.07016	0.3
165.09132	0.4
171.11711	0.6
173.09578	0.3
173.13280	0.9
175.11142	0.3
175.14915	0.3
177.12712	0.2
181.06516	0.3
183.11740	0.4
185.13300	0.7
187.14821	0.6
191.14294	0.5
197.13301	0.3
199.14853	0.6
201.16467	0.4
203.14366	0.4
205.04951	0.4
213.05417	0.3
213.16351	0.3
215.14250	0.3
226.06377	0.3
229.04988	2.2
231.17499	0.3
241.08676	0.6
255.21266	0.4
257.04520	0.8
257.20883	0.2
258.05252	45.7
259.05801	0.5
269.08234	0.4
281.08618	0.3
283.17551	0.3
283.20596	1.5
285.03970	0.3
286.04730	59.4
287.05118	0.9
301.07077	100.0
301.21518	5.5
302.07376	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01872	5.3
55.05515	13.2
57.03437	17.5
57.07057	1.9
65.03937	1.7
67.05508	42.3
69.03414	5.3
69.07063	16.7
69.85622	6.2
71.04992	6.7
79.05499	22.0
81.03429	3.2
81.07061	100.0
83.04988	9.9
83.08616	7.4
84.96094	1.3
85.02888	2.0
85.06542	9.6
91.05488	39.8
93.07045	24.5
95.04953	5.8
95.08064	2.3
95.08615	29.1
97.02894	1.4
97.06536	12.5
97.10184	2.3
99.08068	5.7
99.72322	1.4
101.06013	1.6
103.05463	1.5
105.07038	38.9
107.04922	4.3
107.08603	14.6
109.06504	6.3
109.10135	5.0
111.04460	3.9
111.08069	1.9
113.05992	2.7
117.07035	3.2
119.08582	32.8
121.06473	5.9
121.10153	23.9
123.08037	5.4
123.11711	24.6
125.06016	2.1
127.07484	1.6
129.07019	7.0
131.08574	8.3
133.06480	1.4
133.10136	16.7
135.07979	1.7
137.02382	2.3
137.05966	2.3
137.09648	2.0
137.13232	3.9
141.09093	2.2
142.07782	2.1
143.03427	2.8
143.08556	2.2
145.10091	5.4
147.08051	2.8
147.11693	82.4
149.05927	1.9
149.09575	3.8
153.01840	43.1
153.02936	2.4
157.10139	10.7
159.07990	1.6
159.11681	3.6
161.09624	3.0
161.13171	2.2
165.12764	53.2
169.10149	1.5
171.11676	3.9
175.11192	11.2
175.15038	1.4
179.14249	1.8
183.11752	1.7
183.13805	1.5
185.13205	1.7
189.08969	1.8
189.12715	2.4
193.12260	9.7
197.13496	2.4
197.15355	7.5
199.14685	1.6
213.12738	3.4
225.14702	2.1
229.14282	2.0
243.15936	6.0
253.19662	2.1
269.04483	1.5
281.18774	2.1
299.05576	6.5
299.09219	8.5
299.12854	2.5
299.18625	28.9
303.72266	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2008
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03953	4.1
55.01864	2.7
55.05503	7.3
57.03424	4.5
57.07077	3.5
66.04675	1.7
67.05500	16.3
69.03425	5.4
69.07072	11.9
71.05008	2.4
71.51038	2.1
72.08154	2.0
79.05499	13.4
81.03397	3.2
81.07060	18.3
83.04977	7.4
83.08618	2.1
85.02897	3.4
85.06567	3.1
87.57603	1.8
91.05483	21.2
93.06484	3.0
93.07047	38.1
95.04961	7.0
95.08619	29.7
97.02874	3.2
97.06522	3.1
99.08072	2.0
103.05458	4.7
105.07037	24.8
107.04952	31.9
107.08593	23.5
109.02872	2.3
109.06495	7.6
109.10162	31.7
111.04417	4.6
111.08076	3.5
111.11737	2.8
115.05446	3.4
116.06274	2.1
117.07014	8.7
119.08586	26.8
121.06506	27.2
121.10152	43.8
123.04441	2.2
123.08073	4.6
123.11691	9.1
125.02327	2.4
128.06247	2.7
129.06964	6.3
130.07773	2.4
131.04926	3.9
131.08557	13.1
133.06471	7.4
133.10135	18.6
135.08057	17.3
135.11681	8.7
137.05971	4.7
137.09601	6.0
137.13232	7.3
141.06981	3.0
143.03389	5.4
143.08571	8.6
145.06488	10.3
145.10152	18.5
147.08060	9.1
147.11699	8.7
149.09618	8.4
149.13177	2.7
153.00572	3.1
153.01837	62.1
153.02914	3.2
155.08539	3.8
156.09320	3.3
157.06509	1.9
157.10136	11.4
159.08031	6.2
159.11703	19.0
160.12392	4.3
161.05911	2.2
161.09624	10.5
161.13229	4.6
163.07568	17.1
163.11137	3.0
165.12802	2.0
167.08633	2.8
169.10120	5.9
171.08060	5.0
171.11703	7.5
173.09622	10.9
173.13239	10.5
175.07513	6.8
175.11166	6.1
177.09070	4.0
179.08659	2.2
181.06274	2.2
181.10121	4.3
183.11710	6.3
185.09555	2.8
185.13187	4.5
187.11098	2.8
189.09119	4.0
189.12740	3.6
191.14365	2.7
193.04996	4.2
193.10086	3.2
195.11600	3.0
197.13251	6.2
199.11186	3.0
199.14804	9.2
203.10747	1.9
208.12465	2.5
209.13278	5.2
215.10692	3.8
215.14297	2.2
223.14778	12.3
224.15654	3.7
225.12787	4.5
239.14395	2.9
239.17972	7.6
241.16058	3.7
253.19551	2.6
257.04413	1.9
274.25714	1.9
281.19003	13.5
299.05820	3.9
299.09219	16.5
299.20071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41041	1.3
53.03946	6.1
55.01871	3.0
55.05514	15.8
57.03438	18.8
57.07080	1.8
59.04988	2.5
65.03934	2.5
67.05509	43.0
69.03440	8.9
69.07073	15.1
71.01372	2.0
71.05011	9.0
71.50320	1.7
75.04472	1.9
78.74464	1.4
79.01864	2.1
79.05067	2.7
79.05499	38.5
81.03429	4.0
81.07062	100.0
83.04983	12.5
83.08635	8.5
83.20876	1.4
85.02908	6.0
85.06557	8.2
88.37788	1.4
91.04916	2.1
91.05486	49.2
93.07050	82.5
95.04978	11.6
95.08617	28.1
97.02902	9.1
97.06535	11.9
99.08106	5.8
105.07043	50.3
106.56242	1.3
107.04961	15.7
107.08604	22.5
109.06518	9.7
109.10155	5.4
111.04443	5.2
111.08118	7.3
115.07584	1.9
116.64169	1.4
117.07037	3.4
119.08585	36.7
121.06509	8.2
121.10151	74.2
123.04450	2.9
123.08096	5.7
123.11726	22.2
125.02357	1.6
125.05959	1.5
127.07564	1.8
129.07030	8.8
131.08588	12.6
133.06561	2.8
133.07561	2.1
133.10158	15.4
135.08038	1.8
135.11679	1.6
137.06006	5.6
137.09648	3.7
137.13278	4.3
139.03912	4.1
139.11224	2.6
141.05455	2.2
141.09151	1.7
142.07784	2.4
143.03430	2.7
143.08574	3.1
145.06534	2.9
145.10143	6.5
147.04367	2.0
147.08069	5.2
147.11696	83.9
149.06010	2.7
149.09631	17.8
151.11183	1.7
153.01839	45.0
153.02882	2.4
157.10141	9.8
159.08098	4.8
161.09695	3.1
165.12772	50.9
169.05103	2.2
171.11688	4.3
173.13202	1.6
175.11185	12.4
177.09155	2.6
183.08159	1.6
193.05000	5.0
193.12292	11.3
197.13643	1.9
197.15399	6.4
199.11241	1.7
213.12689	8.2
243.15826	2.1
245.11737	2.3
253.19228	1.9
267.15787	2.3
278.94281	1.5
281.06644	1.7
281.14008	2.2
299.06134	2.5
299.09256	10.7
299.15131	3.1
299.18344	25.7
299.23279	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41041	1.3
53.03946	6.1
55.01871	3.0
55.05514	15.8
57.03438	18.8
57.07080	1.8
59.04988	2.5
65.03934	2.5
67.05509	43.0
69.03440	8.9
69.07073	15.1
71.01372	2.0
71.05011	9.0
71.50320	1.7
75.04472	1.9
78.74464	1.4
79.01864	2.1
79.05067	2.7
79.05499	38.5
81.03429	4.0
81.07062	100.0
83.04983	12.5
83.08635	8.5
83.20876	1.4
85.02908	6.0
85.06557	8.2
88.37788	1.4
91.04916	2.1
91.05486	49.2
93.07050	82.5
95.04978	11.6
95.08617	28.1
97.02902	9.1
97.06535	11.9
99.08106	5.8
105.07043	50.3
106.56242	1.3
107.04961	15.7
107.08604	22.5
109.06518	9.7
109.10155	5.4
111.04443	5.2
111.08118	7.3
115.07584	1.9
116.64169	1.4
117.07037	3.4
119.08585	36.7
121.06509	8.2
121.10151	74.2
123.04450	2.9
123.08096	5.7
123.11726	22.2
125.02357	1.6
125.05959	1.5
127.07564	1.8
129.07030	8.8
131.08588	12.6
133.06561	2.8
133.07561	2.1
133.10158	15.4
135.08038	1.8
135.11679	1.6
137.06006	5.6
137.09648	3.7
137.13278	4.3
139.03912	4.1
139.11224	2.6
141.05455	2.2
141.09151	1.7
142.07784	2.4
143.03430	2.7
143.08574	3.1
145.06534	2.9
145.10143	6.5
147.04367	2.0
147.08069	5.2
147.11696	83.9
149.06010	2.7
149.09631	17.8
151.11183	1.7
153.01839	45.0
153.02882	2.4
157.10141	9.8
159.08098	4.8
161.09695	3.1
165.12772	50.9
169.05103	2.2
171.11688	4.3
173.13202	1.6
175.11185	12.4
177.09155	2.6
183.08159	1.6
193.05000	5.0
193.12292	11.3
197.13643	1.9
197.15399	6.4
199.11241	1.7
213.12689	8.2
243.15826	2.1
245.11737	2.3
253.19228	1.9
267.15787	2.3
278.94281	1.5
281.06644	1.7
281.14008	2.2
299.06134	2.5
299.09256	10.7
299.15131	3.1
299.18344	25.7
299.23279	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.01877	1.8
55.05511	2.7
57.03439	2.8
58.43319	1.1
65.03953	1.6
67.05513	5.1
67.28715	1.1
69.03423	5.7
69.34071	6.6
69.34496	4.2
71.04976	1.8
75.04453	3.5
78.06812	1.2
79.05503	13.0
81.03421	2.1
81.07064	5.9
85.02922	6.1
91.05489	19.7
93.07047	100.0
95.04974	5.4
95.08620	10.1
97.02895	11.5
97.06551	1.6
103.05470	1.9
105.04523	1.5
105.07029	10.3
107.08594	10.1
109.06521	1.8
109.10175	2.2
111.04484	2.0
111.08070	4.8
115.03941	1.6
119.08564	6.4
121.06492	5.3
121.10152	87.1
123.04458	3.2
123.08064	2.7
125.05987	1.4
129.07008	2.6
131.08571	7.6
133.10129	1.8
135.08047	2.3
137.05984	4.9
137.09622	3.5
139.03894	3.7
139.11172	2.4
141.05461	2.7
145.10135	2.3
147.08041	2.7
149.05998	3.5
149.09625	18.4
153.01849	2.4
154.37083	1.3
159.08054	2.6
161.09648	2.4
167.10739	1.6
169.04984	1.5
177.09132	6.5
187.11069	2.0
199.11255	1.6
215.10580	1.5
227.10698	1.8
281.13885	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09129	0.9
53.03937	4.1
55.01864	3.0
55.05272	1.2
55.05516	12.5
57.03439	18.0
65.03920	1.9
66.07323	0.8
67.05507	34.0
69.03435	5.9
69.07068	10.6
70.65796	1.0
70.69994	1.8
70.70361	1.9
71.01358	1.0
71.04983	6.2
71.76204	1.0
73.06560	1.0
75.04482	2.6
77.03937	1.3
77.71538	0.8
79.05499	30.3
81.03426	2.0
81.07059	81.9
81.65240	0.8
83.04990	6.1
83.08618	5.3
83.69885	0.8
85.02914	4.3
85.06556	6.4
89.94994	0.8
91.05484	43.9
93.03392	1.4
93.07048	100.0
93.40556	1.0
94.07371	1.4
95.04988	10.3
95.05567	1.4
95.08607	24.7
97.02896	10.6
97.06536	11.6
99.08121	4.9
103.05413	1.5
105.04493	2.0
105.07034	43.6
107.04971	2.6
107.08593	17.7
109.06522	6.9
109.10125	3.0
111.04435	2.7
111.08094	5.9
112.46294	0.9
113.05975	1.6
115.03918	2.5
115.05405	1.0
115.07569	1.2
116.06233	1.4
117.07033	1.6
119.08587	33.0
121.06535	6.7
121.10151	95.9
123.04409	3.2
123.08072	6.4
123.11720	15.5
125.05987	1.3
127.07542	1.1
129.07031	5.3
131.08578	11.6
133.06529	1.2
133.10150	12.2
135.08025	1.8
137.05980	3.3
137.08679	1.2
137.09608	5.1
137.13243	3.2
139.03918	1.8
139.11192	2.6
141.05493	2.3
141.07031	0.9
142.07779	2.1
143.08569	1.0
145.06494	1.4
145.10127	3.3
147.07997	2.8
147.11697	70.0
149.05919	1.6
149.09627	23.4
151.11191	1.0
153.01805	3.9
157.10121	7.8
159.08113	4.3
159.11713	1.1
161.09654	1.7
165.12762	43.3
167.07059	1.7
175.11217	7.9
177.09097	6.3
183.13853	1.3
193.12231	10.9
197.15346	5.6
199.11214	1.3
203.10590	1.2
204.58620	0.9
218.86255	0.9
225.14873	1.9
227.10664	1.2
243.15887	1.8
245.11775	1.9
267.15979	1.5
281.13818	1.7
299.14874	2.3
299.18414	22.4
309.68085	1.1
316.92636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18494	0.9
53.03951	3.8
55.01876	2.1
55.05503	4.2
57.03440	2.0
59.29737	0.9
64.09581	0.9
67.05498	6.4
69.03432	5.8
70.70116	1.7
70.70461	1.1
71.01363	1.8
71.04983	1.2
75.04491	1.7
77.03918	1.4
79.05493	12.9
81.03448	1.6
81.07063	10.3
83.04958	1.7
85.02907	3.9
90.18127	1.0
91.05486	17.2
93.03394	2.5
93.07045	100.0
95.04984	5.7
95.08607	8.4
97.02899	11.3
97.06532	1.9
98.20882	1.0
102.56424	0.9
103.05449	1.5
105.04536	1.5
105.07039	12.5
107.04937	1.0
107.08587	8.5
107.72428	1.1
109.06511	1.4
109.10143	2.5
111.04433	1.1
111.08086	4.6
115.03947	1.7
115.05461	0.9
117.07026	1.1
119.08589	5.6
121.06525	3.8
121.10146	92.5
123.04533	1.7
123.08096	2.8
123.11671	1.6
125.06009	1.7
129.07016	2.0
131.08569	7.9
133.10147	1.6
135.08023	1.7
135.66394	0.9
137.05988	2.9
137.09619	3.1
139.03906	3.9
139.11182	2.9
141.05472	3.4
143.08551	1.6
145.06459	1.1
145.10172	2.6
147.08035	2.0
147.11682	3.0
149.06035	1.2
149.08449	1.2
149.09630	24.1
153.01833	1.8
157.10187	1.6
159.08064	2.6
159.11742	1.1
161.09621	1.2
165.12787	2.5
167.07098	1.7
167.10744	1.1
173.09581	0.9
177.09111	7.3
187.11201	1.7
189.09111	0.9
199.11273	2.0
205.12306	1.6
215.10655	1.5
245.11768	1.6
281.13882	2.9
299.14944	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	299.0915
Annotation	Alfalone
Peak:m/z	Relative Intensity
53.03940	0.7
67.01866	0.4
68.99821	0.3
71.05058	0.4
71.05379	0.4
77.03954	0.4
79.01871	0.7
79.05504	1.4
89.64103	0.2
95.04967	0.8
97.02879	0.4
105.04453	0.3
107.04962	100.0
108.05311	0.5
125.02367	0.4
125.06045	0.3
138.07394	0.2
143.03430	0.9
147.04347	0.3
151.03938	0.3
153.01843	13.4
153.02919	0.9
156.18788	0.3
192.04129	1.5
193.04977	34.3
194.05388	0.5
207.02910	0.3
211.06889	0.2
299.09155	57.1
300.09448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01870	1.4
55.05518	2.5
57.03439	2.3
67.05509	5.3
69.03436	5.9
70.90048	2.0
70.90403	2.5
71.01357	1.4
71.04969	1.5
75.04463	1.9
79.05499	13.0
81.03416	1.7
81.07053	5.1
85.02900	6.9
91.05492	16.9
93.03407	2.3
93.07050	96.9
95.04980	6.2
95.08616	9.6
97.02900	13.4
97.06532	2.6
99.41984	1.1
103.05500	1.1
105.04523	1.1
105.07040	11.4
107.08617	9.0
109.06543	2.5
109.10165	2.2
111.04462	1.6
111.08085	4.4
115.03950	1.5
116.06258	2.0
119.08560	4.9
121.06498	4.6
121.10151	100.0
123.04428	2.6
123.08086	3.9
131.08557	8.7
133.10156	1.9
135.08064	2.4
137.06004	4.3
137.09621	4.0
139.03865	2.7
139.11203	2.7
141.05452	2.9
145.06377	1.1
145.10133	2.6
147.08076	4.2
149.06013	1.7
149.09630	24.5
153.01840	1.5
159.07994	1.4
159.11800	1.4
161.09639	2.6
167.06985	1.5
167.10692	1.8
169.05032	1.8
175.07591	1.3
175.11113	1.4
177.09154	7.3
187.11087	1.8
199.11200	1.6
203.10669	1.7
205.12241	1.2
215.10764	1.6
245.11807	1.8
281.13876	2.5
299.14856	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87066	0.6
69.35069	4.8
69.35486	1.2
79.01859	4.9
83.04976	2.5
91.41719	0.6
98.20721	1.1
107.01357	1.0
111.04441	4.0
125.02350	3.8
143.03412	6.0
153.01840	100.0
153.02922	6.3
154.02141	1.1
166.59962	0.7
171.55696	0.7
174.86269	0.6
179.03415	1.2
181.01263	0.6
201.05518	1.5
207.02835	3.5
219.06613	2.3
221.04396	1.2
223.02412	0.9
237.03995	0.8
278.95993	0.6
281.06610	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	299.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77632	0.5
54.30267	0.5
60.61165	0.5
65.24810	0.5
67.05472	0.5
68.19427	0.5
69.03453	0.6
69.94538	0.6
70.54909	1.2
70.55244	0.9
76.07057	0.5
79.01852	4.9
83.04988	1.9
83.53756	0.5
85.02866	0.5
97.02908	1.1
107.01313	1.1
107.04966	2.3
111.04448	4.1
125.02357	3.5
129.44092	0.5
143.03419	5.5
153.01837	100.0
153.02908	6.1
154.02159	0.6
179.03444	1.3
181.01312	1.5
193.05009	1.5
201.05450	1.2
207.02928	3.7
207.73367	0.5
212.35429	0.4
219.06522	2.7
221.04536	0.9
223.02444	1.3
263.05609	1.1
276.96829	0.5
281.06628	3.4
299.09164	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30835	0.2
51.02370	0.4
55.05497	0.6
67.05495	0.4
69.03423	0.7
69.97038	1.1
71.97003	0.2
74.72898	0.2
79.01862	4.3
83.04980	2.2
85.02880	0.5
91.58992	0.2
93.07029	0.2
97.02884	1.3
107.01334	0.7
107.04962	0.6
111.04448	3.9
117.22543	0.2
118.45576	0.2
125.02336	3.1
129.05495	0.6
129.89313	0.2
143.03404	5.8
143.04524	0.3
153.01840	100.0
153.02902	6.0
154.02191	0.9
161.34515	0.3
179.03412	1.2
179.77423	0.2
181.01309	1.1
191.06961	0.2
201.05522	1.0
207.02892	4.5
207.06139	0.2
209.04576	0.5
219.06554	2.3
221.04543	0.8
223.02396	1.0
235.06052	0.6
237.03976	1.0
245.04488	0.4
256.07523	0.3
263.05588	0.6
281.06577	3.1
299.09131	0.5
299.12537	0.4
299.20148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0914
Annotation	Alfalone
Peak:m/z	Relative Intensity
51.02379	0.4
53.03960	1.5
55.01871	1.1
55.05514	3.4
57.03441	2.6
59.04975	0.4
65.03940	0.5
67.01842	0.3
67.05509	6.8
69.03436	1.7
69.07073	2.4
71.04991	1.0
75.04492	0.5
78.18889	0.4
79.01883	0.5
79.05499	7.5
81.03424	0.8
81.07058	16.5
83.04969	1.6
83.08620	1.6
85.02901	0.9
85.06535	1.0
91.05484	7.9
91.06026	0.6
93.03423	0.4
93.07050	15.9
95.04978	2.7
95.08047	0.5
95.08605	4.7
97.02911	1.9
97.06530	2.2
99.08110	1.0
103.05492	0.4
105.04500	0.8
105.07036	7.4
107.04960	100.0
107.08601	3.2
108.05326	0.4
109.06519	1.3
109.10143	1.1
111.04443	0.7
111.08121	0.8
116.06268	0.5
117.06963	0.5
119.08595	6.7
121.06471	1.6
121.10152	13.5
123.04445	0.4
123.08073	1.2
123.11718	3.5
125.09636	0.4
127.03970	0.4
129.06998	1.1
131.08580	1.9
133.10112	1.7
137.06027	1.1
137.13243	0.5
139.03922	0.8
141.05464	0.6
143.08556	0.9
145.10146	0.9
147.08066	0.5
147.11694	11.3
149.06001	0.8
149.09639	3.6
151.03909	0.4
153.00592	0.5
153.01843	9.9
153.02888	0.5
157.10153	1.5
159.08093	0.9
159.11681	0.5
161.09668	0.9
165.12753	7.5
169.04907	0.5
169.10112	0.5
171.11757	1.0
173.09547	0.3
173.13264	0.5
175.11217	1.1
177.09091	0.9
183.11690	0.4
183.13765	0.3
192.04243	1.0
193.04974	33.9
193.12187	0.7
197.15422	0.5
203.10625	0.5
213.12744	0.7
217.12360	0.4
229.14403	0.6
235.68303	0.4
281.13742	0.5
299.09152	56.0
299.18198	5.1
300.09430	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19897	0.2
56.96548	0.5
57.84264	0.2
69.03412	0.5
69.34714	1.9
70.06592	0.3
78.03455	1.3
80.05022	3.2
81.03404	0.3
84.08151	0.4
85.02916	0.5
96.04499	2.0
97.02869	0.5
98.21519	0.4
98.97576	1.1
110.06149	0.2
110.07157	0.5
111.04488	0.3
118.06527	0.5
119.01927	0.4
121.06532	0.8
124.03957	100.0
125.04296	0.8
127.03882	0.3
136.06172	3.3
136.07314	0.3
136.07622	0.3
137.06003	0.6
153.01836	2.8
154.02147	0.3
155.41844	0.2
166.07285	1.1
193.10802	0.4
208.28499	0.2
216.04214	0.4
239.11320	0.6
252.08621	0.4
252.17076	0.3
287.14145	0.2
298.09232	17.9
298.18344	0.7
299.05478	0.3
299.09503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.097
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
51.18942	0.2
57.10105	0.2
58.32583	0.3
61.01160	5.0
70.76041	0.2
70.76357	0.5
72.08162	0.3
75.02717	2.4
76.70502	0.2
81.03398	0.3
85.62521	0.2
87.04465	0.2
94.04077	0.6
97.02887	1.1
103.02133	0.5
109.02876	0.2
119.03573	1.3
121.06516	0.5
124.03953	0.8
136.06198	100.0
136.32877	0.3
137.04599	0.3
137.06656	0.3
143.54144	0.2
145.03149	1.3
153.01830	0.5
154.02220	0.7
154.04953	0.6
163.04272	0.8
168.47366	0.3
261.56128	0.3
298.06412	0.5
298.09613	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	298.1149
Annotation	Nelarabine
Peak:m/z	Relative Intensity
53.03947	0.5
55.01844	0.7
55.05516	4.2
55.79079	0.4
56.05026	0.6
56.96576	2.5
57.03432	0.8
59.05005	0.8
61.02947	0.5
64.43755	0.5
65.49255	0.4
67.02976	0.4
69.03416	1.7
69.07056	0.6
70.06577	2.0
70.13701	1.0
70.14091	1.1
72.08142	1.5
73.02917	0.6
74.02430	0.9
77.10250	0.4
78.03467	0.6
79.05476	0.6
80.05013	1.9
81.03411	1.2
81.07039	0.6
82.06580	11.6
83.05003	0.9
83.06091	0.5
84.08138	1.1
85.02915	1.4
91.05481	1.6
93.07031	0.7
95.05004	0.5
95.06102	2.1
96.04491	1.5
97.02894	1.5
98.97605	2.6
100.07600	1.4
101.06017	1.4
103.05495	0.5
105.03366	1.2
109.02872	1.1
109.05113	0.9
110.03521	0.9
110.97564	0.6
112.07587	0.5
116.07114	0.5
116.98589	0.9
119.04958	0.9
121.06506	4.7
122.06959	0.4
124.03961	36.9
128.04585	0.8
128.07083	13.0
135.03001	1.9
136.03889	0.5
136.05147	0.9
136.06195	13.1
136.07372	0.6
137.05997	2.9
138.08960	0.5
140.07001	0.8
146.08128	1.2
148.08765	0.5
149.04597	8.9
149.05826	0.7
152.05688	15.4
152.06950	0.6
153.01860	5.4
153.03009	0.8
153.04056	3.4
154.02180	1.8
154.04990	0.7
166.07253	100.0
167.05650	6.4
168.07793	0.7
183.08080	0.5
188.55046	0.7
193.10930	2.2
207.08067	1.2
231.06593	0.5
235.07465	1.2
239.11288	2.4
265.06473	0.6
274.97321	0.5
280.05609	0.9
298.06143	0.7
298.09134	8.2
298.12302	0.9
298.17770	2.5
299.05731	1.6
300.06296	1.3
313.87891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.6
53.03939	1.0
55.01870	0.7
56.60823	0.3
61.02930	0.4
66.96901	0.3
68.99777	0.4
69.03433	22.9
70.06570	0.3
70.39844	1.2
72.08159	0.4
79.01857	3.7
81.03429	5.4
85.02886	0.4
91.05473	0.4
95.04944	0.5
96.18567	0.4
97.02895	3.3
99.04462	1.4
100.74792	0.4
103.05455	0.8
107.01331	1.4
107.05033	0.4
109.02892	2.9
119.05009	0.5
121.06501	1.2
125.02357	3.3
127.03928	11.5
131.04958	2.3
133.02872	0.7
135.04372	0.5
139.03944	0.7
143.03395	4.7
143.05028	0.4
147.04428	2.1
149.06035	0.6
149.28203	0.4
151.03896	0.6
153.01837	100.0
153.02887	5.5
153.41357	0.3
159.04413	3.7
161.05984	0.7
163.03896	1.8
165.01808	0.7
171.02870	0.4
175.03932	2.0
177.01845	1.1
177.05443	2.3
179.03432	3.7
179.07083	0.6
181.01350	3.8
183.02849	1.6
187.03891	1.6
191.03342	3.2
193.01404	0.4
193.04965	1.5
195.02902	1.7
197.00844	0.6
205.04973	6.5
207.02872	4.5
207.04504	0.5
209.00801	0.6
209.04443	1.2
211.02362	0.7
215.03427	1.5
217.05074	0.5
219.02885	0.9
221.04494	1.2
223.02469	2.3
223.06050	0.8
231.02663	0.4
233.04472	6.5
235.02455	0.7
237.03955	2.4
249.03947	1.2
251.05460	0.8
261.03976	2.1
267.05109	1.5
279.04849	1.8
297.06024	10.1
297.11423	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.4
51.02388	0.7
53.03949	6.6
55.01883	0.6
65.26133	0.3
69.03435	9.6
69.58284	0.3
71.05001	1.7
71.05415	0.7
71.05777	0.4
72.08164	0.8
79.01862	6.5
81.03423	45.9
84.08119	0.3
85.02914	1.0
97.02901	6.8
99.04455	3.1
105.03409	2.0
107.01325	2.7
109.02892	16.4
121.06542	0.3
125.02358	4.0
127.03927	5.7
138.96269	0.3
143.03406	6.0
153.01843	100.0
153.02911	6.4
154.02130	0.4
159.04382	0.6
167.07068	1.2
170.02242	0.4
171.02893	3.9
175.03995	0.5
181.01314	0.8
205.05026	0.5
207.02928	0.7
209.07030	0.7
231.17961	0.3
233.04483	0.9
233.52188	0.4
280.15482	0.6
297.06061	22.6
297.18134	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96032	0.6
53.03948	1.2
55.01873	0.8
59.05008	0.7
69.03450	0.8
69.07071	0.8
70.06584	0.6
70.10631	2.3
75.04491	5.4
79.05496	3.9
81.03415	1.0
81.07063	0.9
83.92148	0.6
91.05488	1.4
98.06064	2.0
98.20823	0.8
103.05463	2.1
105.07035	27.1
107.08627	0.6
117.05753	1.9
119.08556	1.8
121.06508	1.2
121.54430	0.5
123.08061	2.5
124.07616	1.1
129.06979	0.5
129.26396	0.5
130.06560	1.8
130.08650	3.1
131.07318	17.2
132.08084	15.5
133.07643	2.6
134.09665	1.0
140.11600	0.6
143.07301	0.9
144.08084	2.0
145.08870	7.4
146.09654	100.0
147.10002	0.7
153.01837	3.3
158.09674	10.1
159.10408	1.1
160.07613	5.0
160.11223	33.4
161.08328	1.3
161.11731	0.6
162.09196	0.8
162.12828	0.8
172.07608	1.6
174.09161	0.7
176.03433	0.8
176.07079	0.9
188.10709	7.2
190.12312	3.5
192.10211	14.6
192.13809	3.0
206.11766	1.4
218.11758	6.2
220.13365	2.7
246.11272	2.6
248.12836	2.2
250.14394	8.7
264.12296	2.0
278.13895	23.1
296.13760	0.6
297.06064	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2011
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
51.02375	0.4
52.64625	0.2
53.03949	2.2
55.01871	0.6
57.01432	0.2
64.47968	0.2
69.19217	1.2
69.19649	1.0
76.52985	0.2
77.03904	1.0
79.05464	0.2
81.03409	0.5
90.95322	0.2
91.04905	0.5
91.05482	11.3
93.07045	18.6
95.04989	2.2
103.05470	14.4
105.03281	0.2
105.04513	1.7
107.75951	0.2
118.06537	4.4
121.06506	100.0
122.06848	0.7
132.08087	1.7
133.08897	1.0
134.09637	0.3
142.99219	0.2
146.09647	1.6
147.10385	0.3
153.01804	0.5
154.81253	0.2
156.60471	0.2
160.11177	0.3
176.14348	65.4
177.14676	0.5
296.20096	87.4
297.20483	1.5
308.19373	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2222
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
55.05498	1.8
56.05020	0.6
57.06832	0.6
57.07081	7.2
67.05506	3.0
69.07082	2.3
70.06594	10.4
71.08633	8.2
71.24776	1.2
79.05475	1.5
80.05000	1.1
81.07060	5.6
82.93874	0.4
83.08598	0.9
85.09003	0.4
85.10172	3.9
91.05436	0.7
92.05869	0.5
93.07010	1.3
94.06561	1.0
95.08617	6.1
96.04496	0.5
96.07568	0.7
96.08134	9.0
96.10580	0.4
98.06097	0.7
105.06995	0.8
106.06546	5.3
114.05518	0.5
114.09172	3.1
120.08099	1.4
121.06519	0.4
124.07597	3.1
135.11626	0.6
138.09132	0.7
140.07082	0.6
142.08638	37.8
151.91840	0.4
155.14279	0.8
232.20589	2.7
250.19038	1.1
250.21684	25.2
296.22211	100.0
297.22458	1.0
309.18964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.9892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93639	0.4
54.93840	9.4
56.70093	0.3
56.96563	0.5
58.63255	0.3
69.96178	53.2
70.95866	0.4
71.50060	0.5
71.94093	2.4
87.97211	1.5
98.97601	2.5
101.00849	0.8
113.95104	2.7
116.98664	1.7
119.01926	2.2
123.34132	0.3
131.96152	32.2
134.99680	0.5
138.89854	0.3
147.86417	0.3
149.97208	21.4
167.98300	1.0
171.94185	0.7
177.00970	1.0
178.01048	0.8
189.95201	5.5
196.94984	0.5
197.00635	0.4
205.94690	1.3
207.96259	13.9
208.96043	0.6
213.95264	0.9
219.02000	1.4
220.02139	4.0
221.01794	0.9
224.95514	0.5
231.96257	12.4
232.96198	0.7
246.95023	0.9
249.97318	38.7
250.97197	1.3
255.96146	4.6
261.03055	1.2
264.95880	0.5
266.32318	0.3
269.03644	0.4
273.97299	60.1
274.97278	4.1
279.07639	0.5
291.98358	100.0
292.98438	3.1
293.98935	0.5
296.98877	0.9
297.08652	0.8
299.06357	0.7
314.99869	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
53.70322	0.5
55.01881	0.5
55.05516	10.9
57.03446	0.7
57.07079	2.7
57.07306	0.4
59.05002	1.8
65.03932	0.7
67.05507	6.4
69.03446	2.2
69.07072	100.0
69.48277	0.4
69.81516	2.4
70.02968	0.4
70.06599	1.0
70.07404	0.7
71.04993	1.4
71.08630	0.7
72.08154	1.1
73.06559	0.9
79.05502	2.8
81.03435	3.0
81.07063	11.9
81.07526	0.7
83.04994	1.1
83.08630	5.0
85.02920	0.6
85.06544	1.3
85.10197	0.8
88.03998	1.3
91.05500	2.8
93.07048	5.5
94.06599	1.0
95.04986	1.0
95.08612	9.7
97.02881	0.6
97.06535	3.9
97.10195	1.9
99.08103	1.1
105.07031	2.4
107.08611	4.1
108.08944	0.7
109.02921	1.5
109.06543	1.3
109.10162	7.5
109.10840	0.6
111.08104	0.9
111.11728	28.5
117.07135	0.4
119.04949	4.8
119.08550	2.1
121.06528	0.9
121.10150	6.6
123.08114	0.8
123.11704	3.3
125.06005	0.5
125.09662	1.7
129.12766	2.8
131.08588	0.4
133.06525	0.9
133.10188	1.3
135.11697	2.7
137.09645	0.8
137.13330	1.4
139.07588	0.5
139.11191	22.7
145.06516	0.4
145.10179	0.5
146.06013	3.4
147.04417	14.4
147.11687	0.8
149.07474	1.4
149.13300	1.4
150.13626	0.5
151.03914	5.0
151.07620	0.5
151.11224	0.7
153.12843	1.3
154.04997	1.0
157.12260	2.9
159.11720	0.5
161.09679	0.6
161.13254	0.8
163.07565	0.5
163.14867	0.7
171.08229	0.5
174.04121	0.6
174.05602	1.2
177.16554	0.5
180.59119	0.4
197.13493	0.8
202.03551	0.7
207.06537	1.3
218.08247	0.6
249.12468	1.0
271.61014	0.4
277.22040	0.8
277.25412	2.0
295.10037	1.1
295.16748	0.9
295.21066	0.6
295.26297	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01862	1.2
56.05040	1.5
56.11918	1.0
56.96550	1.3
69.03426	1.6
70.02956	3.7
70.06570	2.1
71.49979	1.5
72.04504	2.6
72.08141	3.5
73.02898	3.1
79.05489	3.3
81.03413	8.0
84.08134	3.0
86.09695	3.4
87.00830	4.7
87.04468	6.6
89.02396	52.5
91.05482	19.4
92.05809	1.3
93.07047	2.4
97.02874	1.4
100.03969	4.3
101.04753	5.1
103.05459	15.3
105.03395	5.7
105.06392	1.6
105.07027	13.4
107.04943	5.5
109.02900	3.1
110.07179	1.5
113.02363	4.6
115.05450	2.2
117.05767	4.1
117.07037	13.3
117.64453	1.1
118.06545	5.8
119.04950	2.9
119.07308	2.1
119.08587	2.0
119.47530	1.2
120.04478	1.2
120.05255	2.1
120.08110	15.7
121.06489	2.2
122.06039	1.2
125.02364	1.2
128.06215	2.1
129.07025	10.7
130.06526	1.3
131.03412	41.7
131.04892	9.9
131.07312	3.7
137.05975	2.0
138.05539	1.6
144.07980	1.5
146.09653	70.8
147.04375	2.5
148.04764	3.3
149.05943	1.3
150.59052	1.2
152.07039	1.6
153.01837	15.7
163.03946	1.5
164.07040	2.7
164.10718	36.4
166.08629	4.2
174.09180	4.3
175.03903	3.6
176.04266	6.7
192.10194	100.0
193.10585	1.6
207.06516	4.3
208.06876	12.0
208.14439	1.8
210.11259	7.2
232.09644	1.6
233.09464	1.3
250.10754	42.6
278.10217	2.6
296.07932	1.9
296.11270	31.9
296.16687	3.3
297.06049	2.9
297.10208	1.1
308.06674	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2633
Annotation	METHYL LINOLEATE
Peak:m/z	Relative Intensity
53.03946	0.8
55.05515	12.7
57.03429	0.9
57.07080	4.1
59.05000	2.0
67.05510	8.9
69.03431	2.0
69.07071	100.0
69.67146	2.8
70.07369	0.7
71.04998	1.3
71.08633	1.0
72.08164	1.0
73.02448	0.5
79.05506	4.4
81.03419	1.7
81.07062	19.7
82.07466	0.5
83.04991	0.7
83.08623	6.7
85.06544	2.1
85.10192	0.8
88.03991	0.9
91.05489	2.0
93.07050	6.4
94.06588	0.5
94.19186	0.5
95.04995	1.1
95.08612	12.6
95.09178	1.0
97.06533	3.1
97.10167	2.7
99.08108	1.6
105.07021	2.8
107.08597	5.6
109.02911	1.0
109.06509	2.5
109.10161	15.7
111.08095	1.4
111.11723	29.8
119.08595	1.8
121.10144	7.1
123.08068	1.6
123.11700	5.3
125.09676	1.8
125.13286	0.6
127.11211	0.6
129.12766	2.3
133.10124	1.7
135.11713	1.8
137.09622	1.4
137.13269	1.5
139.11191	22.8
146.06047	2.1
147.11797	1.1
149.13283	2.6
151.03920	2.3
151.05026	0.7
153.12755	0.8
157.12236	3.0
161.13278	0.7
165.12729	0.7
165.16463	0.8
174.05568	0.6
175.14960	0.7
179.82219	0.5
193.15912	1.1
207.06589	0.6
259.24167	0.7
263.28024	0.6
273.48685	0.6
277.25317	4.0
295.08270	0.6
295.26340	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03931	7.5
55.01624	4.1
55.01873	45.2
55.05275	3.6
55.05516	56.4
57.03415	4.4
57.06834	2.8
57.07082	27.5
65.03941	2.8
67.05505	87.9
69.03416	6.7
69.06733	3.2
69.07070	45.1
69.21839	7.8
69.22254	19.8
71.04976	7.0
71.08633	29.5
73.06548	4.0
75.60833	2.7
79.05496	45.0
81.03410	16.2
81.06597	5.5
81.07059	100.0
83.04993	19.2
83.08621	39.5
85.06522	11.6
85.06989	2.8
85.10168	11.7
87.73872	2.5
91.05489	47.4
93.07050	53.6
94.06571	6.7
95.04991	19.9
95.08611	55.5
97.06528	18.3
97.10165	15.8
98.21515	5.4
99.08097	22.4
99.24527	2.8
105.07037	38.9
106.73359	2.6
107.04955	7.3
107.08603	40.5
109.06502	12.1
109.10172	32.3
111.08083	48.0
113.09645	11.5
117.06995	7.3
119.08588	21.1
120.39085	2.4
121.06493	4.9
121.10155	27.6
123.08049	10.7
123.11727	15.7
123.49610	2.6
125.09664	12.9
129.06984	6.1
131.08551	10.1
133.10143	26.2
135.11693	23.5
137.09581	8.2
137.13263	4.8
139.07484	3.1
139.11188	9.0
143.08591	6.0
145.02888	3.1
145.10126	10.3
146.06032	8.7
147.11679	26.0
149.02351	75.0
149.09641	10.5
149.13258	16.6
151.11198	24.6
153.12703	2.9
157.10138	6.6
159.11719	4.4
161.13254	17.6
163.03954	13.1
163.11180	14.3
165.12781	26.7
171.11708	6.5
175.04027	2.5
175.11256	5.7
175.14763	7.6
177.16417	3.3
179.14343	14.7
185.13237	4.6
189.12743	3.4
193.15703	2.7
207.13837	4.4
213.16364	3.0
217.12227	2.5
221.15366	4.4
231.21130	6.7
231.84784	2.7
241.19569	7.8
249.22148	7.1
259.20541	15.3
277.21661	98.1
295.16687	2.8
295.19711	4.8
295.22736	59.4
318.19244	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03951	4.9
55.01880	25.2
55.05519	42.4
55.97198	3.4
57.03444	24.5
57.07064	12.8
59.25976	3.5
67.05182	5.7
67.05506	68.5
69.03446	3.4
69.07072	25.4
71.04977	6.0
71.08625	13.1
79.05074	5.3
79.05496	53.1
81.03412	7.0
81.07061	100.0
83.04964	10.3
83.08639	30.4
85.06544	5.7
85.10194	8.7
88.26610	3.5
91.05483	39.3
93.07055	49.7
95.04967	12.4
95.08055	6.2
95.08611	67.3
97.06518	12.5
97.10174	16.6
98.20960	21.8
99.08081	10.6
99.93794	3.1
105.07055	30.9
107.08595	36.8
109.06525	5.7
109.10155	26.8
111.08078	27.6
113.09628	9.0
117.07037	7.9
119.08585	18.8
121.10156	37.0
121.90853	3.5
123.08084	8.2
123.11732	5.9
125.09630	15.3
131.08560	14.0
133.10133	27.6
135.11728	27.0
137.09622	5.6
139.11191	5.9
143.08609	3.9
145.10132	9.1
147.11755	18.7
149.09631	6.7
149.13245	19.2
149.96629	3.6
151.11186	10.9
153.12677	3.7
158.93629	3.6
159.11685	9.3
161.13263	7.8
163.11272	4.8
163.14789	4.4
165.12766	18.4
173.13272	4.5
177.12717	7.5
177.99371	3.3
185.13225	4.3
187.14757	6.6
189.11214	6.9
195.13762	6.2
205.15857	5.3
223.16983	6.4
249.22232	4.8
259.20651	11.4
265.53082	4.0
277.21667	59.1
295.22833	45.2
295.27963	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	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.50315	3.4
53.03952	27.2
55.01874	13.1
55.05519	33.9
57.07068	12.8
59.04994	2.9
60.58578	2.8
61.86909	3.3
64.48435	3.2
67.05506	78.0
69.07075	53.7
71.08636	8.3
79.05503	54.3
81.03425	91.0
81.07063	71.0
82.28306	3.4
83.04982	21.3
83.08621	10.6
85.06568	5.8
85.10172	5.4
91.05479	30.3
93.07053	60.4
95.04971	49.9
95.08607	36.8
97.10172	8.4
98.21368	13.6
99.08071	6.8
105.07040	31.0
107.08600	31.8
109.06531	15.3
109.10165	21.1
111.08089	4.1
113.09652	5.4
117.07037	5.8
119.08590	14.5
121.10155	12.0
123.08138	4.2
123.11719	8.3
125.09660	8.3
129.06970	3.2
131.08591	5.8
133.10130	25.2
135.08052	7.5
135.11714	14.6
137.09592	5.1
147.11664	20.5
149.09558	5.6
149.13277	9.7
151.11201	66.3
152.30782	3.3
153.09091	7.9
157.10266	4.2
159.11729	4.0
161.09673	4.3
161.13263	17.1
163.11229	4.0
163.14839	10.1
165.12750	13.6
171.11691	8.2
175.14832	4.8
179.14214	5.0
185.13298	5.3
189.12897	4.7
207.13753	6.2
217.19592	3.8
231.21141	11.7
241.19595	12.0
245.59645	3.2
249.22122	10.2
253.16002	4.1
259.20581	8.6
277.21646	100.0
295.22958	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.44272	3.3
53.03940	5.8
55.01865	5.9
55.05512	26.4
57.03435	3.4
57.07075	7.9
62.87337	3.0
63.99393	3.6
67.05505	58.4
69.07079	23.6
69.95966	17.8
71.08630	41.8
75.66500	2.8
77.03976	3.3
79.05495	45.3
81.03412	12.5
81.07060	60.3
83.04978	17.4
83.08615	13.6
85.06562	3.6
91.05488	36.2
93.07046	70.5
95.04958	8.9
95.08606	45.1
97.06519	9.6
97.10157	6.5
98.21314	8.8
99.08096	31.1
105.07045	19.0
107.04922	5.4
107.08607	32.5
109.10145	21.5
111.08117	3.2
113.53065	3.3
119.08621	21.1
121.10152	32.4
129.06990	3.3
131.08600	5.5
133.10147	16.1
135.11693	42.2
137.09621	5.0
141.09140	4.4
144.43796	2.9
145.10115	5.5
147.11646	3.6
149.13246	13.0
151.11156	18.0
159.11740	6.0
161.13286	12.4
163.11169	4.5
163.14751	4.5
165.12831	3.8
177.12697	6.1
179.14314	100.0
189.12785	3.8
199.14809	4.1
204.02382	3.6
221.15295	4.2
247.61035	3.4
259.20593	5.7
274.72153	3.9
277.21661	35.1
295.22824	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	295.227
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
50.29967	3.2
51.01759	3.1
53.03939	6.1
55.01850	9.0
55.05518	50.0
55.40327	3.9
57.03436	7.3
57.07084	18.6
59.05010	4.1
65.03918	4.1
67.05510	100.0
69.03419	7.9
69.07074	43.2
69.38730	18.0
69.39152	9.7
71.04987	8.0
71.08617	11.2
73.02887	4.8
79.05077	4.3
79.05503	62.0
81.03404	10.8
81.07063	85.3
83.04989	25.1
83.08628	25.2
85.02920	8.0
85.06490	5.6
91.05482	42.7
93.07044	61.5
95.04989	16.9
95.08607	46.3
97.06538	17.2
97.10171	20.2
99.08106	10.3
101.02411	4.9
103.05481	4.3
105.07031	33.1
107.08610	37.0
109.06513	10.8
109.10168	33.5
111.08070	8.6
113.09615	4.4
117.07017	4.8
119.08603	23.7
121.10152	28.2
123.08082	6.9
123.11692	9.6
125.09621	14.6
129.07086	4.7
131.08572	6.4
132.71484	3.3
133.06494	5.4
133.10155	17.1
135.08023	5.4
135.11729	18.9
135.75047	3.6
137.09587	9.8
139.11168	18.5
143.08537	8.7
145.10144	5.7
147.11711	16.8
149.13274	7.1
151.11192	6.0
157.10150	5.2
159.11729	3.5
161.13252	7.7
163.11169	8.1
165.12735	6.8
171.11655	7.9
173.13283	4.0
175.03955	3.9
175.11185	8.5
175.14809	4.2
179.14360	7.9
183.35648	3.6
221.11726	5.0
221.15340	4.5
231.21233	4.2
249.22142	7.0
259.20547	9.8
277.21652	68.6
295.22748	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03946	7.5
55.01877	41.3
55.05513	66.1
57.03439	6.2
57.07077	15.6
59.05000	3.5
65.03942	4.4
67.05508	84.0
69.03426	8.2
69.07070	36.0
69.75303	12.6
69.75715	6.6
71.05000	9.1
71.08632	20.0
79.05025	3.7
79.05496	69.4
79.05970	4.2
79.49419	3.0
81.03426	20.4
81.07059	100.0
83.04982	29.6
83.08627	28.4
85.02914	4.4
85.06560	6.2
85.10173	4.5
91.05488	41.9
93.07052	72.1
95.04980	24.9
95.08623	55.2
97.06550	13.8
97.10163	16.9
98.21487	6.5
99.08100	17.9
105.07030	38.6
107.08600	41.5
109.06528	10.9
109.10164	23.9
111.08099	42.4
111.39306	2.9
113.09679	4.1
117.07030	9.1
119.08584	21.8
121.10136	25.2
123.08090	9.4
123.11702	6.1
125.09624	8.9
131.08559	12.2
133.06522	7.7
133.10126	32.0
135.11696	15.4
137.09656	6.8
137.13239	4.6
139.11253	15.2
143.08513	4.2
145.10121	9.4
147.11711	21.8
149.09650	5.6
149.13268	12.7
151.11206	16.5
153.12802	5.4
157.10156	8.0
159.11792	7.5
161.13281	14.9
163.11197	6.1
165.12799	18.1
171.11758	5.7
173.13187	4.9
175.11195	10.6
175.14873	3.7
177.12830	6.3
179.14366	10.8
185.13205	5.5
189.11261	6.5
193.12259	8.5
195.13814	6.0
207.13834	5.9
221.15402	4.8
231.21074	5.6
235.16785	3.6
241.19626	4.6
249.22122	7.1
259.20590	10.7
277.21643	88.0
295.22705	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46917	0.4
57.31836	0.4
65.03940	1.1
69.94577	2.2
72.08162	15.1
77.03925	1.0
84.04501	1.0
89.03954	0.5
89.10273	0.7
89.10804	10.6
89.84800	0.4
91.05490	25.7
98.06074	0.8
103.05460	0.9
107.04925	0.5
115.08708	2.2
119.04955	40.5
120.08116	2.8
123.73450	0.4
129.03345	0.7
132.02066	2.4
136.05215	0.5
145.02826	1.2
146.06030	1.0
147.04424	34.6
149.02379	0.8
150.07759	1.6
157.03992	4.7
164.04718	0.8
166.08684	1.0
174.05586	0.5
175.03925	58.6
179.07059	3.6
180.80074	0.4
207.06551	100.0
208.06903	0.9
278.13916	3.4
284.40674	0.4
295.16556	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	295.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.7
69.77878	2.4
69.78259	1.1
72.08163	6.9
84.05260	0.4
84.26806	0.4
88.03999	0.5
89.10802	5.4
91.04903	1.0
91.05484	20.9
98.06066	0.6
98.20833	0.7
102.44140	0.5
105.03413	0.5
115.08682	1.8
119.04948	33.1
129.03380	0.9
132.02037	1.3
135.04431	0.5
136.05252	0.6
145.02863	0.5
146.06021	1.6
147.04420	29.5
149.02364	0.6
151.89973	0.5
154.39572	0.5
157.03975	3.5
158.37964	0.5
164.04709	1.5
174.05453	0.5
175.03918	55.2
179.07016	2.6
207.06538	100.0
208.06841	0.9
278.13889	4.8
294.81714	0.4
295.16565	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	295.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63665	0.3
53.03941	0.4
55.01872	0.5
55.05508	1.1
55.28803	0.3
61.02916	0.3
67.05499	0.8
69.03413	0.5
69.07089	0.5
70.06583	0.4
70.07121	0.6
70.07497	0.4
72.08142	0.9
79.05494	4.2
80.05019	1.3
81.03433	0.5
81.05803	4.2
81.07066	3.4
82.06602	0.4
83.08635	0.3
84.08143	0.9
88.03994	1.5
89.10785	0.4
91.05472	2.2
93.07089	0.3
94.06562	2.5
95.04964	0.5
96.08136	18.3
97.02892	0.3
97.06530	0.4
106.06567	3.4
107.04971	0.9
108.08134	0.5
109.02885	0.5
109.06522	1.0
112.07610	3.8
119.04950	2.9
120.08121	0.3
121.10095	0.3
124.07598	100.0
125.07911	0.6
126.09186	1.1
135.04485	0.5
136.07526	0.6
137.06082	0.3
138.09135	0.4
146.06009	3.3
147.04405	2.4
147.08051	0.3
151.03922	1.1
152.07037	0.6
154.08661	2.7
156.06625	0.4
157.04106	0.4
164.07085	2.5
172.09703	3.7
174.04105	0.4
174.05505	1.5
175.03922	4.5
207.06528	8.4
232.13342	1.0
259.14423	3.2
260.12799	1.1
277.15546	3.1
278.14063	0.4
295.08493	0.4
295.13455	0.5
295.16635	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56407	2.3
53.34152	2.2
55.01874	10.5
55.05512	17.4
57.07081	20.4
65.03925	2.6
66.62162	2.0
67.05517	22.4
69.03399	2.5
69.07069	14.6
69.20834	20.3
71.04984	2.5
71.08624	7.6
73.43148	2.0
79.05508	14.5
81.03410	3.5
81.07059	26.6
83.04971	3.5
83.08624	9.7
85.06541	3.8
91.05487	12.2
93.07052	12.8
95.04961	7.0
95.08616	18.2
97.06517	5.0
97.10173	4.4
99.08090	5.8
105.07034	8.7
107.08614	9.5
109.06506	4.2
109.10167	8.0
111.08083	9.3
113.09669	2.0
119.08597	6.4
121.02878	3.5
121.10164	9.4
123.08049	4.0
123.11710	7.0
125.09673	3.5
131.08582	3.7
131.13028	2.5
133.10133	7.6
135.08081	3.0
135.11684	6.4
137.09709	3.2
145.10104	4.1
146.06030	4.6
147.11676	8.0
149.02353	100.0
149.13264	4.1
151.11142	6.4
161.13280	3.0
163.03947	4.2
163.11186	2.9
165.12778	4.0
171.11600	2.9
175.07584	3.7
179.14264	3.4
203.07047	5.5
231.21104	2.6
259.20532	4.1
262.20499	2.4
277.21634	26.3
295.22858	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	295.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99595	0.6
53.03955	1.0
53.70665	0.5
60.04522	0.6
61.81499	0.8
63.69784	0.6
68.99786	1.1
70.02957	10.1
70.75368	1.4
72.08166	4.6
74.02441	3.0
77.03947	0.7
81.03402	1.4
84.44648	0.6
86.02437	2.0
87.00826	1.9
88.03997	39.7
89.10808	2.0
91.05486	8.7
92.05007	1.6
94.06572	44.4
95.04955	0.7
98.02419	1.2
98.06036	0.7
99.00829	5.2
104.03475	12.1
104.04977	3.0
105.03419	0.8
110.06074	0.9
112.29807	0.6
115.08694	0.8
116.03442	1.7
118.06543	2.9
119.04948	13.9
120.04478	8.9
120.08133	0.7
124.07540	1.2
127.03925	1.2
130.04997	2.4
132.04460	5.6
136.07599	1.7
138.09160	2.7
139.03906	2.4
140.07074	0.7
146.06018	100.0
147.04420	11.8
150.05528	4.4
151.03880	2.1
152.07062	1.0
156.02914	4.8
157.04002	1.7
158.04506	1.6
163.08685	1.6
174.03996	16.9
174.05536	41.0
175.03918	23.6
179.06953	1.0
180.56145	0.7
184.02344	0.9
192.06595	7.3
202.03477	11.6
205.05064	0.7
207.06532	43.9
233.09305	0.9
259.14383	0.9
277.08261	1.2
278.13831	2.2
295.08395	2.0
295.16550	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	295.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
60.57314	0.7
70.02960	8.1
70.27348	1.5
70.27710	1.5
74.02441	3.0
86.02428	1.9
87.00821	1.4
88.04003	37.4
91.05499	1.7
92.04995	1.2
94.06581	43.7
95.04948	0.9
98.02414	1.2
99.00816	3.5
104.03481	13.0
104.04990	3.4
116.03477	2.2
118.06547	2.9
119.04942	2.2
120.04488	11.3
130.05016	2.0
132.04486	5.5
136.07559	1.3
146.06026	100.0
147.04448	1.4
150.05522	3.5
156.02946	4.1
158.04524	1.2
163.08722	1.1
164.07057	0.9
174.04013	13.4
174.05545	37.1
175.03944	2.6
192.06584	6.3
202.03493	13.1
207.06538	4.7
233.09441	0.7
277.08234	2.2
295.09366	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2474
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
50.52532	0.8
53.03949	2.1
55.05513	10.0
57.07073	1.9
63.67509	0.7
65.03939	2.3
67.05506	91.1
69.07063	7.6
69.17635	0.9
69.76199	2.1
69.76591	2.0
71.13966	0.8
73.17502	0.8
79.05499	15.8
81.07059	100.0
83.04964	1.1
83.08633	5.3
85.06537	2.4
91.05473	6.2
93.07050	11.0
95.04967	0.9
95.08610	76.9
97.06532	1.4
97.10166	2.5
99.08066	1.2
105.07045	5.3
107.08608	9.3
109.06584	1.5
109.10163	40.0
117.07047	2.0
119.08598	4.9
121.10162	7.0
123.08059	1.5
123.11716	27.8
125.01869	0.7
125.09614	1.3
131.08537	4.2
133.10115	5.1
135.11697	6.5
137.09602	3.0
137.13274	12.2
139.11139	0.8
145.10109	4.1
147.11693	3.6
149.09671	1.0
149.13264	3.9
150.14441	0.9
151.11169	2.4
151.14804	3.0
153.12729	0.9
157.92921	0.8
159.11711	2.6
161.13232	2.6
163.11165	2.8
163.14841	2.2
165.12801	2.5
165.16380	0.9
166.21362	0.8
173.13298	5.1
177.12708	2.1
177.16365	1.7
181.12178	0.9
187.14832	3.5
191.10608	1.0
191.14326	1.6
205.15858	1.5
209.11644	1.2
209.15297	1.5
219.21072	1.3
220.85004	0.8
223.17038	1.2
237.11160	2.0
237.18375	1.9
243.21126	5.6
261.22174	8.3
276.25461	0.9
293.21490	1.7
293.24768	22.0
293.28085	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2067
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.05506	0.5
57.07076	0.7
62.65615	0.2
66.04724	0.3
67.05508	0.9
71.08637	0.5
74.03583	0.2
77.46204	0.2
79.05483	0.7
81.07057	2.4
81.82120	0.2
91.05474	0.9
94.04192	2.3
95.04968	0.3
98.10542	0.3
105.07038	0.3
107.08595	0.4
109.06526	0.8
110.10494	0.3
110.74913	0.2
122.03655	7.0
122.04488	0.5
123.11708	1.5
137.05986	100.0
138.06320	0.5
158.15385	1.4
170.15450	2.1
205.68808	0.3
224.83723	0.2
238.11710	0.4
276.20374	0.4
294.20795	0.5
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	12-OPDA
Peak:m/z	Relative Intensity
53.03938	4.2
55.01862	12.9
55.05520	21.6
57.03439	16.4
67.05183	3.1
67.05509	35.7
69.07059	27.2
69.31948	8.2
69.32352	17.1
74.12550	2.7
79.05496	47.9
81.03432	5.7
81.07063	49.4
83.04992	4.4
83.08605	12.2
85.06540	9.8
87.04469	2.8
88.16500	2.8
91.05493	42.2
93.07053	47.1
95.04962	16.0
95.08620	34.9
97.06532	14.4
97.10170	9.6
98.20735	4.1
98.97604	5.0
99.90553	2.9
103.05474	3.2
105.07040	48.1
107.04944	10.7
107.08606	59.2
109.06503	11.5
109.10146	10.9
111.08034	5.4
117.07011	12.9
117.61048	2.7
119.08589	34.7
121.06503	6.5
121.10149	18.9
123.08100	7.9
124.81922	3.2
125.09591	8.4
129.06979	5.6
131.08591	20.5
133.10127	23.6
135.08109	6.2
135.11653	8.3
137.09618	4.3
143.08569	5.8
145.10109	15.2
147.11702	17.3
149.09608	13.5
151.11185	6.1
151.94624	3.1
157.10109	8.4
159.11691	23.9
161.09595	5.8
161.13254	9.6
163.11206	4.7
165.09129	3.3
169.10014	3.7
173.13229	6.9
177.05458	14.3
177.12743	6.1
178.06250	11.0
183.11612	5.4
185.13315	15.9
187.11269	3.7
191.07022	4.2
191.19028	3.4
197.13347	3.6
201.16315	8.2
203.14279	9.7
205.12233	4.2
215.18124	3.4
219.17455	45.0
221.15359	16.4
233.11775	16.0
239.17882	5.5
247.20589	5.9
257.18991	17.9
275.20093	100.0
293.21124	29.8
294.31763	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	293.2476
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03944	1.7
55.05514	9.5
57.07077	2.2
62.62770	0.7
65.03939	2.8
65.25255	0.8
67.05508	98.1
69.03394	0.9
69.06730	1.2
69.07069	10.3
69.20509	8.5
71.04976	1.6
73.06570	0.9
79.05495	17.1
81.07061	100.0
83.04987	2.0
83.08624	5.2
85.06536	3.0
91.05477	7.3
93.07053	17.1
95.05005	1.7
95.08612	78.4
97.06538	2.7
97.10173	3.4
105.07037	6.1
107.08598	9.8
109.06541	1.8
109.10160	30.0
111.08092	0.9
111.11713	0.9
117.07023	3.0
119.08606	5.3
121.10138	10.4
123.08059	2.2
123.11716	16.0
125.09624	1.0
131.08566	7.7
133.10110	4.2
135.08093	1.5
135.11696	7.2
137.09621	1.6
137.13263	8.9
145.10143	4.0
147.11700	3.1
149.09598	3.0
149.13277	5.7
151.11169	1.1
151.14795	4.5
154.62411	0.8
155.10703	0.9
158.36661	0.7
159.11707	3.9
161.13281	3.4
163.11206	2.3
163.14832	2.8
165.12718	1.5
165.16437	1.0
173.13264	5.2
177.12778	3.6
177.16434	2.0
179.14281	1.0
187.14868	3.0
191.14357	1.7
205.15936	1.2
219.21214	1.2
237.11243	1.1
237.18530	1.3
243.21104	5.8
252.42180	0.8
261.22217	5.7
275.20193	2.3
293.21506	1.2
293.24722	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.96251	2.5
53.03950	5.4
55.01864	10.6
55.05269	4.0
55.05517	57.4
55.55717	2.7
57.03426	3.0
57.07080	3.8
65.03944	3.0
67.05513	43.2
69.03448	4.1
69.07070	16.0
69.86446	14.5
71.05032	3.2
75.63436	2.2
79.05500	84.9
79.68470	2.7
81.03428	3.1
81.07062	42.0
83.04981	12.4
83.08628	21.8
85.06509	2.6
91.05476	32.1
93.07046	36.6
95.04970	10.3
95.08624	15.2
97.06557	14.3
97.10187	24.4
105.07042	35.9
107.04961	40.1
107.08600	64.9
109.06511	7.6
109.10162	20.5
111.08106	4.3
117.07027	8.1
119.08575	21.0
121.06549	2.9
121.10150	18.0
123.08100	4.9
123.11725	7.5
125.09640	23.2
131.08577	13.6
133.10121	20.4
135.08035	8.9
135.11708	5.3
145.10106	13.5
147.11699	17.9
149.09631	86.4
151.11183	3.2
153.09096	4.8
157.10138	5.0
159.11661	5.4
161.13301	5.4
163.11191	7.1
169.12306	5.1
171.10161	6.8
171.11609	3.0
173.13280	4.3
189.11252	18.7
209.11787	2.8
215.17828	4.0
229.19539	10.3
237.11252	4.1
247.20630	4.5
257.19031	16.5
275.20084	100.0
293.21161	18.3
304.52631	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03929	8.3
55.01867	12.3
55.05519	38.3
56.96547	3.6
57.03431	4.7
57.07077	4.5
65.03963	4.6
67.05178	4.0
67.05509	53.4
69.03431	3.9
69.06732	3.4
69.07074	32.1
69.93440	8.2
69.93848	5.9
71.04974	7.3
79.05496	49.9
81.03414	10.3
81.07066	97.9
83.04986	7.6
83.08610	22.4
85.06572	3.4
91.05492	40.1
93.07056	53.6
95.04983	34.5
95.08617	49.9
97.02857	3.4
97.06556	15.2
97.10181	17.2
98.20701	3.4
105.07033	37.9
105.19785	2.9
107.04967	10.7
107.08608	46.7
109.06520	17.6
109.10175	27.8
111.08068	5.3
113.93855	2.7
117.07030	12.9
119.08596	33.5
121.06499	6.3
121.10168	26.2
123.08076	11.6
123.11725	11.9
125.09634	9.4
129.06992	3.5
131.08595	18.0
133.10147	23.7
135.08037	7.5
135.11667	14.0
137.09613	10.0
137.13312	3.6
143.08499	3.4
145.06496	3.7
145.10121	16.5
147.11708	18.1
149.09610	29.7
149.13257	7.1
151.11165	8.8
153.12779	3.2
157.10197	4.8
159.11729	14.1
161.09698	3.9
161.13272	9.2
163.11188	15.2
165.09137	4.8
165.12776	3.8
169.10118	3.2
173.13289	9.1
175.11247	3.7
177.12720	4.3
179.14340	3.5
183.11638	4.2
187.14888	3.3
189.11177	4.9
197.13350	3.4
223.13260	6.8
229.19452	5.9
239.18018	5.8
247.20599	11.0
257.19022	16.3
275.20102	100.0
293.21140	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03965	35.6
55.01879	35.2
55.05510	32.7
57.07068	6.2
61.60638	6.7
67.05510	75.3
69.07066	57.6
69.94950	26.0
70.97080	5.4
71.04973	5.9
72.81178	7.4
79.05496	61.8
79.62407	6.0
80.29813	5.2
81.03429	54.2
81.07057	100.0
83.04995	17.7
83.08633	13.7
91.05079	5.7
91.05496	60.9
93.07043	56.2
95.01337	10.4
95.04995	30.2
95.05496	5.8
95.08618	65.6
97.06525	37.3
105.07043	89.7
107.04952	25.5
107.08595	35.4
109.06552	8.3
109.10147	15.7
117.07005	15.2
119.08602	44.4
121.06508	12.1
121.10127	10.9
123.08062	18.5
123.11696	6.0
125.09621	8.0
131.08539	35.6
133.10124	51.1
135.08104	10.0
135.11694	21.7
137.09610	9.6
145.10135	26.7
147.11710	28.4
149.09602	15.1
151.11160	7.1
159.08090	6.5
159.11674	22.0
161.09760	6.4
161.13246	7.9
161.67549	5.4
163.11197	11.6
173.13245	9.6
175.11096	5.5
177.12730	7.5
179.14316	23.2
195.13669	6.3
223.13362	6.2
223.87024	5.6
229.19485	8.6
237.11168	5.9
239.18060	5.7
275.20135	78.6
293.21243	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03481	1.4
53.03946	5.6
54.58960	1.6
55.01875	8.6
55.05516	21.0
57.03437	4.2
57.07081	3.1
65.03922	1.8
67.05511	44.7
67.05880	2.2
69.07076	17.8
69.94958	8.7
71.04995	4.3
79.05497	42.5
81.03427	8.2
81.07063	100.0
83.04992	7.5
83.08632	13.5
85.06541	4.1
91.05497	29.7
93.07057	33.9
95.04978	17.2
95.08610	23.0
97.06526	8.5
97.10181	4.8
105.07043	36.2
107.04974	8.8
107.08591	20.9
109.06524	26.8
109.10162	10.5
111.08083	5.9
113.35228	1.8
117.07037	7.1
119.08599	27.0
121.06519	6.3
121.10136	13.3
123.08071	11.6
123.11721	4.4
125.09665	3.5
129.07001	6.1
131.08585	13.3
133.10149	24.5
135.08035	5.2
135.11731	6.6
137.09671	8.2
141.06953	1.7
145.10162	13.5
147.11699	13.6
149.09610	13.3
149.13310	4.9
151.11183	6.0
155.08528	1.8
157.10178	5.7
159.11681	9.2
161.13269	4.0
163.11172	9.2
165.09128	1.9
165.12776	3.3
169.10205	2.1
173.09621	1.9
173.13286	6.0
175.11220	4.1
177.12737	2.6
183.11745	2.6
187.11256	2.1
187.14845	2.8
193.12259	2.1
195.07835	1.6
209.11644	2.0
219.17474	3.5
223.13316	1.8
229.19580	2.4
235.16893	2.1
237.11172	3.1
239.18115	2.0
247.20628	4.4
257.19040	6.6
270.10941	2.0
275.20093	74.9
293.21130	41.8
293.24332	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	9,10-EOT
Peak:m/z	Relative Intensity
53.03949	7.4
55.01878	9.0
55.05514	18.3
57.03422	3.0
57.07082	1.7
57.23367	1.4
65.03951	2.2
65.12220	1.3
67.05505	34.9
69.03429	2.5
69.07069	20.7
69.76151	9.3
71.04981	3.8
74.05431	1.5
79.05494	39.8
81.03407	8.6
81.07059	100.0
83.04974	6.1
83.08630	17.3
85.06543	2.0
91.05475	23.9
93.07043	21.9
95.04970	17.2
95.08610	19.5
97.06516	11.5
97.10164	2.0
99.08099	2.0
105.07030	25.1
107.04982	9.6
107.08595	18.0
107.41885	1.4
109.06520	39.2
109.10177	9.0
111.08080	6.7
117.07032	8.4
119.08589	18.5
121.06513	4.8
121.10147	11.2
123.08071	10.5
123.11694	4.5
125.03402	1.7
125.09601	1.8
129.07031	2.9
131.08586	10.4
132.44662	1.4
133.06516	2.0
133.10141	19.5
135.08055	4.8
135.11684	8.6
137.09641	3.6
137.13377	2.4
139.15211	1.3
145.10127	12.9
147.08055	2.5
147.11707	16.1
149.09634	11.6
149.13293	5.9
151.11182	5.3
155.08621	2.0
157.10129	3.3
159.11684	6.9
161.13235	3.5
163.11229	10.2
165.09148	2.1
165.12752	4.3
171.11642	2.8
173.09561	3.1
173.13300	4.5
175.11201	3.9
177.12784	2.8
187.11159	1.7
189.12750	1.8
191.10661	2.1
193.12262	5.3
229.19585	2.0
239.17960	3.9
247.20604	3.1
257.18976	7.2
275.20065	60.3
293.21143	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03939	2.9
55.01861	5.0
55.05516	15.2
56.66279	1.5
57.07065	3.0
60.77052	1.4
67.05186	1.8
67.05515	31.2
69.03420	2.3
69.07074	24.0
69.74522	4.3
69.74930	3.7
71.04966	2.5
73.82927	1.3
79.05065	2.1
79.05495	22.9
79.59853	1.6
81.03435	1.8
81.07062	30.6
83.04990	7.8
83.08612	5.0
91.05492	16.9
93.06496	1.8
93.07050	23.0
95.04990	10.0
95.08610	21.3
97.06531	3.4
97.10191	1.8
103.05527	1.7
104.61182	1.5
105.07030	24.2
105.57912	1.6
107.04935	5.8
107.08620	15.5
109.06544	9.2
109.10180	8.2
111.08017	1.5
111.93684	1.4
117.06983	5.6
119.08591	14.2
119.18255	1.4
121.06515	9.8
121.10153	10.3
123.08057	5.5
123.11713	3.5
125.09608	2.8
129.06964	2.7
131.08553	13.1
133.06447	2.2
133.10138	16.3
135.08015	4.6
135.11687	4.3
137.09669	3.4
143.08556	2.2
145.10158	10.2
147.08009	3.4
147.11708	10.4
149.09592	6.9
149.13213	1.8
151.11165	6.7
157.10162	3.3
159.08025	2.2
159.11707	7.0
161.13275	2.2
163.11151	4.3
165.09183	1.5
165.12704	2.5
168.41197	1.4
173.09593	2.6
173.13275	5.3
175.11230	3.5
177.12708	2.3
183.11671	1.9
187.11186	2.4
191.14285	3.5
201.12697	1.9
207.13765	3.5
219.13803	6.0
224.11937	1.4
229.19528	4.7
237.11292	2.6
239.18074	3.5
247.20618	2.5
257.19009	13.5
275.20071	100.0
293.21085	29.1
297.43640	1.5
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
52.53282	2.1
53.03936	5.5
53.05426	2.1
55.01865	8.1
55.05516	25.3
57.03442	3.4
57.07056	2.9
61.10739	1.9
65.03952	2.9
66.83571	1.8
67.05182	3.5
67.05512	50.7
69.03439	3.7
69.07073	25.9
71.04996	8.4
71.05880	4.0
71.06208	2.6
72.87556	1.9
79.05499	48.9
81.03413	10.1
81.07061	100.0
83.04974	6.8
83.08621	13.1
85.06536	2.4
88.15556	2.0
91.05488	29.9
93.07056	35.0
95.04980	30.5
95.08615	35.3
97.06532	8.0
97.10186	4.9
105.07038	40.8
106.07631	2.4
107.04950	7.1
107.08604	29.2
109.06534	26.0
109.10159	20.7
111.08109	7.6
117.07014	9.2
119.08594	36.8
121.06511	6.1
121.10161	15.7
123.08066	19.0
123.11711	8.8
125.09695	4.6
131.08597	11.3
133.06509	2.1
133.10121	24.4
133.55255	2.1
134.69781	2.1
135.08043	5.9
135.11691	7.4
137.05954	3.4
137.09636	10.5
143.08592	3.5
145.10162	13.1
147.08051	4.5
147.11678	23.4
148.52443	2.0
149.09628	10.9
149.13228	2.3
151.11124	6.2
157.10133	3.1
159.11681	11.8
161.13290	5.2
163.11201	8.9
165.12749	2.6
173.13266	5.0
175.11197	3.6
177.12871	4.7
183.11610	2.9
201.12778	2.4
201.16406	2.4
203.14406	2.3
205.15781	2.5
239.17958	3.7
247.20531	5.8
257.18976	9.3
275.20090	70.4
282.52423	2.2
293.21112	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03956	5.4
55.01870	12.9
55.05517	23.5
57.03433	2.9
57.07087	3.5
64.79486	2.1
65.03941	4.5
67.05505	55.5
67.05840	4.0
69.03424	2.6
69.07072	21.8
70.79814	5.3
71.04988	4.5
73.92059	2.0
74.86384	2.0
79.05496	42.1
81.03438	6.1
81.07062	100.0
83.05003	4.4
83.08620	13.9
85.06535	4.7
89.40887	1.9
91.05485	35.6
93.07054	32.0
95.04980	25.1
95.08610	35.0
97.06552	8.7
97.10181	3.9
99.80132	2.2
105.07039	37.0
105.07693	3.4
107.04979	8.6
107.08603	21.1
109.06515	25.0
109.10167	25.2
109.10851	2.6
111.04504	2.4
111.08118	6.5
117.07004	10.9
119.08598	32.8
119.09397	3.8
121.06524	4.6
121.10143	15.5
123.08089	12.3
123.11757	4.4
125.09617	4.4
131.08551	13.8
133.10143	27.2
135.08102	6.2
135.11720	5.5
137.09657	8.2
145.10182	13.1
147.08057	2.9
147.11684	17.1
148.16945	2.1
149.09604	10.8
149.13242	3.8
151.11241	10.3
157.10187	3.3
159.11714	11.6
161.13327	2.8
163.11223	9.6
165.12756	2.3
173.13300	7.1
175.11282	2.5
177.12836	3.8
205.12378	2.4
223.13403	2.6
229.19525	5.5
237.11067	2.9
237.14967	2.8
239.18091	4.8
247.20602	5.9
257.19006	8.3
275.20096	57.2
291.15402	2.7
293.21133	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03945	5.3
55.01880	11.1
55.05515	31.0
56.96572	3.5
57.03441	3.1
57.07064	2.5
59.43231	1.4
65.03946	3.7
65.04762	1.7
65.41964	1.3
66.37730	1.4
67.05183	1.8
67.05511	26.3
69.03441	3.2
69.07072	11.9
69.60440	1.6
70.06582	1.3
71.04990	1.5
71.51811	2.7
79.05499	52.3
79.33258	1.2
81.03423	5.6
81.07061	32.5
82.07391	1.7
83.04970	6.2
83.08629	13.7
85.06525	1.8
91.05486	33.2
93.07047	24.5
95.04961	4.9
95.08604	15.7
97.06546	7.8
97.10178	23.2
98.97567	1.7
105.06327	1.9
105.07034	35.2
105.07702	2.8
107.04955	9.3
107.08602	100.0
109.06519	8.2
109.10188	11.2
111.08093	1.9
116.98621	1.4
117.07027	7.8
119.06078	2.5
119.08588	17.5
121.06502	4.4
121.10136	10.1
123.08093	4.3
123.11761	4.0
125.09633	22.3
129.07050	1.9
131.08592	12.5
133.10147	22.5
135.08028	5.6
135.11664	5.7
137.09645	2.7
143.08522	1.8
143.10745	1.8
145.10152	13.2
147.11708	12.5
149.01253	2.6
149.09644	16.9
151.11174	3.4
153.09180	1.8
159.11748	7.4
161.09644	2.6
161.13344	3.1
163.11165	4.0
165.09122	2.9
171.11627	1.7
173.13293	5.1
175.11247	1.9
177.12720	1.9
181.12230	3.6
187.11142	2.1
189.11235	14.6
197.13318	2.4
229.19551	2.9
232.94305	1.6
239.18028	2.7
247.20599	2.6
257.19025	9.6
275.20087	72.3
293.21161	17.8
293.27817	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	293.1387
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03938	1.2
55.01870	1.0
55.05514	27.2
55.55492	0.3
57.03431	0.6
57.07069	0.9
59.04993	0.7
65.03941	1.6
67.05509	6.0
69.03417	1.3
69.07072	5.8
70.06592	1.0
71.04997	0.9
71.08653	0.5
71.30470	0.6
72.08168	0.4
73.06174	0.7
73.06561	9.5
79.05494	3.3
81.07062	12.9
82.26177	0.3
83.04974	1.0
83.08615	1.5
85.02908	0.5
85.06538	1.6
91.05479	3.9
93.03413	0.7
93.07054	6.3
95.04975	1.8
95.08617	9.7
97.06522	3.4
97.10181	2.7
99.04458	0.5
99.08120	0.3
101.06016	1.8
105.07026	3.7
107.04942	0.6
107.08604	7.5
109.06538	2.8
109.10159	7.1
111.04492	0.6
111.08096	0.8
111.11689	0.5
117.05472	0.5
117.07018	0.9
119.08594	3.1
121.02867	6.3
121.03967	1.5
121.06508	1.3
121.10152	6.2
123.08051	1.2
123.11717	4.2
123.41989	0.4
125.05988	0.4
125.09642	1.3
129.07021	2.8
131.08582	4.7
133.10143	2.4
135.08044	1.3
135.11665	2.4
136.99251	0.4
137.09608	1.7
137.13232	1.8
139.11151	0.4
143.04951	1.7
143.08583	0.4
145.06502	0.5
145.10126	1.9
147.04463	0.6
147.08067	0.5
147.11699	1.6
149.02350	100.0
149.09633	3.0
149.13280	1.1
150.02716	0.8
151.11201	1.1
155.10738	0.4
157.06506	0.9
157.10048	0.4
159.07950	0.5
159.11732	1.8
161.05989	5.7
161.09599	0.6
161.13280	0.9
163.11171	1.5
163.14803	0.4
165.12744	0.6
167.03459	1.0
167.10664	0.5
171.11673	0.5
173.13292	1.4
175.07553	19.4
175.14900	0.9
177.12772	1.1
181.12215	0.4
185.05991	1.0
187.14761	0.6
191.14436	0.5
199.14867	0.7
202.92955	0.5
203.07045	23.6
219.21109	0.6
221.08080	0.4
229.19463	0.5
233.18881	0.5
235.16959	0.5
237.14914	1.0
247.20668	0.7
257.19028	0.6
275.12827	3.2
275.15683	0.5
275.17087	0.5
275.20117	2.7
275.23779	0.9
293.14096	2.2
293.21146	6.4
293.24768	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	293.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02510	0.4
53.03936	1.3
55.01860	0.9
55.05515	22.5
57.03435	0.6
57.07062	1.1
57.54956	0.3
65.03932	2.1
67.05509	3.7
69.03416	1.2
69.07076	3.9
69.33238	0.3
69.40874	2.1
69.41289	0.8
70.06609	0.7
71.04997	0.8
71.38719	0.3
72.08140	0.4
73.06571	3.5
75.02373	0.3
79.05499	3.2
81.03424	0.8
81.07059	8.8
83.04969	0.8
83.08599	1.2
85.02882	0.4
85.06544	1.2
91.05478	3.2
93.03404	0.8
93.07058	3.9
95.04974	1.3
95.08612	6.1
97.06515	1.0
97.10178	1.2
97.14260	0.4
97.23132	0.4
98.21489	0.5
99.04429	0.4
103.05484	0.5
105.07027	2.2
107.04969	0.7
107.08598	3.4
109.06529	1.6
109.10150	4.8
111.04445	0.4
111.08053	0.9
119.08556	1.8
120.08070	0.5
121.02871	6.9
121.03990	1.2
121.06513	0.7
121.10145	2.7
123.08048	1.0
123.11700	2.7
125.09624	1.2
127.11179	0.6
128.06247	0.4
129.07022	1.6
131.04924	0.9
131.08577	2.9
133.10132	1.6
135.04417	0.4
135.08075	0.7
135.11702	1.9
137.09631	0.9
137.13255	1.5
139.11195	0.6
143.05025	0.9
145.10147	1.4
147.08069	0.6
147.11711	0.9
149.02350	100.0
149.09598	0.9
149.13223	0.6
150.02650	0.7
151.11169	0.9
157.06534	0.8
159.11674	0.8
161.06004	3.1
161.09651	0.5
161.13322	0.7
163.11179	0.8
165.12782	0.8
167.03415	1.2
173.13268	0.9
175.07542	13.3
175.14828	0.5
185.05930	0.5
187.14844	0.4
190.04927	0.4
201.16154	0.4
203.07047	13.8
219.17574	0.4
221.08089	4.3
222.77022	0.3
232.38454	0.4
257.19168	0.5
275.12924	0.9
275.20135	2.0
275.23453	0.6
293.08279	0.7
293.13956	4.7
293.17459	0.7
293.21173	2.4
293.24780	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72812	5.9
53.03784	6.0
61.50253	4.7
61.92365	5.4
63.27955	5.2
71.50424	10.6
98.97562	7.5
127.19604	5.5
208.16794	6.4
274.96597	6.1
293.06345	100.0
309.66504	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	293.1385
Annotation	40321-98-0
Peak:m/z	Relative Intensity
50.95378	0.3
51.97363	0.3
53.03940	1.2
55.01858	0.3
55.05516	24.1
60.23436	0.3
64.06970	0.3
65.03941	1.6
70.62746	0.6
73.06565	8.2
81.07053	0.3
86.09732	0.3
91.05486	2.2
93.03410	0.4
119.08555	0.3
121.02877	6.5
121.03992	1.1
128.06253	0.3
129.07011	2.8
131.08583	2.5
143.04926	1.6
147.08044	0.6
149.02359	100.0
150.02701	0.6
157.06529	1.0
161.06004	4.6
167.03435	0.6
172.87332	0.3
175.07564	17.6
185.05949	1.3
187.82050	0.4
190.05142	0.3
203.07059	21.7
221.08138	0.6
258.71881	0.3
275.12799	3.3
293.13870	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
53.33429	0.4
55.05515	20.4
65.03935	2.0
66.72817	0.4
67.05499	0.8
67.33906	0.4
69.07081	0.5
69.22415	1.8
69.22839	2.4
71.04977	0.4
72.11396	0.4
73.06554	3.7
79.05475	0.6
81.07041	1.2
91.05480	1.7
93.03399	1.0
93.07067	0.7
95.08608	0.7
105.07050	0.6
107.08572	0.7
109.71043	0.5
111.04485	0.5
119.08546	0.5
120.08093	0.4
121.02872	6.8
121.03986	1.4
123.11683	0.9
124.07616	0.4
129.07008	1.1
131.08571	1.6
133.02928	0.5
142.28651	0.4
143.04898	0.9
147.08063	0.6
149.02350	100.0
150.02663	1.2
157.06511	0.6
161.05969	3.5
167.03427	0.5
175.07549	14.2
176.45845	0.4
185.06030	0.7
203.07042	11.8
221.08107	4.6
243.58438	0.4
275.12863	0.6
293.13907	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	293.0543
Annotation	1,8-Dinitropyrene
Peak:m/z	Relative Intensity
53.04369	0.8
56.96568	33.1
69.03407	1.1
69.88261	5.3
70.06592	2.0
70.98109	3.6
71.95261	5.1
72.08146	3.0
79.21632	0.9
81.03403	0.9
84.08115	1.2
84.96037	19.5
85.02885	1.5
86.97570	1.3
97.96791	6.8
98.97588	100.0
101.00850	1.5
102.97060	1.0
109.02872	1.4
110.97574	14.9
112.99110	7.5
114.10260	2.6
115.97868	1.3
116.98626	29.3
123.98343	1.6
124.99114	12.3
128.98616	7.3
131.00180	11.1
134.99646	6.4
136.99074	1.9
139.00671	4.9
140.00218	1.7
140.98605	5.1
141.99362	6.7
143.00168	18.0
143.01936	2.3
145.01735	1.4
146.99637	1.5
147.04337	0.9
149.01199	2.0
152.69429	0.9
152.98529	1.4
155.00179	5.8
155.97375	2.1
157.01738	11.6
158.99669	10.2
160.00430	2.1
161.01213	7.7
161.02953	2.7
161.07127	3.9
164.98564	1.4
167.00160	1.2
170.99530	1.2
173.01251	7.8
173.98430	1.2
175.02786	5.3
175.04172	1.4
177.00726	4.4
177.02466	0.8
182.99672	2.3
185.01236	1.0
191.02292	4.9
201.00697	4.0
203.02078	1.0
215.02289	2.4
219.01724	6.6
233.03337	10.2
237.02879	4.1
251.04404	41.9
269.05447	56.1
275.10660	1.0
287.06564	6.1
293.05441	44.8
293.18106	1.6
305.53699	1.0
311.06509	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75883	0.9
56.96566	34.0
64.83467	0.9
69.03408	1.5
70.06589	2.0
70.66364	1.9
70.66763	1.9
70.98108	3.1
71.95242	4.2
72.08151	1.9
81.03395	1.5
82.06570	1.8
82.99852	1.2
84.08138	2.5
84.96039	17.5
85.02874	2.9
97.96814	8.0
98.97588	100.0
101.00878	6.0
103.28962	1.0
109.02842	1.2
110.97562	13.0
112.97115	0.9
112.99151	7.4
113.00859	1.5
114.10223	1.4
115.97785	1.6
116.97833	1.5
116.98626	28.9
118.08632	0.9
119.01881	3.4
122.06844	1.1
124.99144	13.7
127.03870	1.6
128.98624	8.0
130.08691	1.3
131.00182	8.5
131.01862	2.4
134.99635	4.4
136.99104	2.3
139.00638	4.3
139.39391	0.9
140.98579	5.4
141.99384	6.6
142.01079	1.3
143.00172	19.2
143.01866	8.0
145.03407	1.1
146.99603	2.3
149.01132	1.0
153.01811	1.0
155.00177	6.0
155.01843	2.7
155.97290	2.2
157.01753	11.3
157.03442	3.5
158.99669	9.7
160.00435	2.3
161.01276	6.4
161.02971	12.4
163.02567	1.1
173.01204	10.1
173.02835	2.3
173.98387	1.4
175.02750	3.7
175.04393	1.4
177.00746	5.0
182.99614	2.3
185.01216	1.7
185.02962	1.5
191.02225	3.8
191.03864	0.9
201.00703	3.3
203.03958	3.8
215.02209	1.5
215.04063	1.6
219.01772	6.6
233.03291	9.1
235.06491	1.0
237.02759	4.5
251.01817	2.0
251.04385	36.3
253.07686	2.1
261.02649	1.1
269.05438	49.7
270.04675	1.0
275.06223	1.5
287.06638	4.8
293.05389	45.2
293.18094	1.4
294.05334	1.0
295.92801	1.3
311.06497	80.5
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
51.02385	1.3
53.03930	3.8
55.01862	2.2
55.05272	1.4
55.05513	18.2
57.07059	3.6
59.04982	1.2
60.09901	0.9
61.66064	0.9
61.88694	0.9
65.03927	1.9
67.05508	36.6
69.03420	1.2
69.07066	18.5
70.75948	2.3
73.06540	1.3
77.03910	1.5
79.05493	65.8
81.07055	48.1
83.04959	1.9
83.08621	9.5
85.06547	4.4
91.04906	1.5
91.05481	30.9
93.07045	100.0
95.04978	5.4
95.08608	31.2
97.06516	3.0
97.10168	4.3
99.08097	1.8
101.06055	1.0
103.05403	1.0
105.04517	1.6
105.07037	18.2
106.07320	1.3
107.08593	56.1
108.08909	1.1
109.06510	2.6
109.10164	11.4
111.08081	1.3
117.07024	4.6
119.08591	15.6
120.08904	1.2
121.06499	1.2
121.10143	40.2
123.08071	1.5
123.11694	3.3
125.09615	1.8
128.94806	1.0
129.06989	3.6
131.08545	6.6
133.10133	13.5
135.08063	2.9
135.11694	54.9
137.09570	1.8
143.08572	2.5
145.10146	6.5
147.04401	1.3
147.08057	0.9
147.11702	11.5
149.09584	4.7
149.13263	31.5
151.11220	1.1
157.10094	2.4
159.11665	4.5
161.13254	8.8
163.11166	3.3
163.14810	11.7
171.11736	5.0
173.13277	3.1
175.11192	1.8
175.14816	5.1
177.12770	3.9
185.13208	2.8
187.14609	0.9
189.12727	2.9
189.16327	1.1
195.13776	1.5
199.14746	1.8
203.14302	2.6
207.13899	1.1
209.15367	1.1
213.16406	3.0
217.19398	1.7
221.15436	1.7
231.17490	1.8
231.21095	1.6
235.13216	1.0
235.16931	2.9
241.19592	5.7
249.18475	2.9
259.20605	9.5
273.18433	1.5
291.19550	7.5
291.23145	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03942	4.6
55.01633	1.2
55.01879	16.3
55.05515	13.4
57.03444	11.2
67.05506	19.5
69.03410	2.8
69.07076	7.2
71.04981	2.1
71.51671	1.3
79.05497	34.8
81.03426	1.8
81.07068	20.9
83.04982	1.1
83.08621	6.2
83.37140	0.9
85.06542	3.1
88.20400	0.9
91.05486	27.1
93.07046	25.1
95.04984	6.0
95.08611	11.0
97.06542	1.3
97.10162	3.6
100.70009	0.9
103.05442	1.3
105.06396	1.6
105.07034	19.0
107.04961	7.9
107.08595	20.6
108.55858	0.9
109.06522	37.9
109.10146	3.8
111.08104	1.0
111.71548	1.1
115.05452	2.8
116.06212	1.6
117.07021	9.6
119.04934	2.4
119.06097	1.2
119.08585	10.8
121.06525	6.4
121.10138	6.8
122.06815	1.0
123.08074	3.8
123.11742	0.9
125.09641	2.2
128.06247	1.5
128.84731	1.0
129.06987	5.2
130.07826	1.0
131.08588	11.0
132.30701	1.0
133.06470	3.2
133.10146	4.1
135.08061	61.4
135.11682	6.5
136.80829	0.9
137.09541	1.0
141.07024	1.3
143.08534	5.7
145.10124	7.3
147.08063	5.6
147.11679	1.7
149.09634	6.4
149.13307	3.0
153.09103	1.1
157.10155	5.1
159.08054	1.5
159.11732	4.1
161.09641	5.3
162.10429	1.9
163.11176	1.9
165.12755	1.8
171.11636	2.4
175.11145	1.8
175.14879	1.2
177.12773	1.3
183.11618	1.2
195.57492	1.0
199.14851	3.3
201.12743	1.4
217.15906	10.3
223.13553	1.5
249.14876	2.9
255.17502	2.2
271.97089	0.9
273.18484	15.0
291.19571	100.0
291.22998	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	291.1954
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.01869	4.0
55.05508	12.6
57.03433	2.5
57.07068	4.3
57.88889	1.5
59.05005	3.6
59.38363	1.4
59.71476	1.5
61.33459	1.6
66.36740	1.6
67.05515	10.9
69.03429	2.7
69.07082	9.5
70.91355	4.6
71.04993	3.8
73.04033	1.6
79.05493	17.4
81.03392	1.9
81.07059	19.6
83.04987	3.2
83.08624	9.7
83.12229	1.5
84.04497	1.9
85.06530	2.3
91.05485	13.9
93.07059	16.9
93.61195	1.6
95.04971	7.9
95.08611	20.3
97.06529	5.0
97.10213	1.8
105.07037	15.9
107.04956	14.7
107.08577	12.4
109.06533	12.4
109.10157	6.5
111.08089	38.7
113.09663	1.6
117.07020	4.8
119.04918	1.9
119.08596	17.3
121.06506	11.1
121.10156	8.6
122.06852	6.2
123.04493	2.0
123.08067	33.6
125.09597	4.3
127.05794	1.7
128.06241	2.2
129.06969	2.5
131.08554	9.4
133.06508	4.5
133.10139	8.5
135.08063	9.9
135.11667	5.1
137.09639	2.8
139.03851	2.1
143.08530	3.6
145.10141	7.4
147.08041	6.3
147.11671	6.4
149.09663	7.7
149.13240	2.5
151.07555	100.0
156.09424	2.4
157.10112	6.0
159.08061	2.5
159.11693	2.5
161.09601	3.0
162.21716	1.8
163.11140	4.2
171.11664	4.0
173.13268	6.7
174.10271	2.2
175.11169	4.5
175.40762	1.6
176.38991	1.5
177.09016	3.7
179.10703	5.0
181.12230	2.5
189.12767	25.9
191.10619	1.7
191.14352	8.5
192.11430	4.0
197.11728	13.1
207.13806	68.4
215.14354	3.5
231.17366	1.9
233.15375	27.4
249.18605	2.1
255.17438	3.8
273.18521	11.5
291.19556	64.1
291.22852	3.6
291.26801	3.8
303.33038	1.7
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	Tuberatolide A
Peak:m/z	Relative Intensity
53.03943	7.8
55.01879	9.4
55.05277	1.8
55.05515	29.2
57.03437	3.5
57.07076	11.7
59.04994	1.8
65.03923	4.1
67.05508	53.9
69.03416	5.9
69.07071	26.6
69.76296	6.2
71.04984	3.6
71.08658	1.3
73.06539	1.5
77.03938	2.0
79.05497	82.7
81.03415	3.7
81.07058	71.0
83.01318	2.0
83.04973	5.8
83.08622	12.3
85.06541	4.0
91.04908	2.3
91.05482	50.6
93.07047	100.0
95.04967	14.0
95.08608	44.5
97.06532	7.5
97.10166	5.5
98.21471	1.7
99.08114	1.9
103.05463	1.6
105.04509	2.2
105.07034	39.3
107.04961	10.1
107.08600	60.1
109.02869	2.0
109.06517	12.6
109.09473	1.9
109.10163	24.9
111.04472	3.0
111.08081	7.0
115.05396	1.5
116.06256	1.4
117.07025	11.8
119.04970	3.4
119.06054	1.7
119.08585	27.0
121.06544	14.9
121.10146	42.2
122.06794	2.8
123.04432	5.3
123.08083	8.3
123.11667	5.3
125.09607	2.4
128.06229	2.7
129.07004	8.1
131.08568	16.1
133.06496	9.9
133.10146	23.7
135.08092	8.4
135.11697	49.5
137.05957	4.3
137.09590	5.0
139.07516	4.6
142.07831	1.6
143.08580	7.3
145.06511	2.2
145.10153	12.1
145.96367	1.4
147.04410	10.9
147.08080	13.0
147.11694	12.0
149.09627	9.8
149.13268	25.1
151.11156	4.5
153.09061	1.7
157.10101	6.1
159.08104	2.8
159.11705	6.6
160.03873	1.3
161.09605	10.4
161.13254	8.7
163.11227	7.8
163.14825	7.6
165.09073	2.0
165.12772	2.1
169.10132	2.0
171.11684	7.1
173.09576	2.9
173.13251	2.4
175.11147	7.2
175.14821	5.2
177.12677	2.0
179.07005	5.1
179.10707	3.0
179.14323	1.5
181.12071	2.0
185.13239	3.7
189.12794	7.0
199.14761	2.8
203.10643	10.2
203.14436	1.7
207.13803	2.3
213.16368	2.9
217.12227	2.1
217.15834	2.2
217.19545	2.5
227.17929	3.6
235.13251	4.8
235.16916	2.6
237.16472	2.1
241.19542	2.5
245.18988	11.9
249.18439	3.2
255.17464	3.5
259.16925	2.8
259.20535	6.3
263.20081	10.9
273.18497	38.4
291.19519	82.3
291.23126	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01860	1.7
55.05274	0.5
55.05520	6.6
55.71681	0.4
57.03431	0.6
57.76342	0.4
59.05003	0.6
63.15502	0.4
65.03931	0.6
67.05511	4.6
69.03431	1.8
69.07075	3.6
70.01212	1.0
71.04984	1.0
72.20525	0.4
73.06580	0.4
79.05064	0.6
79.05499	7.5
81.03406	0.9
81.07059	7.2
83.04974	0.9
83.08634	3.3
91.05494	6.7
93.07047	5.6
95.04993	2.9
95.08617	2.9
97.06533	0.6
97.10174	2.6
98.21470	0.5
105.04562	0.5
105.07040	6.3
107.04966	2.6
107.08615	3.2
107.48022	0.4
109.06517	0.9
109.10169	1.8
111.08131	0.4
115.05464	0.7
116.06171	0.4
117.07039	3.0
119.04938	1.4
119.08598	4.4
121.06533	2.8
121.10161	1.6
123.08060	1.3
123.11709	0.6
125.09634	1.4
129.07022	1.2
130.07787	0.8
131.08577	2.6
133.06490	3.3
133.10141	1.7
134.07268	1.4
135.08073	1.9
135.11688	0.8
137.09659	0.9
138.82745	0.4
143.08577	1.1
145.06525	0.7
145.10141	2.0
147.08052	4.2
147.11664	0.7
149.09653	1.3
152.91074	0.4
157.10150	0.8
161.09644	1.4
162.10384	1.1
163.11197	0.8
165.09151	0.9
171.11763	0.6
175.11171	0.7
197.26846	0.4
211.02849	0.9
223.13284	1.1
225.04187	0.6
227.02280	1.3
249.14926	2.5
261.14847	0.7
273.18542	4.0
291.19565	100.0
292.19965	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.20889	0.3
53.03936	0.8
55.01874	1.8
55.05519	6.6
57.03429	0.7
63.05106	0.4
65.03961	0.4
67.05510	4.0
68.98347	0.3
69.03426	1.0
69.07079	2.5
69.96082	0.7
69.96490	1.3
71.04993	0.6
79.05500	6.0
81.03423	0.9
81.07059	4.8
83.04971	1.1
83.08620	3.2
91.05492	5.4
93.07061	5.2
94.04205	0.4
95.04976	2.2
95.08614	2.5
97.10169	2.1
98.20770	0.5
105.07050	6.0
107.04959	2.3
107.08601	3.4
109.06527	0.9
109.10159	0.9
116.06258	0.5
117.07001	2.0
119.04957	1.4
119.08592	4.6
120.05721	0.6
121.06519	1.9
121.10127	1.4
123.08083	0.6
125.09636	1.3
129.07016	1.3
130.07825	0.6
131.08594	2.6
133.06502	4.0
133.10114	1.4
134.07291	0.7
135.08041	1.1
143.08546	0.9
145.10129	1.7
147.08073	3.1
149.09607	1.4
157.10138	0.8
159.11655	1.0
161.09598	1.0
162.10405	0.9
163.11217	0.6
171.11771	0.5
175.11151	0.6
189.12747	0.4
223.13319	0.9
225.75714	0.4
249.14949	1.9
261.15076	0.4
262.15768	0.6
273.18582	2.6
291.19562	100.0
292.19943	1.1
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	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03939	1.3
55.01859	3.1
55.05516	5.4
57.07076	4.6
59.04998	2.8
67.05513	6.1
69.03420	2.4
69.07063	2.5
69.85352	3.6
70.06576	2.9
71.04987	3.1
73.79495	0.7
79.05486	6.9
81.03404	0.8
81.07057	11.3
83.04988	2.1
83.08647	4.4
85.06524	1.8
88.07613	2.6
91.05484	8.6
92.80228	0.7
93.07050	10.8
95.04977	3.7
95.08611	14.1
97.06525	3.5
98.20885	0.9
102.09172	2.0
105.07036	10.3
107.04949	4.8
107.08604	7.3
108.05748	1.1
109.06528	7.3
109.10162	4.4
111.04410	1.1
111.08087	23.9
113.06009	1.0
113.09650	1.5
117.07002	3.0
119.08584	10.1
121.06499	6.8
121.10150	5.2
122.06854	2.7
123.04432	0.8
123.08076	36.2
123.11706	1.0
127.05759	0.8
128.06357	1.0
129.07021	2.2
130.07822	0.9
131.08583	6.4
133.06508	4.2
133.10138	7.2
135.08072	6.0
135.11671	4.9
137.09599	3.1
139.11137	0.9
141.05502	1.2
143.08574	2.4
145.10129	14.8
147.08054	3.3
147.11711	5.6
149.09630	6.1
151.07550	100.0
153.01736	1.0
153.09158	1.1
155.10580	1.1
156.09315	2.1
157.10138	4.6
159.08032	1.8
159.11691	4.1
161.09607	5.5
161.13258	2.3
163.11194	3.8
169.10063	1.2
171.11725	3.5
173.09622	1.6
173.13252	4.7
174.10442	2.5
175.11249	4.0
177.09148	3.1
177.12730	1.6
179.10703	4.5
181.12328	1.2
185.13260	1.3
187.11208	2.9
189.12761	26.7
191.10605	1.1
191.14287	4.4
192.11472	4.7
197.11729	16.2
197.13272	1.2
203.14243	1.5
207.13814	64.2
213.16380	2.1
215.14308	3.7
217.12238	3.5
223.94757	0.8
229.23582	5.3
231.17331	1.9
233.15375	12.4
235.13380	1.1
237.16327	1.1
255.17442	2.5
273.18542	8.7
291.19577	49.2
291.27148	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	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03941	1.3
55.01887	3.0
55.05275	0.6
55.05517	8.4
57.03429	1.0
65.03919	0.8
67.05175	0.6
67.05507	7.7
69.03419	1.3
69.07071	4.1
70.75485	1.0
70.75841	0.5
71.04999	1.1
79.05499	11.4
81.03413	1.5
81.07065	9.2
83.04992	1.2
83.08633	4.1
85.06513	0.5
89.17795	0.5
91.05499	9.3
93.07056	7.4
94.70787	0.4
95.04971	4.1
95.08612	4.7
97.06515	1.0
97.10190	3.5
105.03328	0.4
105.07040	7.9
107.04965	3.9
107.08606	5.9
109.06522	1.5
109.10167	1.5
111.08067	0.5
115.05505	0.7
116.06219	0.6
117.07023	4.6
119.04935	2.3
119.08598	7.4
120.05660	0.5
121.06532	4.6
121.10156	1.9
122.06847	1.7
123.08056	2.2
123.11738	0.6
125.09635	3.1
128.06192	0.8
129.07025	2.3
130.07784	0.8
131.08585	4.8
133.06497	3.3
133.10100	1.3
134.07277	1.2
135.08086	2.7
135.11641	0.7
137.09598	0.8
139.03879	0.8
143.08563	2.0
145.10161	3.9
147.08067	5.8
147.11664	1.0
149.09627	1.6
151.11237	0.5
157.10158	1.5
159.11717	1.2
161.09669	1.7
162.10446	0.9
163.11206	1.3
165.09094	0.7
169.10152	0.6
171.11658	0.6
175.11209	1.0
185.13301	0.7
187.19176	0.4
187.50980	0.5
189.11249	1.3
189.12746	0.6
195.11613	0.5
220.55121	0.5
223.13300	1.5
227.18076	0.6
227.53368	0.5
245.19032	0.9
249.14879	1.7
255.17384	0.7
261.14700	0.5
273.18500	7.6
291.19568	100.0
292.19852	1.3
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
53.03942	3.6
55.01630	1.2
55.01880	21.2
55.05513	11.0
57.03439	16.3
65.03951	1.9
66.22432	0.9
67.05179	1.6
67.05508	17.2
68.74561	0.8
69.03426	2.2
69.07059	4.7
71.04977	1.8
79.05498	40.4
81.03416	1.6
81.07067	15.7
83.08609	3.5
85.06541	3.5
91.05482	30.4
92.97431	0.7
93.07049	17.2
95.04977	4.8
95.08612	7.7
97.06525	1.9
97.10173	2.8
98.21147	5.3
105.04538	1.2
105.07040	15.7
107.04954	10.8
107.08603	23.4
109.06524	58.7
109.10149	1.7
111.08143	0.9
115.05443	3.1
116.06250	1.3
117.07031	13.2
119.04928	1.5
119.06107	1.9
119.08585	6.6
121.06495	3.5
121.10150	4.2
123.08067	2.8
125.09617	1.2
128.06268	1.4
129.07018	7.9
130.07817	1.6
131.08574	12.3
133.06503	2.1
133.10152	5.0
133.19295	0.9
135.08061	100.0
135.11694	3.7
141.07033	1.3
143.08566	6.3
145.10120	9.8
147.08064	4.7
147.11682	2.9
149.09630	7.1
149.13234	1.2
155.08598	1.3
157.10124	6.2
159.08044	2.6
159.11696	4.3
161.09677	9.4
163.11230	2.5
167.08493	1.2
171.11679	2.8
173.13184	2.3
175.11189	2.5
177.12772	1.5
183.11768	1.9
185.13261	1.7
187.14850	1.2
189.16426	1.3
195.13841	1.3
199.14777	5.0
201.12791	2.5
217.15868	19.0
219.13809	1.6
227.18013	1.0
228.93636	0.9
245.18988	1.8
255.17447	3.4
273.18500	19.1
291.19562	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	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03934	3.4
55.01874	16.3
55.05267	1.4
55.05511	16.8
56.05816	1.1
57.03434	6.8
57.07055	3.7
58.86462	0.8
59.04994	1.0
60.55508	1.0
65.03933	3.0
67.05506	30.8
69.03419	4.4
69.07070	11.1
71.04984	3.5
71.51077	1.0
71.51437	1.0
79.05494	38.2
81.03406	3.5
81.07064	31.1
83.04992	7.6
83.08633	8.6
85.06541	4.1
89.06017	1.7
91.05485	30.4
91.57503	1.0
93.06480	1.8
93.07045	28.8
95.04971	19.9
95.08612	20.0
97.06515	6.3
97.10161	4.4
103.05434	1.5
105.04514	1.3
105.07033	23.8
107.04945	10.4
107.08598	24.2
109.02887	1.0
109.06522	30.1
109.10175	6.1
111.04463	2.4
111.08075	3.5
115.05476	2.2
115.39040	0.9
117.07023	10.5
119.04948	2.0
119.06053	1.0
119.08597	16.1
121.06516	11.6
121.10130	8.4
121.18052	0.9
122.06855	2.9
123.04388	2.5
123.08070	8.9
123.11675	2.9
125.05978	2.7
125.09634	2.1
128.06239	2.6
129.07002	6.3
130.07788	1.4
131.08578	13.1
132.13545	1.0
133.06488	5.7
133.10138	12.3
134.07288	1.3
135.08060	40.4
135.11670	6.5
137.06004	1.7
137.09579	4.0
139.07545	3.3
141.09187	1.0
142.07822	1.5
143.08559	5.6
145.10133	10.0
147.08044	8.7
147.11681	7.4
149.09622	9.0
149.13243	1.4
151.07600	2.1
151.11128	3.2
153.09007	1.0
157.10130	6.4
158.10561	0.9
159.08060	2.0
159.11716	3.5
161.09637	7.8
161.13240	3.6
162.10367	1.1
163.11177	4.5
165.09128	3.8
165.12743	1.1
169.10187	1.1
171.11678	5.4
173.13298	1.8
175.11151	4.2
177.12766	1.7
179.10645	2.6
181.10094	1.3
183.11684	1.4
185.09532	1.5
185.13271	2.3
187.14728	1.3
189.12819	1.6
189.82626	1.2
193.10095	1.0
195.13762	1.8
199.11198	1.3
199.14859	2.0
201.12816	1.6
207.13866	0.9
213.16458	1.4
217.15918	8.3
227.17952	2.6
237.16260	2.3
245.19043	4.6
249.14795	3.2
249.18166	1.2
253.05077	1.0
255.17422	3.2
263.20105	4.6
273.18506	29.7
291.19531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03960	8.8
55.01875	22.9
55.05510	23.8
56.37394	1.7
57.03440	18.5
57.07073	2.1
57.45128	1.9
59.97734	1.7
60.89265	2.0
64.32928	1.9
65.03938	8.5
67.05507	78.6
69.03436	4.0
69.07071	14.6
70.13306	7.9
71.04995	3.7
79.05495	73.6
81.03416	5.6
81.07059	72.2
83.04971	8.9
83.08608	9.0
85.06549	2.8
87.98173	1.8
88.07610	3.2
91.05485	49.3
93.06477	3.2
93.07047	38.5
95.04976	100.0
95.08616	18.5
97.06532	7.7
97.10178	7.2
98.98458	2.4
103.05470	3.7
105.04516	1.9
105.06396	4.0
105.07039	39.5
107.04961	28.6
107.08603	29.4
109.06525	92.8
109.10155	6.4
111.08070	6.1
115.05473	6.4
116.06277	2.3
117.07023	22.0
119.04935	3.0
119.06025	2.2
119.08588	19.4
121.06516	22.2
121.10148	11.7
122.06835	7.7
123.04417	4.1
123.08079	8.5
125.09677	2.2
128.06226	3.8
129.07043	13.1
130.07840	2.2
131.08575	21.9
133.06500	6.5
133.10135	8.4
135.08060	85.5
135.11671	6.5
137.05972	3.0
139.03938	5.0
141.06889	2.6
143.08577	13.6
145.10135	16.2
147.04356	3.3
147.08066	10.1
147.11664	4.9
149.09607	11.4
149.13277	3.2
157.10150	8.7
159.08150	2.6
159.11699	7.7
161.09676	9.6
161.13304	2.4
163.11198	6.6
169.10188	2.0
171.11713	6.1
175.11218	2.4
177.12646	2.9
185.09627	2.2
185.13393	3.1
187.11176	4.3
189.12665	2.5
199.14876	3.8
205.12233	2.4
217.15878	11.7
223.13210	2.2
243.25186	5.7
245.19037	4.3
249.23456	2.2
255.17522	3.8
273.18518	40.3
291.19543	59.7
291.26920	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	291.0977
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
58.82343	1.7
69.70052	1.9
69.76521	1.9
69.96539	4.9
69.96939	3.3
115.05451	5.1
117.05737	2.1
118.06541	13.2
122.06895	2.8
130.06540	100.0
132.08105	36.3
142.06485	13.7
143.07272	3.1
144.08070	5.8
146.06026	18.8
156.08119	5.1
157.07605	6.9
158.08389	3.2
159.09193	92.6
160.07597	5.4
167.06058	1.9
169.07561	2.4
170.06026	37.3
170.41295	1.8
172.07504	2.1
181.07669	2.5
182.06207	2.0
183.09236	5.3
184.07568	16.2
185.07104	41.2
187.08675	4.5
188.07066	38.2
193.90010	1.8
199.08720	2.3
200.07059	7.9
201.10272	12.6
209.07198	2.9
227.08156	41.3
231.07553	2.5
245.09229	73.3
255.07745	3.5
273.08740	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	291.1956
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03932	4.7
55.01872	7.5
55.05268	1.8
55.05515	19.2
57.03424	3.3
58.46489	1.0
65.03938	2.4
67.05508	28.7
69.03422	3.1
69.07072	15.8
71.04993	3.2
71.51224	1.4
79.05497	31.1
81.03416	3.3
81.06588	2.2
81.07055	37.6
83.01331	1.5
83.04980	4.7
83.08625	8.1
85.02888	1.3
85.06545	2.5
91.05486	28.4
93.06477	2.1
93.07047	31.9
95.04984	9.2
95.08609	19.7
97.02872	1.7
97.06528	4.4
97.10163	4.3
98.29401	1.0
99.00383	1.0
105.04499	1.9
105.07034	22.7
107.04957	8.0
107.08598	18.8
109.06538	8.8
109.10159	12.0
111.04456	2.3
111.08093	5.3
115.01591	1.1
115.05473	1.2
117.06990	7.0
119.04970	2.3
119.08585	16.9
121.06513	14.4
121.10148	11.8
122.06836	2.0
123.04415	2.9
123.08086	5.6
123.11710	2.6
125.06017	2.9
125.09650	2.0
128.06247	2.1
129.07031	7.0
130.07823	2.0
131.08565	9.4
133.06525	8.3
133.10129	15.5
135.08055	8.5
135.11697	9.3
137.06001	2.0
137.09605	3.9
139.07570	5.0
143.08578	5.3
145.10104	10.5
147.08066	10.1
147.11728	5.9
149.09625	8.5
149.13293	2.4
151.07553	2.0
151.11189	4.1
157.10118	4.4
159.08083	1.4
159.11703	4.8
161.09622	8.9
161.13257	3.9
163.11185	3.4
165.09132	2.9
171.11713	7.0
173.09662	2.0
173.13252	1.4
175.11217	4.2
177.12781	1.9
179.10757	1.8
179.14548	1.1
180.69206	1.2
183.11700	1.3
185.13280	2.9
189.12756	3.7
199.11140	2.7
199.14848	1.9
200.00360	1.0
201.12752	1.3
203.14336	3.0
207.13742	1.8
217.15860	1.3
227.17970	2.6
231.17502	1.6
235.13316	1.3
237.16386	1.9
245.19026	7.8
249.14818	1.6
249.18529	1.8
255.17401	4.9
263.20105	10.8
273.18518	37.2
291.19577	100.0
291.22638	3.5
292.19995	1.2
292.72501	1.0
312.10883	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0866
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
53.03936	0.7
53.70620	0.6
55.01871	2.1
57.15868	0.6
65.03931	1.2
67.05503	1.3
68.99798	1.9
69.03403	0.6
70.00674	2.7
70.57407	0.6
74.91533	0.6
77.03901	0.6
83.04984	0.8
87.07370	0.6
91.05463	3.4
92.05809	1.5
92.56881	0.7
93.07047	2.9
94.07376	3.1
95.04977	3.9
96.85075	0.6
97.02884	0.9
103.05441	2.1
104.05826	1.8
105.07001	0.8
111.04433	2.9
115.05479	1.7
116.57426	0.8
119.04961	5.8
121.06515	52.3
122.06847	54.4
123.04436	66.8
124.04758	0.8
126.99493	0.8
127.03922	1.4
133.06535	1.1
135.04437	1.3
137.02303	1.2
139.03911	100.0
140.04262	0.9
143.04918	2.9
147.03247	1.1
147.04419	20.3
151.03915	1.6
153.01859	10.8
153.03023	1.5
154.02187	8.3
161.06010	7.7
163.03891	1.6
165.05493	14.3
166.05849	1.1
169.04997	1.2
177.05464	0.8
179.07072	3.2
181.04942	1.1
182.70248	0.9
189.05508	2.6
199.07352	0.7
207.06544	6.3
226.28938	0.7
249.07619	1.1
273.07770	1.1
274.07971	2.5
291.08377	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	291.0864
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02366	0.4
53.03944	0.6
53.08521	0.3
55.01864	1.5
64.91982	0.3
65.03936	1.2
67.01848	0.3
67.05499	1.0
68.99787	1.9
69.03435	0.5
70.18286	1.3
72.09942	0.3
77.03910	0.4
81.03428	0.5
83.04983	1.5
83.28996	0.3
85.02900	0.7
91.05493	2.3
93.03398	1.4
93.07044	0.9
94.07369	0.4
94.36467	0.3
95.04950	2.6
95.44303	0.3
97.02895	0.9
105.03406	0.6
105.07018	0.3
107.04981	0.7
109.02872	0.4
111.00803	0.3
111.04459	3.3
115.05467	1.2
119.04944	6.3
121.02878	0.3
121.06515	7.2
122.06839	7.7
123.04433	64.4
124.04784	0.6
127.03923	1.2
131.04979	0.6
133.06493	1.3
135.04430	0.6
137.02368	1.0
137.05992	0.5
139.03905	100.0
140.04228	0.8
141.04439	0.5
143.04929	2.6
147.04414	20.7
151.03925	1.9
151.07512	0.5
153.01845	2.2
153.05544	0.6
154.02200	1.0
159.04414	0.4
159.48792	0.3
161.05983	8.3
161.07278	0.6
163.03920	1.8
165.05481	13.9
166.05818	0.4
169.04994	1.2
177.05382	0.8
179.06987	2.5
181.04942	0.9
189.05435	2.0
207.06529	6.4
249.07628	0.9
273.07605	1.4
274.07913	0.4
291.08530	4.6
291.13452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1023
Annotation	Halfordinine
Peak:m/z	Relative Intensity
53.03944	0.6
53.23417	0.2
66.45485	0.2
70.13265	0.6
70.13658	0.4
75.57946	0.2
77.03922	0.3
79.01859	1.2
80.35342	0.2
91.05489	3.8
93.07053	5.7
95.04989	0.5
97.02935	0.3
103.05486	3.1
120.73051	0.2
121.06514	100.0
122.06846	0.3
125.02392	0.6
129.51520	0.2
143.03397	1.7
147.04401	0.7
153.01845	19.8
153.02922	1.3
165.05515	3.2
234.25308	0.2
272.27454	0.2
273.07617	3.4
290.10242	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1025
Annotation	Halfordinine
Peak:m/z	Relative Intensity
52.70162	0.1
53.03951	0.7
54.25041	0.1
55.01870	0.2
58.06591	0.4
70.06594	0.5
70.55111	0.4
71.47251	0.1
77.03918	0.2
78.37617	0.2
79.01845	0.9
81.03420	0.1
82.06587	0.3
84.08161	0.2
85.02911	0.2
91.05489	2.8
93.07050	5.8
93.07644	0.3
95.04973	0.4
96.37883	0.2
97.02899	0.4
98.97579	0.2
101.00883	0.5
102.00995	0.3
103.05476	3.4
105.04517	0.3
107.01312	0.3
110.41377	0.1
116.02523	0.2
119.01911	0.4
120.02045	0.6
121.06512	100.0
122.06841	0.7
125.02374	0.8
128.07083	0.3
128.25833	0.2
133.03485	0.2
134.03537	0.3
137.06041	0.1
139.03899	0.5
140.04239	0.2
143.03403	1.4
143.21317	0.2
144.01993	0.2
153.01840	19.5
153.02928	1.3
157.03487	0.3
161.02928	0.2
162.03072	0.3
169.99989	0.2
175.04512	0.2
175.11966	0.2
188.01070	0.2
195.01534	0.2
207.40790	0.1
216.00537	0.2
218.02063	0.2
230.02095	0.3
230.11256	0.2
248.03304	0.2
273.07605	1.1
290.07349	0.3
290.09888	0.7
290.12894	0.2
291.08762	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03949	1.1
53.06113	0.7
55.01878	0.8
55.05240	0.7
55.05513	14.2
57.07066	1.4
59.05000	2.0
67.05506	16.2
69.03388	0.9
69.07072	10.7
69.73891	3.6
70.28261	0.6
71.04987	1.1
73.06548	1.6
79.05499	16.0
81.07065	19.2
83.04983	1.2
83.08614	4.6
85.06550	4.3
87.08105	0.8
87.74888	0.7
91.05486	46.8
93.07047	15.6
95.04974	1.7
95.08064	1.1
95.08615	13.5
97.06523	1.6
97.10175	1.7
98.21485	1.6
99.08076	1.0
101.09592	0.7
103.05463	2.0
104.06310	0.7
105.07039	62.8
106.58234	0.7
107.08594	10.3
109.06561	1.0
109.10165	5.4
115.05440	1.0
115.07596	0.7
116.06290	1.0
117.07027	13.0
118.07828	1.0
119.08587	45.0
121.06513	2.2
121.10149	6.3
123.08089	0.8
125.09623	0.8
129.07071	3.4
130.07756	0.9
131.08580	20.8
132.09285	1.1
133.10138	39.8
135.08043	1.5
135.11700	2.9
137.09662	1.1
139.03885	1.1
141.07024	1.7
142.72820	0.8
143.08574	2.8
145.10115	16.8
147.11697	24.2
149.09650	1.8
149.13324	1.4
155.08539	2.6
157.10136	3.7
159.11722	13.5
161.09625	1.0
161.13255	11.8
163.11209	1.7
169.10136	3.2
171.11656	4.6
173.09645	0.9
173.13268	12.8
175.14763	1.9
177.12791	0.8
183.11687	3.2
185.13202	1.5
187.11183	1.8
187.14772	1.9
197.13237	2.5
201.12753	1.6
207.66570	0.7
211.14838	1.1
213.16356	2.3
215.14359	1.3
215.17932	4.1
229.15840	1.2
229.19534	1.5
239.17986	5.1
247.16940	0.8
257.19019	12.9
289.21634	100.0
290.21906	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2164
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
51.02360	1.1
53.03952	2.4
55.01873	2.0
55.05272	1.3
55.05516	18.3
57.03435	1.6
57.07074	2.5
59.04988	1.9
60.56916	1.0
65.03934	3.2
67.05513	19.1
68.60851	1.0
69.07078	12.7
70.06600	1.3
71.04985	1.6
71.35577	1.8
72.47987	1.1
73.06554	1.3
73.58626	1.0
79.05069	1.6
79.05498	20.2
79.05947	0.9
81.03391	1.7
81.07058	22.8
83.04967	3.0
83.08623	8.9
85.06563	5.0
91.05486	54.8
93.07055	17.4
95.04976	2.0
95.08613	15.4
97.06529	1.4
97.10161	5.1
103.05472	3.1
105.04537	1.2
105.07036	78.7
107.04964	1.8
107.08582	9.7
109.06498	1.8
109.10145	5.9
111.04452	2.6
115.05452	1.7
117.07024	14.6
119.08587	47.1
121.06535	9.3
121.10152	6.5
123.08072	2.3
123.11712	1.4
125.09610	3.5
127.03869	1.7
129.07013	3.4
131.08583	19.0
133.06546	1.8
133.10139	52.7
135.04405	3.1
135.08060	2.3
135.11708	2.5
137.09601	1.4
139.03914	11.5
141.06932	1.9
143.08565	4.9
145.10129	29.3
146.10825	1.0
147.11694	36.2
149.09627	2.1
151.03906	1.8
153.01752	1.8
155.08511	2.3
157.10114	3.3
159.11694	16.1
161.09642	2.7
161.13277	7.6
163.03941	1.6
163.11157	3.0
169.10168	3.5
171.11736	6.3
173.13268	10.7
177.12743	1.1
183.11681	4.7
185.13205	2.2
187.11113	2.9
187.14888	1.8
197.13315	5.5
201.12831	1.8
205.04994	1.5
207.13890	1.2
211.14830	1.6
215.14465	1.3
215.17934	2.4
229.19368	1.4
239.17926	8.5
257.19022	22.6
261.18466	1.2
272.06412	1.2
289.03323	1.5
289.06647	1.9
289.21625	100.0
289.29141	8.7
290.21878	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	Pipataline
Peak:m/z	Relative Intensity
50.49298	1.0
53.03943	1.3
54.34709	1.1
55.05513	16.0
62.63283	1.0
67.05503	18.3
69.07079	12.8
70.64157	3.2
73.06555	1.9
79.05502	17.5
80.86813	1.0
81.07066	21.1
83.08617	6.0
85.06544	4.5
91.05486	58.7
93.07037	15.8
95.08611	14.4
97.06551	2.0
97.10169	2.4
99.08080	1.6
103.05460	1.8
105.07037	71.2
107.08591	11.2
109.10155	5.2
111.08073	1.9
117.07015	12.4
119.08585	49.5
121.06419	1.3
121.10152	6.3
123.11699	1.2
129.07013	4.9
131.08582	20.0
133.10136	50.7
135.08040	1.8
135.11707	2.5
141.07068	1.3
143.08521	3.2
145.10132	19.3
147.11703	26.4
155.08614	2.4
157.10156	4.6
159.07979	1.4
159.11708	15.8
161.09625	1.2
161.13258	11.6
169.10138	2.4
171.11703	6.9
173.09662	1.5
173.13258	15.0
175.11200	2.0
175.14731	1.9
177.12836	1.5
183.11716	2.8
185.13235	1.3
187.11276	1.5
187.14885	1.6
192.09911	1.3
197.13249	2.5
201.12704	2.9
211.14886	2.3
213.16315	2.3
215.17970	4.6
229.19530	1.7
239.17961	6.6
257.19031	14.9
289.21640	100.0
290.21857	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79974	0.8
53.00296	0.9
53.03951	2.2
55.01886	1.2
55.05278	1.5
55.05514	22.5
56.33223	0.8
57.03427	0.9
57.07063	2.1
59.04992	1.4
61.14191	0.9
65.03931	2.8
67.05509	18.7
67.91235	0.9
69.07076	13.0
70.06557	1.2
71.04991	1.4
71.51415	1.5
72.24196	1.0
73.06547	1.5
77.03916	1.2
79.05492	20.7
81.07064	24.5
83.04980	1.3
83.08635	8.4
85.06552	5.1
88.07611	1.5
91.05487	53.8
93.07047	17.8
95.04977	2.8
95.08617	16.5
97.06522	1.5
97.10187	4.9
101.06014	1.0
103.05473	2.9
105.07037	95.9
107.04935	1.3
107.08598	11.6
108.05194	1.3
109.06512	1.5
109.10139	5.9
111.08038	1.7
117.07021	11.7
119.08588	52.0
121.06509	10.6
121.10165	5.7
123.04414	1.3
123.08114	1.3
125.09626	4.2
129.07010	3.6
131.08582	24.6
133.10141	52.1
135.04474	2.5
135.08034	1.9
135.11696	3.9
137.09613	1.6
139.03909	13.5
141.06992	1.5
143.08569	4.7
145.10135	36.3
147.08031	1.4
147.10493	1.9
147.11696	38.8
149.09584	2.5
149.13182	1.6
151.03914	1.5
153.01852	1.5
155.08588	2.2
157.10104	5.3
159.11710	14.7
160.12447	1.2
161.09610	1.3
161.13277	6.7
163.03955	2.3
169.10153	2.8
171.11696	8.5
173.13275	10.4
175.11176	1.9
175.14798	1.9
183.11694	5.8
184.17596	1.1
185.13239	1.5
187.11131	1.9
187.14890	1.5
189.12790	1.2
197.13275	3.5
201.12775	2.8
205.04907	1.2
211.14804	2.7
213.16420	1.6
215.14293	1.1
215.17946	4.4
221.07149	1.2
229.15845	1.5
229.19510	1.7
239.17999	10.0
239.20233	1.5
257.19006	25.9
271.06049	1.4
289.06537	4.9
289.18518	3.7
289.21634	100.0
289.29092	7.0
290.22076	1.1
292.00870	1.0
304.05652	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
50.77915	1.3
53.03951	2.3
54.26711	1.4
55.01871	2.6
55.05514	23.7
57.92233	1.3
59.05000	3.2
63.91046	1.3
65.03919	1.5
67.05506	21.9
69.07072	16.9
70.12752	4.9
70.13152	2.9
73.06545	2.5
79.05060	1.9
79.05496	21.4
81.07059	27.0
83.04969	3.2
83.08631	10.9
85.06532	2.1
91.05484	50.3
93.07040	20.3
95.04986	2.5
95.08620	19.3
97.06517	2.3
97.10152	5.2
103.05481	2.4
105.07034	80.2
107.04958	1.7
107.08598	13.5
109.06497	3.4
109.10132	6.0
111.08083	2.0
117.07034	14.7
119.08583	56.9
121.06518	9.8
121.10162	6.8
125.09668	2.3
129.07001	4.4
130.58191	1.2
131.08580	21.9
133.06601	1.5
133.10136	38.9
135.08049	5.8
135.11641	3.0
139.03886	4.7
141.06956	1.8
143.08546	5.0
145.10127	34.7
147.08066	1.9
147.11696	37.3
149.09610	2.6
149.13197	1.7
155.08609	2.0
157.10106	6.7
159.11688	21.5
161.09615	2.0
161.13257	15.9
163.11194	4.6
169.10181	3.4
171.11710	8.1
173.13281	14.2
175.14786	2.6
177.12784	5.6
183.11690	4.7
185.13138	2.0
187.11159	3.4
197.13225	4.6
211.14828	1.7
211.97871	1.4
213.16418	2.0
215.14310	2.7
215.17955	2.8
229.16093	1.8
239.17993	12.5
257.19022	23.7
261.22141	3.5
271.20700	2.5
289.06891	1.5
289.18372	4.5
289.21619	100.0
290.22003	1.8
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
53.03942	2.3
53.57432	0.8
53.93389	0.9
54.42383	1.0
55.01858	1.1
55.05268	1.3
55.05511	17.5
57.07073	1.4
59.04996	1.0
61.37041	1.0
67.05506	18.2
69.06736	1.3
69.07072	14.7
69.81940	5.5
71.05016	1.2
73.06567	1.2
79.05073	1.4
79.05497	19.6
81.07061	23.1
83.05008	1.2
83.08632	6.4
85.06550	2.7
87.04446	1.0
91.05487	51.6
93.07042	17.7
95.04984	2.6
95.08610	15.0
97.06509	2.4
97.10147	1.4
103.05453	2.4
105.07035	75.2
107.08601	11.5
109.06529	2.2
109.10152	6.3
111.08050	1.0
115.05471	1.5
117.07027	15.1
119.08588	52.5
121.06548	1.9
121.10162	7.0
123.08099	1.1
127.16267	0.8
129.06992	3.7
131.08568	21.8
132.09360	1.4
133.10138	53.8
135.08090	2.2
135.11693	3.5
139.03923	2.3
141.06993	2.0
143.08543	4.3
144.82512	1.0
145.10141	18.5
146.10844	1.4
147.11702	23.8
149.09590	1.8
155.08556	1.5
157.10181	5.4
159.11697	15.3
161.09669	1.9
161.13286	11.3
169.10110	4.2
171.11671	5.4
173.13278	13.3
175.11198	1.9
175.14853	1.6
183.11653	2.4
185.13324	2.5
187.11165	1.9
187.14729	1.2
197.13292	1.9
198.36209	1.1
201.12775	2.1
202.31938	1.0
211.14786	1.5
213.16341	2.3
215.18019	5.1
229.16063	1.2
229.19536	2.1
239.17897	6.2
257.19040	15.1
289.21628	100.0
290.22177	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.05499	3.3
57.03426	1.4
59.04991	4.5
60.04972	1.2
61.02937	9.6
65.03919	1.3
65.87572	1.1
67.53909	1.1
68.05019	3.2
69.03417	1.4
70.17124	4.1
71.04996	9.7
74.65437	1.3
79.05483	4.7
81.04542	14.5
81.07063	20.0
82.05324	6.5
82.16640	1.3
83.06091	3.3
84.04488	1.7
87.08111	2.9
90.78755	1.1
91.05486	1.5
93.07038	3.6
95.06102	28.6
111.05571	67.6
118.47176	1.1
121.02901	1.3
121.06515	56.8
123.05562	69.3
125.02299	1.5
127.03914	13.5
139.03915	52.0
141.06598	97.2
151.03899	1.7
153.01833	15.6
163.03902	3.0
163.12268	6.1
165.05504	1.3
187.05371	1.1
205.04945	1.7
209.12823	6.0
221.12880	17.2
223.14618	1.2
238.55327	1.6
239.11517	2.2
239.13919	33.6
241.15497	13.2
250.65468	1.4
253.15440	2.3
271.16544	100.0
275.09433	1.2
289.06848	3.5
289.12778	9.3
289.17621	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	289.1799
Annotation	Dicranenone A
Peak:m/z	Relative Intensity
53.03946	5.6
55.01875	10.6
55.05513	41.9
55.88733	1.6
57.03437	29.9
59.04994	3.6
65.03934	6.2
67.05506	56.7
69.03425	4.7
69.07070	24.9
71.04988	2.6
73.06553	2.6
79.05495	55.0
81.03408	3.7
81.07056	53.0
83.04988	44.3
83.08627	8.9
84.90176	1.5
85.06542	9.9
91.05484	93.9
93.07049	55.5
93.86957	1.9
95.04949	11.8
95.08609	38.1
97.02917	1.4
97.06534	7.2
97.10157	5.7
99.04469	12.6
101.06057	2.0
102.94183	1.5
103.05465	4.9
104.06284	1.7
105.04535	2.9
105.07037	100.0
107.04305	2.4
107.04967	31.7
107.05677	1.3
107.08595	26.5
109.06522	21.2
109.10162	12.3
111.04436	15.1
111.08067	6.0
113.05981	1.9
115.05478	4.3
115.07568	1.8
116.06224	1.5
117.07018	30.2
118.07768	1.6
119.04922	3.2
119.08587	75.0
121.06522	14.9
121.10155	18.4
121.19704	1.7
123.04420	4.7
123.08071	7.5
123.11677	2.4
125.05968	12.1
125.09622	1.9
128.06242	7.6
129.07002	16.3
130.07797	3.3
131.04892	1.6
131.08572	43.7
133.06483	16.6
133.10135	54.4
135.04437	2.6
135.08075	18.8
135.11684	11.1
137.05972	4.9
137.09619	4.9
139.03888	8.9
139.07516	2.4
141.07002	7.9
142.07840	2.8
143.08543	11.2
145.06493	7.9
145.10127	36.5
147.08054	16.4
147.11687	29.8
149.05986	7.3
149.09631	8.8
149.13240	5.3
151.03882	1.9
151.07532	6.8
153.01884	2.2
155.08582	8.5
157.10132	12.4
159.08061	18.6
159.11690	28.5
161.09631	16.0
161.13242	19.2
163.07579	4.1
163.11186	6.6
167.10760	1.7
169.10130	10.3
171.11696	13.6
173.09651	9.2
173.13263	23.5
175.11209	9.1
175.14879	3.3
177.09076	6.0
177.12718	12.6
178.13419	2.9
181.10072	1.6
183.11737	8.3
185.09630	1.8
185.13168	2.3
187.11172	7.8
187.14790	7.0
189.12785	3.5
193.12256	1.8
197.13301	11.2
199.11211	2.5
201.09071	2.6
201.12798	4.5
201.16331	2.3
205.12196	1.9
205.15839	8.8
211.14813	2.9
213.16429	2.2
215.14339	9.1
215.18001	8.3
217.12190	3.1
225.16313	3.8
229.15939	2.8
233.15369	25.3
239.17993	10.4
243.17464	11.4
253.16078	3.5
257.19061	16.2
261.18512	22.4
271.16946	20.2
289.18002	90.0
289.21600	95.9
289.25012	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	289.0707
Annotation	phenoxy radical VI
Peak:m/z	Relative Intensity
50.27641	0.3
53.00304	1.6
53.19894	0.2
65.03941	2.3
68.99799	2.0
69.23347	2.1
69.23769	0.7
78.97088	0.3
79.05494	0.6
91.05487	0.4
93.03405	0.6
93.07044	0.6
106.92617	0.3
107.04949	0.5
111.00809	3.3
111.04453	0.5
117.03408	0.5
121.02885	3.3
121.06509	2.3
123.04443	2.1
127.03912	0.8
131.04916	0.4
133.02809	0.5
133.06546	0.4
135.04369	1.4
136.07597	0.3
139.03906	100.0
140.04272	0.6
146.03629	0.5
149.05978	1.3
151.03920	4.8
153.01854	1.2
159.04446	0.4
161.05991	0.7
163.03922	11.0
164.04680	0.5
177.05463	1.2
179.03459	1.3
179.06998	2.2
197.05986	0.8
201.05170	0.3
203.07008	0.3
205.04985	9.3
215.07007	0.5
225.05484	0.3
229.04970	0.7
243.06656	0.3
247.06131	0.7
261.03949	0.7
261.07257	0.3
271.05954	0.9
289.07077	16.9
289.15619	0.6
293.90155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1548
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
53.03943	0.7
55.05500	2.0
57.07071	0.9
57.24514	0.5
65.03945	1.5
67.05509	2.3
68.99776	1.6
69.03432	1.0
69.07060	1.8
70.00134	0.4
71.05006	0.5
79.05481	2.7
80.04974	0.5
81.05782	0.6
81.07063	5.0
83.04990	0.6
83.08638	0.6
85.02893	0.5
91.05481	7.2
91.21207	0.4
92.06276	0.6
93.07042	3.2
94.06577	2.3
95.05025	0.9
95.08597	4.9
95.80341	0.5
96.08128	2.1
97.68776	0.4
103.05481	0.9
104.04988	0.6
105.05782	0.8
105.07049	2.1
106.06553	2.0
107.04952	1.4
107.08590	2.2
108.04469	0.8
108.08131	1.1
109.06548	0.7
109.10163	2.1
110.06033	0.7
111.00800	2.2
113.27260	0.4
116.04949	1.4
117.05773	1.5
118.06554	6.6
119.04934	0.7
119.07284	0.9
119.08612	2.5
120.08115	12.8
120.65559	0.5
121.02854	1.2
121.06510	4.5
121.10119	2.1
122.09669	1.0
123.04465	1.1
123.11700	1.0
124.06725	0.7
124.07600	10.6
125.09635	0.5
126.09219	0.6
127.03912	1.0
131.08589	0.7
133.02921	0.6
133.10147	1.6
134.06026	6.0
135.04428	1.6
135.08057	0.6
135.11732	0.8
136.07576	7.5
137.05977	0.8
137.09624	0.7
137.13298	0.8
138.05493	2.5
138.09105	0.9
139.03911	26.8
140.04237	0.7
143.08549	0.8
145.10139	1.5
146.06015	5.7
147.06786	2.2
147.07957	0.8
147.11700	1.8
148.07581	11.8
149.06018	1.0
149.09610	0.7
149.13271	0.6
150.09128	1.0
151.03925	2.5
151.07451	0.7
152.07068	0.6
153.01834	2.4
157.10078	0.5
159.04419	0.8
159.08072	0.9
159.11713	0.8
161.05965	0.5
161.09724	0.7
161.13266	0.9
163.03929	6.4
164.07076	100.0
165.07755	1.2
166.08652	2.2
170.09703	0.6
173.13284	0.7
179.03439	1.0
179.07007	1.8
181.06387	0.5
200.10712	0.8
205.04985	3.9
214.11089	0.8
215.15477	1.2
216.10234	2.5
223.61249	0.6
229.13307	1.5
243.14984	5.6
245.16487	1.8
247.05936	0.5
253.13458	1.2
254.11838	0.7
271.14429	23.0
289.07007	10.4
289.15463	71.2
289.21762	2.0
289.25229	2.6
290.15790	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
53.00312	1.4
53.03943	0.6
55.50240	0.4
60.07825	0.4
65.03946	2.6
67.01887	0.9
67.05507	0.6
68.99795	3.1
69.03437	0.8
69.88846	1.1
69.89255	0.9
72.08141	0.4
79.05499	1.4
81.03436	0.5
81.07057	0.5
84.08147	1.3
84.55481	0.4
85.02913	1.1
91.05496	2.9
93.03396	0.8
93.07022	2.2
95.01348	0.6
95.04962	1.4
96.04526	0.4
97.02905	0.6
97.53202	0.4
98.06015	0.5
103.05468	1.9
107.04957	8.8
107.08556	0.5
111.00811	2.9
111.04442	1.5
113.02345	0.7
115.05433	0.5
117.03319	0.4
121.02888	4.0
121.06508	38.8
123.04429	4.5
125.09672	0.5
127.03928	3.8
130.06512	0.8
131.04918	0.5
132.08391	0.8
133.02878	0.7
133.06512	0.5
135.04416	6.1
139.03905	100.0
140.04193	0.4
141.06973	1.1
145.06540	0.5
149.02353	7.1
149.05981	1.9
151.03911	6.5
153.01839	20.0
155.71461	0.4
157.06474	0.4
157.07617	0.7
159.04399	1.2
161.05954	1.0
163.03917	12.9
165.05531	1.0
167.03384	1.3
169.06436	1.0
171.02872	1.5
173.05978	1.2
177.05513	1.5
179.03415	1.9
179.07004	2.4
185.06056	0.5
187.07518	0.6
195.02930	1.0
197.05951	0.9
199.08778	0.6
200.16457	0.8
201.05418	2.2
205.04970	9.7
208.56502	0.4
213.05603	0.5
215.07048	5.6
216.07411	0.4
229.05019	1.0
231.06543	0.6
243.06509	5.2
247.05870	0.6
247.55345	0.4
261.07651	0.5
271.06003	4.2
271.10773	1.2
272.06345	2.7
272.22247	0.7
273.07507	0.6
289.07053	16.8
289.11954	2.6
289.15500	3.1
289.24713	0.6
311.34863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0709
Annotation	5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
53.03917	0.8
55.01859	0.6
55.05484	1.6
57.07052	0.6
65.03917	1.0
67.01871	3.5
67.05508	2.6
68.99799	3.7
69.03432	2.5
69.07074	3.4
71.50970	0.8
79.05501	3.3
81.03407	1.4
81.06669	0.7
81.07066	8.0
83.01380	0.5
83.04967	0.7
83.08599	1.0
85.06523	0.9
89.03510	0.4
89.03917	4.6
91.05487	2.6
93.03381	1.0
93.07054	4.4
95.04950	1.1
95.08611	4.6
97.02868	1.4
97.06511	0.8
103.05458	0.7
105.07042	3.5
107.04978	3.8
107.08595	3.7
109.06535	0.6
109.10149	3.7
111.00805	5.4
111.04439	3.0
111.08087	0.7
117.03384	8.5
119.08585	4.2
121.06505	2.6
121.10142	2.9
123.04439	5.0
123.11691	1.7
127.03928	0.8
129.06999	0.6
131.08603	1.0
133.10139	2.1
135.04428	16.3
135.08070	1.1
135.11681	1.4
136.04817	0.5
137.05988	1.2
137.09651	0.7
137.13274	0.9
139.03914	23.6
143.08560	0.7
145.02863	11.4
145.04004	0.7
145.06509	0.6
145.10129	1.9
147.11734	1.6
148.70474	0.5
149.02393	0.9
149.05995	1.2
149.09694	0.6
149.13268	1.8
151.03900	3.5
153.01840	100.0
154.02214	1.4
155.02315	2.0
159.04411	1.5
159.08127	1.0
159.11732	1.4
159.73033	0.5
161.06003	1.8
161.13264	1.2
163.03918	63.0
163.14830	0.9
165.09064	1.0
171.02954	3.4
173.05934	0.6
173.10840	0.7
173.13312	1.1
175.14842	0.7
177.05481	1.1
179.03418	6.5
179.07066	0.6
183.11771	0.6
187.03972	2.2
187.14807	0.7
189.12776	0.5
189.16425	1.1
205.05013	5.0
210.02034	1.0
229.05029	1.1
229.13432	6.0
231.11324	0.8
243.06076	0.7
243.11310	1.9
243.15047	1.9
245.16501	1.3
247.06001	1.1
253.04866	0.9
271.06052	2.8
271.14462	7.4
271.17010	0.5
271.24243	0.6
273.12488	0.6
289.06943	96.0
289.15466	14.0
289.18167	1.0
289.21817	1.6
289.25403	5.0
290.07123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0709
Annotation	phenoxy radical VI
Peak:m/z	Relative Intensity
53.00303	1.3
54.23894	0.4
65.03947	2.8
65.79060	0.4
68.99805	2.9
69.03419	0.5
71.42706	1.0
79.05502	0.9
85.02923	0.5
91.05441	0.6
93.03421	1.1
93.07012	0.8
95.04981	0.9
103.05472	0.6
107.04969	12.5
111.00799	2.9
111.04458	1.7
119.04961	0.4
121.02882	5.1
121.05677	0.6
121.06518	7.3
123.04417	2.2
127.03934	1.3
131.04901	0.5
133.02879	0.5
135.04398	2.8
139.03912	100.0
140.04219	0.7
141.07019	1.2
145.02756	0.5
147.08099	0.4
149.02353	14.3
149.05917	0.7
151.03932	5.3
153.01845	19.4
159.04369	0.5
161.05978	0.9
163.03918	13.0
167.03429	1.4
168.03853	0.5
169.03967	0.5
169.06544	1.8
173.89529	0.5
174.74146	0.5
177.05507	1.0
179.03432	1.3
179.07033	2.9
185.55823	0.4
187.03967	0.6
187.07451	0.8
195.02924	1.8
197.05991	2.2
201.05518	1.0
205.04967	7.8
215.07054	13.2
225.05466	0.8
229.04974	0.5
239.39148	0.5
243.06549	13.4
247.06113	1.1
253.04970	0.6
261.04132	0.8
261.07480	0.5
271.06024	5.6
272.06573	0.6
289.07101	18.4
289.16116	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	288.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
63.20152	0.2
65.03960	0.8
67.05508	1.1
68.99774	0.2
70.66201	0.4
85.02918	0.2
88.30633	0.1
91.05447	0.2
95.04980	0.5
108.02089	1.1
112.01530	0.2
121.06509	0.6
123.04385	0.3
136.01561	0.4
139.03896	0.7
141.05496	1.0
144.61862	0.2
151.03909	100.0
151.04971	5.9
152.04272	0.5
153.01855	0.2
172.09406	0.1
205.04951	0.2
270.09784	0.2
271.06180	0.3
271.09698	1.6
288.05875	1.9
288.12296	0.4
289.07028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
67.01865	1.5
68.99466	0.3
68.99796	1.4
71.42416	0.4
79.05504	0.3
87.35099	0.2
89.03909	0.8
107.04984	0.3
117.03378	0.6
123.78578	0.2
124.70395	0.2
129.01801	0.3
135.04434	4.0
137.02353	1.0
153.01834	11.5
161.02354	1.2
171.02890	0.6
179.03380	0.6
185.05942	0.4
203.03445	0.3
213.05415	0.6
241.05009	1.3
269.04422	1.0
283.96130	0.2
287.05508	100.0
288.05954	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
55.01864	0.3
63.21944	0.1
65.03937	0.4
67.01860	0.4
68.99447	0.2
68.99796	2.3
69.03412	0.4
69.22480	1.1
71.01344	0.1
78.66996	0.1
79.05497	0.6
81.03416	0.4
91.05477	0.3
93.03493	0.1
95.04928	0.2
97.02902	0.2
98.21621	0.2
103.05466	0.3
105.03393	1.0
107.04960	1.1
109.02868	0.7
111.00802	1.6
111.04424	0.4
115.05456	0.3
118.36754	0.1
119.04937	0.5
121.02876	6.9
121.03924	0.5
128.06195	0.2
129.06998	0.5
133.02882	0.8
135.04393	0.4
137.02348	2.3
139.05424	0.1
140.16933	0.1
141.06981	0.4
145.06499	0.6
147.04428	1.9
153.01834	11.0
157.06496	1.4
161.05988	0.5
163.03941	0.2
165.01834	3.9
167.03410	0.7
171.04422	0.7
173.06279	0.1
175.03983	0.2
183.02908	1.8
185.05981	1.5
189.05479	0.3
191.03336	0.1
197.05988	0.3
199.03891	0.2
199.62254	0.1
201.05415	0.2
203.03325	0.2
203.07066	0.5
213.05498	3.2
217.04977	0.2
229.04939	0.5
231.06535	1.2
241.04976	1.7
257.04602	0.2
258.05261	2.0
259.05899	0.7
269.04343	0.4
287.05508	100.0
288.05792	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.68547	0.2
57.28750	0.3
61.56762	0.3
65.03944	0.4
68.99790	2.2
70.24731	0.2
72.36007	0.3
79.05491	0.5
80.65539	0.2
81.03399	0.4
84.19701	0.2
84.59678	0.2
105.03401	1.0
107.04974	1.3
109.02885	0.6
110.19155	0.3
111.00812	1.2
115.05468	0.3
121.02874	6.5
121.03895	0.5
133.02852	0.8
137.02333	2.2
142.71622	0.3
145.06537	0.6
147.04387	1.4
152.51250	0.3
153.01845	10.3
155.06058	0.3
157.06529	1.4
165.01865	4.0
171.04402	0.4
181.03786	0.3
183.02902	1.4
185.05957	1.1
199.03917	0.3
213.05498	3.4
229.04840	0.4
231.06477	1.6
241.05028	1.4
258.05316	2.1
259.05991	0.7
266.01315	0.3
269.04355	0.4
287.05521	100.0
288.05878	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3105
Annotation	ES-285
Peak:m/z	Relative Intensity
55.05503	0.8
57.07080	11.4
58.06599	1.7
62.06094	6.5
67.05495	1.0
67.84687	0.3
68.99792	1.3
69.07063	0.4
69.77849	2.0
70.06590	0.6
70.64366	0.4
71.08636	5.4
72.08158	6.1
79.05470	1.1
81.07072	1.0
85.10191	2.8
88.07635	0.8
90.09200	5.0
93.07062	0.5
95.08607	0.5
105.07002	0.4
109.10146	0.5
121.10142	0.6
147.42180	0.3
147.43671	0.3
166.98570	0.6
171.04431	0.9
193.95676	0.3
199.03922	0.9
217.05006	0.5
226.25261	0.4
240.47261	0.4
241.05005	0.7
245.04445	0.7
259.06033	0.4
268.29962	3.4
286.31055	100.0
287.05508	5.7
287.31454	0.9
309.68637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.2
55.01858	0.2
55.40560	0.2
65.03935	0.4
67.01848	0.2
68.99792	2.6
69.87463	1.0
75.20216	0.2
77.03912	0.2
79.05486	0.8
81.03422	0.3
103.05466	0.2
105.03404	0.8
107.04995	1.1
109.02868	0.7
111.00835	1.4
111.04427	0.3
115.05466	0.3
121.02881	6.4
121.03862	0.4
127.03881	0.3
129.07016	0.3
133.02863	1.0
135.04401	0.3
137.02367	1.8
141.06920	0.2
145.06511	0.4
147.04405	1.3
151.03934	0.2
153.01843	9.9
157.06494	1.4
161.06049	0.4
165.01851	3.5
169.06471	0.2
171.04428	0.8
173.05951	0.3
174.92102	0.2
183.02892	1.4
185.05978	1.2
189.05533	0.2
197.05960	0.4
197.09299	0.2
199.03896	0.2
203.03474	0.4
203.07054	0.4
213.05455	2.7
229.04968	0.4
231.06534	1.2
241.04944	1.4
250.38893	0.2
258.05310	2.2
259.06000	0.9
269.04437	0.4
287.05518	100.0
288.05890	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Fisetin
Peak:m/z	Relative Intensity
62.04823	0.3
65.03921	0.4
67.01856	0.4
68.99789	2.0
69.56985	2.0
79.05491	0.5
91.05465	0.4
105.03384	0.8
107.04948	1.1
109.02880	0.5
111.00794	1.3
111.04448	0.3
115.05484	0.3
117.07038	0.4
121.02860	6.6
127.03919	0.3
129.06944	0.3
133.02856	0.7
137.02356	1.8
137.18123	0.3
145.06488	0.5
147.04398	1.2
153.01825	10.9
157.06473	1.3
165.01840	3.3
171.02983	0.3
171.04390	0.7
183.02925	1.5
185.05992	1.0
189.05339	0.5
213.05452	2.8
216.04137	0.3
231.06493	0.9
241.04997	1.3
258.05179	2.1
259.05969	0.6
269.04367	0.6
287.05499	100.0
288.05759	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33082	0.6
52.28150	0.7
53.03952	0.7
53.42540	0.7
55.05509	1.0
56.05045	1.1
59.04993	2.5
61.02934	4.8
68.05016	1.9
69.94872	2.1
69.95266	1.1
70.06593	5.1
71.04984	4.7
77.68967	0.7
79.05489	2.5
80.13563	0.7
81.07056	11.5
82.05327	1.9
82.77341	0.6
83.06103	10.9
87.08074	1.5
93.04528	8.1
95.06096	16.7
100.07716	0.7
107.06062	2.7
110.07168	100.0
111.05567	1.7
112.07586	3.6
112.08733	2.6
121.06519	2.9
121.07623	2.3
124.03965	1.8
127.82207	0.7
140.07065	2.6
146.09660	0.8
153.01794	1.2
156.07706	10.8
163.12306	54.1
164.98329	0.7
166.06082	1.2
190.13428	7.2
193.13383	1.2
197.05217	0.7
208.14450	10.4
209.12849	0.8
210.15919	1.0
219.11292	2.4
225.16118	0.9
236.13962	7.0
240.17053	8.4
249.29559	0.7
254.15010	19.5
268.16687	1.0
283.98340	0.7
286.17612	66.7
287.05484	1.2
287.17935	0.9
306.49628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
54.34061	0.6
55.01878	0.8
55.05504	0.8
56.05036	1.2
65.03965	0.7
67.05519	3.2
68.99811	3.7
69.03410	0.7
69.07068	1.0
70.06597	13.3
71.50500	0.9
72.08142	2.0
79.05497	2.0
80.05020	2.0
81.03415	1.1
81.07063	1.9
82.99184	0.6
84.08143	0.8
85.02905	1.1
86.09711	3.8
87.00856	0.7
87.04472	2.5
88.03972	0.8
91.05493	7.1
93.05779	2.4
93.07054	6.9
94.06574	27.9
95.04966	1.9
96.04482	1.1
96.08099	1.9
97.02888	1.2
97.06525	2.2
99.05586	0.7
105.04495	1.0
105.07056	1.5
107.04971	1.0
108.08125	21.9
110.06030	1.8
110.07117	0.8
111.00815	1.4
112.07637	1.8
116.07073	1.5
117.05721	0.7
118.06516	1.2
119.04950	1.0
119.08575	2.5
119.81061	0.7
120.08077	1.6
121.06516	2.0
122.06038	78.7
123.04365	1.0
123.06844	1.4
124.03952	2.6
124.07639	1.2
126.09167	1.3
127.08700	4.4
136.07590	42.9
137.05980	0.9
138.09152	2.6
139.03894	0.7
140.07072	3.6
140.94592	0.7
146.06009	0.7
147.04408	1.0
153.01852	0.8
154.08650	17.7
155.08151	3.3
160.00624	2.1
164.07076	16.3
165.05530	1.0
171.04457	1.9
175.03929	1.0
182.08142	100.0
183.08514	1.2
185.09222	1.4
186.04523	1.0
199.03912	2.3
200.09216	2.0
203.03406	2.5
213.05507	3.0
217.05061	1.6
219.06592	1.0
226.07130	3.6
231.06619	0.7
241.04926	3.1
245.04482	2.3
268.08096	2.3
269.04492	1.8
286.09390	16.2
286.17117	1.3
287.05499	14.1
305.18634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01864	1.0
55.05512	13.4
56.48295	0.9
57.03163	1.1
57.03439	20.6
57.07074	1.2
63.00048	1.2
67.05508	31.1
69.07070	20.5
70.11028	3.3
71.04991	7.6
74.60105	0.8
79.05072	1.4
79.05497	19.9
81.07059	100.0
83.04990	6.5
83.08628	9.3
85.02908	1.3
85.06541	5.5
87.04456	0.9
91.05482	24.5
93.07048	12.4
95.04959	3.0
95.08607	18.6
97.06535	7.5
99.04432	1.0
99.08083	4.6
101.06002	0.9
105.07033	38.3
107.04935	1.0
107.08589	12.5
109.06519	6.7
109.10114	1.9
111.08058	1.1
113.05981	1.9
115.54237	0.9
117.06988	1.3
119.08582	27.5
121.09344	1.5
121.10149	21.0
123.08083	4.3
123.11706	30.3
127.07531	2.7
129.06995	2.4
131.08568	2.0
133.10109	3.2
137.13260	2.6
141.09090	1.1
142.07796	1.3
145.10130	1.3
147.11693	74.7
157.10101	3.9
165.12761	36.1
175.11163	3.4
183.13849	4.3
193.12228	2.5
203.10672	0.9
229.14337	5.3
253.08632	1.3
267.15823	3.0
285.16937	40.2
285.29718	1.1
285.33356	1.3
286.17377	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01880	1.6
55.05515	17.5
57.03196	1.7
57.03442	23.6
57.07082	2.1
58.43396	1.2
59.65183	1.2
59.65527	1.2
63.12468	1.2
67.05186	2.1
67.05511	34.8
69.07072	21.3
70.97288	3.1
71.04984	6.2
79.05494	20.7
81.07063	100.0
83.04977	7.8
83.08620	10.3
85.06557	6.7
91.05492	26.8
93.07048	13.2
95.04969	3.8
95.08057	2.3
95.08610	24.1
97.06540	7.3
99.08076	4.1
105.07035	42.1
107.08601	12.5
109.06507	6.2
109.10179	2.5
111.08099	1.5
113.05978	1.8
115.05421	1.5
119.08588	30.7
121.10160	22.4
123.08066	4.9
123.11712	29.5
127.07531	2.1
129.07018	1.7
131.08565	2.2
133.10152	3.3
137.13246	3.2
141.09103	1.5
144.35129	1.5
145.10150	1.5
147.11700	85.8
157.10109	3.9
159.98015	1.4
165.12758	40.2
175.11160	4.1
183.13780	4.5
187.61559	1.2
193.12245	1.8
229.14348	5.1
245.73962	1.5
267.15948	2.7
285.16721	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	286.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01868	3.4
55.05503	2.1
56.05033	6.9
56.96563	2.1
57.03441	9.8
58.96889	1.2
61.02933	22.9
62.06062	1.8
68.05028	3.4
69.03085	1.7
69.03437	22.2
70.06606	11.1
71.04993	3.5
73.02930	8.7
81.03426	6.9
81.07063	1.7
82.06581	2.3
82.99812	1.2
83.04962	1.6
83.91125	1.2
84.04494	2.1
84.08163	7.4
85.02911	46.4
85.07697	3.3
86.06074	4.9
87.04467	1.5
91.03938	1.8
94.06560	3.7
95.06087	2.2
97.02893	20.7
99.04465	3.8
100.03984	9.0
101.00892	12.9
101.02354	1.7
108.04547	1.3
109.02897	5.0
110.06044	2.4
110.07150	4.7
111.02927	1.4
112.07620	4.2
113.00862	5.0
114.02380	1.5
114.05533	10.6
115.00593	1.4
115.02420	3.4
116.07060	2.5
119.01917	16.1
120.03489	1.3
122.06017	4.3
123.04457	1.9
124.03928	2.1
124.07594	21.7
126.07742	2.5
127.03931	14.9
128.07094	1.7
129.06606	6.7
130.05014	3.5
131.01913	12.3
132.03445	1.9
133.03467	4.3
136.07626	1.6
137.05957	1.8
138.05513	70.9
139.08685	2.3
140.07060	3.8
141.10187	3.2
143.01888	11.3
145.02446	2.1
145.03450	5.1
145.04941	7.5
151.08669	2.3
153.01826	1.6
154.02890	2.6
154.05022	2.8
154.07237	4.5
155.01845	6.8
157.03444	2.4
159.21405	1.4
161.02913	10.3
163.12254	2.0
166.02982	4.9
167.01958	2.1
168.06598	1.6
168.11365	2.2
168.99872	7.7
169.03499	2.0
173.02980	9.9
174.04507	1.9
175.03488	5.4
177.08591	2.1
180.99860	1.4
182.08122	5.7
183.01584	1.6
183.05029	3.9
185.02927	4.1
185.09224	100.0
186.07617	3.3
187.00955	8.0
189.02425	3.0
190.05699	1.6
192.05557	2.8
195.54088	1.4
196.02365	2.0
196.04054	5.6
196.10902	6.1
196.99300	2.8
199.00879	2.5
199.04474	1.6
201.02460	2.1
203.03978	4.2
205.04506	2.6
213.05820	1.4
215.00412	13.8
215.03796	1.8
217.01871	2.6
219.03560	1.5
221.05066	2.2
223.09000	4.2
224.07726	1.6
226.03401	3.0
229.01950	5.6
231.03484	3.4
240.13516	3.3
242.08755	1.6
245.05058	4.4
247.03018	15.5
250.03355	1.8
253.08409	1.4
258.14526	1.5
259.03036	7.3
268.04279	12.9
268.11853	1.6
269.09540	5.4
271.03137	2.0
286.05334	55.6
286.09125	9.8
286.14355	23.5
286.17563	1.8
287.05548	3.1
289.04099	6.9
299.02560	2.0
307.05148	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.29103	1.3
53.03939	2.8
53.52389	1.2
55.01859	4.3
55.05517	18.7
57.03443	33.3
57.07076	2.0
63.00036	2.4
63.61738	1.0
67.05512	28.3
69.03420	5.0
69.07068	10.0
69.29206	10.3
71.05004	7.3
71.86786	1.0
79.05080	1.8
79.05500	27.9
81.03424	100.0
81.07063	34.3
83.04981	15.4
83.08158	1.8
83.08624	32.2
85.02914	59.3
85.06541	1.8
91.05488	34.2
93.07053	18.5
95.04978	35.7
95.08138	1.1
95.08616	11.6
97.02897	3.9
97.06532	7.0
97.10157	3.1
105.07034	25.6
107.04975	7.6
107.08613	8.4
109.06528	6.2
109.10159	4.9
111.04437	4.8
111.08089	18.5
113.06010	4.0
115.05433	2.5
117.06991	2.3
119.08588	24.2
121.06482	2.3
121.09421	1.6
121.10152	13.8
123.08056	3.6
123.11694	3.0
125.09655	1.1
129.06992	9.7
131.08589	12.2
133.06462	2.8
133.10133	11.2
135.11746	1.3
137.09596	2.1
142.07791	3.3
145.10095	3.4
147.08092	3.0
147.11702	21.4
149.09636	6.9
157.10141	18.8
161.52379	1.0
165.12711	7.8
175.11211	23.2
184.09081	1.1
193.12260	94.1
195.53630	1.3
211.13306	63.1
215.76724	1.3
221.06050	1.6
229.14346	2.1
230.51541	1.2
253.08630	1.4
267.15933	9.9
269.46719	1.5
285.16968	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59053	1.0
53.03948	1.8
55.01861	2.1
55.05516	16.2
57.03444	21.4
57.07069	1.7
57.49465	1.0
67.05510	33.4
69.07069	18.4
71.04994	6.3
76.40729	1.2
79.05071	1.5
79.05496	16.8
81.07062	100.0
82.07416	1.2
83.04997	7.3
83.08621	6.9
85.06549	7.3
86.74316	1.0
90.54849	1.1
91.05489	27.2
93.07058	11.8
95.04945	3.3
95.08610	18.3
97.06538	9.0
97.10165	1.7
99.08088	2.2
101.05981	1.3
105.07041	33.5
107.08601	11.4
109.06511	4.6
109.10138	3.1
113.05961	1.5
117.07009	1.3
119.08591	25.5
121.09332	1.7
121.10155	22.4
123.08072	2.3
123.11723	31.4
127.07554	2.4
129.07034	3.3
131.08542	1.5
133.10136	2.7
137.09624	1.3
137.13246	1.9
145.10135	2.2
147.11699	71.6
155.01981	1.2
157.10089	3.3
165.12770	34.3
171.01407	2.5
171.11763	1.1
175.11160	3.6
175.14983	1.1
183.13809	4.4
193.12241	2.4
194.20512	1.1
229.00851	1.1
229.14319	3.7
237.09747	1.6
267.15829	3.0
285.07501	1.2
285.16971	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01858	2.5
55.05514	17.5
57.03440	22.2
57.07060	2.5
59.68050	0.8
65.03935	2.2
67.05509	37.6
69.03403	2.2
69.07072	19.5
70.64193	1.4
70.64528	1.1
71.05003	6.5
79.05495	22.3
81.03001	1.5
81.03426	16.7
81.07060	100.0
82.07375	0.9
83.04566	0.9
83.04984	9.1
83.08167	0.8
83.08623	12.0
85.02892	2.0
85.06554	5.5
87.04511	1.0
91.05482	31.4
93.07054	14.8
95.04978	7.1
95.08611	23.2
96.08899	0.8
97.02886	1.2
97.06536	6.9
99.04475	1.0
99.08051	3.8
101.06002	1.7
105.07037	38.5
107.04890	1.6
107.07908	0.7
107.08604	13.5
109.06545	5.9
109.10113	3.7
111.04383	1.1
111.08058	2.5
113.05988	2.0
115.05485	1.2
115.07573	1.1
117.07014	1.8
119.04943	0.8
119.08587	32.0
121.06529	1.1
121.09364	1.0
121.10155	20.1
122.03099	0.9
123.08080	4.4
123.10837	1.4
123.11716	27.6
125.09614	1.2
125.44807	0.9
127.07523	2.5
129.07018	5.0
131.08577	4.2
133.10153	5.5
135.11633	1.0
137.09552	1.8
137.13193	2.4
141.09093	2.2
142.07747	1.7
143.08534	2.0
144.08099	0.9
145.10109	5.1
147.04375	1.3
147.07951	1.5
147.11696	68.9
149.09555	1.6
153.01852	13.3
155.08511	1.1
157.10139	6.9
159.11644	2.7
161.05939	1.6
165.06937	2.8
165.12759	36.1
168.08054	3.2
169.08755	0.9
169.10110	2.0
171.11649	2.6
173.13188	2.7
175.11162	6.0
175.14664	0.9
180.08034	3.1
183.11702	1.4
183.13759	2.8
185.13219	2.7
187.14746	1.8
191.03329	2.7
193.06508	1.9
193.12280	9.0
197.13315	1.5
207.07962	0.9
208.11185	1.9
210.06735	1.9
211.13263	2.2
212.14330	0.9
221.05869	2.8
222.12660	1.1
225.09151	4.3
226.98586	1.2
229.14320	6.8
239.17958	1.5
253.08623	7.5
267.15671	3.8
267.21164	1.8
268.13315	5.0
285.07596	2.0
285.11215	5.8
285.16888	37.4
285.21494	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	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
55.01871	2.2
55.05514	17.2
57.03443	21.9
57.07084	1.0
59.05013	0.9
65.03941	1.4
66.41844	0.7
67.05508	38.4
69.03438	1.4
69.07072	20.1
70.06049	1.9
70.06456	1.2
71.05000	7.3
73.02942	0.8
73.06571	1.0
73.62746	0.6
77.03914	0.8
79.05496	21.3
81.03442	0.7
81.07060	100.0
83.04993	7.4
83.08624	11.0
85.06547	7.1
88.71393	0.7
91.05488	29.4
93.07046	14.7
95.04984	5.1
95.08611	22.1
96.93856	0.6
97.06530	9.4
97.10168	1.3
99.04476	0.6
99.08076	3.4
101.06019	0.8
105.07037	41.9
107.04971	1.0
107.08603	14.7
109.06507	7.1
109.10169	2.6
111.08086	2.2
113.06010	2.2
115.05461	1.3
115.07549	1.3
117.06990	1.0
119.08588	32.1
121.10145	22.4
123.08076	5.4
123.11716	33.6
127.07593	3.8
129.07028	4.1
131.08569	2.9
133.06477	0.8
133.10135	5.9
137.09599	1.1
137.13283	3.1
141.09109	2.1
142.07768	1.1
145.10133	2.9
147.11694	83.7
149.09627	1.4
151.11226	0.8
153.01840	1.1
157.10123	7.0
159.11769	0.6
161.05992	1.7
165.07036	2.4
165.12761	41.0
175.11189	6.3
181.06503	0.9
182.07300	1.4
183.13794	3.7
185.13370	0.8
187.14873	1.0
193.06471	1.7
193.12218	4.5
197.09621	1.2
210.06764	2.2
221.06044	1.9
225.09090	5.1
229.14392	9.3
235.13069	0.8
238.06282	0.7
242.05641	1.0
243.11313	0.8
249.18469	1.2
253.08635	8.7
257.04413	1.0
257.67566	0.6
267.15967	4.9
270.05145	2.0
285.07617	3.5
285.11313	5.1
285.16946	43.6
285.22189	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	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03940	4.2
54.58734	1.4
55.01861	2.6
55.05514	18.6
57.03440	32.6
57.07067	1.8
59.05011	2.5
63.00034	2.2
65.03916	1.9
66.92229	1.7
67.05509	28.6
69.03410	6.2
69.07071	8.7
69.54095	10.5
71.04974	9.2
75.18739	1.5
79.05498	27.7
79.49723	1.7
81.03421	100.0
81.07060	37.5
83.04995	12.6
83.08627	33.7
85.02913	59.7
85.06535	4.3
91.04978	2.4
91.05486	33.5
93.07052	22.4
95.04977	34.4
95.08617	13.5
97.02872	2.1
97.06522	4.7
97.10191	2.8
105.07041	28.7
107.04964	7.5
107.08598	11.7
109.06519	7.9
109.10119	5.1
111.04436	4.3
111.08089	20.5
113.06004	4.4
115.05449	1.9
117.07005	3.4
119.08598	22.9
121.06504	1.8
121.10152	10.9
123.08073	5.3
123.11710	3.7
129.07013	10.9
131.08559	12.7
133.06502	3.8
133.10117	9.4
137.09584	1.9
142.07753	4.3
145.10086	3.0
147.08012	5.8
147.11694	25.0
147.94154	1.6
149.09657	7.3
153.01834	1.7
157.10132	19.5
165.12743	9.4
175.11182	24.2
193.12262	92.6
203.10762	1.6
211.13292	62.4
225.09238	3.5
229.14360	3.5
236.10446	1.5
238.51697	1.6
253.08620	5.2
267.15765	8.1
285.08011	3.4
285.11496	3.7
285.16943	60.6
285.22137	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01874	2.2
55.05515	16.2
57.03154	1.1
57.03440	19.9
57.64689	0.6
59.05006	1.2
62.32893	0.6
65.03957	1.7
65.46331	0.5
66.01032	0.7
67.05508	33.9
69.03443	0.7
69.07073	19.2
71.04998	7.8
71.05972	1.3
77.03934	0.8
79.05496	20.8
81.03417	0.9
81.07061	100.0
83.04974	6.2
83.08625	9.0
85.02901	0.7
85.06550	7.3
86.54341	0.6
91.05484	27.2
91.43896	0.7
93.07052	12.6
95.04960	2.2
95.08612	21.1
97.06532	8.9
97.10155	1.3
99.08096	5.2
99.50988	0.6
101.06010	1.4
105.07037	38.1
107.08598	12.8
109.06509	6.0
109.10161	2.2
111.08062	1.3
113.05999	1.6
115.07555	0.7
117.07027	0.7
119.08588	31.7
121.10146	22.0
123.08067	4.5
123.11716	30.6
127.07513	3.5
129.06996	2.2
131.08597	1.4
133.10115	3.6
137.13237	3.2
141.09103	1.2
142.07767	0.8
145.10121	1.9
147.11696	79.7
149.09537	0.7
151.07472	0.6
151.11119	0.9
157.10136	5.2
159.11734	0.7
161.05995	1.0
161.10907	0.7
165.12761	36.6
175.11166	4.9
183.13835	3.5
187.11049	0.7
187.14853	0.8
193.06395	0.7
193.12218	4.1
199.14743	0.9
210.06606	0.6
211.13225	1.0
221.05960	0.9
225.09134	1.3
229.14394	6.5
237.67377	0.6
253.08578	3.2
267.13364	0.5
267.15787	3.9
285.11493	2.4
285.16934	38.0
285.22101	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.8
54.65120	1.9
55.01871	3.9
55.05516	18.1
57.03439	34.5
63.00067	2.4
65.03932	2.4
67.05511	31.9
69.03431	6.1
69.07062	9.8
70.67027	3.3
70.67387	4.3
71.04980	7.0
79.03857	2.0
79.05501	24.0
81.03423	100.0
81.07056	38.9
83.04986	12.0
83.08618	36.6
84.38770	2.0
85.02912	46.7
85.06547	2.8
91.05489	30.2
93.07044	20.0
95.04975	33.0
95.08626	13.0
97.02937	4.0
97.06532	6.4
97.10145	4.1
98.98508	2.6
99.08092	3.3
104.07334	2.2
105.07040	31.6
107.04947	7.2
107.08585	11.0
109.06507	7.8
110.09089	2.0
111.04457	4.2
111.08096	19.1
113.06022	7.0
115.05433	2.8
119.08581	29.2
121.06475	3.4
121.10146	14.5
123.11674	6.1
129.07004	11.7
131.08536	15.1
133.06491	4.2
133.10133	11.2
142.07791	4.3
145.10059	2.1
147.08066	3.5
147.11697	35.5
149.09622	7.7
157.10129	17.2
165.12781	8.1
175.11205	24.4
193.12251	87.1
208.02150	2.3
211.13316	57.1
211.36346	2.0
221.06001	2.8
229.14575	4.3
246.67224	2.7
253.08736	4.4
267.15909	8.6
285.07578	5.2
285.16956	44.9
285.21875	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.3
53.33949	0.6
55.01870	2.1
55.05515	16.7
57.03440	20.4
57.07076	0.8
59.04996	0.9
59.52309	0.5
64.60597	0.5
65.03938	1.0
67.05508	33.8
69.03443	1.2
69.07074	20.0
70.75845	1.4
71.04995	5.6
73.06560	1.7
79.05498	21.0
81.03429	0.7
81.07061	100.0
83.04994	6.8
83.08624	9.3
85.02901	0.8
85.06548	7.5
91.05486	25.2
93.06155	0.6
93.07056	13.9
95.04967	3.4
95.08611	23.0
97.06527	7.1
97.10163	0.9
99.04491	0.6
99.08092	4.9
101.06021	1.8
105.07037	39.9
107.04977	0.8
107.08599	12.1
109.06519	6.0
109.10182	2.3
109.63025	0.5
111.08090	1.3
112.80762	0.5
113.06007	2.1
115.07622	1.0
117.07014	1.1
119.08590	28.6
121.09478	0.4
121.10146	22.3
123.08104	3.4
123.11719	33.0
125.09663	0.6
125.16438	0.5
127.07582	3.4
129.07016	1.6
131.08589	1.5
133.06439	0.5
133.10112	4.0
133.12839	0.5
137.09596	0.9
137.13261	2.7
141.09084	1.5
142.07784	1.2
145.10204	1.4
147.11699	77.8
148.12010	0.6
149.09714	0.8
155.08490	0.6
157.10123	4.7
159.11688	0.9
165.12766	39.0
175.11223	4.4
183.13788	3.3
185.33290	0.6
191.03468	1.2
193.06529	1.0
193.12233	2.9
210.06668	0.8
211.13292	0.6
218.33615	0.5
221.06102	0.6
225.09119	1.0
229.14334	6.9
242.05804	3.5
242.07956	0.6
249.93489	0.6
253.08708	2.3
267.15894	4.6
270.05264	3.9
285.07742	6.9
285.11334	1.9
285.16974	40.1
285.22116	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23018	0.5
53.03954	1.5
55.01872	1.9
55.05515	15.0
57.03440	20.8
57.07087	1.2
65.03945	1.1
67.05508	31.5
69.03434	1.1
69.07071	18.7
69.44355	3.6
70.88084	0.4
71.05001	6.4
73.06557	1.1
79.05497	19.3
81.07059	100.0
82.07406	0.8
83.04984	7.0
83.08620	9.3
85.06549	7.9
87.04455	0.7
91.05484	27.0
91.33377	0.5
92.68783	0.4
93.07048	13.0
93.07643	0.8
95.04976	2.7
95.08611	21.6
95.92394	0.4
97.06534	7.4
97.10194	0.5
99.08095	3.9
101.06036	1.6
105.07035	36.0
107.08601	12.0
109.06524	6.3
109.10165	1.9
111.08112	2.0
113.06017	1.5
114.70821	0.4
115.07605	0.9
117.07013	1.0
119.08585	27.9
121.10152	22.7
123.08085	5.2
123.11713	31.7
125.09682	0.7
127.07560	3.7
129.07036	1.8
131.08563	2.3
133.10143	2.5
137.13234	2.5
141.09077	1.0
142.07776	0.8
145.10139	1.5
147.11696	79.9
148.12061	1.0
149.09586	0.5
157.10124	2.9
165.12759	38.6
175.11214	3.3
179.69653	0.5
183.13834	3.8
193.12291	2.9
211.13245	0.9
221.05824	0.5
225.09229	0.5
229.14330	5.4
253.08559	1.1
261.86743	0.6
267.15948	3.7
285.16962	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01863	3.9
55.05505	28.9
57.03438	38.9
59.31606	2.3
60.69855	2.5
60.97088	2.3
63.00037	9.3
64.50403	2.4
67.05506	38.5
69.03432	8.9
69.07070	21.5
69.22672	18.4
69.23086	4.7
71.04997	8.9
79.05495	35.1
81.03422	100.0
81.07056	63.4
83.04970	14.5
83.08621	36.6
85.02908	62.5
85.06553	3.9
87.04443	2.5
91.05487	39.4
93.07045	27.6
93.31956	2.3
95.04967	37.0
95.08617	18.1
97.02892	2.6
97.06535	8.0
97.10159	6.0
98.20747	5.9
98.98469	7.0
99.08092	2.9
103.05459	2.5
105.07031	40.3
107.04964	5.5
107.08601	13.8
109.06498	5.5
109.10145	7.0
111.04416	4.1
111.08090	18.9
113.06024	7.3
115.05426	4.7
117.06995	5.4
119.08584	34.1
121.06570	3.6
121.10127	23.0
123.08104	6.6
123.11703	12.8
129.07022	13.7
131.08594	17.1
133.06512	5.2
133.10150	14.6
135.08073	3.3
135.11707	3.3
137.05922	2.6
137.09622	4.0
142.07779	3.7
145.10146	9.6
147.08055	4.9
147.11688	43.1
149.09622	7.2
152.43619	2.1
153.01851	3.2
154.98541	2.4
157.10146	22.3
159.11699	4.5
160.97705	2.9
161.06015	5.0
165.07016	4.4
165.12755	14.5
169.10172	2.8
175.11215	25.3
183.04395	2.5
193.06512	5.6
193.12250	81.4
210.06743	7.1
211.13295	55.0
221.05995	8.3
225.09123	8.5
229.14304	3.5
243.11313	3.3
253.08548	21.2
257.04550	3.0
257.07986	2.4
267.15973	12.1
285.04205	2.8
285.07669	7.3
285.11600	11.5
285.16888	63.3
285.22079	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	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01852	2.0
55.05521	15.5
57.03444	20.1
57.78796	1.1
65.03926	1.5
66.24546	1.4
67.05515	34.7
69.03426	2.8
69.07074	20.4
69.67038	1.3
69.90536	3.6
69.90931	3.0
71.00114	1.4
71.05002	8.2
79.05080	1.6
79.05503	26.6
81.03428	7.0
81.07065	100.0
83.04978	7.7
83.08620	11.3
85.06567	8.2
85.88199	1.4
91.04984	2.0
91.05492	28.8
93.07045	14.5
95.04970	4.5
95.08614	23.1
97.06549	9.7
97.10175	2.0
98.21569	1.5
99.08095	4.6
101.06017	1.5
105.07040	34.8
107.04974	1.9
107.08602	13.7
109.06513	5.4
109.10149	3.4
111.08085	3.0
119.07809	2.4
119.08594	32.0
121.06577	1.5
121.10157	23.8
123.08064	5.2
123.11726	31.1
127.07565	2.9
129.06979	5.5
131.08510	4.1
133.10139	3.7
135.36311	1.6
137.09673	1.7
137.13237	2.2
141.09096	1.8
141.46535	1.3
145.10092	2.0
147.11703	87.2
149.09612	1.4
153.01788	5.3
157.10114	6.3
159.11633	1.8
160.57790	1.3
161.06023	1.6
165.06973	2.1
165.12766	41.3
169.10147	1.7
173.13235	1.5
175.11136	3.8
182.07185	2.6
183.13802	4.0
187.14735	1.9
191.03307	2.0
193.12286	6.4
197.01184	1.2
197.13319	1.7
210.06732	1.9
211.13321	1.6
221.05977	3.3
225.09100	3.7
229.14357	5.8
238.06206	1.5
253.08566	9.4
267.15744	3.0
285.07849	2.4
285.11200	7.0
285.16928	44.7
285.21729	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03949	3.9
55.01875	4.9
55.05517	19.0
55.66698	1.7
57.03446	30.7
57.33234	1.8
59.04994	2.5
61.86607	2.0
63.00045	3.8
65.03934	2.1
67.05510	36.8
69.03429	6.4
69.07064	13.5
70.69836	5.4
71.05006	10.3
79.05499	35.3
81.03425	100.0
81.06591	2.9
81.07059	45.8
83.04977	15.6
83.08621	29.3
85.02436	3.3
85.02915	45.6
85.06538	3.5
91.05486	41.6
93.06537	2.9
93.07053	22.0
95.04382	2.8
95.04977	41.3
95.08621	20.7
97.02903	4.8
97.06525	7.8
97.10174	4.9
98.98448	5.3
105.07043	35.4
107.04959	8.6
107.08624	14.4
109.06525	6.6
109.10152	7.4
111.04435	3.7
111.08070	15.9
113.06026	4.0
117.07018	3.4
119.08595	27.4
121.06549	3.4
121.10143	14.1
123.08105	4.1
123.11716	9.1
125.09608	3.2
129.07016	12.2
131.08566	13.4
133.06491	4.2
133.10133	10.7
135.08044	4.7
135.11655	2.5
137.09659	4.0
139.11305	2.0
142.07741	4.4
145.10129	5.8
147.08058	5.4
147.11684	30.9
149.09631	7.8
151.11183	2.4
157.10136	18.3
165.12811	12.9
171.11717	1.9
175.11198	31.3
175.14807	3.0
176.53731	2.2
183.11850	2.1
193.12260	90.1
197.13188	2.3
210.06689	2.2
211.13301	51.5
221.05942	2.5
222.96881	2.7
225.09190	3.4
229.14374	8.4
253.08716	9.4
267.15897	9.0
267.21066	2.1
285.07599	5.1
285.11179	7.6
285.16895	46.0
285.22119	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	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01863	5.3
55.05514	24.0
57.03444	39.0
57.07078	4.4
60.59346	2.1
63.00042	3.4
67.05510	37.4
69.03416	6.6
69.07070	12.8
69.15370	11.0
69.15794	7.7
71.04990	8.5
71.08601	2.4
74.46676	1.8
79.05064	3.0
79.05498	31.3
81.03424	100.0
81.07059	61.0
83.04990	13.2
83.08623	37.1
85.02908	59.5
85.06506	3.0
88.11252	1.9
91.05485	40.6
93.07053	26.5
95.04971	39.4
95.08607	22.6
97.02878	4.5
97.06535	5.7
97.10181	4.5
98.20772	2.7
98.98432	2.2
102.86452	1.8
105.07040	37.5
107.04945	10.0
107.08621	15.6
109.06523	6.5
109.10155	8.8
111.04441	4.1
111.08092	19.3
113.06003	5.8
115.05421	2.2
117.06999	4.9
119.07803	2.8
119.08594	33.2
121.06481	3.7
121.10149	21.7
123.08061	4.7
123.11712	7.5
128.06250	2.0
129.06996	14.4
131.08571	14.0
133.06462	4.6
133.10132	13.6
135.11687	4.5
137.09630	2.7
141.06993	2.3
142.07799	2.4
145.10141	9.3
147.08044	5.3
147.11687	33.0
149.09599	10.0
151.11136	2.5
157.10120	20.0
159.08105	1.9
159.11717	6.3
161.09662	3.7
163.11209	2.4
165.12741	12.2
169.10092	2.9
170.15392	5.0
171.11673	3.2
173.13306	4.1
175.11206	24.1
175.14769	2.3
183.11705	5.2
185.13347	2.7
187.14864	3.2
189.12755	2.4
193.06483	2.0
193.12260	89.2
197.13159	2.3
198.14920	6.1
211.13292	58.4
211.15218	3.5
215.14436	2.1
222.96944	1.9
225.09155	2.7
225.16373	2.0
229.14128	2.4
229.16100	2.6
253.08723	5.2
257.22589	2.8
267.15887	7.6
267.21045	3.9
285.07852	2.2
285.11664	4.2
285.16956	51.2
285.21954	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	285.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
51.18541	0.2
53.03941	0.4
53.94405	0.3
55.01868	0.5
55.05519	1.8
57.03437	1.8
67.05180	0.3
67.05512	3.3
69.03437	0.4
69.07071	1.7
69.17392	0.5
69.17799	1.6
71.04990	0.7
79.01861	3.2
79.05499	2.4
81.03436	1.3
81.07061	9.1
82.65916	0.2
83.04974	0.7
83.08627	1.3
85.06554	0.6
87.00815	0.2
91.05492	3.2
93.07061	1.5
95.04945	0.5
95.08607	2.2
95.54115	0.2
97.02895	0.9
97.06522	0.8
98.13354	0.2
99.08095	0.4
105.07034	4.0
107.01332	0.8
107.04939	0.2
107.08611	1.5
109.06564	0.6
109.10175	0.5
111.08095	0.3
113.46844	0.2
117.07044	0.2
119.08573	2.6
120.05309	0.2
121.02849	0.2
121.06537	0.3
121.10152	2.1
121.23707	0.2
122.65350	0.2
123.08070	0.5
123.11720	2.7
125.02365	1.5
127.07549	0.3
129.07030	0.3
131.08582	0.4
133.10110	0.6
135.11661	0.2
137.13275	0.3
139.11127	0.2
143.03409	3.4
145.10184	0.3
147.04425	0.7
147.11696	6.8
151.03897	0.2
153.01839	100.0
153.02864	4.7
154.02162	1.0
157.10098	0.4
161.05986	0.5
161.50778	0.2
165.07007	0.8
165.12766	3.7
175.11188	0.6
181.06535	0.2
182.07254	0.3
183.13818	0.2
191.03435	0.9
193.06494	0.6
193.12251	0.8
195.02911	0.3
210.06795	0.5
221.06003	0.6
225.09189	0.9
229.14380	0.5
253.08656	1.3
267.10385	0.3
267.15997	0.5
285.06180	1.0
285.07919	0.7
285.10992	1.7
285.16891	3.4
285.22113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0991
Annotation	Guanosine
Peak:m/z	Relative Intensity
56.96548	0.2
57.03427	0.4
59.01420	0.2
69.03431	0.4
69.87664	1.0
70.06599	0.3
84.08135	0.3
85.02911	0.3
87.39131	0.2
91.05479	0.7
97.02842	0.2
98.97582	0.5
106.26272	0.2
109.05107	0.5
110.03539	2.9
110.07143	0.2
119.04962	0.6
121.06516	0.6
128.04575	0.7
134.04631	0.4
135.03026	7.3
137.05989	2.2
140.57246	0.2
152.05681	100.0
153.02121	0.2
153.04088	5.3
153.06056	0.4
154.02475	0.2
173.94090	0.2
196.54691	0.2
221.58284	0.2
261.03156	0.9
284.10971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.8
56.05005	0.4
57.07053	0.5
63.02354	0.3
67.05508	1.8
68.04998	0.5
69.03384	0.4
69.07067	2.1
69.85358	1.4
70.02974	2.0
70.06609	1.9
71.01373	0.4
72.04513	0.5
72.08159	0.7
79.05493	2.5
80.05064	0.4
81.03406	0.6
81.07067	2.7
82.06577	0.7
83.08607	1.2
84.08147	0.9
85.02888	0.6
86.09685	1.1
88.03970	0.9
89.52305	0.4
90.05560	0.7
91.05481	1.3
93.07053	5.2
94.06563	1.1
95.04943	0.7
95.08608	2.3
97.02896	0.5
97.06509	0.5
98.06032	0.5
98.20805	0.4
99.04449	0.4
105.07019	1.4
107.08587	2.7
108.08127	8.6
109.02869	0.9
109.08913	0.8
109.10151	1.0
110.06021	0.7
110.09658	1.5
111.04386	0.3
111.08031	0.4
112.07610	0.6
112.11240	0.4
116.03421	0.9
118.05026	1.0
119.08553	0.7
120.08078	0.9
121.02850	1.6
121.06503	0.5
121.10127	0.8
122.03206	1.9
122.09680	7.1
123.10433	1.1
124.11237	0.6
127.03872	0.4
130.06483	0.6
134.09618	0.5
135.11690	4.9
136.11230	2.9
137.05945	0.5
137.09589	0.4
137.13274	0.6
138.09128	0.7
139.07530	0.5
140.03395	0.5
140.06979	0.5
140.10689	1.1
141.86716	0.3
148.11165	0.4
150.12793	11.7
151.13574	7.0
151.14784	0.4
152.10611	0.5
153.12798	0.6
157.07582	0.6
158.08258	0.5
161.13232	0.6
164.14363	1.3
165.01796	1.1
165.06999	0.5
166.12300	0.8
166.15932	0.9
168.06548	1.7
168.13866	2.4
171.14941	1.6
172.09715	0.5
178.15944	4.2
180.10236	0.9
181.06572	0.5
184.09706	0.8
186.11258	1.5
192.13776	0.4
194.15411	2.8
196.09682	1.1
196.16887	0.5
198.11247	0.9
208.13144	0.4
210.11307	2.4
210.14865	2.7
211.12128	0.9
212.12814	0.6
212.16412	0.4
222.14915	1.1
225.09076	0.5
238.14400	1.1
240.15953	100.0
241.16306	1.3
242.17523	5.7
253.08589	0.8
267.20685	1.0
269.08069	0.7
284.18576	58.1
284.23505	1.6
284.29446	0.9
285.11188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.4
55.01867	4.4
55.05492	13.0
56.96561	10.5
57.03421	6.2
57.07046	5.1
57.24522	3.7
65.03943	7.1
67.05515	26.6
69.03438	30.0
69.07053	8.2
69.62167	20.7
69.62573	7.7
70.06567	6.7
71.05003	26.5
72.08163	60.1
79.05500	35.3
81.03410	12.1
81.04543	8.1
81.07066	48.7
82.06615	4.7
83.04984	22.2
83.08583	4.4
84.08123	6.8
85.02905	8.5
88.84268	4.2
91.05484	63.9
92.68707	4.1
93.07047	40.8
95.04967	23.2
95.08617	24.4
97.02880	8.2
97.06507	16.7
98.06087	6.1
98.74130	5.3
98.97607	5.6
99.04456	12.6
103.05441	8.9
105.07032	81.8
107.04950	17.7
107.08613	32.4
109.02875	6.0
109.06546	37.1
109.10180	6.4
111.04436	16.9
111.08088	10.3
113.06011	11.0
115.05414	7.9
117.07035	44.1
119.05009	5.8
119.08592	58.6
119.51916	4.0
120.08113	6.6
121.02863	26.1
121.06519	100.0
122.07153	15.9
123.07985	75.2
125.05924	4.4
127.03914	5.4
127.07504	7.7
128.06210	12.9
129.05476	19.3
129.06998	20.1
130.07764	9.4
131.08569	59.8
133.06480	13.3
133.10149	37.8
135.04382	8.7
135.08081	45.1
136.06190	41.2
137.05907	23.0
137.06607	18.0
137.09630	10.9
139.03886	12.6
139.07541	9.2
141.06960	8.2
142.07813	10.0
143.08588	30.9
145.06490	10.8
145.10136	93.3
147.08076	38.3
147.11734	21.1
149.05943	10.3
151.07539	11.7
151.11189	4.5
153.01823	15.6
154.07840	5.8
155.08577	5.8
157.10165	30.9
159.08064	49.7
159.11696	48.7
160.08893	4.2
161.06004	5.7
161.09642	60.4
163.07523	5.8
163.11168	9.3
165.09003	5.1
167.07008	10.3
167.08464	5.7
169.10092	11.0
170.27827	4.8
172.08791	5.8
173.09660	31.7
173.13235	11.2
175.11171	37.3
177.05519	6.2
177.09068	8.9
183.11754	11.4
185.09647	16.1
187.11198	22.0
189.09132	10.7
189.12791	5.0
193.08643	8.6
201.12761	14.5
203.10718	16.3
205.12354	22.3
206.11906	4.0
207.10194	9.5
207.12088	13.4
211.11166	5.2
217.12230	11.9
219.13762	5.9
221.11728	9.6
229.12285	13.3
235.13312	25.1
247.13376	27.2
253.14308	15.6
265.14355	40.5
266.13904	48.5
283.10434	25.9
283.15833	57.2
288.84204	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	283.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
61.02932	0.5
69.03426	1.1
69.07063	0.6
70.06590	1.1
71.50764	0.7
72.08167	0.8
73.06552	0.7
75.46274	0.4
78.78082	0.5
79.05518	0.5
81.03443	0.8
84.08145	0.8
85.02888	0.5
86.09722	0.6
87.04462	2.8
89.06037	100.0
89.85586	0.5
91.05480	0.6
95.04984	1.1
97.02908	2.9
98.06073	0.5
105.07048	0.6
107.07083	1.9
109.02885	1.3
111.04453	1.0
120.04463	0.5
120.08161	0.6
121.02878	18.6
121.06521	0.9
127.03932	1.8
133.08612	34.4
139.03915	1.4
140.03406	0.4
153.01851	0.7
157.04971	0.6
177.11223	5.8
195.12384	0.6
239.14992	1.5
265.07211	0.6
265.16321	1.0
268.97961	0.5
269.48819	0.4
283.17874	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01863	6.3
55.05513	17.7
55.89495	1.5
57.03440	14.5
57.07078	3.8
57.76328	1.6
65.03957	2.9
67.05505	26.6
69.03434	2.4
69.07066	10.7
71.04995	4.2
71.08648	2.4
77.95485	1.7
79.05497	33.6
81.03433	3.4
81.07058	30.5
83.04997	8.8
83.08619	12.2
89.06031	13.8
91.05485	17.0
92.44115	1.5
93.07046	51.0
95.04971	6.3
95.08614	49.3
95.09100	1.1
97.02913	9.4
97.06553	8.5
97.10172	3.6
99.04456	5.5
103.05495	2.0
105.07041	12.5
107.04962	13.2
107.08601	32.9
109.06525	2.2
109.10172	7.1
111.04443	7.0
111.08107	2.6
113.06014	1.6
117.06998	12.4
119.08598	15.2
121.06504	6.8
121.10154	20.3
122.71902	1.8
125.06020	3.9
129.07008	4.0
130.07785	3.9
131.08598	5.1
133.08572	3.0
133.10135	4.6
135.08072	2.4
135.11696	63.6
139.07533	2.4
143.08563	3.0
145.10132	34.1
163.11186	79.4
173.09648	4.2
173.13219	2.0
181.12245	19.4
191.10712	3.7
209.11775	5.1
227.12788	100.0
255.15895	5.7
283.15347	33.2
283.20453	3.8
283.24146	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
54.90255	1.2
55.01862	4.5
55.05516	14.0
57.03442	12.9
57.07074	2.9
65.03931	1.3
66.47583	1.2
67.05508	21.5
69.03412	1.9
69.07068	10.5
70.73788	1.2
71.04978	4.8
71.51871	1.4
73.02924	1.2
78.42000	1.1
79.05501	32.2
80.20863	1.1
81.03418	3.8
81.07063	25.9
83.04984	6.3
83.08625	8.9
85.02914	1.8
85.06538	2.3
89.06049	6.2
89.06555	1.1
91.05490	12.9
93.07047	45.7
93.07638	2.2
95.04970	8.5
95.08611	42.5
97.02866	5.6
97.06531	6.1
97.10152	2.8
99.04464	6.4
105.07050	14.1
107.04963	12.4
107.08598	32.1
109.06528	2.8
109.10146	4.6
111.04432	4.7
111.08067	1.8
117.07034	12.3
119.08586	16.1
121.06516	7.8
121.10140	22.2
125.05983	4.3
129.06949	3.0
130.07742	1.8
131.08580	2.4
133.08580	2.3
133.10127	6.3
135.08014	3.5
135.10704	2.7
135.11699	52.6
139.07533	2.6
143.08531	2.9
145.06564	1.5
145.10132	34.2
147.11694	5.7
153.12755	4.0
155.08591	1.3
157.10100	2.0
163.11192	74.5
173.09637	2.8
175.11197	2.4
181.12248	19.6
183.11641	2.3
191.10606	1.6
194.11093	1.4
209.11629	2.1
227.12781	100.0
227.53174	1.3
228.13148	1.7
237.41933	1.2
250.17084	1.5
265.19482	2.8
283.15063	24.9
283.20584	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	283.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01874	0.6
55.05507	0.2
57.03422	0.8
61.02933	0.4
65.03938	2.8
67.05505	0.4
69.03437	4.7
71.01347	0.4
71.04993	0.6
72.08163	0.2
73.02901	0.3
79.05497	0.4
81.03427	9.0
81.07053	0.5
83.04975	0.3
85.02917	4.4
89.06023	1.3
91.05494	0.6
93.03394	0.3
93.07038	0.5
95.04978	6.5
97.02895	2.2
97.06563	0.2
99.04469	0.8
105.03389	0.3
105.04492	0.4
105.07052	0.3
109.02888	3.8
110.86757	0.2
111.04441	1.7
121.02880	100.0
121.10151	0.3
122.03223	0.4
124.07596	0.2
127.03940	1.1
129.92075	0.2
131.08580	0.2
133.08607	0.5
139.03920	7.9
149.05786	0.2
152.05705	1.0
153.01854	0.4
153.05923	0.2
167.07010	0.4
168.92683	0.2
201.05475	0.5
265.07056	4.1
283.07965	0.4
283.15692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70182	0.3
52.26484	0.3
53.03949	1.6
53.78400	0.3
55.01870	0.7
57.03429	0.7
61.02929	0.6
61.72459	0.3
65.03948	2.9
69.03429	4.8
71.01340	0.4
71.04990	0.8
71.42533	0.5
81.03425	10.2
85.02911	4.1
89.06021	0.7
93.03379	0.4
93.07029	0.4
95.04978	4.9
97.02898	1.9
97.06445	0.4
99.04470	1.0
102.13454	0.3
105.03414	0.3
109.02879	4.4
111.04435	1.7
121.02877	100.0
122.03194	0.7
127.03944	1.6
133.08592	0.5
139.03905	7.6
153.01894	0.7
167.07043	0.5
173.06079	0.5
201.05502	1.0
219.06575	0.5
265.07074	5.7
283.08127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
53.79431	1.5
55.01868	6.2
55.05301	1.8
55.05519	17.9
57.03444	14.4
57.07073	5.0
58.41405	1.6
67.05511	34.2
69.03432	1.8
69.07074	14.3
71.04987	5.0
71.08619	2.4
71.51144	1.5
73.02940	2.4
78.53695	1.7
79.05498	37.6
81.03420	4.4
81.07068	33.7
81.08498	1.8
81.25014	1.7
83.04997	8.2
83.08633	11.8
89.06039	13.2
91.05486	17.4
93.07047	53.3
95.04971	11.4
95.08612	44.5
97.02883	6.6
97.06555	7.9
97.10184	2.7
99.04471	3.6
103.05441	2.7
105.07026	13.0
107.04955	13.5
107.08599	33.4
109.10148	6.3
109.22503	1.8
111.04440	6.7
111.08086	4.6
113.06024	3.1
117.07050	14.5
119.08591	15.8
121.02858	1.6
121.06509	8.0
121.10144	18.5
125.05984	3.3
125.09637	2.0
130.07753	4.7
131.08600	3.9
133.08614	3.4
133.10132	4.9
135.08070	2.6
135.10699	3.3
135.11700	58.3
139.07603	3.0
143.08534	2.8
145.10118	31.9
153.12727	4.1
155.08620	2.1
159.11717	2.3
161.01668	1.6
163.11191	69.0
165.09142	1.7
173.09662	5.1
181.12228	17.0
191.10675	3.8
209.11763	4.9
213.16269	2.0
224.01476	1.7
224.69609	1.7
227.12799	100.0
255.15907	5.8
283.15335	30.8
283.20285	2.4
283.24182	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	282.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.05517	4.3
57.03418	0.6
57.07076	5.0
65.03928	0.8
65.88928	0.5
69.03426	1.4
69.07049	1.5
69.34406	0.6
70.06587	1.7
70.56241	1.7
70.69279	0.6
71.04962	0.7
72.08144	2.2
79.05481	1.4
81.03395	2.8
81.07028	0.9
85.02901	1.3
87.08109	24.1
91.05453	0.8
92.05012	1.1
93.07027	1.1
94.06573	1.3
95.04976	0.7
97.02891	1.0
97.06531	1.0
98.09660	0.7
98.97563	0.6
105.03362	0.6
105.07024	1.8
107.04941	0.6
109.02821	1.2
110.06023	0.6
115.05443	1.1
120.04465	24.0
120.08080	1.8
121.02888	4.1
121.06496	2.2
131.04956	1.5
133.06476	2.7
134.06023	1.2
136.07593	0.7
137.05949	1.4
138.05469	3.6
139.03885	1.6
143.04932	1.6
145.06479	1.7
146.15009	0.6
147.04410	0.7
153.01859	0.7
153.05482	2.4
159.04355	1.8
161.05989	3.7
162.05486	0.7
163.03908	1.6
165.05470	2.1
166.08636	0.8
173.05876	1.5
177.05438	2.9
179.07047	12.3
180.06564	100.0
191.06993	2.5
193.07361	2.3
196.09700	11.9
215.10684	1.6
233.11769	5.0
250.14403	31.1
254.08711	0.7
264.08691	2.3
282.17029	55.1
282.22107	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53113	0.2
55.05498	0.2
56.96557	0.3
59.01015	0.2
69.03425	0.5
70.06578	0.9
70.60140	0.4
72.08116	0.3
73.02901	0.4
75.67999	0.2
81.03402	0.3
82.06589	0.4
83.06085	0.4
84.08146	4.2
85.02885	0.7
91.05490	0.3
93.60262	0.2
96.88256	0.2
97.02884	0.5
98.97605	0.4
115.05412	0.3
121.06506	2.3
128.06227	0.5
131.08553	0.4
136.06165	1.0
136.07513	0.2
137.38960	0.2
143.08551	1.8
148.05145	0.5
149.05992	0.3
150.07764	14.2
153.01904	1.2
159.08069	1.0
160.05179	0.9
160.11244	0.9
161.05968	1.4
161.09689	0.3
162.01782	0.2
162.04242	0.2
162.05418	1.1
164.07065	3.1
171.08066	1.7
174.06677	0.3
176.07141	0.7
177.07857	21.1
178.08533	0.4
188.10695	1.7
189.09123	0.5
204.10146	0.3
206.11775	100.0
207.12119	0.8
264.15942	1.2
282.13446	0.8
282.17017	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.2
52.19025	0.6
53.03953	6.7
55.01876	3.6
55.05268	1.1
55.05515	15.0
57.03441	16.7
57.07075	0.7
65.03931	3.0
67.05510	42.1
69.03437	7.7
69.07072	8.2
69.82378	4.4
71.01350	0.9
71.04994	1.6
71.80906	0.7
73.06573	1.8
76.91165	0.7
77.03941	1.4
79.01862	1.8
79.05499	60.5
81.03415	7.5
81.07062	31.8
83.04991	14.6
83.08630	4.7
85.02911	4.5
85.06543	1.5
87.04471	1.0
91.05486	40.1
93.03421	0.9
93.07049	100.0
94.07388	0.8
95.04975	15.4
95.08614	21.7
97.02887	8.0
97.06544	3.3
97.10178	3.0
99.08118	1.1
103.05455	2.0
105.04526	1.9
105.07041	34.5
106.07369	1.3
107.04967	3.3
107.08600	18.1
109.06551	5.0
109.10173	3.3
111.04450	1.7
111.08099	2.0
115.03944	1.3
115.05430	1.6
117.07024	5.2
119.07721	0.8
119.07879	0.4
119.08588	19.0
121.06536	4.7
121.10152	73.2
123.04514	0.9
123.08066	6.4
128.06219	1.7
129.07031	10.2
131.08588	8.7
133.06535	1.3
133.07581	1.3
133.10150	7.5
135.08101	1.3
135.11703	1.8
137.05983	1.3
137.09608	2.8
139.03902	1.4
141.05486	1.8
142.07713	0.8
143.03366	1.0
143.08592	5.2
145.10127	7.3
147.08058	3.3
147.11702	19.1
149.09624	22.5
149.10759	1.4
153.01842	12.2
153.02977	1.6
155.08490	0.9
159.08060	1.1
161.09625	3.8
161.13280	6.9
163.11235	0.9
167.10687	1.6
169.05002	1.2
171.11702	13.4
187.11345	1.0
189.12772	6.4
199.11411	0.8
207.13776	5.2
223.02428	0.9
233.11760	0.9
248.75624	0.8
253.12852	0.7
281.13904	6.5
281.17551	16.3
281.20978	2.9
299.06335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74330	0.4
53.03923	0.6
55.05514	5.0
56.96549	0.7
57.07082	6.0
67.05479	0.5
68.99778	0.5
69.07052	1.1
70.65911	0.7
70.66228	0.9
72.08179	2.8
78.20302	0.4
79.05493	1.2
80.27003	0.5
81.03421	1.0
81.07053	1.5
84.08132	0.7
86.09692	0.6
87.08113	27.7
91.05460	1.1
95.04968	0.5
105.07001	2.2
106.06551	0.6
107.04986	0.7
111.98798	0.5
115.05476	1.5
120.04465	3.3
121.02856	3.7
121.06512	1.0
123.04414	1.4
131.04930	0.9
133.06534	3.9
134.05980	1.1
138.05493	0.7
139.03877	1.4
143.04909	1.7
145.06468	1.4
147.04393	0.6
153.01910	1.0
153.05464	1.8
159.04385	1.8
161.05994	4.8
162.05522	1.5
163.03911	1.7
164.04626	1.0
165.05525	2.5
173.05986	2.0
177.05447	2.8
179.05505	0.7
179.07048	14.9
180.06567	100.0
181.06662	0.5
191.07062	3.1
193.07359	2.7
196.09702	13.6
215.10715	1.8
233.11772	4.8
236.14014	0.6
238.17964	2.4
250.14406	33.0
251.14934	0.7
263.00827	0.8
282.17038	58.1
282.20212	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25185	1.0
53.03951	8.0
55.01861	4.3
55.05515	32.2
55.91504	1.0
57.03442	33.1
57.07072	1.5
59.04996	1.0
65.03933	3.8
67.05508	79.9
68.89888	1.0
69.03422	4.1
69.07075	14.7
69.65101	3.9
69.65501	2.0
71.04980	3.4
73.06548	1.8
79.01851	1.1
79.05499	100.0
81.03429	11.2
81.07059	54.4
83.04988	32.7
83.08611	7.3
85.02895	2.9
85.06528	3.9
91.04901	2.4
91.05485	63.1
93.07050	79.0
95.04377	1.4
95.04976	26.5
95.08609	36.0
97.02915	2.2
97.06528	3.6
97.10165	4.4
98.20736	1.1
99.08089	1.4
103.05460	1.1
105.04509	2.7
105.07036	49.4
107.04955	4.9
107.08597	22.8
109.06525	6.9
109.10163	9.0
111.08089	1.4
115.05435	2.9
117.07002	9.8
118.78255	1.0
119.08591	26.6
121.06493	3.2
121.10152	18.9
123.08042	7.6
123.11742	1.1
125.02383	1.2
128.06226	3.4
129.07018	14.6
130.07745	1.4
131.08577	5.5
131.84578	1.0
133.10127	11.6
135.08012	1.8
135.11707	2.9
137.09621	1.7
143.03409	1.7
143.08578	10.2
145.10135	13.1
147.08076	3.4
147.11688	34.5
149.02350	3.2
149.09624	5.4
153.01839	25.3
153.02948	2.9
161.09616	5.8
161.13281	12.2
163.11168	2.1
171.11687	24.6
189.12740	9.1
207.13806	10.8
236.18655	1.0
264.23047	1.0
266.99985	1.0
270.82214	0.9
280.19656	1.0
281.10309	1.9
281.14413	1.6
281.17441	27.4
288.64624	1.0
293.10156	1.1
299.06125	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03942	10.0
55.01852	6.4
55.05272	2.4
55.05515	30.4
57.03440	33.5
59.64552	2.1
62.96592	2.0
65.03937	5.3
67.05507	89.1
69.03432	3.4
69.06792	1.5
69.07067	17.6
70.11716	5.1
70.12132	3.4
71.04990	4.2
73.06524	2.0
77.03924	2.0
79.05498	100.0
81.03425	16.3
81.06595	3.6
81.07059	65.7
83.04987	34.0
83.08632	10.7
85.06523	3.8
91.05486	73.6
91.41741	1.7
91.99595	2.2
93.07047	76.3
95.04969	26.1
95.08063	2.6
95.08614	32.9
97.02848	1.9
97.06513	6.0
97.10150	6.2
105.04509	4.3
105.07034	52.4
107.04941	6.6
107.08600	22.1
109.06528	11.3
109.10150	7.5
112.44578	2.0
114.71877	1.8
117.07043	12.3
119.08575	33.4
121.06506	5.6
121.10086	4.3
123.08061	7.9
128.06224	1.9
129.07008	14.9
131.08574	1.8
133.06451	2.0
133.10138	14.9
135.11684	4.6
142.95961	1.9
143.08554	11.0
145.10126	14.8
147.08008	2.2
147.11702	43.6
153.01842	30.3
161.09621	5.5
161.13290	12.4
163.11247	2.3
171.11707	28.1
189.12805	12.6
207.13797	12.3
281.17471	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	281.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	9.4
55.01867	5.7
55.05271	2.1
55.05516	34.2
57.03443	31.7
57.07078	2.5
61.60826	1.4
65.03940	4.7
67.05511	85.7
68.27702	1.6
69.03423	2.8
69.07072	19.3
70.63212	5.1
71.04986	3.8
72.08153	2.9
73.06541	2.0
79.01854	1.5
79.05499	100.0
81.03423	11.4
81.07059	58.2
83.04984	30.0
83.08626	10.0
85.06523	3.6
86.70348	1.6
91.05492	60.4
93.07049	69.6
95.04971	27.7
95.08620	37.3
97.06538	5.0
97.10188	4.1
103.05477	2.6
105.04551	1.8
105.07040	47.8
106.23040	1.6
107.04987	8.0
107.08612	16.7
109.06496	7.6
109.10184	9.5
111.04523	2.1
117.07056	10.4
119.08587	33.2
121.06512	3.3
121.10155	5.6
123.08063	8.9
127.07547	2.4
128.06255	2.3
129.07013	21.7
131.08591	4.1
133.06560	1.8
133.10149	13.1
135.08025	1.8
135.11720	3.0
143.03442	1.6
143.08559	9.3
145.10115	14.1
147.08058	2.2
147.11708	39.8
153.01843	26.1
153.03001	3.0
161.09616	5.6
161.13255	14.8
169.10078	2.0
171.11702	29.6
175.13078	1.7
189.12729	11.2
207.13799	11.4
264.23422	2.0
281.17487	37.9
281.25787	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02379	1.7
53.03947	8.7
55.01867	6.3
55.05268	2.7
55.05513	37.2
56.79290	1.6
57.03193	2.8
57.03440	30.7
57.07075	2.7
57.65404	1.7
65.03928	6.0
66.66001	1.9
67.05508	92.9
69.07066	16.0
71.04986	4.6
71.51624	3.0
79.05499	100.0
81.03423	15.6
81.07062	64.6
83.04988	33.7
83.08630	12.5
85.06570	2.7
91.05487	65.1
93.07049	71.0
95.04977	26.2
95.07994	2.2
95.08611	43.6
97.02882	1.9
97.06524	6.5
97.10170	6.2
99.98637	2.0
101.72276	1.8
105.04534	4.5
105.07032	44.9
107.04939	5.2
107.08598	18.7
109.06514	8.9
109.10136	10.1
113.68851	1.6
117.07000	12.4
119.08590	30.0
120.86021	1.9
121.06512	3.2
121.10148	5.6
123.08055	10.1
128.06213	3.7
129.07005	16.6
131.08594	4.2
133.10152	14.8
135.11658	2.3
137.09641	2.5
143.08572	11.2
145.10182	10.0
147.08090	3.9
147.11694	46.0
155.08459	2.0
161.09669	5.0
161.13263	16.8
163.11182	4.1
171.11693	30.5
182.32657	1.9
189.12752	10.7
207.13800	12.7
260.61725	1.9
281.14758	3.0
281.17480	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03949	9.6
55.01867	5.1
55.05275	2.4
55.05516	35.8
57.03158	1.8
57.03440	34.5
57.07063	3.2
59.12057	1.7
65.03934	6.2
67.05511	93.0
69.03436	2.4
69.07069	17.6
69.39771	2.6
69.40169	9.5
71.04993	2.6
71.08633	2.1
73.06561	2.4
77.03931	2.4
79.05501	100.0
81.03422	15.3
81.07064	63.0
83.04991	32.3
83.08630	8.3
85.06543	4.2
88.55542	1.5
90.50913	1.5
91.05489	64.8
93.07053	74.5
95.04977	25.0
95.08617	39.9
97.06522	9.0
97.10161	5.1
98.21487	2.9
105.04507	3.4
105.07038	54.3
107.04939	4.6
107.08600	20.7
109.06532	10.4
109.10170	8.1
111.08041	1.9
117.07042	9.8
119.08591	30.7
121.06503	3.8
121.10157	4.1
123.08088	9.0
127.07580	2.2
128.06239	3.3
129.07008	17.6
130.07829	1.6
131.08598	2.9
133.10161	14.1
135.11728	3.2
141.03081	1.5
141.09042	2.0
143.08566	10.3
145.10123	12.3
147.08089	3.6
147.11696	41.4
153.01833	7.3
156.09389	1.8
161.09615	4.3
161.13281	16.8
167.83029	1.7
171.11700	30.7
171.13133	2.0
171.82417	1.5
174.06143	1.7
189.12726	10.4
207.13838	11.7
281.17487	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1497
Annotation	7beta-Hydroxycatuabine I
Peak:m/z	Relative Intensity
53.03951	0.7
56.05009	0.4
57.03436	2.9
59.50783	0.4
61.02929	1.3
66.11255	0.3
69.03440	4.7
69.77970	2.1
70.06601	0.7
71.01345	0.8
71.04992	1.3
72.08164	1.9
73.02929	0.7
75.04482	0.5
81.03397	0.4
84.04513	0.4
87.04456	0.4
89.10828	0.4
99.04446	1.3
105.03374	0.5
119.03580	1.5
120.06591	0.8
120.08125	0.3
123.07951	0.8
126.42499	0.4
127.08708	0.6
132.06824	1.3
133.02864	1.2
136.06198	22.4
137.04634	0.6
147.09181	83.8
148.09525	0.9
159.09198	1.0
161.02361	0.7
162.04132	13.1
164.52220	0.4
171.39162	0.4
178.05058	0.4
189.02399	0.3
193.04924	0.8
209.15733	0.4
264.12451	0.4
281.09988	2.6
281.14975	100.0
282.15305	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03949	9.6
55.01866	3.3
55.05513	34.5
57.03440	30.5
57.07071	1.8
60.77171	1.1
65.03928	3.4
67.05508	100.0
69.07076	17.7
71.04975	3.9
73.06557	2.9
79.05497	99.9
81.03422	14.4
81.07058	68.6
83.04986	31.5
83.08624	9.7
85.06538	3.6
91.05484	70.6
93.07047	78.4
94.37975	1.1
95.04968	26.3
95.08612	44.1
97.02918	1.2
97.06554	7.1
97.10171	5.0
98.21518	3.9
100.52003	1.2
103.44807	1.2
103.59446	1.2
105.04553	3.3
105.07037	52.7
105.30602	1.1
107.04955	5.9
107.07953	2.1
107.08596	18.4
109.06547	9.1
109.10146	8.2
111.08106	2.4
117.07030	10.4
119.07803	2.2
119.08588	30.2
120.89956	1.2
121.06509	4.1
121.10152	4.4
121.61649	1.1
122.24114	1.2
123.08089	9.3
123.11668	1.5
127.07513	2.1
128.06224	3.6
129.07013	19.6
131.08571	3.2
133.10152	12.8
135.11696	4.2
143.08563	10.1
145.10141	13.2
147.08031	3.8
147.11694	42.0
153.01808	4.3
161.09602	4.2
161.13261	16.2
163.11115	2.2
171.11697	30.3
189.12746	11.6
207.13773	13.6
229.16003	1.1
246.22922	1.3
251.10745	1.9
281.17615	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	281.1498
Annotation	7beta-Hydroxycatuabine I
Peak:m/z	Relative Intensity
50.02110	0.3
51.72923	0.3
53.03939	0.7
53.23538	0.3
55.05512	0.9
56.05053	0.4
57.03440	3.0
59.05018	0.5
59.90542	0.3
61.02924	1.7
66.05347	0.4
69.03435	5.1
70.06590	0.3
71.01362	1.0
71.04997	1.3
71.50548	0.4
72.08157	1.2
73.02912	0.8
75.04474	0.6
79.05492	0.5
79.34751	0.3
81.03439	1.1
81.07083	0.4
83.04993	0.3
84.04504	1.1
84.08147	1.4
85.02927	0.5
88.98631	0.4
91.05467	0.4
93.07066	0.8
93.71166	0.3
94.06585	0.5
95.04932	0.4
99.04460	2.0
99.86514	0.3
105.03403	0.5
105.07049	0.4
106.16993	0.4
107.04903	0.3
107.08661	0.4
107.56173	0.4
108.08128	0.4
109.06521	0.4
111.59523	0.4
118.01278	0.4
120.04465	2.9
120.08126	0.9
122.06049	1.3
124.07606	1.6
132.06871	0.6
133.02858	0.6
135.08133	0.3
140.07098	0.8
145.07602	0.6
146.08435	0.7
147.09183	91.3
148.04689	0.5
148.09526	1.1
153.01849	0.7
159.09238	0.9
161.09619	0.4
163.11279	0.4
164.01817	0.7
173.10788	0.4
183.08040	0.4
191.07080	0.3
193.04984	1.2
235.07703	0.4
239.07144	0.5
263.14111	0.7
281.14978	100.0
282.15155	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.5
55.01860	6.9
55.05500	7.8
57.03434	3.1
59.04995	2.5
61.02904	3.4
65.03942	9.2
67.05502	13.8
68.11700	2.3
69.03432	13.5
69.07062	3.1
70.06570	3.3
70.28246	8.6
71.04988	8.2
72.08144	13.0
79.05495	14.6
81.03418	18.7
81.07041	12.4
83.04979	23.1
84.04469	2.1
87.04458	6.3
91.05481	26.9
93.03416	7.7
93.07034	14.9
95.04961	19.7
95.08605	7.3
97.02898	43.8
97.06529	3.3
99.04442	4.6
103.05470	3.5
105.07026	28.2
107.04948	7.2
107.08591	20.5
108.05732	11.0
109.02908	14.5
109.06498	23.2
109.10146	4.0
111.04425	13.9
111.08072	10.9
117.07014	7.3
119.08521	11.5
120.08121	4.8
121.02860	7.3
121.06503	15.6
121.10143	3.4
123.04471	3.0
123.07970	10.2
124.07635	2.8
125.05995	3.1
127.03896	3.0
128.06216	3.0
129.05554	3.3
129.06956	6.0
131.08583	26.2
133.02870	15.8
133.06487	10.8
133.10132	11.1
133.46346	2.5
135.04436	3.6
135.08063	8.8
137.02303	11.3
137.05988	5.2
139.03917	19.4
141.07002	4.4
142.07735	8.5
143.08578	10.0
145.06499	15.4
145.10101	6.5
147.04437	5.7
147.08052	6.7
147.09160	88.2
147.11708	7.1
148.04762	6.9
149.06075	2.8
149.09645	4.0
150.07755	32.3
151.08261	20.0
153.01837	6.4
153.05473	6.8
157.04944	3.8
157.10161	16.7
159.08067	37.8
159.11642	4.6
161.02356	9.2
161.06003	5.1
161.09634	9.6
163.07552	6.9
169.10147	3.4
171.11684	5.3
173.09717	3.1
175.07512	4.7
175.11205	10.2
177.09077	12.5
179.07069	8.0
181.10208	2.9
185.09648	8.2
187.07616	12.5
187.11140	3.0
187.43779	2.5
189.12721	4.0
193.04941	21.7
195.10080	3.8
199.11169	10.3
203.10696	8.9
205.08597	68.9
215.10764	2.5
217.08737	3.2
217.12236	7.9
221.11765	9.3
223.09708	14.0
227.10672	3.1
235.13380	4.1
245.11734	9.1
249.15387	17.6
263.12683	13.5
264.12439	3.6
264.15619	2.6
281.10538	5.4
281.14844	100.0
281.18039	33.0
299.06113	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	281.1385
Annotation	Varitriol
Peak:m/z	Relative Intensity
53.03941	2.8
55.01865	3.0
55.05511	5.6
65.03941	2.5
67.05505	8.2
68.99789	2.0
69.03421	6.0
69.07073	3.8
70.06580	5.3
71.00400	1.5
71.01342	1.8
71.05003	3.9
71.50319	1.6
72.08166	14.5
73.04772	2.1
74.06054	2.2
76.73972	1.6
79.05481	6.9
81.03413	7.5
81.04533	5.3
81.07080	8.9
83.04980	7.5
84.04485	2.4
84.08147	3.5
85.02856	2.9
85.06524	3.3
86.09713	2.2
87.04501	2.1
89.10786	5.0
91.05479	13.0
93.03419	2.5
93.07035	9.8
95.04967	6.7
95.08611	4.4
96.08160	1.6
97.02891	13.9
97.06523	4.9
105.03397	8.0
105.07037	19.3
107.04951	7.1
107.08581	11.9
108.05717	1.6
108.08188	1.7
109.02844	4.9
109.06541	11.2
109.10133	4.3
110.06053	2.4
111.04459	7.3
111.08054	3.5
113.06013	4.5
117.07012	5.6
119.03557	4.5
119.04894	3.1
119.08584	11.7
120.06571	2.4
120.08117	3.1
120.26599	1.5
121.02851	4.0
121.06543	8.8
121.10166	1.7
122.07139	7.3
123.04425	3.0
123.07951	38.6
127.07599	2.6
128.06201	5.0
129.07004	6.7
130.05022	2.2
131.04929	3.2
131.08572	15.1
131.66661	1.6
133.02890	10.8
133.06496	7.7
133.10114	7.6
135.04437	2.2
135.08057	9.7
136.06187	89.0
137.02342	5.6
137.04561	1.7
137.05948	4.7
137.09624	2.1
138.05608	1.8
138.18556	1.6
139.03894	4.5
141.06992	3.1
142.07817	8.9
143.08577	9.6
144.09291	1.8
145.02875	4.4
145.06520	3.8
145.10123	6.2
147.04425	2.5
147.08057	6.4
147.11700	5.2
148.04765	4.1
149.05960	3.3
149.09601	5.2
151.02820	2.3
151.03905	3.3
151.07538	6.1
152.14384	1.6
153.01831	6.4
155.08511	3.2
156.09349	5.3
157.10124	19.5
159.08043	14.7
159.11688	3.4
161.02335	6.3
161.09592	8.5
161.10753	7.7
162.04123	44.4
162.11540	9.4
163.07582	3.7
165.05629	2.3
165.07726	3.0
165.09087	2.9
171.11682	8.2
173.09615	5.0
175.11153	13.8
177.05574	3.7
177.09181	3.8
179.07085	1.9
181.10054	3.4
185.09583	8.1
187.07545	4.3
187.11186	7.5
189.12743	3.8
191.07028	2.4
191.10721	2.2
193.04959	15.4
199.11124	9.6
200.19389	1.5
203.10617	11.7
205.08614	16.8
215.10695	5.5
217.11955	9.5
219.14844	1.6
221.11803	4.7
223.02451	2.5
223.09654	4.1
227.10664	5.1
233.11800	3.1
235.14476	3.0
245.11797	6.1
263.10178	2.9
263.13000	10.5
266.99924	3.9
281.10529	31.9
281.13965	100.0
283.02985	2.2
299.06122	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1386
Annotation	Solstitialin
Peak:m/z	Relative Intensity
51.02372	4.6
53.03942	8.3
53.91751	4.2
54.13883	3.4
55.01870	6.5
55.05511	7.8
65.03920	7.1
67.05511	18.9
68.99792	6.0
69.03422	13.8
69.07059	4.2
70.02965	9.4
70.28567	9.3
71.04998	5.5
72.08153	16.3
72.08540	3.6
74.02438	6.2
79.05507	26.3
81.03429	18.2
81.04530	11.0
81.07048	37.7
82.05320	8.6
83.04961	8.2
88.03983	9.6
89.10773	5.4
91.05477	59.7
93.07054	31.0
95.05005	22.4
95.08604	13.1
97.02910	6.3
97.06546	9.1
99.04453	11.0
103.05466	13.2
105.03413	7.4
105.07034	49.1
107.04953	17.7
107.08604	22.2
109.02882	28.4
109.06532	25.8
109.10184	8.7
111.04451	13.3
111.08030	5.7
115.05457	17.3
117.07030	50.0
119.03555	4.4
119.04989	9.4
119.08618	37.7
120.06638	8.2
120.08126	66.6
121.06528	26.1
121.17484	4.2
122.07173	14.9
123.07952	100.0
125.06100	5.2
127.03919	20.4
128.06224	17.2
129.06981	25.4
130.07774	4.8
131.04915	17.0
131.08577	38.0
133.06499	11.7
133.10138	13.2
135.04388	4.7
135.08075	53.2
136.06206	67.1
137.05986	10.7
137.09622	10.9
141.06996	17.9
142.07770	29.8
143.08580	43.6
144.05704	11.1
144.09335	4.5
145.06508	66.8
145.10121	36.7
147.08049	13.4
147.11612	4.7
149.06024	18.2
149.09602	6.9
151.03925	4.2
153.01802	4.7
153.05533	6.7
153.06897	4.7
155.03442	8.4
155.07051	5.0
155.08566	14.3
156.09328	17.0
157.06488	7.5
157.10181	39.6
158.07307	14.4
159.08067	32.9
159.11710	13.3
159.74911	4.1
161.05925	11.1
161.09633	12.4
162.04129	35.4
162.11462	5.7
162.68814	3.8
163.07578	23.9
164.30374	4.5
165.09123	22.9
166.08658	14.8
167.10724	3.6
169.10143	10.3
171.08031	8.0
171.11693	27.0
172.08939	3.9
173.05963	7.7
173.09636	43.8
175.08778	7.7
175.11209	12.8
177.09142	4.2
179.07124	4.9
181.10100	9.3
183.08031	8.4
184.08873	5.3
185.09628	26.3
187.07458	4.9
187.11194	22.9
189.12727	7.9
191.07074	38.8
191.10696	21.0
193.04990	7.0
197.09619	8.8
199.11156	38.0
201.09142	16.8
203.10742	17.2
205.08650	7.6
205.12268	6.7
206.11761	8.3
209.08128	13.9
212.32541	4.2
215.10783	20.0
217.12184	10.1
219.10146	17.0
221.11844	4.8
223.09769	6.7
227.10674	12.1
233.11664	18.6
235.10809	9.2
235.13248	4.4
245.11671	29.6
251.12756	8.0
263.10349	6.6
263.12665	24.7
281.10678	59.7
281.13983	59.7
299.06073	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	281.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
54.03476	1.8
55.04250	2.6
55.05515	2.8
59.05003	1.1
65.03943	1.4
67.05504	3.8
68.42727	0.7
68.99788	1.0
69.03435	3.4
70.06592	1.5
71.04992	1.2
71.14267	2.1
72.08150	3.7
79.05504	5.1
81.03446	4.1
81.04543	13.6
81.07053	5.6
82.05338	8.4
83.04980	6.5
84.08147	1.0
85.02913	1.7
89.10809	1.3
91.05482	12.1
93.07043	5.4
95.04987	5.8
95.08620	3.0
96.97220	0.8
97.02921	1.0
97.06522	2.0
98.97598	0.9
99.04470	1.7
103.05458	1.5
105.03407	0.8
105.07047	11.1
107.04952	1.1
107.08598	5.9
108.05624	1.3
109.02883	11.3
109.05904	0.8
109.06516	4.6
109.10156	1.7
111.04447	1.2
111.08092	1.0
113.06046	1.3
114.05537	0.8
115.05444	2.0
116.06270	1.0
116.07027	0.7
117.07022	7.0
119.03578	1.9
119.04986	3.3
119.06089	3.4
119.08597	8.6
120.06629	1.2
120.08123	2.2
121.06512	4.8
121.10192	0.7
122.07164	20.9
123.07943	100.0
125.06049	1.2
127.03930	4.3
128.06189	3.7
129.07005	5.1
130.07820	1.6
131.08580	8.4
133.02882	3.0
133.06537	1.9
133.10172	2.4
135.04445	1.0
135.08049	7.4
136.06197	23.8
136.07677	1.2
137.04648	1.2
137.05989	2.1
137.07901	0.8
137.09705	1.1
139.03873	1.3
141.07002	2.5
142.07787	5.6
143.08575	5.2
144.09367	1.1
145.06526	5.8
145.10121	7.9
146.82535	0.9
147.08096	2.9
147.11752	2.0
149.06000	1.6
151.02861	0.9
151.03973	1.1
153.01904	3.7
153.03069	0.8
153.06886	0.8
155.03444	3.0
155.08571	1.6
156.09372	3.5
157.10138	6.1
158.07330	1.2
159.08083	4.8
159.09279	1.0
159.11725	3.6
161.02426	1.5
161.05942	1.6
161.09602	3.9
162.04100	14.0
163.07529	4.6
165.07745	5.5
165.09125	2.1
168.09407	1.0
171.11739	3.9
173.09692	2.8
175.07639	1.3
175.11255	3.5
177.09132	1.6
177.12735	1.2
181.10089	1.3
185.09628	2.1
187.07585	1.1
187.11244	3.2
189.09256	1.2
189.12827	3.7
191.07104	1.9
193.04994	2.8
199.11229	6.7
203.10707	0.9
205.08572	1.3
205.12302	1.0
209.08006	4.5
215.10757	1.5
217.12236	5.4
219.10223	1.1
221.11838	1.5
223.09868	1.1
227.10844	1.8
233.11815	1.7
235.13217	0.9
245.11832	2.6
251.12816	1.4
263.10516	0.8
263.13159	2.9
264.12357	1.2
267.00024	1.4
270.58493	1.0
275.36398	0.9
281.10760	59.6
281.14059	12.2
283.03241	1.3
299.06268	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	281.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.8
55.01868	2.0
55.05511	3.2
56.00527	0.7
56.89281	0.7
57.03444	4.2
67.05507	4.9
69.03435	7.8
69.07053	1.1
69.81442	3.6
71.01350	2.5
75.04481	1.3
77.03931	1.6
77.04366	0.8
79.01848	1.7
79.05503	25.4
81.03424	1.3
81.07065	5.5
83.04990	1.3
85.02915	9.1
87.04473	1.1
91.05486	20.0
93.07052	100.0
95.04983	6.7
95.08623	8.4
97.02909	10.6
97.06510	1.1
101.10172	0.9
103.05453	1.8
105.07035	16.0
107.04942	1.7
107.08604	20.5
109.06504	2.4
109.10156	2.1
111.04444	2.7
111.08090	1.4
115.03932	2.1
116.06257	1.3
117.07021	1.9
119.08586	7.7
121.06525	4.7
121.10154	95.5
123.04409	1.0
123.08062	1.9
125.09649	0.9
129.07008	1.9
131.08575	10.9
133.07597	1.1
133.10133	2.3
135.08047	1.4
137.09633	3.2
139.03920	1.8
141.05441	1.7
143.03398	1.6
143.08571	1.6
145.10150	2.3
147.08046	1.3
149.09634	40.4
153.01837	21.8
153.02954	1.7
157.10168	1.1
159.11668	1.2
161.09612	2.5
163.11192	1.1
167.10654	2.6
171.11743	1.1
173.09630	1.3
175.11299	0.7
187.11212	1.2
189.12891	1.1
215.10733	1.0
233.11819	0.9
242.94676	0.8
268.25574	0.9
281.13864	8.2
281.18680	1.8
297.86011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43585	0.8
52.97735	0.8
53.03938	3.9
53.22797	0.8
55.01885	1.9
55.05521	5.8
57.03425	3.6
65.03938	0.8
67.05516	5.8
69.03436	8.6
69.07084	1.6
69.81384	4.3
71.01349	1.1
79.01868	1.9
79.05499	26.9
81.03432	2.0
81.07069	6.0
83.04962	2.3
84.22412	0.8
85.02914	8.7
91.05488	20.8
93.03413	1.5
93.07050	96.3
95.04964	7.5
95.08621	7.3
97.02896	9.7
97.06524	1.8
98.20840	1.1
103.05481	2.0
105.04486	1.1
105.07042	14.8
106.07318	1.8
107.04973	1.2
107.08598	19.2
109.06493	2.3
111.04459	2.0
111.08095	1.5
112.72139	0.9
115.03929	1.9
115.05427	1.2
116.06290	1.5
117.07011	1.5
119.08599	8.6
121.06519	4.0
121.10154	100.0
123.04440	1.4
123.08099	2.1
129.07019	1.7
131.08589	9.1
133.10132	1.8
137.05931	1.1
137.09607	2.6
139.03915	2.9
141.05420	2.3
143.03419	1.7
143.08565	2.1
145.10114	1.8
147.08052	2.0
147.11722	1.8
149.09630	35.0
153.00589	1.1
153.01848	20.8
153.02965	1.3
160.11186	1.1
161.11542	2.0
163.11179	0.9
167.10632	1.7
171.11661	1.5
173.09659	1.5
175.11128	1.1
187.11147	1.3
193.14275	2.0
198.90646	1.0
221.13774	4.1
223.02234	0.9
281.13760	7.9
281.21002	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	281.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14865	0.4
53.03942	0.8
54.03458	0.5
55.05503	0.5
56.05034	1.4
57.68335	0.4
61.40077	0.5
67.05490	0.9
68.99793	0.6
69.03435	0.9
69.07038	0.6
69.94633	0.4
70.02947	1.7
70.06604	0.5
72.08167	3.1
73.04770	0.5
74.06086	2.7
79.05493	1.9
81.03420	1.2
81.04544	1.8
81.07047	2.0
82.05309	1.1
83.04977	1.1
88.04013	2.2
89.10777	1.2
91.05482	4.6
93.07051	1.9
94.04061	0.7
95.04983	1.5
95.08585	0.5
99.04446	1.0
102.05512	0.8
103.05459	1.2
105.07044	3.0
107.04948	1.3
107.08604	1.6
109.02883	1.2
109.06518	1.6
109.10136	0.6
111.04427	0.7
113.92915	0.4
115.05483	0.8
117.06992	2.3
119.03563	5.6
119.04913	0.8
119.08573	2.8
120.06626	5.6
120.08108	12.6
121.06504	1.8
121.10125	0.5
122.07140	2.9
122.36539	0.4
123.07951	14.4
125.05995	0.5
127.03932	2.0
128.06229	1.1
129.07018	1.8
130.06587	0.5
131.04947	1.1
131.08583	2.7
133.06517	0.7
133.10187	0.9
135.04468	0.5
135.08069	2.5
136.06194	100.0
137.04587	2.7
137.06660	0.6
141.06972	0.6
142.07799	1.6
143.08571	1.9
144.08153	0.6
144.09373	0.4
145.06526	3.9
145.10121	2.4
147.08069	1.2
147.09149	0.6
149.06004	1.3
151.03957	0.7
153.01830	0.9
156.09370	0.7
157.06496	0.5
157.10110	1.9
159.08057	2.6
159.11639	0.8
160.04312	0.5
161.05974	0.8
161.09592	0.8
162.04121	53.4
163.07555	1.3
165.09128	1.3
166.08664	4.3
169.10158	1.2
171.08095	0.7
171.11719	1.8
172.07588	0.7
172.19720	0.5
173.06032	1.1
173.09601	2.3
175.08730	0.7
177.07834	1.1
181.10188	0.7
185.09654	1.3
187.11153	1.1
191.07054	1.8
191.10742	1.4
193.05000	1.7
197.09610	0.7
199.11218	1.8
200.07083	2.0
203.10715	1.6
205.08725	0.8
206.11787	3.7
209.08014	0.7
215.10719	1.1
216.12663	0.8
217.12166	0.9
219.10141	0.9
221.09311	0.6
227.11920	0.8
233.11726	0.9
235.10849	2.9
245.12778	1.3
246.07706	1.5
263.12863	1.5
264.12524	0.8
266.99811	0.8
281.10458	14.4
281.14423	3.2
283.02979	0.5
299.06168	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03480	2.4
55.04247	2.7
58.00742	0.3
66.07679	0.3
70.02946	0.4
70.88862	1.0
72.08159	2.0
81.04542	13.0
82.05322	7.8
89.10800	0.8
91.05450	0.3
96.06863	0.5
97.07658	0.4
105.03349	0.5
108.05621	1.1
110.07146	0.7
120.81081	0.3
121.07624	0.4
122.07161	19.8
123.07938	100.0
124.08298	0.6
133.02837	1.9
136.06190	5.9
153.01843	0.4
160.04289	1.5
161.02339	1.3
162.04115	1.3
165.07745	5.2
171.01140	0.3
193.04955	2.2
196.38943	0.3
248.66983	0.3
267.00098	0.4
281.10684	63.6
282.10962	1.1
299.06262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.3
51.02377	0.6
55.05500	0.8
63.29855	0.3
65.03926	0.4
67.05501	0.7
69.03439	0.8
71.04929	0.7
79.01862	5.9
83.04991	3.2
85.02902	0.5
91.05485	0.6
97.02905	1.7
107.01328	1.1
111.04453	5.2
115.05478	0.3
117.07038	0.4
119.04961	0.4
123.00816	0.3
125.02346	3.5
129.05504	0.8
133.02861	0.3
139.03934	0.8
143.03403	7.2
147.04425	0.8
153.01842	100.0
153.02927	7.6
154.02222	0.4
161.06024	0.6
163.03879	1.7
177.01875	0.4
179.03409	1.1
181.01311	1.5
189.05429	0.5
191.03369	2.5
193.04956	0.5
195.02917	1.1
201.05501	0.5
207.02888	1.7
209.04480	1.1
219.02914	1.0
219.06557	0.9
221.04518	1.1
223.02409	3.9
235.05939	0.5
237.03961	2.4
245.04276	0.4
263.05438	0.7
273.45636	0.3
281.06555	5.1
297.49020	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.6
51.60916	0.3
55.01868	0.5
55.05500	1.2
57.03430	0.7
58.18282	0.3
65.03922	0.4
67.05508	2.8
69.03415	0.5
69.07072	0.5
69.62965	1.8
79.01855	6.9
79.05477	2.5
81.03420	0.5
81.07068	1.7
83.04984	4.1
83.08656	0.3
85.02876	0.8
87.00790	0.3
91.05464	1.8
93.07043	1.9
95.04989	0.5
95.08614	1.2
96.88074	0.3
97.02914	1.5
105.07027	1.1
105.53012	0.3
107.01328	1.4
107.04947	0.6
111.04446	6.1
111.05178	0.2
117.07005	0.4
119.08590	1.1
125.02350	3.8
129.05508	0.5
129.07039	0.5
133.02876	0.5
133.10175	0.4
139.85190	0.4
143.02313	0.6
143.03404	7.6
145.06503	0.4
147.04399	1.1
147.11690	0.6
151.03928	0.4
153.01836	100.0
153.02911	7.1
154.02170	0.7
161.05956	0.6
163.03886	1.8
165.05540	0.4
171.11714	0.6
175.03818	0.5
179.03438	1.7
181.01328	1.6
189.05501	0.5
191.03394	2.5
193.04912	0.5
195.02878	1.6
201.05447	0.6
207.02919	2.5
207.06564	0.6
209.04460	0.9
211.02435	0.7
217.04848	0.5
219.03008	0.4
219.06543	0.9
221.04451	2.0
223.02367	5.3
237.03903	2.0
263.05615	0.9
281.06555	4.7
281.17517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.7
55.01861	0.3
55.05502	0.5
65.03947	0.4
67.05489	0.7
69.03433	0.8
70.30325	0.3
71.05032	0.7
79.01858	6.2
80.09095	0.2
83.04994	2.7
85.02903	0.8
97.02900	1.1
103.34624	0.3
107.01351	1.4
111.04443	6.6
115.05503	0.3
125.02357	3.1
129.05486	0.6
133.02873	0.4
139.03915	0.9
143.03403	5.9
145.06488	0.4
146.34958	0.3
147.04433	0.5
153.01839	100.0
153.02919	7.4
154.02118	0.7
161.06050	0.4
163.03954	1.4
165.47128	0.3
173.05965	0.7
175.03952	0.3
177.01822	0.4
179.03339	1.5
181.01352	0.7
189.05441	0.8
191.03377	2.7
195.02957	0.7
201.05472	1.0
203.83592	0.3
207.02956	2.3
209.04512	0.9
217.04982	0.3
219.02936	0.8
219.06549	0.8
221.04422	0.7
223.02351	3.3
224.24246	0.3
235.06161	0.3
237.03947	2.6
245.04463	0.4
249.40662	0.3
281.06604	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	281.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
52.31025	0.2
55.01867	0.5
55.05500	0.9
65.03938	0.3
67.05511	1.0
68.99796	0.2
69.03421	0.8
69.07072	0.3
70.20959	0.7
79.01855	7.4
79.02315	0.4
79.05486	0.7
81.07061	0.4
83.04986	3.2
85.02898	0.6
87.00848	0.3
91.05484	0.6
93.07036	0.5
95.04993	0.3
97.02893	1.4
105.07044	0.4
107.01326	1.5
107.04951	0.3
111.04450	5.3
123.00769	0.3
125.02365	4.3
129.05516	0.6
133.02837	0.4
139.03928	0.3
143.03401	7.0
145.06509	0.5
147.04454	0.4
151.03964	0.4
153.01839	100.0
153.02910	7.2
154.02153	0.5
161.05933	0.3
163.03918	0.8
166.05057	0.2
167.03326	0.3
173.06096	0.5
175.03976	0.4
179.03365	1.1
181.01360	0.8
189.05458	0.4
191.03368	0.9
192.37790	0.2
193.04988	0.3
195.02917	0.6
201.05498	0.9
207.02922	2.2
209.04424	0.3
217.04948	0.3
219.06470	0.9
221.04517	0.8
223.02379	2.4
235.06161	0.2
237.03917	1.2
281.06619	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01876	0.5
55.05518	0.9
56.05029	0.3
57.03436	0.3
57.04572	0.4
57.07064	0.4
59.04996	0.6
61.02937	0.6
67.05499	0.3
70.06593	1.7
71.04983	1.1
71.50839	0.5
72.08144	1.1
79.05499	0.6
81.03427	0.7
81.07068	3.2
83.04984	0.5
84.04516	0.6
84.08154	0.6
84.82630	0.3
86.09735	0.3
87.08098	0.4
91.05507	1.9
93.07088	0.4
94.04066	0.8
95.04967	0.4
97.02917	0.7
98.06081	1.6
105.07018	0.7
107.04964	0.3
109.02931	0.4
109.05141	2.6
111.12026	0.3
116.07117	0.7
119.03646	0.4
119.04957	4.0
119.08454	0.3
120.08091	0.3
121.06497	1.2
122.51582	0.2
123.02257	0.2
123.06651	0.3
123.07963	0.4
126.05540	0.8
128.06229	0.3
130.06528	0.4
133.02776	0.4
133.05098	2.5
133.06500	0.3
135.05409	0.5
136.03940	0.3
137.05960	0.4
147.04428	14.4
147.09145	1.3
149.02374	2.0
150.02762	1.7
150.07762	100.0
153.01811	1.3
154.02182	0.9
154.05005	1.4
159.07974	0.4
177.05449	0.3
193.05017	0.6
205.08620	0.8
216.08701	0.9
231.25568	0.3
234.14854	0.9
248.15099	30.1
249.15396	0.3
262.10800	1.2
279.70334	0.3
280.17715	50.9
281.14899	1.6
281.17862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.3
51.02381	1.0
55.01862	0.3
55.05510	0.6
57.64439	0.2
65.14805	0.2
67.05508	0.7
69.03420	0.7
70.66553	0.5
70.66904	0.5
79.01857	6.4
83.04977	2.6
85.02905	0.8
85.21557	0.2
91.05442	0.3
97.02879	1.3
107.01295	1.3
111.04439	5.4
112.38075	0.3
119.04950	0.3
125.02366	3.1
129.05482	0.8
133.02856	0.6
135.90692	0.2
139.03908	0.4
143.03403	7.6
145.06509	0.5
151.03917	0.3
153.01837	100.0
153.02921	7.8
154.02209	0.5
163.03896	0.6
173.05960	0.7
175.03952	0.3
179.03421	1.5
181.01312	0.9
189.05409	0.4
191.03447	0.8
195.02928	0.5
201.05478	1.0
207.02904	2.3
209.04501	0.5
217.05029	0.3
218.38052	0.3
219.06548	1.0
221.04543	0.5
223.02364	2.0
235.05959	0.4
237.03957	1.0
239.13264	0.3
254.09531	0.3
281.04544	0.2
281.06668	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	279.232
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03951	1.5
55.05262	0.8
55.05514	8.8
57.03442	1.1
57.07074	2.6
58.21012	0.4
58.50216	0.5
65.03944	2.4
67.05508	97.1
68.05816	0.5
69.07075	9.0
71.04997	1.2
71.08645	0.8
79.05496	13.9
81.07062	100.0
82.07397	0.5
83.04983	1.1
83.08625	5.3
85.06537	1.2
91.05485	4.8
93.07052	13.2
94.07399	0.5
95.04986	0.8
95.08613	85.1
97.06545	1.5
97.10191	3.2
98.21362	2.1
105.07032	3.0
107.08602	7.7
109.06550	1.2
109.10163	48.1
111.08101	1.1
111.11692	1.0
117.07061	1.2
119.08598	3.4
121.06552	0.7
121.10141	7.9
123.08098	0.9
123.11714	23.9
125.09618	0.7
127.07600	0.7
131.08591	3.9
133.10117	3.5
135.08116	0.8
135.11708	4.9
137.09607	1.3
137.13271	9.4
145.10112	3.4
147.11688	2.8
149.02364	8.3
149.09639	1.6
149.13274	3.4
151.11191	0.8
151.14819	3.3
153.00496	0.5
158.03242	0.9
159.11725	2.1
161.13292	2.1
163.11172	1.9
163.14818	1.9
165.12787	1.2
165.16447	1.4
167.10678	0.7
173.13310	3.0
175.14799	0.5
177.12738	1.5
177.16360	0.5
179.10596	0.5
179.14369	0.9
181.12267	1.5
187.14836	2.6
191.14293	1.3
195.13771	2.3
201.16505	0.7
205.15880	1.2
209.15318	2.5
212.37332	0.5
219.21194	1.0
223.16954	2.5
237.18484	1.0
237.55406	0.5
243.21097	3.2
261.22214	4.1
279.09262	0.5
279.19724	2.4
279.23190	32.4
280.23477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03949	0.8
55.05511	10.3
57.03443	1.0
57.07075	2.7
65.03946	3.7
67.05506	100.0
69.07071	9.8
71.05003	1.4
73.06586	0.4
79.05495	13.3
81.07059	94.6
82.07400	0.8
82.66696	0.4
83.04991	1.2
83.08621	6.1
85.06550	1.7
87.04512	0.5
90.17751	0.5
91.05485	5.4
93.07047	12.9
95.04949	0.6
95.08609	78.9
96.08955	0.5
97.06544	1.2
97.10168	4.2
105.07015	2.8
107.08594	9.0
109.06499	1.0
109.10159	45.8
111.08071	0.9
111.11736	1.0
112.87860	0.5
115.07566	0.6
117.07024	1.2
119.08575	3.8
121.06531	0.8
121.10139	7.7
123.08069	1.0
123.11713	25.2
125.09610	1.0
127.07539	0.7
131.08572	3.3
133.10121	3.4
135.08023	0.7
135.11696	5.1
137.09616	1.2
137.13260	9.4
139.11154	0.4
145.10123	3.0
147.11678	2.0
149.02353	9.0
149.09622	1.8
149.13287	2.9
151.11189	1.2
151.14818	3.7
159.11684	2.7
161.13272	1.8
163.11211	1.8
163.14789	2.2
165.12755	1.3
165.16397	1.3
167.10658	0.8
173.13293	3.0
177.12761	1.9
177.16426	1.1
179.14311	1.0
180.83760	0.4
181.12274	2.4
187.14787	3.4
191.14272	1.3
195.13783	3.1
197.15376	0.4
201.16414	0.9
205.15840	0.8
209.15335	2.7
219.21060	0.7
223.16940	3.9
237.18425	1.6
241.77933	0.4
243.21014	2.6
261.22107	4.3
279.19778	2.5
279.23187	40.2
280.23526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03953	1.3
55.01875	1.2
55.05515	11.4
57.03440	1.3
57.07081	7.6
65.03943	3.1
67.05508	94.7
69.07071	12.1
71.05003	2.1
71.08632	1.1
71.93069	0.6
79.05498	16.8
79.05970	0.9
81.03419	1.8
81.07061	100.0
83.04990	2.0
83.08621	7.2
85.06573	1.9
91.05479	8.6
93.01456	0.6
93.07048	16.9
95.04981	2.2
95.08613	84.9
97.06541	2.1
97.10177	4.5
98.20742	1.4
99.08052	0.6
101.06044	0.8
105.07034	5.2
107.04980	0.9
107.08598	12.5
107.23505	0.6
109.06522	1.6
109.10162	48.9
111.08070	1.0
111.11732	1.8
113.06010	0.7
117.07030	2.3
119.08582	5.6
121.02864	2.7
121.06504	1.3
121.10154	10.5
123.08099	2.2
123.11716	25.6
125.09636	0.7
127.07552	0.9
131.08580	6.5
133.10132	4.3
135.08084	1.3
135.11708	7.9
137.09627	2.2
137.13255	10.2
139.11136	0.8
141.09174	0.7
145.10155	4.8
147.11707	3.9
149.02350	47.0
149.09610	2.1
149.13271	3.9
151.11227	1.7
151.14807	3.0
154.64160	0.7
155.10674	0.6
159.11710	4.3
161.13266	3.4
163.11205	1.9
163.14816	1.6
165.12816	1.3
165.16383	1.3
167.03281	0.8
167.10669	1.3
173.13303	4.0
175.14845	1.0
177.12766	2.6
177.16377	1.6
179.14279	1.6
181.12245	2.4
187.11095	0.7
187.14851	4.5
191.14339	1.9
195.13805	2.7
197.05690	0.6
205.15845	1.3
209.15361	3.9
217.19585	0.7
219.05753	1.4
219.17635	0.6
219.21164	0.9
223.16946	3.7
229.18883	0.7
237.18340	1.2
243.21121	5.3
261.22214	5.6
279.09482	2.9
279.16077	5.0
279.19809	3.1
279.23193	37.0
280.23773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02381	1.9
53.03950	5.6
55.01850	3.1
55.05270	1.5
55.05514	21.7
56.88190	0.8
57.03426	3.9
57.07066	4.4
59.63828	0.9
65.03939	3.3
67.05509	43.5
69.07069	19.7
69.40698	8.2
69.71071	1.0
71.08636	21.2
79.05497	71.4
81.03404	4.3
81.07059	57.2
83.04980	5.1
83.08628	8.9
85.06532	4.0
91.05482	36.2
93.07047	100.0
95.04964	9.8
95.08611	37.6
97.06515	4.5
97.10156	4.5
98.21500	1.6
99.08094	14.1
105.04533	2.4
105.07035	22.4
107.04953	3.1
107.08598	59.4
109.06507	3.9
109.10154	13.9
111.08067	2.5
113.09680	1.5
117.07016	4.3
119.08595	13.3
121.10149	50.6
123.08056	3.1
123.11706	2.5
125.09624	1.5
131.08571	6.2
133.06458	1.0
133.10123	11.2
135.08090	1.4
135.11696	59.6
137.09607	3.9
137.13258	1.2
141.09093	3.0
143.08557	3.2
145.10112	6.7
147.11710	6.8
149.09645	1.6
149.13266	17.9
151.11195	9.6
157.10109	1.8
159.11700	3.3
161.09607	1.1
161.13272	9.1
161.51053	1.0
163.11180	5.1
163.14822	4.1
165.12718	2.3
167.10652	2.7
171.11685	3.2
173.13269	2.6
175.14879	2.1
177.12717	2.0
179.14314	21.1
181.12245	1.9
185.13237	2.4
187.14754	2.0
189.12758	2.5
195.13806	3.4
203.14284	1.3
205.15919	2.0
207.13794	2.1
213.16447	1.3
217.19415	1.2
221.15343	5.4
231.17426	1.3
235.16974	3.9
241.19359	2.6
259.20496	6.9
277.21628	84.0
278.21948	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
50.62737	0.5
56.68498	0.6
57.07078	3.6
67.05520	0.9
69.07067	12.8
70.35715	0.5
70.36066	1.7
72.08144	1.3
72.15980	0.5
79.05526	0.7
81.03428	0.6
86.09709	100.0
91.05515	1.5
98.06036	0.5
105.03384	0.9
110.06046	5.7
119.04934	0.6
120.08115	11.7
121.02873	1.7
124.07590	2.7
125.08385	6.7
128.06223	0.5
131.49626	0.5
133.06496	0.5
138.05478	1.3
143.03375	0.6
147.04402	1.0
148.05180	0.6
149.02353	24.3
153.01872	4.9
154.02182	0.8
163.03833	0.6
163.07571	1.9
166.08638	5.1
191.07053	10.6
216.10246	1.4
219.08150	0.6
231.11394	1.8
231.62976	0.5
233.13087	0.7
235.06419	0.6
240.27199	0.5
243.11263	0.9
244.09711	2.5
249.14911	0.5
261.12445	2.3
265.15771	0.5
269.98230	0.5
279.05109	0.9
279.13458	7.0
279.17032	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	279.1705
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
57.07072	1.9
69.03436	0.5
69.07085	0.6
69.99896	1.5
72.08162	1.0
79.05468	0.5
81.03410	0.4
81.07036	0.5
86.09713	52.9
91.05489	1.7
93.07049	1.7
95.04968	0.4
97.02902	0.6
103.05470	6.1
105.07058	0.8
107.04954	0.5
116.56171	0.4
117.22868	0.4
119.04970	1.0
120.08117	100.0
121.02898	0.9
121.08456	0.8
122.09682	0.6
124.07590	0.9
128.64116	0.4
131.04947	1.8
132.10201	1.8
133.02850	0.5
133.06512	0.7
136.07579	2.1
137.86469	0.4
138.09190	1.3
142.08612	0.5
143.03429	0.5
147.04425	1.9
148.05154	0.5
149.02364	14.6
149.03513	0.8
149.05927	0.5
153.01852	5.7
154.08638	1.9
159.04465	1.7
161.06027	0.7
163.03886	0.6
163.92020	0.5
165.05522	0.8
166.08659	4.7
167.03412	0.4
175.03932	1.1
177.05498	0.9
179.03394	1.0
181.01361	0.9
183.02814	0.6
187.03952	1.3
191.03493	0.6
191.07095	1.0
193.05017	1.2
205.04958	2.6
207.02902	1.6
219.06639	0.8
221.04486	1.4
229.13414	1.6
233.04474	1.7
233.16522	1.2
247.14499	0.5
261.04031	1.5
262.14468	0.4
279.05106	2.4
279.08713	0.7
279.17056	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	277.2164
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03941	4.9
55.01864	1.4
55.05511	17.2
57.07066	3.8
65.03923	1.7
67.05508	38.0
69.07069	14.1
74.54833	1.2
77.03924	1.7
79.05495	81.4
79.47478	1.1
81.07056	38.7
83.08623	7.8
85.06543	2.3
91.05489	27.5
91.06038	2.8
93.07050	100.0
95.04969	6.6
95.08615	24.3
97.06522	2.5
97.10154	4.7
105.04554	3.3
105.07037	13.1
107.07875	2.8
107.08600	54.5
109.06478	2.0
109.10170	15.1
117.07001	2.8
119.08606	11.9
121.10150	46.6
123.11758	2.1
125.09584	1.8
129.06989	1.5
131.08569	3.6
133.10127	12.2
135.08107	1.5
135.11693	58.1
135.12730	2.8
143.08565	2.7
145.10129	3.1
147.11699	7.6
149.09647	1.7
149.13269	24.4
151.03932	2.2
156.11920	1.2
157.10159	1.7
159.11668	2.6
161.09584	1.7
161.13249	4.9
163.14859	6.6
171.11665	2.9
173.13217	2.6
175.14825	2.6
185.13287	2.4
189.12662	1.5
195.13795	2.7
199.14915	2.0
207.13882	2.9
213.16339	2.5
221.15367	3.2
224.61984	1.5
235.16965	4.3
259.20621	4.4
277.21634	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
51.02379	1.3
53.03937	6.1
55.05271	1.5
55.05513	19.3
57.07063	2.5
67.05183	2.0
67.05509	30.1
69.07072	16.5
70.92003	1.3
71.04994	2.5
77.03923	2.7
79.05496	77.1
81.06598	2.2
81.07065	33.9
83.08630	8.2
85.06538	2.0
91.04913	1.9
91.05482	29.1
93.07048	100.0
95.04963	4.9
95.08615	20.8
95.84746	1.4
97.06550	1.8
97.10170	3.4
97.11954	1.5
105.04519	2.4
105.07024	17.5
107.08604	49.4
109.06491	2.1
109.10164	10.8
117.07032	2.7
119.08621	10.4
121.10150	45.7
122.96069	1.5
123.11732	2.6
131.08551	3.8
133.10124	11.9
135.11697	51.6
143.08549	2.3
145.10146	3.0
147.11725	9.2
149.09669	1.7
149.13269	20.8
157.10188	1.5
159.11685	4.5
161.13229	3.8
163.14816	6.8
171.11691	2.9
173.13326	1.9
174.40793	1.6
185.13274	3.6
189.12756	1.6
195.13770	1.6
199.57788	1.4
207.13898	2.1
221.15479	3.5
229.17717	1.7
231.17419	2.0
235.17007	3.3
236.57259	1.6
241.19444	2.4
259.20642	3.3
275.57553	1.6
277.21637	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.05514	9.0
57.07077	16.4
63.18626	0.3
65.03937	1.4
67.05510	1.6
69.03428	0.4
69.07086	1.3
69.40601	1.9
70.06570	0.3
70.56469	0.3
72.32159	0.3
79.05473	1.2
81.07054	2.4
83.08609	0.6
85.06558	0.5
91.05487	1.2
93.03412	0.5
93.07044	1.8
95.04970	0.3
95.08614	3.4
96.08941	0.3
105.07027	0.8
107.08603	1.3
109.10168	1.9
111.04491	0.3
119.08578	0.8
121.02862	4.6
121.03968	0.9
121.06561	0.3
121.10125	1.4
123.04439	1.4
123.11735	0.8
125.09612	0.5
129.06979	1.4
131.08578	1.4
133.02837	0.4
133.10132	0.9
135.11684	0.6
137.09703	0.3
137.13255	0.6
143.04927	0.6
145.10123	0.4
147.04489	0.3
147.11691	0.6
149.02345	100.0
149.13281	0.6
150.02663	0.7
150.18243	0.3
151.03896	1.3
151.11165	0.3
161.06000	1.7
161.13246	0.6
163.07674	0.3
167.03442	0.6
173.13438	0.4
175.04065	0.3
175.07539	7.1
177.16380	0.3
185.06059	0.3
189.71765	0.3
203.07047	7.4
203.17973	0.5
205.08524	0.4
206.07083	0.3
207.67830	0.3
213.33488	0.3
215.22020	0.4
221.08086	1.7
235.17065	0.5
241.04935	0.4
254.37872	0.4
259.06137	0.3
259.24207	0.4
262.06039	0.3
277.14343	2.4
277.17587	0.5
277.22061	0.5
277.25433	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
54.71953	0.5
55.01866	0.5
55.05512	7.4
57.07076	11.4
65.03934	1.5
67.05495	1.6
69.03427	0.6
69.07063	1.4
70.06593	0.9
79.05495	2.7
81.07055	3.0
83.08603	1.0
90.80325	0.4
91.05465	2.4
93.03394	0.8
93.07042	3.4
93.07534	0.5
95.04982	1.3
95.08599	2.8
97.06519	0.9
98.21519	1.2
105.07030	1.9
107.08576	2.9
109.06493	0.6
109.10168	1.2
117.07034	0.5
119.08559	1.1
121.02876	4.0
121.03688	0.6
121.06481	0.8
121.10121	1.9
123.04414	3.3
123.08055	0.6
125.09656	0.5
129.07027	0.5
130.01541	0.5
131.08562	1.0
133.02827	1.4
133.10165	0.6
135.11676	1.0
137.09491	0.6
139.03871	0.7
145.10173	1.2
147.04414	1.3
149.02344	100.0
151.03911	5.5
159.11781	0.6
161.06030	0.7
165.05482	0.7
167.03386	1.3
175.07536	2.5
185.06027	0.5
200.51878	0.5
203.07019	1.6
213.05551	1.1
221.08087	19.7
235.16954	1.1
259.05942	0.6
277.07211	2.1
277.14377	12.4
277.17966	1.7
277.20926	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
53.18053	0.3
55.05514	10.1
57.07079	15.9
65.03940	1.6
67.05507	1.4
69.03421	0.4
69.07072	1.5
70.00191	1.1
70.06553	0.3
77.12124	0.2
79.05489	0.8
79.08913	0.2
81.03408	0.3
81.07066	2.8
83.04971	0.4
83.08618	0.7
85.06548	0.5
91.05483	1.9
93.03394	0.5
93.07045	1.7
95.04977	0.3
95.08607	2.6
96.87779	0.2
97.10178	0.4
99.08105	1.0
100.05833	0.2
103.45381	0.3
105.03322	0.2
105.07031	0.9
107.08607	1.6
109.06541	0.3
109.10155	1.5
111.04449	0.3
111.11733	0.3
117.05808	0.2
117.06972	0.3
119.08569	1.1
121.02880	5.8
121.03949	0.7
121.06505	0.4
121.10139	1.4
123.04456	1.3
123.08071	0.4
123.11702	0.5
125.09607	0.5
128.07077	0.3
129.07007	1.0
131.08574	1.0
133.02817	0.4
133.06569	0.3
133.10098	0.6
135.08105	0.3
135.11679	0.8
137.09590	0.3
143.04910	0.5
145.10135	0.4
147.04416	0.4
147.08087	0.4
147.11693	0.5
149.02347	100.0
149.13278	0.8
150.02695	0.7
151.03906	1.6
151.80098	0.2
152.04745	0.3
157.06500	0.3
157.10112	0.4
159.11662	0.4
161.05980	1.8
161.13275	0.3
163.14861	0.4
167.03421	0.7
171.11661	0.3
175.03961	0.4
175.07550	7.1
185.05980	0.5
203.07034	8.0
205.08548	0.7
221.08000	0.5
235.16948	0.4
259.09622	0.2
259.12906	0.3
259.20694	0.3
277.06903	0.4
277.14380	1.8
277.21698	0.8
277.25296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55937	4.9
59.40845	5.2
62.34456	5.0
70.44558	7.6
70.44906	12.9
71.00146	6.1
71.56785	5.0
71.57195	5.4
72.10308	5.3
72.80332	6.0
81.03391	5.7
82.99849	6.8
83.13981	5.9
101.00883	39.8
119.01928	24.4
133.03455	8.5
143.01930	19.9
157.03464	25.3
161.02979	24.0
175.04555	8.5
183.05022	6.5
185.02936	15.1
213.99834	5.2
217.05611	6.1
253.07678	7.2
259.06903	5.7
277.03140	17.2
277.07617	100.0
295.08740	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	277.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39496	0.7
51.00618	0.8
53.03964	0.7
58.99867	1.0
66.13437	0.8
69.03423	3.0
70.51641	1.9
70.52002	0.9
70.99879	0.8
71.04980	2.4
81.03430	6.8
82.06570	1.2
82.99824	6.0
85.02891	2.2
89.00883	1.2
97.01407	1.1
97.02892	0.8
99.04446	2.8
100.00105	2.3
101.00890	36.2
109.02916	4.9
109.98466	0.9
113.00864	4.2
115.02422	4.6
118.01147	2.7
119.01933	32.2
120.87945	0.8
127.02409	3.4
129.04025	1.2
131.01895	5.1
133.03491	8.7
133.77090	0.8
137.02957	3.2
139.02414	6.9
141.00363	1.5
141.03915	1.0
142.01160	5.1
143.01909	16.1
144.02655	1.3
145.03477	7.3
147.01401	1.3
151.04501	1.7
155.01883	1.2
156.02676	3.6
157.03485	33.7
158.03667	0.8
159.01416	6.6
159.05040	1.6
160.02167	3.1
161.02971	23.9
166.01132	1.1
167.01884	3.3
169.03467	3.1
171.05031	3.1
173.02914	1.4
175.04539	15.7
181.03494	1.5
183.05061	5.0
184.02213	2.8
185.02972	13.5
187.04535	4.9
189.06078	1.8
197.02957	1.6
199.04636	6.4
201.06096	5.0
203.04092	7.7
209.02957	1.3
217.05606	3.0
227.03949	1.5
235.06769	4.4
245.05093	5.2
253.07739	1.6
259.06686	6.0
277.07700	100.0
278.07904	3.3
295.08771	60.6
296.09042	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
61.01151	1.0
69.56919	0.5
70.06596	17.3
71.06915	0.7
72.08157	0.7
74.02438	1.1
81.03445	0.6
84.08125	0.8
86.70610	0.6
87.07985	0.8
89.08987	0.5
91.05476	3.0
95.04958	0.8
97.02870	0.6
103.05449	1.3
107.04963	0.5
107.75723	0.5
115.05434	1.5
118.06725	4.2
119.04939	1.6
119.07314	0.5
119.68793	0.5
120.08110	1.1
123.04438	5.4
124.07565	0.6
128.06181	0.7
129.07007	4.0
130.06528	7.5
132.08133	0.7
133.02847	1.9
134.05959	0.5
136.07571	2.3
142.06516	4.0
144.08090	15.8
145.06480	1.0
146.06024	7.0
147.04413	1.9
151.03894	5.9
154.06522	27.0
155.06084	0.6
155.07298	2.2
156.04480	3.6
156.08096	13.6
158.06032	2.9
160.07524	0.8
170.06033	0.9
171.09138	0.9
172.07562	6.0
174.05513	3.3
175.03922	1.5
182.06021	100.0
183.06772	3.5
184.07582	5.9
186.09132	1.8
188.07062	13.6
190.08618	1.6
200.07069	12.3
201.09828	1.7
202.08615	1.8
204.10197	0.7
207.06650	1.1
210.05534	4.0
213.05440	0.9
214.06737	0.8
214.08667	10.9
214.10767	1.3
216.10205	1.5
217.09894	0.8
218.08150	0.7
228.06540	2.0
231.11304	7.1
231.14851	0.8
235.16843	0.7
241.04967	1.4
242.08133	28.6
245.09288	0.7
245.12897	1.7
257.43094	0.6
259.06024	1.2
259.10910	0.9
259.14343	0.5
260.09186	77.6
261.09509	1.1
277.07236	2.4
277.11823	11.0
277.15436	2.7
277.18170	0.7
278.13791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.196
Annotation	MGK 264
Peak:m/z	Relative Intensity
53.03931	0.7
55.05513	5.4
56.05839	1.0
57.07056	0.7
65.03947	0.4
65.81880	0.4
67.05216	0.4
67.05506	4.0
68.05025	3.4
69.07069	3.3
70.06597	14.8
71.51636	0.7
79.05071	0.7
79.05496	10.2
80.05800	0.5
81.07058	4.8
82.07390	0.5
83.08600	1.3
91.05479	9.0
92.05805	0.9
93.06487	0.7
93.07047	11.7
94.07372	1.0
95.04945	0.6
95.08607	3.5
96.08134	1.4
96.08942	0.6
97.10146	0.6
100.07619	30.0
103.05437	1.5
105.07030	19.6
106.06538	1.8
106.07347	1.6
107.04935	0.5
107.08595	10.5
108.08092	1.6
109.06487	0.6
109.10135	0.8
114.05537	6.4
115.24855	0.4
116.07114	0.8
117.07021	3.5
119.08584	16.1
120.08112	0.6
120.08894	0.7
121.06477	0.8
121.10171	5.7
122.10399	0.4
123.04401	0.7
128.07080	19.9
129.06964	0.7
131.08553	1.9
132.08083	1.1
133.10133	29.4
134.09564	0.7
134.10477	0.7
135.11656	1.9
140.07028	1.7
143.80905	0.5
145.10121	0.8
146.09628	2.1
147.11688	1.1
148.11089	0.8
148.12111	0.7
149.02316	1.3
149.13237	0.5
152.07086	2.5
154.08638	2.5
159.11681	0.8
160.11142	1.4
161.12242	1.0
161.13263	23.6
162.12645	0.6
163.14838	6.4
164.07133	2.5
164.11427	0.4
165.07893	1.5
172.11185	1.5
174.12775	1.9
178.08633	1.1
186.12755	0.5
187.13571	0.5
188.14340	3.8
190.08644	0.5
192.10184	7.2
193.10910	1.2
200.10556	0.5
202.05980	0.5
202.15930	4.1
204.10233	1.4
206.11755	1.9
207.12448	0.5
210.14850	0.7
216.17516	0.6
218.11757	11.6
219.12582	0.5
230.19028	2.7
232.13351	3.7
233.14079	2.4
246.14845	1.4
247.15665	1.9
248.16438	0.6
258.19296	0.6
276.19595	100.0
277.19846	1.1
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
51.02375	1.5
53.03934	4.1
55.01631	1.3
55.01875	16.7
55.05512	15.6
61.24165	0.9
62.12557	1.1
64.90836	1.1
67.05514	23.5
69.06786	1.1
69.07073	13.0
71.04972	1.4
71.64335	1.3
79.05496	23.6
81.03403	2.1
81.07063	37.9
83.04974	4.5
83.08611	4.9
85.06527	1.3
86.60732	1.2
91.05485	58.1
93.06489	1.6
93.07053	25.2
95.04957	5.8
95.08614	16.5
97.05901	2.0
97.06525	19.0
97.10185	2.2
98.21309	8.2
100.47917	1.1
103.05466	1.9
105.07037	100.0
107.04967	6.7
107.08585	12.9
109.06527	3.0
109.10190	7.1
115.89384	1.1
117.07005	12.8
119.08591	45.4
121.06546	1.9
121.10158	7.4
123.08070	1.5
125.09605	2.2
128.06224	1.7
129.07004	2.5
131.08560	18.9
133.10141	55.3
135.08043	3.1
135.11702	3.6
137.09596	1.9
143.08569	2.5
145.10127	14.0
147.11693	21.5
149.09660	6.5
149.13292	2.0
151.11150	3.0
155.08551	1.5
157.10127	3.1
159.11685	8.2
161.13251	4.5
163.11201	2.6
165.09117	2.3
169.10214	1.7
171.11711	2.9
173.13280	4.4
177.12766	2.2
179.14340	2.6
192.24956	1.3
197.13176	1.6
229.19446	1.5
239.17996	1.9
247.20558	4.2
257.19043	7.9
275.20081	91.8
276.20471	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03927	1.6
55.01865	3.5
55.05516	10.7
57.07084	1.5
58.44074	0.9
63.73887	0.8
67.05509	14.8
69.07072	10.2
71.04978	1.7
71.52105	1.8
79.05492	14.5
79.14774	1.1
81.03391	1.5
81.07059	22.1
83.04948	2.3
83.08609	3.0
85.06526	1.2
91.05483	36.2
93.07045	14.9
95.04993	2.6
95.08619	10.3
97.06525	4.1
97.10159	2.9
98.20654	1.1
103.05453	1.3
105.07032	60.3
107.04948	3.8
107.08590	10.5
109.06506	1.3
109.10165	4.7
111.08097	1.9
115.05446	1.3
117.07040	7.6
119.08584	36.1
119.70004	0.9
121.06479	2.3
121.10167	5.4
123.08067	1.6
123.11745	1.2
129.06960	1.8
131.08588	12.5
133.10138	38.0
135.08034	1.5
135.11662	1.9
143.08621	2.0
145.10130	13.9
147.08124	1.3
147.11681	18.7
149.09567	3.4
149.13269	1.4
155.08589	1.9
157.10135	1.5
159.11725	7.2
161.13258	3.5
163.11241	1.3
165.09137	1.6
168.84712	1.0
169.10194	1.7
171.11691	1.5
173.13309	2.7
175.11302	1.0
183.11674	1.2
191.14413	1.1
197.13286	1.3
239.18042	2.0
247.20662	2.2
257.19031	8.6
275.04794	1.4
275.20084	100.0
275.27725	7.3
276.20102	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.50204	0.6
52.59817	0.7
53.03936	2.6
55.01871	6.0
55.05273	0.9
55.05514	12.7
57.03426	2.2
57.07073	1.7
65.03925	1.5
65.75354	0.6
67.05509	20.6
69.03428	1.1
69.07076	10.9
70.29498	2.2
71.04981	2.1
79.05497	23.2
81.03433	0.8
81.06590	1.3
81.07061	23.0
83.04987	3.4
83.08623	4.0
85.06551	0.7
91.05486	37.5
93.06487	1.4
93.07048	23.0
93.07641	1.1
95.04974	3.9
95.08608	14.4
97.06540	8.4
97.10159	2.2
99.08077	1.3
103.05465	2.0
104.06231	0.8
105.04493	1.2
105.07037	46.9
105.38448	0.8
107.04961	7.4
107.08602	17.3
109.06522	4.2
109.10149	7.6
111.08071	1.4
113.06007	0.7
115.05450	1.1
116.06223	0.7
117.07021	11.1
119.04969	0.7
119.08587	32.3
121.06513	5.1
121.09325	0.9
121.10151	10.1
123.08087	4.2
123.11700	2.7
125.09664	1.6
128.06229	0.6
129.06996	2.2
130.07835	0.8
131.08577	12.7
133.06496	1.6
133.10141	33.1
135.08054	6.1
135.11688	5.4
137.09637	4.1
139.11139	0.9
141.06992	1.0
143.08563	2.5
145.10139	12.0
146.10861	0.7
147.08095	1.6
147.11700	15.5
149.09636	9.0
149.13257	1.9
151.11156	2.3
155.08572	1.3
157.10152	3.7
159.07996	1.1
159.11707	9.0
161.09644	2.2
161.13246	5.3
163.11197	7.4
165.12737	1.1
169.10121	2.5
171.11684	2.5
173.09613	0.7
173.13222	5.8
175.11200	2.8
175.14870	1.0
177.12749	3.1
179.14374	0.7
183.11658	2.1
184.33720	0.7
185.13420	1.3
187.11259	1.2
187.14877	1.3
189.12711	1.6
191.14342	1.0
197.13266	1.8
199.14729	1.1
199.75914	0.7
201.12729	1.0
201.16496	0.9
203.09499	0.8
205.12144	1.3
213.16408	1.0
215.14195	0.9
215.17924	1.0
217.15860	0.8
229.19487	4.4
233.15445	0.7
233.18961	1.5
239.17908	5.0
247.20636	4.3
257.19031	11.4
275.20084	100.0
275.27899	2.0
276.20419	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03934	3.2
55.01863	4.0
55.05513	13.2
57.03426	3.0
57.07073	1.9
59.62581	0.8
60.12333	0.8
62.29811	0.9
67.05503	21.5
69.03416	0.9
69.07072	10.4
69.73856	4.7
70.39749	0.7
71.04971	2.1
77.03915	1.5
79.05494	22.2
81.03413	1.5
81.07056	27.3
81.07531	1.7
83.04983	2.3
83.08619	4.5
85.06537	1.3
86.45222	0.7
90.11284	0.7
91.05483	37.0
92.88031	0.7
93.07043	22.7
95.04962	3.4
95.08611	14.8
97.06528	3.5
97.10164	1.9
103.05481	1.5
105.04487	1.0
105.07029	43.6
107.04966	6.6
107.08597	14.2
109.06506	4.0
109.10178	5.3
111.08061	1.9
115.05474	0.8
116.87023	0.7
117.07021	9.9
119.08585	33.0
121.06505	5.1
121.10144	8.9
123.08044	4.0
123.11702	1.4
125.09652	1.1
129.06996	3.1
131.08565	15.7
133.06503	2.1
133.10132	37.0
135.08066	11.5
135.11676	6.1
137.09624	4.7
139.11182	1.3
141.07077	0.8
143.08566	2.2
145.10138	12.3
147.08075	2.5
147.11693	16.9
149.09622	8.7
149.13254	1.2
151.11134	2.2
155.08548	1.2
157.10150	3.4
159.08047	1.0
159.11678	8.8
161.09631	2.5
161.13292	5.7
163.11159	5.1
165.12660	1.4
169.10088	1.9
171.11739	2.5
173.09558	0.8
173.13223	6.0
175.11205	3.5
175.14882	1.0
177.12769	2.6
183.11703	1.2
185.13283	2.6
187.11194	2.2
187.14908	0.9
189.12720	1.2
191.14301	1.4
197.13243	2.3
199.21494	0.9
201.16464	0.8
203.14442	1.5
205.12308	0.8
211.14732	0.8
215.14197	1.3
229.04724	0.8
229.15968	1.0
229.19499	3.9
233.15402	1.7
239.17970	4.6
247.20560	4.7
257.19028	11.3
275.20068	100.0
275.27719	3.3
276.20419	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.80872	1.1
53.03934	2.3
55.01861	3.6
55.05511	11.7
57.03435	1.7
57.07071	1.6
59.75722	0.8
65.03944	1.9
67.05180	1.3
67.05508	18.2
69.03427	1.1
69.06801	0.7
69.07076	9.9
69.51442	4.6
69.51853	1.7
70.06599	1.1
71.04990	2.2
79.05075	1.8
79.05502	24.2
81.03437	1.0
81.07060	23.7
83.04981	2.4
83.08647	4.2
85.06557	1.3
91.05485	36.4
93.07049	19.7
95.04969	3.5
95.08613	13.2
97.06545	2.4
97.10175	1.9
98.21475	1.9
103.05469	1.2
105.04560	1.5
105.07040	44.2
107.04975	7.1
107.08590	14.7
109.06538	5.0
109.07190	0.8
109.10164	7.7
111.08080	1.1
115.05477	1.2
117.07032	10.5
119.08588	35.0
121.06533	4.7
121.10152	8.8
123.08081	4.2
123.11694	1.9
129.07024	2.1
130.07730	1.2
131.08569	14.4
133.06474	1.3
133.10146	32.8
135.08089	6.2
135.11722	4.8
137.09641	3.2
141.07034	1.1
143.08603	2.4
145.10130	13.1
147.08040	1.8
147.11699	18.6
149.09641	7.3
149.13231	1.3
151.11151	1.7
155.08545	1.8
157.10141	2.7
159.11702	8.3
161.09630	3.2
161.13263	6.1
163.11160	4.3
169.10124	1.3
171.11697	3.0
173.13263	4.4
175.11224	2.5
175.14835	1.0
177.12750	1.5
183.11673	1.9
185.13338	1.5
187.11147	1.0
187.14886	1.4
189.12764	1.5
191.14336	1.1
197.13193	2.3
215.14479	1.2
219.17532	1.0
229.15942	1.3
229.19566	4.2
239.17899	3.9
247.20628	4.7
257.19016	8.3
275.20087	100.0
275.27701	2.9
276.20401	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	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03942	3.2
55.01877	6.4
55.05516	17.0
57.03428	1.6
57.07074	1.6
65.03922	1.4
67.05180	2.0
67.05511	23.8
69.07076	11.7
69.79052	5.7
71.04970	1.9
77.84870	0.9
79.05499	28.1
81.06596	1.2
81.07069	21.5
83.04968	2.9
83.08630	6.1
85.06544	1.3
91.05489	38.5
93.07053	23.1
95.04973	3.2
95.08622	13.2
97.06532	6.4
97.10160	4.1
98.21011	3.1
103.05459	1.5
105.04511	1.1
105.07044	49.6
107.04425	1.0
107.04977	11.3
107.08605	20.9
109.06504	3.2
109.10159	9.9
111.08126	2.5
117.07026	11.8
119.08593	31.8
121.06480	3.8
121.10164	10.1
123.08035	3.0
123.11720	2.4
125.09622	1.2
129.06998	3.1
130.07771	1.5
131.08571	15.0
133.06401	1.2
133.10143	33.4
135.08086	5.0
135.11665	3.6
137.09633	2.5
141.06960	1.2
145.10112	11.3
147.11703	19.5
149.09637	23.6
149.13258	1.8
151.11203	1.8
155.08556	1.5
157.10191	1.9
159.11729	10.4
161.09625	1.5
161.13266	7.0
163.11185	3.7
169.10028	1.8
171.11699	2.1
173.11961	1.3
173.13303	4.8
175.11252	2.5
177.12784	2.1
183.11723	3.7
187.11203	2.2
189.87997	1.0
191.14445	1.0
197.13287	1.9
205.12126	1.1
229.19527	4.7
230.79164	1.1
233.58777	1.0
239.17958	4.2
247.20648	3.3
257.19022	12.9
266.90842	1.2
275.20084	100.0
275.27762	3.5
276.20670	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03932	2.8
54.35545	0.8
55.01873	5.4
55.05270	1.0
55.05512	14.2
57.07067	1.0
65.03941	1.5
67.05178	1.3
67.05509	18.5
69.03429	1.1
69.07072	10.0
71.04981	2.1
71.15937	1.4
79.05066	1.6
79.05494	18.6
81.06586	1.8
81.07059	25.2
83.04975	2.3
83.08620	5.1
85.06552	1.0
91.05486	40.9
93.07048	18.5
93.38892	0.8
95.04953	3.2
95.08614	13.3
97.06536	7.8
97.10162	2.9
103.05467	2.0
105.07037	68.4
107.04981	4.8
107.08602	14.6
109.06520	3.2
109.10157	5.0
111.08060	0.9
111.93907	0.8
115.05465	1.5
117.07025	10.4
119.08585	34.3
121.06513	3.8
121.10146	6.8
123.08024	1.7
123.11757	1.1
125.09610	1.8
129.06992	2.7
131.08562	15.7
133.06509	1.0
133.10136	42.4
135.08043	3.4
135.11702	3.9
136.39517	0.8
137.09622	2.1
141.07014	0.8
143.08559	1.7
145.10121	14.6
147.08076	1.9
147.11693	20.6
149.09593	5.5
151.11165	2.2
157.10165	3.1
159.11685	7.3
159.26433	0.7
161.09657	1.9
161.13261	4.5
163.11162	3.0
163.14810	0.9
165.09088	1.2
169.10162	1.8
171.11682	3.1
173.13310	4.4
175.11221	0.9
177.12769	1.0
183.11678	2.2
187.11284	1.2
197.13286	1.8
201.12659	0.9
205.12366	0.9
218.45050	1.0
219.13901	0.8
229.19545	2.8
233.19167	1.1
237.67331	0.8
239.17970	3.6
247.20551	3.5
257.18979	8.3
275.20078	100.0
275.27786	3.7
276.20465	1.1
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
53.03939	1.6
55.01885	4.9
55.05512	11.2
57.03449	5.0
57.07066	0.8
62.58820	0.9
63.58548	0.8
65.03902	0.7
67.05173	1.2
67.05511	16.2
69.03420	1.0
69.07074	8.5
70.90266	1.3
70.90605	1.6
71.04976	1.2
74.05340	0.8
79.05498	19.2
81.07063	20.9
83.04972	1.4
83.08617	5.8
85.06531	2.7
88.07633	1.0
91.05484	32.2
93.07050	20.4
95.04945	3.4
95.08053	1.3
95.08609	13.2
97.06539	3.6
97.10165	1.7
99.08099	1.1
103.05402	0.8
105.04490	1.0
105.07038	46.9
107.04971	5.6
107.08596	17.8
109.06513	3.8
109.10168	5.4
111.08088	1.6
117.07030	10.6
119.08590	33.1
121.06538	4.6
121.10157	8.8
123.08067	3.3
123.11758	0.9
125.09661	1.9
129.06998	3.5
130.07784	0.9
131.08572	15.3
133.10143	28.1
135.08064	4.4
135.11690	4.8
137.09581	2.0
143.08566	3.3
145.10138	15.3
147.08060	1.9
147.11700	19.2
149.09634	9.4
149.13246	1.2
151.11174	1.2
155.08650	2.0
157.10130	3.6
159.11703	10.8
161.09592	1.7
161.13235	4.9
163.11168	5.2
165.09129	1.0
165.12732	1.0
169.10141	1.5
171.11685	2.8
173.13266	4.5
175.11188	1.4
175.14832	1.3
177.12778	2.2
183.11684	3.6
185.13243	5.8
187.11142	1.4
187.14940	1.0
193.12253	1.1
197.13275	1.5
199.14807	1.4
201.12749	1.5
201.16357	1.6
203.14333	2.9
205.12343	1.0
213.16440	0.9
215.14279	1.0
217.15970	1.3
219.13829	0.9
219.17471	1.7
229.16023	0.9
229.19577	2.7
230.02081	0.8
239.17978	5.5
245.07617	0.8
247.20569	3.0
257.19012	10.1
266.09302	0.7
275.05508	0.9
275.20084	100.0
275.27737	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
53.70782	1.0
55.01857	1.7
55.05519	4.9
56.05017	1.3
56.96567	9.6
57.03424	3.4
58.06567	0.9
60.04526	1.1
65.03928	1.3
67.05492	2.2
68.05015	3.3
68.99788	4.7
69.03412	3.0
69.04552	1.1
70.06597	4.4
70.95848	1.5
70.98119	0.9
71.04984	2.1
71.50741	1.1
72.08144	4.7
72.93765	1.6
79.01838	1.4
79.05483	6.1
81.03397	2.3
81.04550	13.2
81.07057	18.8
82.05327	5.9
83.04965	3.3
83.06088	2.6
84.04490	3.2
84.08147	7.1
84.96016	1.9
85.02898	6.1
86.06065	1.7
86.09684	2.4
87.04417	1.2
88.96889	2.0
91.05469	4.0
95.04989	2.5
95.06087	31.8
96.04472	1.6
97.02914	4.5
97.06519	1.1
98.06045	3.2
98.97588	11.7
99.04494	1.1
100.07610	1.3
100.11261	5.6
100.96885	1.4
101.00877	1.3
102.05562	1.2
106.46989	0.9
107.04924	2.4
109.02887	2.7
110.07111	1.1
110.97552	2.0
111.00787	2.1
111.05565	58.8
112.99139	1.3
113.07143	5.6
115.05495	1.4
116.07078	2.6
116.98654	5.0
117.07038	1.1
119.01928	1.9
119.04910	1.8
120.01170	1.1
121.02835	4.5
121.06498	1.4
122.06025	1.2
123.05554	67.1
125.02367	1.2
127.03916	1.7
128.98573	1.6
129.07001	1.2
129.10220	1.6
130.08636	2.7
131.00186	1.0
131.04927	1.6
132.95836	1.0
135.04410	3.2
136.07564	1.7
137.02293	1.1
137.05949	4.3
139.03926	4.4
140.07074	1.4
141.06587	95.4
143.00139	1.4
145.06422	2.1
146.97382	18.6
146.99631	0.9
149.01175	1.9
149.02322	15.9
149.05972	1.3
150.03087	3.7
151.03925	1.1
153.01822	12.9
153.02966	1.4
154.02176	1.8
154.08612	1.2
155.00140	1.3
155.04922	1.3
157.06442	1.9
161.01208	1.3
161.02982	1.9
161.05914	1.2
161.07098	3.3
163.03954	4.9
164.98486	6.8
165.05470	3.4
165.06741	1.2
167.03413	10.2
169.01608	0.9
169.03410	1.1
173.01208	3.9
173.05962	3.8
177.00728	1.2
177.05510	1.4
179.03380	5.9
183.04451	2.2
185.05919	1.3
186.99168	1.2
187.04082	2.8
188.98459	4.1
190.98549	1.2
191.03467	14.2
201.05478	7.2
201.10220	2.0
203.03439	4.9
205.04955	2.4
206.99515	4.0
209.12770	6.0
213.05508	1.1
217.05211	1.1
219.16953	1.0
221.12827	2.7
227.13916	14.7
229.00130	1.2
229.04936	12.5
230.05504	1.6
231.06613	1.0
232.99719	1.1
233.04509	10.8
239.13919	26.8
247.05954	9.2
247.09819	1.6
251.05431	3.3
257.04495	11.3
257.09448	2.1
257.14951	100.0
269.05536	1.0
275.05524	20.9
275.10733	10.1
275.13489	1.8
275.16022	33.0
275.27716	2.2
297.02872	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03930	0.9
55.01862	0.4
60.65736	0.3
67.05501	0.3
70.02926	0.4
70.03897	1.5
70.06576	0.7
81.03410	1.1
85.06542	2.4
86.09664	0.3
88.03972	1.0
88.07648	0.5
91.05479	2.3
93.07056	6.0
95.04971	0.5
102.05557	1.5
103.05459	2.6
105.04534	0.3
109.02882	0.6
121.06516	100.0
122.06833	1.1
124.07632	0.3
126.05500	0.3
127.03931	0.8
135.04527	0.5
137.02359	53.9
137.03412	3.5
142.06503	0.3
148.06075	1.0
153.01759	0.3
164.07074	0.4
165.05595	0.4
166.05763	0.5
186.98622	0.3
206.11771	0.4
210.09053	0.3
228.10287	0.8
228.12320	0.4
230.07942	0.6
257.08075	4.0
274.07333	1.2
274.10837	3.1
274.27390	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	274.274
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
51.47017	0.3
57.06832	0.5
57.07082	7.2
58.06591	0.4
62.06084	0.5
69.89734	0.6
69.90112	0.8
70.06599	12.0
71.08633	3.5
71.97423	0.3
72.53761	0.3
81.41866	0.3
85.10190	0.9
88.07636	18.3
102.09183	4.8
106.08673	8.8
120.17333	0.3
148.63948	0.3
159.56552	0.3
171.27097	0.4
204.67546	0.3
224.51137	0.3
230.24831	0.9
256.26367	6.6
274.27417	100.0
275.27765	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0915
Annotation	Phloretin
Peak:m/z	Relative Intensity
53.03935	1.0
55.05511	0.6
59.98793	0.3
67.01865	0.4
71.04973	0.3
73.65573	0.3
74.11633	0.3
79.05492	1.0
85.02919	0.3
91.59235	0.4
95.08630	0.4
97.63456	0.3
103.77661	0.3
107.04958	100.0
108.05311	0.9
123.04469	0.5
127.03951	1.0
149.02354	0.4
149.05827	0.3
151.03944	1.5
169.04967	10.0
275.09268	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.05526	0.5
59.98967	0.4
67.01867	1.8
67.05494	0.5
68.99786	1.7
69.03434	1.8
70.75235	1.3
81.07053	0.6
91.05492	7.9
93.07074	0.5
95.04965	2.3
97.02922	1.0
105.07052	1.2
107.04989	2.4
107.08589	0.7
109.06559	0.7
111.00807	0.5
119.04951	18.1
119.08604	0.7
121.06520	1.0
121.10177	0.4
123.04427	4.5
125.02300	0.5
128.06204	0.4
131.08572	0.6
133.10135	0.9
143.08638	0.5
145.10173	1.0
147.04422	40.5
149.09724	0.4
151.03951	0.5
153.01839	100.0
154.02168	0.6
155.08627	0.6
156.09364	0.5
157.06448	0.6
157.10132	1.0
167.08539	0.5
168.47012	0.5
169.10045	0.6
171.02913	1.7
171.04332	0.5
171.11696	1.2
179.03453	0.9
181.93158	0.5
184.36351	0.4
189.05447	0.8
190.02159	0.4
195.11745	0.6
197.13249	0.8
211.14748	0.5
213.16368	0.7
231.06654	0.4
254.25011	0.4
255.06583	0.5
255.17500	1.7
273.07590	75.4
273.18457	2.7
274.07950	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2577
Annotation	beta-Springene
Peak:m/z	Relative Intensity
55.05521	19.2
57.07063	10.4
60.51121	3.5
67.05506	23.3
69.07072	33.3
69.25862	35.8
79.05485	15.3
81.07065	65.0
83.08620	17.8
85.69424	3.6
88.07639	3.5
90.67603	3.3
91.05492	20.1
93.07050	32.8
95.04998	4.7
95.08609	68.1
97.10175	12.6
98.32674	4.0
105.07032	35.6
107.08593	47.1
109.10170	50.0
111.11659	4.1
114.78266	3.1
117.07007	6.4
119.08571	26.0
121.10154	40.0
123.11716	37.2
128.55931	3.4
129.01883	3.7
131.08530	9.4
133.10173	19.6
135.08148	3.9
135.11708	27.8
137.13249	11.3
143.08604	7.1
145.10129	11.9
147.08105	3.9
147.11710	18.1
149.13284	44.2
151.14824	4.3
157.10135	5.1
159.11740	3.6
161.13257	20.6
163.14853	22.8
175.14789	11.6
177.16368	12.9
189.16364	18.0
191.18001	8.3
203.18007	12.7
206.40919	4.3
210.65749	3.5
217.19478	35.8
231.21184	4.2
233.80318	4.3
273.18747	34.7
273.21445	5.7
273.22952	5.7
273.25787	100.0
274.27252	7.7
287.29260	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	273.076
Annotation	2beta-5,7-Trihydroxyflavanone
Peak:m/z	Relative Intensity
55.01887	0.5
55.08769	0.5
65.03954	0.5
67.01871	2.6
68.99780	2.7
69.03440	1.7
69.07081	0.6
69.46784	3.2
85.83130	0.4
87.00847	0.9
89.72955	0.4
91.05489	8.0
93.07027	0.5
95.04990	2.9
95.05534	0.5
97.02900	1.2
98.20744	0.5
99.64469	0.4
105.07047	0.7
107.04961	2.5
111.00800	0.5
115.05446	2.7
117.05770	0.4
119.04951	15.5
121.06525	3.0
121.10171	0.4
123.04438	6.4
129.07036	1.1
130.06528	7.7
132.07198	0.9
132.08102	11.1
142.06532	4.2
144.08060	0.6
146.06000	1.3
147.04420	43.2
148.43742	0.5
149.06018	1.1
151.03882	0.9
153.01837	100.0
154.02196	0.8
154.06499	0.7
156.08092	1.7
157.07593	1.0
158.06155	0.6
158.08401	1.9
159.09189	27.3
160.07605	2.3
165.05495	1.1
167.06064	0.8
169.07628	7.5
170.06024	15.7
171.02922	2.3
172.07574	0.5
179.03445	0.7
181.06476	1.4
181.07747	1.1
182.05969	0.8
183.09195	2.2
184.07596	5.6
185.07118	15.3
187.08688	6.2
188.07091	1.6
189.05482	1.0
200.07091	4.8
201.10257	4.6
209.07274	0.9
211.08603	0.6
213.06854	0.4
213.09032	1.0
227.08191	17.2
229.09734	0.5
231.07756	2.4
245.09250	20.7
255.07730	2.9
273.07568	72.5
274.07944	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04688	0.2
53.03925	0.2
55.01887	0.2
55.05521	0.2
65.03938	0.6
67.01868	2.3
68.99797	1.9
69.03442	1.7
70.95904	0.3
70.96241	0.4
78.26463	0.2
79.01849	0.2
81.07050	0.3
83.01315	0.6
90.42897	0.2
91.05488	7.4
95.04967	2.4
97.02906	1.1
97.54306	0.2
105.07090	0.3
107.04963	2.3
111.00825	0.7
119.04955	18.7
121.02908	0.3
121.06521	0.7
123.04443	4.9
127.03918	0.2
133.10056	0.2
147.04420	42.7
148.04707	0.2
151.03908	0.8
153.01837	100.0
154.02173	0.7
161.05780	0.2
171.02876	1.4
179.03384	0.9
181.06520	0.4
189.05482	0.9
207.06549	0.3
231.06538	0.7
255.06598	0.6
255.09709	0.2
273.07584	62.4
273.71497	0.2
274.07849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.24709	0.7
51.96909	0.6
60.69999	0.6
67.01855	2.8
68.99797	2.2
69.03428	1.9
70.75748	1.3
70.76070	1.0
72.88569	0.7
91.05486	6.7
95.04959	1.4
97.02911	0.8
106.63631	0.7
107.04943	2.4
111.00808	0.7
117.07007	0.8
119.04945	18.0
123.04427	14.0
147.04410	40.3
148.04816	0.9
151.03873	1.1
153.01831	100.0
159.03947	0.6
164.39233	0.6
171.02861	2.0
172.96977	0.6
189.05496	1.0
255.06519	1.4
273.07571	78.3
274.07916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.03965	0.2
55.01857	0.3
55.05516	0.3
64.54779	0.2
65.03930	0.3
65.29237	0.3
67.01869	4.8
67.05478	0.3
68.99794	3.0
69.03440	1.5
69.41238	2.0
77.01520	0.2
77.20393	0.3
81.03415	0.6
83.01350	0.4
85.02915	0.4
88.61057	0.3
91.05484	5.6
93.07046	0.5
95.04987	1.4
96.36086	0.2
97.02917	1.4
105.06992	0.2
107.04960	3.3
107.08576	0.4
111.00798	0.6
113.31838	0.2
118.91661	0.3
119.04948	14.2
119.08561	0.4
121.02854	1.6
121.06504	1.7
123.04440	6.4
125.02342	0.6
129.01820	0.5
135.04436	0.5
147.04419	36.6
149.06017	0.5
151.03891	0.5
153.01834	100.0
154.02162	0.5
157.06546	0.3
161.06046	0.5
167.08533	0.2
171.02899	8.1
179.03401	1.1
181.06523	1.0
189.05467	1.0
207.06755	0.3
213.09093	0.4
223.16351	0.3
227.07126	0.3
231.06622	0.5
239.96513	0.3
241.08635	0.3
255.06575	1.0
255.10277	0.4
273.07584	66.5
274.07916	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	Dihydrogenistein
Peak:m/z	Relative Intensity
50.01605	0.3
51.02377	0.5
53.03941	1.6
55.01865	0.8
55.88358	0.3
65.03939	4.2
67.49227	0.3
69.18616	3.2
69.18951	0.4
77.03924	0.8
79.01840	2.6
79.05493	0.8
82.84486	0.3
91.05482	55.0
92.05788	0.5
93.07038	7.2
95.04972	1.3
97.02876	0.5
103.05463	7.2
105.03364	0.7
105.04510	0.7
107.01323	0.5
119.04943	11.8
121.06504	76.8
122.06846	0.9
123.04407	0.4
125.02338	1.2
143.03392	2.9
147.04414	18.2
148.04840	0.3
149.37216	0.3
153.01834	44.6
153.02910	3.0
154.02135	0.4
165.05476	100.0
166.05836	1.5
171.08049	0.5
181.06418	0.8
199.07457	0.5
209.05959	0.4
212.04707	0.4
224.24847	0.3
227.06992	0.8
229.04910	0.3
240.04308	0.3
255.06523	0.6
258.05252	2.9
273.07568	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	271.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39662	0.6
55.05512	1.1
56.05028	1.6
56.08960	0.5
56.96572	3.2
57.03448	0.7
61.02921	1.1
67.05498	1.1
68.05030	1.0
69.03427	2.3
69.07064	1.0
70.06599	35.6
70.45265	1.3
70.45642	0.8
71.04985	1.0
71.06940	0.7
72.08160	1.0
73.02904	2.5
81.03428	1.6
81.07045	1.3
82.06581	3.6
83.06096	1.4
84.04498	1.6
84.08154	2.0
85.02889	2.7
86.06065	1.0
88.03995	6.7
91.05515	0.7
93.04541	0.9
93.07030	0.9
94.06583	4.8
95.06100	2.3
96.04464	0.8
96.08150	5.9
97.02891	1.8
98.06073	1.3
98.97580	2.6
100.03996	5.7
101.00871	0.6
107.04990	0.7
109.02896	1.3
110.06026	1.0
110.07181	14.7
110.97619	0.7
112.07619	40.7
113.10758	2.3
114.05547	9.5
116.98630	0.8
119.01919	1.3
121.06524	2.1
122.02399	1.1
122.06045	12.7
122.06848	1.6
124.03962	0.8
124.99078	0.6
126.09144	1.2
127.03907	1.2
128.98604	0.9
130.08699	0.8
132.06476	0.6
136.06174	0.6
138.05511	0.7
139.03995	0.9
139.05002	7.4
139.05881	0.9
140.03436	5.7
140.07079	9.1
143.00168	0.8
143.03435	1.0
145.03520	0.7
152.07072	1.0
153.01855	7.5
153.10204	2.2
155.11794	2.2
156.07709	1.4
157.09715	2.3
158.99722	0.7
160.15031	0.6
161.01268	0.7
163.12224	0.7
166.12296	4.3
180.03409	0.7
181.09723	2.6
184.05074	0.6
191.47322	0.6
194.08098	1.2
199.10797	100.0
200.11179	0.9
201.00716	0.6
203.00494	0.7
203.02290	0.7
208.14403	1.2
211.00899	3.5
212.09161	0.9
226.15527	2.9
237.02908	0.7
249.02879	0.8
253.01942	1.9
253.12816	0.9
254.15016	1.9
268.20444	0.6
271.03024	1.4
271.06094	2.1
271.09650	1.3
271.13934	1.7
271.16568	6.1
271.26501	1.1
272.11322	1.6
272.16077	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	272.1129
Annotation	Deidaclin
Peak:m/z	Relative Intensity
50.14243	0.8
53.03935	1.9
55.01860	2.0
55.05506	2.2
56.05033	1.2
56.96565	6.7
57.03422	2.6
61.02923	5.9
65.03915	3.0
67.05483	1.4
68.05007	1.8
68.99773	0.9
69.03436	7.1
69.07039	1.5
70.06600	10.0
71.49909	1.2
72.08153	8.7
73.02892	3.8
75.14948	0.9
79.05472	2.9
79.61666	0.9
80.04998	1.5
81.03393	3.7
81.07061	4.9
83.06115	4.1
84.04486	3.7
84.08145	2.1
85.02442	1.4
85.02907	23.1
86.09673	3.5
87.04444	1.5
87.57672	0.8
90.05091	0.9
91.03925	1.6
91.05463	3.1
92.05019	7.2
93.03388	1.5
93.04507	3.4
93.07022	1.2
94.06545	1.6
94.51019	1.0
95.04929	2.8
95.06096	6.9
95.57529	1.0
96.04461	1.4
96.08137	12.4
97.02896	8.7
98.06065	1.3
98.97585	6.2
99.04430	1.6
103.03908	2.8
103.05447	1.0
106.06551	14.0
107.04960	2.1
108.04459	1.2
109.02847	2.5
109.05289	6.5
110.06014	100.0
110.07139	38.1
111.04417	2.2
112.08747	1.5
113.07120	1.1
114.05521	1.2
116.06986	1.2
116.98586	1.9
120.04426	3.5
120.08049	1.1
121.06499	10.0
122.06026	13.0
124.03984	4.3
124.99103	1.6
127.03884	3.8
128.07019	0.9
130.04950	2.2
132.04477	0.9
134.06026	28.7
136.07533	2.3
137.05920	1.4
139.03813	1.2
140.03409	1.8
140.06995	1.3
143.00121	3.1
145.04935	3.3
146.05963	4.1
148.07581	2.3
152.07057	12.5
152.54675	1.0
153.01860	6.4
154.04921	3.9
156.07678	5.3
158.99638	1.3
161.01173	1.8
162.05464	2.3
163.12277	3.3
163.49399	0.8
164.07005	3.4
165.05470	4.9
174.05447	1.5
176.07051	5.5
184.02664	1.2
188.07053	1.4
189.00546	1.3
200.07098	1.4
208.14455	4.7
209.90787	0.9
215.13905	1.0
217.04765	1.0
218.08095	1.5
219.01775	1.2
226.15500	11.4
236.09077	4.8
244.11714	1.0
249.02760	1.5
251.48180	0.9
254.10257	8.1
254.14977	5.9
255.01819	1.0
267.03696	1.0
272.05200	1.0
272.11349	23.3
272.16003	34.0
272.25900	1.2
273.07462	1.2
273.11206	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01867	7.8
55.05516	14.8
57.03427	6.6
57.07079	2.3
65.03918	4.6
65.51858	1.9
67.05512	35.2
67.31281	1.7
69.03427	5.1
69.07082	18.1
71.05006	14.1
71.50329	2.6
79.05495	30.1
81.03423	2.2
81.06593	4.4
81.07066	78.0
83.04971	13.2
83.08636	10.5
83.40314	1.9
85.02891	2.2
85.06536	10.3
91.05491	37.2
93.07057	62.3
95.04989	15.7
95.08614	35.7
97.06530	23.6
97.10149	3.0
99.04469	10.8
99.08070	2.7
101.06071	2.4
105.07033	42.5
107.04951	6.8
107.08607	40.7
109.06519	33.4
109.10174	24.2
109.16164	2.0
111.08075	6.7
111.60922	2.0
113.05995	3.9
115.05478	3.6
117.07045	6.2
119.04922	5.5
119.08594	27.5
121.06520	100.0
121.10197	12.7
123.04472	4.3
123.08068	8.5
123.11720	7.0
123.75396	2.0
125.06000	8.9
125.09690	1.9
127.07545	14.5
128.06268	2.6
129.05447	2.2
129.06995	6.7
131.04921	2.7
131.08554	8.3
133.06497	2.6
133.10153	33.7
135.04456	6.2
135.08057	13.5
135.11678	6.4
137.05988	6.5
139.07561	13.4
141.06982	6.0
142.07831	4.2
143.07037	4.7
143.08592	12.3
145.06509	2.4
145.10126	11.0
147.08095	3.0
147.11702	39.5
149.09590	3.6
149.13278	3.9
151.11224	17.1
152.06230	2.5
153.06999	12.8
153.63605	2.5
155.08514	9.9
156.09384	2.3
157.06544	2.6
157.08614	5.8
157.10120	16.0
159.08086	2.7
159.11633	3.4
161.05959	2.4
161.09634	2.9
161.13306	14.6
165.07027	24.5
165.12749	16.6
166.07648	3.0
167.05881	2.4
168.05806	2.1
169.06421	4.9
169.07695	2.3
169.10172	2.8
169.12207	2.2
171.08034	3.4
171.11719	18.5
173.13217	3.6
175.11212	20.7
181.06479	5.5
181.10126	2.8
183.08069	11.6
183.11699	2.4
185.13246	2.6
188.18849	2.4
189.12781	25.0
191.14378	3.1
193.06454	3.9
193.12242	22.3
195.05531	2.3
196.05261	2.8
197.06007	4.7
199.11215	26.4
207.04604	2.3
207.13803	16.1
210.06807	2.8
211.07574	16.8
211.13258	9.5
212.08427	4.5
217.12256	96.0
221.06015	3.7
224.59787	2.1
225.05482	3.0
225.09152	4.4
228.07780	2.8
235.13321	68.2
239.06996	4.5
242.09386	3.3
243.07573	9.1
243.09995	4.5
253.08659	3.1
253.14323	33.2
271.06171	22.4
271.09698	34.9
271.15363	7.4
271.20554	4.1
271.24020	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	Amoenumin
Peak:m/z	Relative Intensity
52.29720	1.1
53.03946	1.2
55.01872	7.0
55.05494	2.6
65.03931	2.3
67.05489	3.9
68.99755	0.9
69.03416	2.9
69.07070	1.2
69.66924	3.6
69.67344	3.0
70.06580	2.0
71.04972	1.4
79.05477	2.9
81.03416	1.7
81.07035	4.6
83.04970	2.3
84.04491	4.5
85.02921	1.8
85.06540	1.1
89.03909	1.8
91.05486	16.0
93.07020	3.0
95.04986	5.0
95.08598	3.0
97.02868	1.9
97.06499	1.3
98.09669	2.6
98.21514	1.4
99.08070	1.6
103.05439	2.5
105.07011	2.3
105.23911	1.1
107.04948	6.6
107.08548	2.0
109.02838	2.0
109.06476	1.8
109.10162	2.2
110.07114	1.2
115.05440	3.5
116.10741	1.1
118.04142	3.4
119.04943	11.7
119.08557	2.3
121.06491	4.6
121.10172	1.2
123.00787	1.5
123.04416	3.4
125.05991	1.5
128.06210	1.5
129.06967	3.9
130.05054	1.3
131.04933	1.4
131.08528	1.8
133.10103	2.0
134.03615	2.8
135.04356	2.1
137.05981	8.6
138.06366	1.2
139.04016	1.0
140.06213	1.8
141.07018	10.7
142.07767	1.3
143.08508	1.8
145.06444	1.6
145.10086	1.8
146.03673	1.3
147.04391	3.4
149.05971	4.3
150.06732	1.9
152.06192	10.9
153.01845	1.4
153.07001	37.3
154.07686	4.8
155.07408	1.6
155.08569	18.7
157.06476	6.1
157.10130	1.2
161.05954	2.9
165.07011	86.6
166.07610	1.7
167.08516	2.9
168.05724	14.8
169.06505	8.1
169.10089	2.2
170.07185	1.7
171.04544	1.1
171.08003	1.3
171.79610	1.1
173.06004	1.5
179.04839	2.0
181.06477	23.5
182.07272	9.8
183.08070	42.1
183.11598	1.5
185.05928	4.7
187.07498	1.6
187.11243	1.3
193.06381	15.7
194.07211	2.6
195.08063	1.3
196.05176	8.0
197.05972	8.5
197.09671	2.2
197.13232	2.1
198.06819	3.2
198.14810	3.3
199.07513	3.0
200.08308	4.5
207.04362	6.5
209.06018	2.7
210.06706	5.5
211.07552	42.4
212.08267	5.7
213.05351	2.3
213.08899	1.5
217.12158	1.8
221.05980	21.3
225.05458	1.1
225.09061	6.5
225.16335	1.9
226.14320	5.0
227.07085	1.6
228.07837	6.1
238.06175	1.6
239.07056	13.4
242.09375	6.1
243.06493	2.3
243.10167	8.2
253.04922	1.7
253.08591	5.1
253.15755	2.4
256.07126	1.4
257.07980	1.5
271.06122	9.3
271.09625	100.0
271.17032	8.6
272.09549	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
51.02382	1.0
51.91455	0.8
52.11292	1.1
53.03935	1.6
55.01880	5.5
57.07066	1.2
57.79527	1.1
59.64141	0.9
65.03926	2.2
67.05482	2.1
67.73448	1.0
69.03417	2.2
69.07061	1.5
70.06599	1.2
70.89207	1.7
70.89537	1.1
72.08144	1.1
74.69216	0.9
79.05483	2.5
79.11553	1.1
81.03395	1.9
81.07044	5.9
83.04967	1.7
84.04513	4.7
85.02885	1.3
89.03897	1.3
91.05487	16.4
93.07014	2.0
95.04955	4.0
95.08588	3.6
97.02867	1.6
97.06521	1.4
98.09674	1.9
98.20833	1.0
99.08080	1.3
103.05441	1.1
105.07009	2.1
107.04954	4.4
107.08538	1.2
109.02901	1.5
110.24014	1.0
111.04369	1.0
115.05448	3.8
115.31534	1.0
118.04126	1.7
119.04944	8.6
119.08591	1.7
120.05689	1.3
121.06480	5.5
121.10184	1.2
123.04400	2.4
124.05206	1.0
127.03883	1.0
128.06226	1.7
129.06955	3.8
133.10129	1.8
134.03671	2.1
135.04404	2.4
137.05995	7.0
137.09525	1.4
139.05400	1.3
140.06268	1.5
141.06996	10.3
143.08482	1.2
145.06448	1.9
147.04361	2.9
147.08041	1.5
149.05975	3.2
152.06227	6.8
153.06985	30.7
154.07722	3.8
155.08565	17.6
157.06508	4.6
157.10104	1.9
159.11690	1.8
161.05920	2.9
165.07007	77.4
167.08522	1.7
168.05725	11.8
169.06525	8.4
169.10106	2.0
170.07220	2.5
171.08054	2.3
173.06042	1.4
175.07585	1.3
179.04846	1.3
179.08527	1.7
181.06485	18.8
181.10088	1.0
182.07275	10.6
183.08058	39.8
183.11671	1.3
184.08574	1.0
185.05893	4.2
185.07298	1.9
187.07544	1.5
187.11121	1.2
191.23529	1.3
193.06384	16.1
194.07257	2.3
195.08043	1.6
196.05234	7.8
197.05980	7.7
197.09602	2.5
197.13205	1.3
198.06783	1.3
198.14897	3.3
199.07495	2.5
200.08257	5.0
207.04457	4.7
209.05928	3.4
210.06786	7.4
211.07552	47.3
211.14618	1.2
212.08362	5.1
213.05312	1.5
213.09044	2.0
215.07056	1.2
215.10635	1.6
217.12198	1.2
221.05989	18.2
222.06589	1.4
225.05316	2.0
225.09131	5.8
226.14363	3.4
227.07158	1.2
228.07848	5.2
229.04938	1.3
238.06154	1.5
238.13277	1.0
239.07036	13.2
240.07651	1.3
242.09349	4.5
243.10085	6.1
253.08607	4.1
256.07260	2.1
257.08032	1.1
270.08734	1.2
271.06134	9.3
271.09619	100.0
271.16998	7.7
272.09885	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0603
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.01868	0.2
55.05508	0.2
57.25717	0.1
65.03928	0.3
67.01871	1.7
67.05507	0.3
68.99779	1.2
70.63587	0.3
71.04960	0.2
79.05457	0.2
81.03412	0.2
81.07056	0.3
83.08660	0.1
91.05487	2.3
93.07024	0.2
95.04995	0.2
95.08604	0.4
97.02856	0.2
100.11264	0.2
105.07021	0.2
107.04964	0.2
107.08636	0.2
109.02853	0.2
111.00797	0.2
114.72445	0.1
115.05499	0.1
119.04949	5.4
119.78858	0.1
119.88672	0.1
121.02864	1.4
121.06483	0.3
129.01862	0.2
129.07042	0.3
135.04451	0.2
135.08078	0.2
141.06972	0.4
145.02849	1.4
149.02330	0.2
151.03902	2.0
151.05019	0.2
152.06239	0.1
153.01837	11.8
153.06967	0.5
155.08525	0.4
157.06503	0.2
161.09819	0.1
163.03885	1.2
165.07013	1.7
168.05698	0.4
169.06499	0.4
171.02907	0.6
173.05988	0.3
181.06461	0.3
183.08098	0.8
185.05969	0.2
187.03951	0.4
196.05127	0.2
197.05995	0.5
203.06975	0.2
211.07570	1.0
215.07042	0.2
221.06079	0.5
225.05461	0.7
225.09378	0.1
228.07872	0.2
229.04994	0.8
232.99339	0.1
239.07069	0.2
243.06519	0.9
247.05823	0.2
253.04993	0.3
271.06027	100.0
272.06348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
59.64399	0.4
62.79264	0.4
65.03938	0.5
67.09970	0.5
69.86723	1.7
72.08161	23.9
73.02837	0.5
79.05502	1.0
81.07069	3.2
86.09716	0.6
87.00780	0.5
91.05489	20.0
98.06042	0.6
106.79779	0.5
109.02888	1.5
109.06512	1.8
111.15786	0.5
116.10690	1.2
119.04946	15.1
119.05789	0.9
137.05983	100.0
138.06319	0.8
149.06006	0.8
164.95879	0.5
208.13338	78.6
209.13632	0.8
252.15962	10.2
270.17020	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	271.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.2
55.01866	0.3
59.87946	0.2
65.03953	0.5
68.99789	2.0
69.03422	0.4
69.07053	0.3
79.05486	0.4
80.22144	0.2
81.03433	1.3
81.07051	0.4
89.03922	0.6
90.79807	0.2
91.05479	0.4
93.07063	0.3
95.01322	0.5
95.04968	0.3
95.08569	0.4
97.06511	0.2
105.07048	0.4
107.04980	0.5
107.08609	0.3
109.02863	0.9
111.04446	0.7
115.05457	0.3
117.03395	0.6
118.06509	0.6
119.04967	0.5
119.08598	0.3
121.06478	0.2
121.10176	0.2
121.83853	0.2
124.07610	0.5
127.03934	0.2
135.04402	3.6
137.02348	10.2
141.06973	0.9
142.07912	0.2
147.06670	0.3
148.07564	0.6
151.03963	0.3
153.01822	0.4
153.06982	0.5
155.03380	1.5
155.08597	0.3
157.06529	0.5
161.02361	5.1
165.07011	1.2
169.06474	0.4
173.05992	0.4
181.06479	0.5
183.08051	0.6
185.05991	0.5
190.38243	0.2
197.05968	0.9
211.07567	0.9
215.07098	0.5
221.05959	0.4
225.05460	0.8
225.09010	0.2
243.06509	0.5
253.04997	0.7
271.06018	100.0
272.06320	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03949	3.3
55.01856	3.3
55.05513	20.2
57.03441	29.1
57.07071	3.2
65.03921	2.0
67.05508	72.9
69.07069	30.2
71.04987	6.2
79.05498	44.2
81.07057	100.0
83.04990	10.2
83.08625	19.4
85.06541	6.4
91.05481	27.5
93.07043	71.9
93.07641	3.0
95.04960	9.4
95.08608	25.3
97.06530	16.1
97.10149	1.6
99.08086	3.4
105.04498	3.0
105.07034	9.8
107.08601	35.2
109.06514	3.8
109.10133	5.0
111.08117	10.6
113.09678	1.4
117.07013	12.7
119.08588	4.2
121.06479	2.0
121.10151	17.0
123.08103	1.5
123.11700	3.5
128.55803	1.4
131.08588	12.9
133.10141	12.0
135.08044	3.8
135.11707	11.6
138.22905	1.5
145.91771	1.5
149.09602	1.6
149.12085	2.0
149.13271	39.4
151.11140	2.7
159.11687	22.2
159.12906	2.7
177.12746	12.1
195.13800	15.2
226.63272	1.6
269.17484	51.0
269.22479	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03939	3.4
53.49924	1.4
55.01872	3.4
55.05270	1.7
55.05513	22.6
57.03440	29.4
57.07074	3.6
57.38007	1.4
65.03943	3.0
65.55231	1.4
67.05510	81.2
69.07072	29.1
70.95210	3.3
71.04980	5.2
73.02906	1.4
77.03933	2.2
79.05499	44.3
81.03427	2.3
81.07063	100.0
83.04989	7.9
83.08620	18.0
85.06532	4.6
91.05487	25.5
93.07048	71.5
95.04977	5.7
95.08614	23.3
97.06535	16.5
99.08102	3.8
104.68310	1.3
105.07036	11.2
107.08607	36.0
109.06516	3.0
109.10172	3.2
111.08059	6.6
111.11778	1.5
113.05984	1.8
117.07034	10.4
119.08571	2.9
121.10154	17.3
123.11748	1.8
123.40801	1.3
131.08572	12.7
133.10118	13.8
135.08058	2.8
135.11714	12.1
137.07390	1.5
149.09671	1.9
149.13266	46.9
151.11192	3.1
157.37962	1.4
159.11717	22.5
167.14323	2.5
177.12750	12.5
195.13841	16.2
213.14890	1.8
269.17514	52.4
282.42084	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03958	6.1
54.52893	1.2
55.01867	2.9
55.05272	1.4
55.05515	24.0
57.03440	35.5
57.07062	5.5
59.15338	1.1
65.03920	3.1
67.05508	83.6
69.07071	31.5
69.77546	6.7
71.04995	8.9
79.05495	53.7
79.05972	2.2
81.03403	4.3
81.07058	100.0
83.04985	17.1
83.08623	18.5
84.99669	1.2
85.06525	4.5
88.85346	1.3
91.05490	33.0
91.06063	1.1
93.07045	70.7
95.04960	6.1
95.08609	27.4
95.75082	1.3
97.06536	16.6
97.10177	2.3
97.41280	1.0
98.21243	4.3
99.08080	3.0
105.04512	1.7
105.07038	10.0
107.07881	1.9
107.08598	36.8
109.06511	3.4
109.10136	5.7
111.08076	10.6
113.06030	1.4
117.07018	11.1
119.08562	3.6
121.10139	19.1
123.11678	4.2
129.07021	1.3
131.08569	13.7
133.10115	11.1
135.08041	2.2
135.11705	11.1
139.07544	1.5
139.11220	1.7
147.11670	3.7
149.13261	37.3
151.11183	2.0
159.11681	18.9
177.12793	9.9
177.33565	1.3
195.13771	14.2
251.20110	1.8
269.17450	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.72808	1.1
51.86576	1.1
53.03945	6.3
53.36690	1.2
53.94812	1.0
54.72342	1.2
55.01864	3.6
55.05275	2.2
55.05516	28.1
57.03440	44.5
57.07062	4.6
65.03938	2.8
67.05508	87.8
69.07071	32.9
69.84025	3.5
69.84435	2.6
71.04993	6.8
71.08620	2.2
79.05499	57.6
81.03407	2.6
81.07062	100.0
83.04984	21.5
83.08628	21.2
83.74664	1.2
85.06551	7.7
85.06996	1.5
85.10180	1.2
91.05487	36.1
93.07052	78.5
95.04973	7.3
95.08610	33.3
97.06539	16.5
97.10172	3.6
99.08096	4.5
105.04520	2.5
105.07037	12.6
107.08601	41.7
109.06519	3.9
109.10140	5.3
111.08092	11.3
113.06008	1.5
117.07017	14.3
119.08585	4.0
121.06497	2.9
121.10160	21.4
123.11697	3.5
125.05058	1.2
125.09573	1.9
131.08577	14.6
133.10133	13.8
134.98174	1.1
135.08063	2.1
135.11725	12.3
139.11230	1.9
147.11664	2.3
149.09676	1.6
149.13271	37.8
150.41998	1.2
159.10439	2.3
159.11694	25.1
175.71623	1.1
177.12791	5.9
195.13800	13.0
269.08182	1.3
269.17493	56.9
269.26709	4.9
273.38544	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.12228	1.7
53.03943	4.5
55.01865	4.5
55.05514	20.7
57.03446	30.8
57.07075	3.3
58.96540	1.5
65.03930	3.1
67.05511	78.7
69.06731	1.9
69.07072	25.3
71.04987	6.4
71.15518	3.2
76.85860	1.6
77.03925	2.4
79.05499	45.9
81.03397	1.9
81.07064	100.0
83.04996	8.5
83.08628	19.9
85.06555	7.7
91.05489	29.4
93.07050	67.6
95.05000	7.2
95.08623	21.3
97.06530	14.8
97.10126	2.1
99.08073	2.6
105.04523	1.9
105.07034	10.9
107.07891	1.9
107.08598	34.8
109.06503	3.8
109.10135	4.5
111.08097	10.0
117.07011	10.5
119.08578	2.5
121.10152	16.6
123.08098	1.8
123.11670	3.0
130.96449	1.5
131.08592	11.6
133.10146	16.4
135.08124	2.3
135.11707	12.2
147.11716	2.1
149.13272	39.3
151.11140	3.1
159.11702	20.8
177.12791	12.5
195.13821	13.1
213.14859	1.5
258.26520	1.8
259.75980	1.9
269.17502	44.8
282.19547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.98380	0.9
53.00298	0.9
53.03940	3.5
55.01861	2.4
55.05280	1.6
55.05518	24.2
55.48326	1.0
57.03444	36.5
57.07065	3.2
57.42680	0.8
60.48516	1.0
61.32128	0.8
65.03937	3.2
67.05512	83.0
69.03394	1.0
69.07074	28.6
70.25978	0.9
70.77837	2.7
70.78203	1.2
71.01356	0.8
71.05005	6.2
79.05500	46.6
81.03414	1.6
81.07065	100.0
83.04987	11.2
83.08158	1.2
83.08623	19.3
85.02892	1.1
85.06552	5.5
91.05490	30.5
91.54984	1.1
93.07053	74.2
95.04981	6.2
95.08619	25.9
97.06538	15.8
97.10143	2.7
98.23830	1.0
99.08082	4.4
105.04536	1.3
105.07039	11.6
107.07880	2.0
107.08604	37.3
109.06503	3.7
109.10139	3.5
111.08098	8.8
111.11781	1.0
111.52818	1.1
113.05997	1.2
113.09670	1.8
117.07014	11.4
119.08588	3.3
121.06520	1.9
121.10160	21.0
123.08083	0.9
123.11700	2.7
131.08601	12.5
133.10150	11.3
135.08043	3.1
135.11688	11.1
139.11177	2.7
147.11659	1.1
149.13277	42.9
151.11217	1.9
159.10486	1.6
159.11714	25.1
177.12781	12.7
195.13855	13.1
213.14984	1.3
269.17496	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.41227	1.3
53.03938	3.5
55.01863	3.6
55.05271	2.0
55.05513	24.3
57.03441	34.3
57.07058	3.1
61.51530	1.4
65.03942	1.8
67.05509	81.9
69.06738	2.2
69.07071	27.7
69.28650	10.9
71.04983	6.2
78.16888	1.3
79.05497	52.5
81.03423	2.5
81.07062	100.0
83.04993	10.6
83.08152	1.5
83.08628	18.5
85.06525	5.8
91.05486	24.6
93.07050	70.0
95.04958	6.5
95.08626	24.4
97.06539	17.1
97.10144	1.5
99.08109	3.4
105.07043	7.8
107.08599	34.2
109.06525	2.8
109.10135	3.9
111.08095	8.9
117.07045	10.3
121.10152	17.6
123.08052	1.9
123.11743	2.5
127.07523	1.8
131.08595	12.3
133.10161	10.1
135.08049	2.3
135.11705	10.8
139.11182	1.7
145.14671	1.5
149.09668	1.7
149.13266	45.8
151.11153	2.8
159.11700	24.5
161.13344	1.5
177.12817	9.3
195.13828	13.2
269.17480	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01865	2.9
55.05513	19.6
57.03163	1.9
57.03440	34.5
57.07063	3.6
65.03933	3.2
67.05506	85.2
69.07069	29.6
70.95107	1.6
71.04997	6.4
73.02902	1.4
77.03897	1.7
79.05495	55.6
81.03418	2.6
81.07059	100.0
83.04988	8.4
83.08617	20.0
85.02927	1.5
85.06543	6.6
91.05480	27.0
92.09177	1.1
93.07045	70.0
95.04979	6.2
95.08610	24.5
97.06549	15.9
97.10191	1.3
99.08066	3.8
105.04533	1.8
105.07022	9.7
107.08601	34.2
109.06523	1.4
109.10126	4.5
111.08074	8.0
113.09596	1.7
117.07031	10.4
121.10144	21.2
123.11707	4.6
131.08571	15.1
133.10136	16.0
135.08049	2.1
135.11687	12.8
147.11642	2.4
149.09570	2.1
149.13266	39.2
151.11171	2.6
159.11703	22.6
177.12744	10.4
195.13832	15.7
221.91449	1.1
269.17493	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.52846	1.3
53.03943	3.9
54.05308	1.2
55.01862	4.0
55.05267	1.8
55.05514	20.1
57.03442	32.6
57.07067	2.8
60.47946	1.2
61.38334	1.1
62.60147	1.3
65.03930	3.1
67.05509	81.4
69.03423	1.5
69.07071	29.9
69.42001	7.3
70.23030	1.2
71.04980	5.4
74.22678	1.2
77.03947	1.6
79.05495	52.0
81.03419	3.5
81.07061	100.0
83.04986	10.9
83.08619	16.8
83.09067	2.0
83.75557	1.3
85.06539	4.6
91.05489	27.6
93.07051	72.3
95.04974	7.0
95.08614	25.3
97.06541	16.7
97.10139	1.6
99.04479	1.6
99.08076	4.2
105.07022	12.3
107.05006	1.2
107.08597	36.6
109.06502	3.1
109.10140	5.1
111.08095	9.2
117.07019	12.2
119.08575	2.8
121.06537	2.5
121.10152	17.9
123.11701	4.5
123.12561	1.4
131.08583	11.6
133.10153	15.2
135.08070	3.6
135.11697	10.8
149.09674	3.4
149.13268	43.6
151.11237	1.9
159.11714	18.3
162.96942	1.3
164.50749	1.2
177.12775	11.7
184.68646	1.4
195.13794	13.7
224.68910	1.3
269.08142	2.1
269.17490	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
54.76007	1.0
55.01870	2.6
55.05274	1.2
55.05515	20.4
57.03442	32.6
57.07057	4.5
59.05047	0.9
62.10885	1.0
65.03928	3.4
67.05509	75.5
69.03413	1.0
69.07070	30.3
70.25906	1.1
71.05002	9.5
73.02936	1.6
77.03946	1.8
79.05499	51.8
81.03414	2.3
81.07062	100.0
83.04991	10.3
83.08624	18.3
85.06551	5.5
91.05485	25.6
93.07050	65.8
93.07543	1.0
95.04958	5.6
95.08613	24.0
97.06535	17.0
97.10203	1.9
98.21618	2.2
99.08092	3.6
105.07037	10.7
107.04959	1.8
107.08603	37.5
109.06527	3.5
109.10141	4.0
111.08089	9.9
113.09611	1.7
117.07014	11.2
119.08560	3.2
121.06520	2.5
121.10149	21.0
123.11700	4.3
125.09619	1.4
131.08571	14.4
133.10127	12.5
135.08047	1.9
135.11671	11.1
139.11226	1.6
147.11728	1.1
149.13268	43.5
150.13737	1.1
151.11150	1.3
159.11708	20.1
167.14326	1.9
175.25525	1.0
177.12744	11.3
180.37265	1.0
195.13789	12.1
213.14981	1.2
269.08182	1.3
269.17502	49.2
270.18060	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32848	1.1
53.03932	4.9
55.01856	4.2
55.05275	1.5
55.05516	21.0
57.03442	31.1
57.07059	4.2
57.49658	1.2
63.06030	1.4
65.03940	2.2
67.05508	76.9
69.06737	2.0
69.07074	29.5
69.86275	7.3
70.38673	1.2
71.04987	6.4
79.05496	44.3
81.03408	2.2
81.07062	100.0
83.04987	11.7
83.08623	19.9
85.06533	4.9
91.04912	1.6
91.05484	30.9
93.07048	73.4
95.04969	6.9
95.08612	24.4
97.06532	17.2
97.10196	2.9
99.08094	6.0
105.07025	11.3
107.08601	37.5
109.06518	2.3
109.10137	3.5
111.08084	9.7
111.62980	1.4
113.09659	1.3
117.07019	11.6
119.08594	3.1
121.06503	2.4
121.10148	21.4
123.11709	5.1
131.08568	12.7
133.10139	11.7
135.08101	1.6
135.11711	11.7
139.11157	2.4
149.13271	47.4
151.11131	1.5
151.93970	1.2
159.11714	22.2
177.12772	13.2
184.09993	3.3
195.13791	14.1
213.14775	2.4
269.17468	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03943	5.1
53.82973	2.0
55.01864	3.4
55.05515	20.9
57.03441	31.7
57.07059	3.7
62.07985	1.6
65.03936	2.6
65.31244	1.3
65.96600	1.4
67.05509	77.7
69.06724	2.4
69.07072	30.1
70.25839	5.7
71.04988	7.3
79.05499	52.7
81.03423	4.0
81.07061	100.0
83.04985	13.8
83.08619	19.6
85.06522	6.2
91.05486	26.3
93.07047	72.7
93.07642	3.2
93.40855	1.7
94.07393	1.6
95.04959	6.1
95.08611	27.4
97.06532	16.4
97.10120	2.6
99.08079	4.3
105.07040	12.7
107.08598	37.3
109.06493	3.0
109.10172	4.9
110.05829	1.4
111.08091	11.1
113.05973	1.7
117.07027	11.6
119.08582	5.2
121.06484	2.8
121.10145	23.6
121.10941	2.5
123.11700	2.9
130.86069	1.8
131.08589	15.3
133.10138	13.0
135.08054	3.1
135.11697	14.7
143.01906	1.8
149.13266	41.5
159.11702	25.1
177.12738	13.1
189.61356	2.6
195.13823	14.7
195.60750	1.9
258.02902	1.6
269.08084	2.2
269.17502	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	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85434	1.1
53.03938	5.1
55.01861	3.4
55.05275	2.1
55.05517	26.6
57.03442	28.5
57.07064	3.8
58.37171	1.2
60.36273	1.1
65.03932	1.8
67.05509	82.3
69.07072	29.6
69.21606	7.0
69.22031	4.1
71.05000	6.2
79.05500	47.2
81.03422	1.8
81.07063	100.0
83.04987	11.2
83.08152	1.5
83.08625	18.8
85.06553	7.0
86.16466	1.4
91.05491	27.4
93.07050	64.3
95.04980	4.5
95.08614	29.5
97.06536	16.3
97.10161	4.0
97.79568	1.1
99.08086	4.0
103.09853	1.2
105.04517	2.9
105.07058	11.9
107.08604	30.6
109.06544	3.0
109.10171	11.2
111.08086	9.4
113.06026	1.8
117.07024	13.9
119.08610	6.0
121.06477	1.5
121.10155	21.1
123.11707	4.7
125.09637	1.4
127.07524	1.3
131.08562	12.0
133.10127	14.4
135.08046	2.2
135.11699	12.4
139.11212	1.9
145.10196	1.3
149.13271	41.5
151.11195	4.1
159.11720	22.0
177.12779	10.1
179.14288	1.5
195.13835	13.2
211.75763	1.2
213.14832	1.4
215.17949	2.6
233.19005	4.1
251.20137	9.3
253.01758	1.3
269.17490	50.6
270.34979	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03932	3.7
55.01849	4.6
55.05273	1.6
55.05513	22.4
57.03441	32.2
57.07055	4.2
62.39296	1.2
65.03927	2.4
67.05505	77.0
69.06731	1.9
69.07071	26.4
69.94003	4.9
71.04980	5.9
71.08603	2.3
79.05497	46.0
81.03425	2.3
81.07056	100.0
83.04987	14.4
83.08616	18.1
85.06521	4.4
91.05480	29.5
93.07042	64.6
95.04971	7.8
95.08615	24.7
97.06538	12.8
97.10164	1.3
99.08080	1.9
105.07030	10.6
107.07883	1.9
107.08600	34.3
109.06526	2.9
109.10139	4.4
109.40482	1.5
111.08090	8.6
113.05939	1.4
115.05465	1.4
117.07018	9.6
119.08591	3.2
121.06492	2.3
121.10151	18.5
123.11696	5.3
129.07014	1.4
131.08549	12.0
133.10141	11.1
133.30553	1.3
135.08034	1.8
135.11687	10.9
139.11159	1.4
147.11707	2.9
149.13261	40.9
151.11273	2.1
156.14853	1.5
159.11688	15.9
177.12724	8.2
195.13786	12.4
269.08179	2.0
269.17477	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.37540	1.0
53.03939	3.0
55.01880	2.0
55.05515	24.8
57.03442	29.3
57.07082	5.1
65.03924	2.4
67.05510	76.1
69.03413	1.8
69.07074	28.4
69.70765	6.6
71.05008	7.8
73.02928	1.4
75.00162	1.0
77.03918	1.9
79.05499	41.3
81.03429	2.3
81.07061	100.0
83.04981	9.7
83.08620	18.3
85.06547	7.2
91.05484	28.5
93.07049	71.7
95.04974	6.4
95.08003	1.3
95.08615	26.2
97.06540	17.6
97.10193	3.0
99.08081	4.0
105.04503	1.5
105.07029	12.1
107.08604	32.9
107.75855	1.5
109.06509	4.3
109.10148	4.8
111.08094	7.3
113.09660	1.2
117.07025	11.9
119.08595	4.0
121.06474	1.9
121.10151	25.4
123.08057	1.8
123.11697	4.2
131.08580	14.3
133.10138	15.3
135.08086	2.2
135.11714	12.4
137.06410	1.2
147.11674	1.7
149.09630	3.3
149.12032	2.0
149.13261	40.7
151.11256	1.9
155.08496	1.0
157.10251	1.3
159.10469	1.8
159.11714	23.6
161.13203	1.9
161.22447	1.1
177.09151	2.8
177.12752	10.9
179.14212	2.1
181.12251	1.3
191.10620	1.2
195.13815	13.4
209.11699	1.1
210.11227	1.7
241.08522	2.2
269.08179	3.4
269.17493	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1751
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03934	4.5
55.01875	2.9
55.05517	20.5
57.03443	28.1
57.07075	2.8
65.03941	3.7
67.05510	82.8
69.03433	2.0
69.06738	1.8
69.07076	26.8
69.62433	7.8
71.04997	6.9
75.74123	1.3
79.05502	46.5
81.03431	2.0
81.07064	100.0
83.04991	7.5
83.08622	19.1
85.06540	6.9
91.05482	26.3
93.07050	63.5
94.88212	1.5
95.04960	4.7
95.08057	2.4
95.08617	26.3
97.06532	13.7
97.10149	2.0
98.21546	1.3
99.08080	4.1
100.55029	1.5
105.04496	2.7
105.07030	12.4
107.08603	34.9
109.06525	4.2
109.10182	7.9
111.08095	8.1
111.11732	1.7
111.71343	1.1
115.07591	1.3
117.07031	11.4
119.08569	5.0
120.92920	1.3
121.06510	2.3
121.10162	19.2
123.08064	1.4
123.11682	4.4
126.68791	1.2
129.06934	1.9
131.08591	12.6
133.10161	15.0
135.08063	2.2
135.11697	12.0
138.49298	1.5
139.11192	2.1
145.10136	2.8
147.11726	1.9
149.09639	2.4
149.12054	1.9
149.13258	36.8
149.95741	1.2
151.11154	1.6
157.10201	2.2
159.11707	23.0
161.13348	1.9
173.13216	1.4
177.12772	10.6
195.13770	10.4
200.08365	1.3
210.11252	1.8
215.17987	1.7
249.99763	1.3
269.08054	3.9
269.17477	45.5
269.22458	9.4
291.56476	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.01878	0.6
55.75283	0.3
56.96572	1.2
57.03446	0.5
57.50454	0.3
60.04533	0.9
69.03439	0.8
70.06602	0.6
70.25960	1.3
71.01364	0.3
73.02915	0.3
79.05502	0.4
81.03427	0.6
82.06616	0.4
84.08142	2.9
85.02906	1.1
91.05476	5.1
93.06481	0.5
93.07049	9.0
94.04050	0.6
95.04991	1.4
96.09701	0.3
97.02847	0.7
98.97580	0.8
103.05472	5.8
105.04522	0.5
106.05043	3.0
107.04952	0.4
119.03557	1.5
119.04998	0.4
121.06510	88.7
122.06870	0.5
124.07639	0.6
128.06264	0.5
131.04823	0.5
131.08545	0.5
136.06194	100.0
137.04565	0.3
143.08560	1.5
148.06065	0.4
149.05948	0.5
150.05470	0.5
152.07039	0.4
153.01846	2.2
159.08031	0.9
160.05174	0.5
160.11215	1.0
161.05991	1.7
162.05534	0.8
163.03090	0.3
163.12355	1.1
164.07082	2.7
171.08052	1.4
174.06779	0.4
177.07852	15.9
177.09088	0.7
178.68645	0.3
188.10701	1.2
189.09128	1.0
192.10051	0.4
206.11774	67.1
207.12068	0.6
244.99652	1.6
250.10582	0.4
250.14413	10.6
263.00778	1.3
268.10358	2.7
268.11926	2.5
268.15405	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1544
Annotation	Codonopsine
Peak:m/z	Relative Intensity
51.14645	0.3
53.87867	0.3
55.05518	0.4
56.05043	0.8
56.96576	0.9
57.03444	0.7
58.06590	0.5
60.04522	4.5
61.02919	0.6
68.05026	0.4
69.03439	1.3
70.06595	2.6
70.28424	0.6
70.28822	0.7
72.04504	0.8
72.08163	0.4
73.02938	0.5
78.14942	0.3
78.57602	0.3
80.05004	0.6
81.03429	0.5
82.06580	10.0
84.04518	0.6
84.08149	5.5
85.02898	2.2
85.03359	0.3
91.05491	1.1
92.16109	0.3
93.07037	0.7
97.02892	1.1
97.61809	0.3
98.06048	0.4
98.21427	0.4
98.97588	0.7
101.00877	0.7
101.18277	0.3
102.05541	0.5
103.05407	0.7
106.05036	11.7
109.02872	0.4
116.07118	0.6
118.05025	0.5
119.01952	0.6
119.04862	0.4
121.06510	7.8
122.06904	0.5
123.04456	0.4
124.03965	1.0
127.03941	0.4
128.06232	0.4
130.05011	0.7
131.04929	0.4
131.08557	0.5
133.06483	0.4
136.06194	18.7
137.05963	0.9
138.05510	3.7
142.03490	0.9
143.08572	2.1
143.67413	0.4
145.06435	0.5
147.04408	0.4
148.06091	0.7
159.08124	0.8
160.04555	1.5
160.11172	0.9
161.06009	2.3
161.09648	0.4
162.05492	0.7
163.06253	0.4
163.07550	0.5
164.07056	3.8
170.03029	0.4
170.06615	0.4
171.08075	1.9
172.02975	0.5
176.07106	0.5
177.07852	22.5
177.09091	1.0
178.08501	0.6
188.10664	1.8
189.09129	2.2
192.10188	1.3
204.10228	0.8
206.11771	100.0
207.12091	1.2
208.04951	0.4
222.11371	0.4
223.09267	1.3
227.08748	0.6
232.08127	0.7
245.09909	2.1
250.09174	1.3
250.14392	17.4
251.14722	0.5
268.10440	3.1
268.15436	24.0
269.09879	0.6
286.13214	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1545
Annotation	Codonopsine
Peak:m/z	Relative Intensity
70.06599	0.3
70.53305	0.7
70.53649	0.4
76.82595	0.3
81.07005	0.3
84.08162	1.6
89.66825	0.3
101.23392	0.3
101.74339	0.4
105.07037	0.4
123.04405	0.5
128.06258	0.4
131.08575	0.7
143.08580	1.9
145.06438	0.6
159.08116	1.1
160.05206	0.9
160.11206	1.0
161.06004	2.7
162.05504	1.6
164.07071	3.1
171.08087	2.1
174.06740	0.6
175.07545	0.4
176.07057	0.8
177.07860	26.2
188.10689	2.5
189.09088	1.4
204.10234	0.6
206.11769	100.0
207.12042	0.9
215.10716	0.5
250.14398	19.1
260.03119	0.4
268.15451	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	268.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01858	1.3
55.05505	1.7
56.05036	0.5
57.03404	0.7
69.03412	0.6
69.07077	2.5
69.90849	0.7
69.91261	1.6
70.06572	0.6
72.04508	2.1
73.02915	1.4
79.05503	2.7
81.03419	0.7
81.07056	2.2
82.06589	0.5
83.04988	0.4
83.08595	0.7
84.08118	0.5
91.02398	0.4
91.05485	2.4
93.07059	3.3
94.06556	1.8
95.04976	0.8
95.08599	1.6
96.04469	0.5
96.08121	0.5
97.06535	3.9
98.21410	0.8
100.03979	0.6
102.05563	0.6
105.03379	2.2
105.07037	1.0
106.02959	0.6
106.03726	2.1
107.08579	1.3
108.07439	0.6
108.08120	8.4
109.08920	1.0
109.10138	0.7
110.09628	1.3
114.07581	0.4
118.70667	0.5
119.04931	1.2
119.08566	1.0
122.08865	0.8
122.09671	7.9
123.04448	0.8
123.10454	1.2
124.03962	8.1
124.07646	0.6
124.11222	1.0
133.10091	0.6
133.76512	0.5
135.10367	0.7
135.11691	2.4
136.06198	3.7
136.11224	4.4
137.05977	6.3
150.12787	19.3
151.13580	8.1
152.07097	2.2
156.10081	0.4
166.08661	0.6
168.10156	0.7
170.08142	1.3
170.11830	1.1
178.15915	3.3
180.10173	1.4
194.11742	3.0
195.12550	1.3
206.11827	2.3
208.69336	0.5
222.14880	2.0
224.16466	100.0
225.16766	1.2
226.18065	4.0
229.57875	0.5
233.11777	2.4
250.14369	0.8
251.12729	2.3
268.08035	0.9
268.19089	53.9
269.19363	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1043
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01866	0.2
56.96564	0.2
57.03423	0.6
61.59179	0.2
63.17406	0.2
69.03435	0.3
69.94511	0.9
84.08146	0.4
85.02893	0.4
93.07072	0.2
94.04050	0.3
119.03551	1.1
120.55169	0.2
121.06506	2.0
136.06198	100.0
137.06667	0.2
175.15648	0.2
177.07904	1.3
177.25011	0.3
192.10159	0.2
206.11777	4.6
209.72685	0.2
250.14430	0.6
268.10403	4.6
268.15189	1.3
269.78568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
53.99391	0.3
55.01879	0.6
56.96566	1.2
57.03445	0.4
58.06591	0.3
60.04534	1.8
69.03432	0.7
70.06599	0.8
71.49804	0.4
72.04523	0.5
77.03938	0.7
77.65168	0.3
79.01846	0.4
79.05486	0.3
81.03421	0.5
82.06593	0.7
84.08149	3.2
84.33633	0.3
85.02914	1.3
88.03999	0.3
91.05496	5.5
92.07595	0.3
93.07054	8.2
95.04984	1.0
96.36738	0.3
97.02880	0.7
98.06032	0.3
98.97628	0.4
102.04710	0.4
103.05482	7.1
105.04567	0.8
106.05037	5.0
106.12447	0.3
107.04980	0.5
120.06638	0.4
121.06516	100.0
122.06861	0.9
123.04511	0.5
136.06201	6.0
137.05965	0.7
143.08575	1.3
143.13000	0.3
148.06085	0.7
150.05519	0.4
151.05887	0.5
152.07147	0.5
153.01869	1.7
154.08586	0.5
159.08073	0.8
160.05327	0.7
160.11264	0.7
161.06007	2.2
162.05463	0.7
164.07095	2.0
171.08081	0.9
176.07002	0.4
177.07857	16.1
177.09064	0.7
178.08646	0.4
188.10712	0.9
189.09113	0.8
190.08562	0.3
204.10280	0.5
206.11783	66.0
207.12131	0.5
240.12177	0.4
244.99677	1.0
250.10643	0.8
250.14409	12.1
263.00522	0.6
268.11850	7.7
268.15448	16.7
289.25208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1957
Annotation	(R*,R*)-4-(1-Hydroxy-1,5-dimethyl-4-hexenyl)-1-cyclohexene-1-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
51.86107	0.7
53.03942	1.7
53.12678	0.8
55.05526	4.9
57.03436	1.8
61.32190	0.9
67.05511	15.0
69.03435	100.0
69.07069	4.2
70.02180	3.5
70.03760	0.9
71.04990	0.9
71.70357	0.9
79.05505	10.0
81.03425	7.6
81.07065	19.5
83.04983	2.6
83.08607	2.8
85.06569	2.3
89.62335	0.8
91.05489	13.4
93.07056	10.2
95.04982	4.2
95.08624	13.3
95.76291	0.8
97.06544	9.0
97.10176	1.8
98.20839	1.2
98.21347	1.5
98.98495	2.5
105.07048	12.1
107.08620	8.8
109.06540	5.0
109.10174	7.3
111.04451	1.9
111.08108	1.7
117.07063	1.4
119.08589	5.5
121.06513	1.9
121.10149	6.0
123.08090	5.1
123.11718	2.4
125.06093	1.3
125.09691	0.9
127.07597	1.1
129.06929	1.0
131.08562	2.9
131.13991	0.8
133.10141	20.0
135.08063	1.3
137.09633	3.9
141.57108	0.9
143.08574	1.8
147.08015	1.2
147.11707	6.6
149.09633	4.6
149.13315	1.4
151.11137	5.3
157.10132	2.8
161.13315	1.2
165.12767	1.7
165.16350	1.2
175.11230	2.4
175.14888	1.0
182.98923	1.1
189.16399	5.0
191.29201	0.8
193.12219	2.6
199.14937	4.0
207.17502	3.9
217.15926	3.8
235.16933	25.5
245.48860	0.9
267.15967	3.5
267.19693	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1957
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
50.44666	1.1
52.49582	0.9
53.03942	2.5
55.01877	2.3
55.05510	7.7
57.03429	3.8
57.07073	1.7
60.11367	1.0
65.50075	1.1
67.05516	16.8
69.03433	100.0
69.07084	5.5
69.21286	6.2
69.21719	4.4
70.83572	1.2
71.04971	2.5
79.05492	13.6
81.03423	17.0
81.07061	28.4
83.04967	2.8
83.08617	4.9
85.06548	2.3
91.05489	14.6
93.07048	12.9
95.04987	6.0
95.05513	0.9
95.08614	14.8
97.06537	11.9
97.10189	1.6
98.98472	51.7
99.08104	1.9
104.69909	1.0
105.07041	13.1
107.08595	9.8
109.06518	7.5
109.10155	7.9
111.04441	2.4
111.08066	2.9
117.07008	1.5
119.08575	7.1
121.06517	2.8
121.10162	6.9
123.08056	6.3
123.11709	3.5
129.07008	2.3
131.08556	3.4
131.71516	1.1
131.72684	1.2
133.10143	20.6
135.07996	1.0
135.11746	1.3
136.03920	0.9
136.06145	2.6
137.09622	4.3
137.13232	1.3
143.08592	1.9
145.10132	1.3
147.11705	8.2
149.09622	5.2
149.13272	2.2
151.11206	6.0
155.04691	3.2
157.10130	4.3
165.12721	1.4
175.11191	3.7
175.14821	1.5
189.16388	4.4
193.12286	3.6
199.14807	3.9
207.17450	3.7
217.15932	5.4
235.16939	29.2
249.12665	1.3
267.15936	9.0
267.19464	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	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03946	5.6
55.01850	1.4
55.05514	8.0
57.03438	23.1
57.04047	0.8
67.04918	0.8
67.05186	1.1
67.05508	17.1
69.03419	2.5
69.07070	5.5
69.82149	3.8
71.04978	2.6
79.05495	14.6
79.59116	0.7
81.03419	100.0
81.07058	25.1
83.04993	6.1
83.08152	1.0
83.08622	11.3
85.02940	1.0
85.06509	1.4
91.05487	22.2
93.07053	9.8
95.04981	20.9
95.08610	9.1
97.02889	1.8
97.06524	2.0
97.10136	1.7
98.98454	1.4
105.07029	16.8
107.04958	4.4
107.08586	4.1
109.06517	3.3
109.10137	1.5
111.04434	1.7
111.08078	6.5
115.05425	1.5
117.07005	1.5
117.90491	0.9
119.08579	14.4
121.06535	2.1
121.10147	6.2
122.05300	0.8
123.08082	2.1
123.11686	3.6
129.07013	7.3
131.08559	8.0
133.06500	2.5
133.10117	4.4
137.09602	2.2
142.07765	2.1
147.08002	3.3
147.11697	14.4
149.09607	3.9
157.10146	9.6
157.87405	0.9
163.11244	1.2
165.12773	4.2
165.54440	0.9
175.11183	8.7
193.12241	20.5
206.61041	0.9
211.13301	2.5
223.13329	1.0
255.78285	0.8
267.15915	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	267.1957
Annotation	(R*,R*)-4-(1-Hydroxy-1,5-dimethyl-4-hexenyl)-1-cyclohexene-1-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
53.03950	1.3
55.01876	2.8
55.05508	7.0
56.96569	1.2
57.03438	5.0
57.07062	1.7
60.34552	0.9
63.16012	1.0
67.05507	18.9
69.03435	100.0
69.07080	5.8
71.04996	1.5
73.64764	1.2
79.05499	14.7
81.03425	19.3
81.07062	24.8
83.04975	2.8
83.08614	4.7
85.06545	1.9
91.05488	17.1
93.07052	10.7
95.04992	7.9
95.08607	14.0
97.06544	13.1
97.10172	2.5
98.20921	5.0
98.98476	54.3
99.08078	1.6
105.07048	14.6
107.04975	1.7
107.08609	9.6
109.06548	6.4
109.07146	1.2
109.10180	7.7
111.04405	1.8
111.08086	3.9
113.06086	1.3
117.07032	1.3
119.08583	8.5
121.06561	2.3
121.10180	7.3
123.08064	5.9
123.11694	3.4
125.09635	1.4
127.07536	1.1
129.06989	1.7
131.08569	2.7
133.10138	18.8
135.08038	1.1
135.11708	1.7
136.06154	1.5
137.09624	3.4
140.01074	1.0
143.08495	1.2
145.10162	1.9
147.08052	1.1
147.11711	9.6
149.09651	5.0
149.13277	1.9
151.11174	6.8
155.04666	2.6
155.08563	1.2
157.10159	3.9
161.09476	1.1
165.12717	2.0
165.16408	1.2
171.11610	1.3
175.11160	4.2
175.14803	1.9
189.16449	5.7
193.12254	4.7
194.86459	1.0
199.14819	4.9
207.17487	4.2
211.10950	1.2
217.15895	6.6
235.16939	28.8
267.13480	1.4
267.15958	11.7
267.19336	2.1
267.23636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.248
Annotation	Lepadiformine B
Peak:m/z	Relative Intensity
55.05503	1.1
56.05027	0.3
67.05490	1.0
68.05037	0.5
69.07057	0.9
70.06593	0.7
71.08632	2.6
71.50821	0.4
72.08130	0.3
79.05506	1.2
80.05005	0.4
81.03403	0.4
81.07049	2.7
82.06558	0.7
82.57616	0.2
83.04965	0.4
83.08576	0.4
84.08133	0.9
86.09696	1.0
91.05474	1.0
93.07040	0.9
95.08606	2.7
96.08111	0.8
98.06031	0.3
98.09665	0.4
100.11208	0.4
105.03417	0.5
107.08572	0.7
108.08140	0.3
109.08877	0.5
109.10123	0.3
110.09672	1.0
112.07570	0.5
112.11230	0.4
119.08551	0.3
121.06498	0.3
121.10173	0.4
122.09645	1.2
123.10471	0.8
123.11660	0.8
124.11244	0.9
131.08551	0.3
135.11667	0.6
136.11197	1.3
137.11990	0.9
137.13245	0.9
138.12740	0.6
147.11671	0.4
150.12770	5.9
151.13525	0.4
152.14326	3.5
164.14336	0.8
165.15086	0.6
166.15939	10.7
168.13849	2.8
168.17467	1.8
169.15565	0.3
178.05852	0.4
178.15892	3.1
179.16667	0.3
180.17491	1.1
183.77133	0.3
192.17485	5.7
193.18233	1.6
194.19060	0.9
220.20593	1.6
222.22171	100.0
223.22551	1.2
224.23766	0.5
248.12816	0.3
266.24792	75.2
267.15939	0.5
267.25156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03951	6.1
55.01867	0.9
55.05501	1.4
57.03439	2.6
61.02929	0.5
67.05502	2.8
69.03434	7.1
69.07066	0.9
70.06596	0.4
71.05003	1.0
71.50640	0.5
77.03936	1.2
79.05499	10.1
81.03422	13.8
81.07069	3.6
83.04996	0.4
83.08633	1.5
85.02910	10.0
85.06559	0.5
88.88290	0.3
91.05485	2.5
93.07070	1.5
95.04973	8.1
95.08613	2.5
97.02898	2.5
97.06525	0.9
99.04472	1.4
105.03397	100.0
105.04543	3.1
105.07015	2.5
106.03708	0.6
107.04975	1.8
107.08634	1.6
109.02887	3.4
109.06531	1.6
109.10159	0.8
111.08086	1.1
119.08597	1.4
120.08074	0.3
121.06516	0.8
121.10172	0.9
123.04440	9.6
123.08086	0.7
125.09601	0.4
125.58254	0.3
127.03927	3.4
129.07022	0.5
131.08548	0.7
133.06433	0.6
133.10185	0.8
135.04517	0.4
135.08087	0.7
136.06242	0.5
137.05983	0.6
137.09593	0.4
141.05470	0.4
142.07799	0.6
143.08531	0.5
144.97774	0.3
145.05096	0.3
145.10144	0.8
147.08084	0.6
147.11688	1.5
149.09647	0.8
151.07610	0.5
151.11182	0.5
153.01828	0.6
157.10162	1.1
159.11754	0.4
161.79544	0.4
163.11247	0.3
164.07011	0.6
165.05461	0.4
165.07497	0.4
169.08635	1.1
173.13445	0.4
173.42267	0.4
175.11235	0.8
191.10558	0.4
193.12282	1.7
199.47336	0.3
207.13689	0.4
231.10197	0.4
231.13947	0.4
235.15250	0.4
238.50151	0.3
249.07654	1.5
249.11328	0.5
249.14760	0.7
267.08621	0.6
267.15750	3.9
267.20441	0.4
272.35809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03939	2.4
55.01861	2.1
55.05267	1.1
55.05513	14.6
57.03442	8.8
57.07072	0.9
65.03925	2.0
66.50210	0.7
67.05508	37.9
69.03410	2.4
69.07067	16.3
71.04980	3.3
72.80350	0.7
75.14911	0.8
78.31076	0.7
79.05499	24.5
81.03423	9.7
81.07060	100.0
83.04989	9.3
83.08622	7.8
85.06553	6.8
85.86137	0.8
91.05486	30.6
93.07047	15.0
95.04979	7.1
95.08611	28.4
97.06538	9.0
97.10181	0.9
98.21494	1.7
99.08086	4.1
101.06010	0.9
105.03396	3.5
105.04501	0.9
105.07034	40.7
107.04929	1.4
107.08599	10.7
107.69184	0.7
108.02074	0.8
109.06522	5.3
109.10140	2.6
111.08064	2.3
113.06030	0.9
117.07018	1.1
119.08590	28.2
121.09329	1.2
121.10150	17.3
123.04466	0.8
123.08074	5.3
123.10824	1.5
123.11713	22.8
127.07550	1.8
129.07013	2.9
131.08568	2.8
133.07729	0.9
133.10088	4.2
137.13229	1.9
141.09100	0.8
145.10121	1.8
147.11696	57.8
149.09544	0.8
157.10132	3.5
165.12755	21.6
175.11192	2.6
183.13809	0.8
193.12256	3.5
195.64780	0.8
211.11064	0.8
214.54205	0.8
267.15924	95.7
268.16394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86238	0.5
55.05499	2.0
57.07080	2.3
60.81443	0.4
67.05517	0.4
67.13834	0.4
69.03442	0.9
69.07066	0.6
70.06575	0.7
71.51289	0.6
72.08132	1.5
79.05471	0.6
81.03415	1.7
81.07082	0.7
85.02946	0.7
86.90862	0.5
87.08115	7.8
91.05470	2.0
93.07025	0.6
97.02893	2.1
97.43234	0.5
97.87735	0.4
98.97593	0.6
99.04502	0.5
103.05431	0.5
105.03416	3.2
107.08620	0.5
109.02858	1.7
112.03980	5.0
115.05452	1.9
117.07024	4.6
118.06538	1.3
119.04910	0.9
119.08516	0.4
123.04379	0.7
127.03922	0.6
129.07011	1.6
131.04953	0.6
136.36617	0.4
137.05995	1.2
140.03447	8.1
143.04964	1.1
143.08574	0.6
145.06500	4.8
147.04407	2.3
149.05980	1.6
150.04007	0.5
153.01883	1.0
157.06503	0.8
161.05997	1.4
163.07564	9.2
163.08824	0.3
164.07085	100.0
165.07611	0.5
167.14232	0.4
175.07608	2.4
176.96135	0.5
177.07852	2.0
178.05814	0.7
180.10237	4.0
187.11151	0.5
199.11140	0.5
217.12202	2.2
234.14919	27.6
235.15044	0.5
266.06836	0.9
266.17563	35.9
267.18015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1751
Annotation	Ficuseptamine B
Peak:m/z	Relative Intensity
55.05516	10.1
57.07078	16.8
57.08615	0.7
59.89621	0.7
66.91807	0.7
67.05495	1.5
69.07066	2.7
69.56729	0.7
71.04985	0.9
71.42336	1.1
72.08144	2.9
78.07787	0.6
79.05500	0.8
85.57259	0.6
87.08112	63.7
89.09785	0.7
91.05491	2.9
95.04972	1.8
99.42541	0.7
105.07005	0.7
107.05000	0.8
109.02913	0.7
113.06007	2.6
115.05469	2.5
117.07018	12.0
118.06548	2.1
119.04942	1.3
121.06537	1.3
123.04454	1.4
128.05331	5.6
129.07019	1.6
137.05998	8.2
140.03441	0.9
143.05098	0.8
145.06494	19.0
146.06009	2.9
147.04434	1.9
148.05191	1.0
149.04855	1.1
149.06027	2.0
151.07552	1.2
157.06503	1.7
160.05312	1.1
161.05983	9.7
162.06779	0.9
163.06386	0.6
163.07553	19.7
164.07077	78.6
166.08688	1.3
175.07561	6.9
177.07918	1.3
178.05824	1.0
180.10210	35.1
189.09175	1.8
199.11320	1.6
217.12271	11.9
234.14919	38.9
248.09822	0.7
249.11201	4.4
266.17584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99356	0.3
61.02929	1.5
69.24250	3.0
71.05001	1.7
76.27642	0.3
79.05512	0.6
81.07068	2.8
84.61011	0.3
87.08115	0.3
94.04060	1.5
98.20726	0.7
104.04591	0.3
119.03545	3.8
136.06197	100.0
137.04591	1.2
150.07794	0.4
177.05440	0.6
178.05902	0.4
194.61345	0.3
234.13518	21.1
237.34457	0.3
257.47522	0.3
266.16141	47.2
267.16492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66848	0.7
55.05515	12.1
57.07080	15.5
62.60132	0.8
69.03425	1.2
69.07060	3.4
70.06599	0.9
71.35098	1.4
72.08145	2.8
79.05467	1.6
84.08150	1.2
87.08113	68.7
89.10789	0.9
91.05506	2.5
95.04984	1.3
97.02922	1.1
97.06544	1.0
105.03407	8.3
112.03970	1.0
114.15801	0.8
115.05437	2.0
116.28315	0.8
117.03372	1.9
117.07034	9.8
118.03729	1.8
118.06546	2.0
121.06543	1.1
123.04446	2.7
129.07089	1.1
136.06175	2.7
137.05991	5.7
140.03386	0.8
143.04922	1.2
145.02849	5.2
145.06494	17.1
146.03204	6.8
146.06061	3.3
147.04431	2.0
149.04909	0.9
149.05997	3.3
151.07620	1.0
153.05527	1.0
155.06100	0.8
157.06496	1.2
161.06001	9.8
163.07555	19.6
164.07077	81.7
165.09146	1.2
166.08673	1.2
166.93307	0.8
175.07588	5.9
177.05473	5.8
177.07921	2.0
178.05827	13.6
180.10208	34.7
199.11122	0.9
217.12250	10.1
234.14922	33.9
235.12524	0.8
235.15077	1.1
258.20172	0.8
266.17581	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2528
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
50.29918	1.3
52.46483	1.2
53.03930	3.0
55.05515	67.0
57.03418	4.3
57.07080	26.0
63.87120	1.2
65.03934	2.6
67.05509	67.9
67.75168	1.2
69.07072	93.1
71.04981	7.1
71.08643	15.8
71.50720	1.1
78.70927	1.2
79.05500	40.2
81.07063	80.1
83.04994	3.4
83.08627	62.5
85.06531	5.1
85.10178	8.0
91.05485	7.3
93.07051	47.5
95.04973	2.9
95.08614	76.0
97.06538	25.7
97.10177	42.6
99.08085	2.2
105.07050	2.8
107.04966	8.4
107.08600	32.3
109.10162	39.4
111.08089	11.2
111.11723	13.1
113.09634	1.7
121.06491	1.8
121.10148	65.1
123.11714	11.7
125.09691	6.5
125.13280	3.9
129.12804	1.5
131.08583	1.6
135.11699	53.4
137.13254	6.0
139.11148	3.5
145.02831	2.2
145.10147	2.0
149.13280	21.8
151.14850	6.7
153.12782	2.1
163.14819	7.4
165.16412	6.9
169.15903	1.5
177.05569	3.0
177.16377	4.0
183.17480	1.5
191.17992	3.5
203.12726	2.1
205.15945	1.5
205.19469	2.5
233.15425	2.7
241.98833	1.3
247.24239	44.5
265.25287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
55.01882	2.1
55.05515	63.4
57.03420	3.4
57.07082	25.4
65.03940	2.4
67.05511	65.0
69.07072	88.8
71.04993	5.3
71.08629	13.9
71.52021	1.8
79.05074	2.4
79.05499	35.5
81.07059	76.2
83.04956	2.5
83.08620	62.1
85.06539	5.5
85.10194	8.1
87.49206	1.1
91.05487	7.7
93.07046	46.0
95.04961	2.0
95.08610	70.3
97.06538	20.5
97.10173	40.6
99.08083	3.4
105.07042	2.0
107.04938	2.0
107.08598	27.3
109.10157	32.2
111.08089	14.2
111.11724	14.6
119.08565	2.3
121.10151	57.5
123.11728	16.9
125.09650	4.1
125.13248	1.8
127.11194	1.9
131.08588	2.2
135.11700	46.6
137.13261	4.7
139.11200	3.0
145.02806	1.5
149.13255	19.4
151.14796	7.2
155.14227	1.6
163.14789	5.6
165.16418	6.1
167.14395	1.3
169.15906	1.8
173.13072	1.4
177.05461	1.5
177.16396	3.5
191.17914	3.1
230.08376	1.4
241.98737	2.2
247.24211	43.7
265.14276	2.3
265.25272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49317	0.9
52.56402	0.8
54.39037	1.0
60.04527	13.0
61.99857	0.9
65.03941	1.6
69.56973	5.0
70.02951	7.6
87.08051	1.3
88.03996	57.2
88.48309	1.0
91.05484	84.6
98.21580	1.8
102.05547	100.0
121.74035	0.9
130.04970	1.9
146.05981	3.4
148.06055	57.1
153.37152	1.0
164.07069	1.4
191.41925	1.1
206.08063	2.3
220.09718	7.1
234.07755	1.0
234.14771	1.3
248.09074	1.7
266.10086	1.2
266.17563	2.5
268.82059	0.9
286.88293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.85469	4.4
53.03932	7.4
53.30069	4.2
55.01876	6.8
55.05495	19.8
65.03939	15.7
67.05499	27.3
69.03433	34.5
69.07054	9.2
69.42793	31.8
71.04986	6.4
71.43314	4.2
72.08150	11.6
74.54929	4.5
79.05483	21.3
81.03402	12.9
81.07052	17.7
83.04987	14.2
87.08099	14.6
89.10796	6.5
91.05491	52.6
93.03390	11.4
93.07046	40.3
95.04979	45.5
95.08611	24.4
97.02888	12.1
97.06525	33.3
98.06855	15.2
99.04467	7.4
105.07040	77.3
107.04939	5.1
107.08612	30.7
109.02861	10.4
109.06512	31.3
109.10147	9.5
111.04439	32.7
111.08031	6.0
113.05991	10.6
115.05432	9.9
115.08667	5.5
117.03358	20.8
117.07027	25.4
119.04912	6.5
119.08591	100.0
121.02872	41.7
121.06513	43.5
121.10113	15.5
123.08059	18.9
125.06055	6.1
128.06198	9.1
129.06985	18.9
131.08577	47.8
133.06506	13.3
133.10130	17.4
135.08058	72.2
135.11661	4.7
137.05946	18.9
137.09593	19.5
138.06313	11.8
139.03897	16.2
139.07553	8.0
141.06966	6.3
142.07806	9.6
143.08528	13.8
144.09390	6.9
145.02866	48.6
145.06468	14.3
145.10126	40.2
147.08051	36.9
147.11662	12.6
149.05948	11.9
149.09601	13.6
155.08553	10.2
156.09340	5.1
157.06451	5.6
157.10135	23.7
158.07260	15.6
159.08058	39.9
159.11676	37.4
161.05946	9.1
161.09615	31.7
161.13235	7.6
163.07571	10.2
164.07083	25.4
165.09143	27.8
168.09317	5.8
171.08113	7.0
171.11697	10.0
172.08807	18.2
173.09613	15.4
173.13231	16.7
175.07553	78.4
175.11159	36.5
177.05478	95.3
180.10110	6.8
183.11674	13.2
185.09633	6.0
185.13179	4.7
186.10324	5.0
187.11240	39.7
189.09100	12.7
189.12810	13.1
191.03392	4.3
193.08650	21.6
196.08833	8.7
199.11150	15.7
201.12782	32.1
203.10658	41.0
205.12177	6.7
211.11206	19.0
217.12181	26.9
219.13750	13.1
229.12262	27.2
233.11917	4.9
234.12094	12.2
234.14888	8.3
240.76033	4.7
247.13301	48.0
248.12958	8.4
253.15741	4.3
265.14078	51.1
266.17514	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01860	2.2
57.03438	0.9
57.42426	0.6
66.29301	0.6
67.05495	3.5
68.99783	0.9
69.03419	1.4
69.07069	11.0
70.06578	1.5
71.05011	0.8
72.08140	0.9
78.99735	0.6
79.05492	12.8
81.03440	1.3
81.07047	1.1
91.05486	13.3
93.07040	1.1
95.04954	0.8
97.06532	100.0
97.81437	0.7
98.06918	0.9
105.07011	0.8
109.06535	1.2
110.06027	1.2
114.54614	0.7
117.03392	1.2
119.04942	8.1
121.06508	3.9
131.04900	1.1
132.08044	1.2
133.06511	1.5
134.06039	1.7
135.04411	2.1
136.06149	1.3
137.05981	65.7
138.05484	0.9
145.02887	3.5
147.04410	6.9
148.06218	4.4
149.05988	2.7
161.09497	0.8
163.07593	0.9
177.05498	4.3
177.09140	1.1
189.09119	11.5
192.10245	1.3
204.12444	1.4
215.10686	1.9
228.96564	0.7
232.15398	1.0
233.11734	54.9
234.12122	0.9
235.13416	0.8
243.82106	0.7
247.13307	2.2
264.08530	1.4
264.16025	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.05516	0.4
57.07077	5.8
57.55335	0.3
59.99112	5.7
60.77184	0.3
61.25389	0.5
67.05498	0.5
71.50799	0.5
72.08157	0.7
77.03930	0.5
78.95792	0.3
79.05496	2.2
93.07046	0.9
95.04995	0.7
98.97578	0.7
102.99661	3.5
105.07046	0.5
106.06559	100.0
107.06894	0.4
107.08565	0.6
121.02890	0.6
121.06505	2.2
132.04459	0.5
138.32950	0.3
141.12056	0.4
144.81929	0.4
148.90460	0.3
149.07114	2.7
190.05882	0.5
201.05501	0.5
208.05405	51.9
218.05244	0.6
226.40819	0.4
247.05978	0.4
264.08881	0.6
264.11682	9.7
264.19589	0.7
268.49747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.5
53.03949	1.2
55.01875	4.0
55.05510	0.5
56.00614	0.4
57.03436	1.1
58.83043	0.4
65.03941	0.6
67.05511	2.5
69.03419	1.3
69.07070	12.9
70.06597	11.0
71.04984	0.6
71.51034	0.6
72.08136	0.5
74.95737	0.4
78.31842	0.5
79.05496	14.1
81.03397	0.7
81.07055	0.8
86.09696	0.6
89.03899	0.5
91.05482	16.8
93.07019	0.5
95.04980	1.1
97.06534	100.0
98.06866	0.5
101.70024	0.4
103.05484	0.4
105.04543	0.6
107.04984	1.4
109.06516	1.5
116.07094	6.7
117.03393	1.2
117.07027	0.4
118.51579	0.4
119.04942	10.3
120.04465	0.5
121.02881	1.4
121.06503	2.1
123.35606	0.4
124.07632	0.8
129.09113	0.5
133.02876	1.4
133.06502	1.5
134.06001	1.3
135.04433	2.7
137.05981	74.7
138.09084	0.5
145.02852	4.5
145.06590	0.4
145.94948	0.4
147.04411	5.0
149.02353	10.1
149.05992	2.5
160.03981	0.6
161.05721	0.4
161.09665	0.5
163.07581	0.5
172.58733	0.4
177.05475	7.3
177.09013	0.6
189.09111	9.7
215.10625	2.0
218.08211	0.6
219.09326	0.4
232.13289	0.5
233.11732	82.6
234.12053	1.5
236.12953	0.6
246.07625	3.0
246.11343	0.6
247.13367	1.8
248.12747	0.5
264.12744	1.5
264.15964	47.2
265.09692	0.9
265.16159	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	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03942	2.2
55.05275	1.2
55.05514	14.4
57.03426	2.3
57.07085	11.9
65.03947	1.4
67.05510	87.9
69.06734	1.2
69.07075	16.4
69.33664	7.8
71.04995	2.2
71.08642	5.3
79.05077	1.4
79.05501	22.2
79.46929	0.9
81.07063	100.0
82.07390	0.9
83.04987	2.1
83.08624	13.9
85.06551	4.6
85.10175	2.5
85.18445	0.8
91.05485	16.1
93.07053	25.1
95.04960	0.9
95.08614	88.8
97.06528	7.5
97.10171	7.1
98.21018	3.6
99.08098	5.4
103.05486	0.9
105.07037	12.2
107.08598	15.1
109.06532	1.7
109.10167	50.2
111.08103	6.5
111.10136	1.0
113.09634	2.8
119.08594	13.1
121.10159	15.4
123.08100	2.4
123.11716	18.0
125.09641	1.9
127.11191	1.8
131.08586	1.3
133.10141	12.7
135.11691	9.6
137.09644	2.7
137.13295	8.2
141.12770	2.0
144.50775	1.0
147.11710	9.8
149.13266	8.4
151.11212	1.8
151.14847	6.4
155.14291	1.6
161.13293	8.5
163.14812	7.0
165.16394	9.8
167.14365	1.2
175.14844	8.6
177.16367	1.5
179.17973	3.6
184.45166	0.9
189.16385	3.6
191.17941	1.0
203.18082	1.1
207.17278	0.9
217.19608	1.9
245.22659	31.5
263.14734	5.7
263.23730	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53217	11.3
70.06590	11.3
71.05055	25.2
71.05400	11.9
98.64428	11.0
100.77812	13.8
101.00919	17.4
138.80162	10.9
143.01877	20.8
156.88242	10.4
157.02411	12.4
161.02985	23.1
263.01822	100.0
263.04651	14.9
263.05484	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	263.0552
Annotation	SCHEMBL12484718
Peak:m/z	Relative Intensity
55.01875	3.8
56.49828	2.8
60.13310	2.7
67.05501	4.2
69.03415	3.4
70.05623	11.1
70.59930	3.0
74.06252	3.2
75.01007	2.8
79.05515	3.7
81.07044	3.8
83.05000	7.3
91.05479	12.8
94.06610	3.6
97.02902	11.4
103.05440	4.9
105.07033	16.0
111.04450	8.6
115.05466	29.5
117.07005	13.8
119.04932	6.7
125.02389	15.0
127.05359	4.5
131.04921	4.3
133.06522	16.8
138.05505	14.2
139.03902	9.3
142.27307	2.9
143.04938	11.8
145.06494	64.7
147.04387	8.4
151.03876	5.0
153.01813	24.8
155.04933	6.5
155.06075	7.0
161.05952	34.9
171.04430	15.9
173.06001	63.0
175.03938	8.8
179.07088	8.7
181.01334	97.1
183.04494	5.5
189.05486	50.3
191.07013	8.8
193.04993	8.2
199.03958	12.5
201.05492	100.0
203.03372	6.2
207.02946	8.2
207.06535	17.6
217.04991	61.7
219.06540	79.9
221.04485	20.3
223.02502	6.3
235.06032	34.0
245.04428	27.2
250.40372	2.9
263.05542	44.2
263.13870	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	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03927	2.6
55.01857	1.4
55.05515	14.1
57.03436	1.8
57.07080	12.4
65.03927	2.5
67.05510	87.7
69.06741	0.9
69.07076	13.3
71.04978	1.6
71.08637	4.7
79.05495	22.3
81.07063	100.0
83.04971	1.6
83.08628	14.7
85.06543	4.4
85.10176	3.3
91.05482	15.8
93.07052	25.4
95.04955	1.3
95.08614	89.2
97.06547	8.4
97.10164	9.4
99.08120	4.5
105.07040	12.3
107.08602	15.9
109.06492	1.1
109.10165	46.1
111.08160	4.2
113.09644	2.4
119.08583	12.6
121.10146	15.4
123.08100	1.9
123.11711	18.3
125.09663	1.3
127.11190	1.6
130.89108	0.9
133.10129	14.1
135.11697	8.4
137.09607	2.8
137.13255	7.0
141.12743	2.0
147.11685	10.1
149.13269	9.6
151.11182	1.9
151.14857	10.0
161.13274	10.5
163.14827	7.7
165.12651	1.0
165.16447	9.3
175.14835	8.2
177.16405	2.1
179.17947	3.9
181.15842	1.2
189.16385	3.8
203.17868	1.8
219.21080	1.2
245.22676	31.2
247.03412	0.9
263.23724	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03932	1.3
55.01867	1.3
55.05517	13.6
57.03436	1.7
57.07074	11.3
65.03931	3.5
67.05509	80.7
69.07067	15.8
71.05003	2.5
71.08645	7.2
71.51285	2.0
72.96239	1.2
79.05501	22.4
81.07063	100.0
83.04990	2.6
83.08627	16.7
85.06523	3.6
85.10190	2.5
91.05478	17.1
93.07045	26.5
95.08614	89.1
97.06527	8.5
97.10185	7.2
99.08086	6.4
105.07043	11.8
107.08601	13.4
109.06497	1.5
109.10161	40.1
111.08077	6.0
111.11732	1.6
113.09646	2.5
119.08578	13.4
121.06513	1.4
121.10146	16.0
123.08055	2.4
123.11724	19.8
133.10155	17.4
133.57890	1.3
135.11684	9.6
137.09637	3.9
137.13274	10.0
142.91901	1.1
147.11691	9.9
149.13261	8.1
151.11140	1.3
151.14856	7.3
155.14326	1.0
161.13269	10.5
163.14819	7.2
165.16386	9.5
175.14810	7.4
179.17967	2.6
181.15927	2.2
189.16411	4.3
203.17934	2.2
219.83298	1.2
245.22685	34.5
255.64731	1.0
263.14578	1.7
263.23724	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	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.3
55.01851	0.7
55.05513	13.8
57.03442	1.8
57.07078	4.0
59.04998	0.7
60.01130	0.5
65.03942	1.8
67.05509	37.0
69.07072	12.0
70.04175	1.4
71.04985	2.5
71.08633	1.7
73.18012	0.6
77.03934	1.4
79.05497	52.1
79.16216	0.5
81.07063	45.5
81.86890	0.6
83.04993	1.0
83.08619	6.4
85.06563	3.7
91.04901	1.0
91.05486	28.4
93.07049	73.4
95.04990	2.9
95.08615	34.5
95.83298	0.5
97.06551	4.1
97.10179	2.9
99.08105	3.8
105.04522	1.4
105.07038	19.7
107.08602	46.4
109.06548	1.0
109.10161	15.7
111.08100	3.7
111.11712	0.6
113.09608	1.0
117.07027	7.3
119.06087	1.1
119.08588	15.5
121.10152	44.3
123.08080	1.4
123.11723	4.3
125.09622	0.6
131.08580	15.0
133.10139	13.6
135.11699	35.9
137.09657	2.0
137.13248	1.2
139.11212	0.8
145.10129	14.5
147.11699	11.2
149.09622	0.7
149.13269	27.5
151.11234	0.7
151.14815	0.8
153.12735	0.7
159.11702	11.5
161.13257	13.6
162.13518	0.7
163.14830	20.0
165.12793	1.9
165.16443	0.6
173.13269	10.2
175.14824	4.1
177.16382	4.9
179.14330	1.6
187.14850	6.6
189.16451	1.0
191.14410	0.7
193.15906	0.9
201.16376	2.9
205.15904	0.8
211.03725	0.6
215.17996	1.3
219.17496	1.2
224.93558	0.7
233.22688	1.5
243.21092	33.2
261.22153	100.0
262.22400	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03930	5.4
55.05518	17.6
57.07060	3.8
65.03925	2.0
67.05508	49.5
69.03432	1.6
69.07073	15.6
69.44753	1.5
71.04980	3.2
71.08624	1.7
77.03911	2.0
79.05494	72.5
81.07058	57.9
83.04991	2.3
83.08625	9.7
85.06522	3.4
91.05486	36.6
93.07047	94.4
95.04962	4.8
95.08611	46.8
97.06520	4.4
99.08066	4.6
105.07034	23.3
106.07322	1.5
107.07881	2.9
107.08601	57.6
109.06508	2.5
109.10152	16.9
111.08073	2.7
113.09640	1.7
117.06989	8.2
118.67589	1.4
119.08591	17.8
121.06512	1.9
121.10143	46.4
123.08031	2.6
123.11689	4.9
125.09698	1.7
129.07034	1.7
131.08580	19.7
133.10133	15.3
135.11691	39.6
137.09599	1.8
137.13216	2.3
145.10132	20.1
147.11710	14.9
149.13268	28.0
151.11176	1.9
159.11705	11.7
161.13269	14.4
163.14821	23.6
165.12761	2.1
173.13289	11.4
175.14841	5.8
177.16393	6.0
179.14293	2.4
187.14748	8.9
201.16441	2.3
205.05045	2.1
233.04355	2.3
243.21089	34.7
261.04123	3.5
261.22141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78619	13.6
70.66344	27.8
135.79109	13.5
176.01746	13.4
261.04797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42589	0.4
51.96604	0.4
56.96569	1.0
58.99339	0.6
58.99589	6.8
67.05507	6.7
69.03426	1.0
69.07071	21.0
70.06575	0.6
70.28307	0.8
70.28677	0.9
72.08157	0.4
73.01144	0.5
73.81853	0.6
75.01388	0.5
76.02242	2.6
82.06609	0.4
83.50318	0.4
84.04503	2.5
84.08144	0.8
86.09701	1.5
87.10026	0.5
88.03993	1.2
91.05468	0.5
93.07084	0.5
95.04932	0.8
98.97587	2.1
99.02673	2.5
101.04247	40.9
102.03732	0.5
110.06048	0.9
112.07603	1.8
116.98623	0.5
122.02719	0.4
127.02171	4.9
127.05768	1.8
129.03732	2.0
130.06514	0.7
138.05525	1.0
140.07063	5.8
144.04857	0.4
152.05286	0.6
155.01619	1.2
158.06013	1.1
168.04842	0.8
170.06377	1.1
170.99657	0.5
172.04282	100.0
173.04608	0.4
180.04762	1.0
197.07411	2.4
197.12923	0.7
198.05881	2.5
215.08533	6.5
244.06419	8.5
250.09624	0.5
254.08835	0.5
261.03943	0.8
261.09064	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	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03946	3.2
55.05273	1.5
55.05515	15.9
55.19580	1.1
57.03422	1.2
57.07082	2.9
65.03941	1.4
67.05511	45.2
69.07071	11.6
69.81290	6.7
71.04990	1.7
71.08649	1.7
79.05497	57.1
81.06589	2.5
81.07065	53.1
83.08628	8.0
85.06545	4.5
91.05488	25.9
93.07048	78.4
95.04951	3.8
95.08616	34.2
97.06516	2.9
99.08092	4.0
105.07037	16.3
107.08601	53.9
107.80277	1.3
109.06513	3.0
109.10158	15.4
111.08087	2.6
113.09618	2.1
114.64291	1.2
117.07028	7.0
119.08594	15.0
121.10146	46.6
123.08125	1.4
123.11702	4.7
125.09624	2.1
131.08594	13.5
133.10133	15.4
135.11693	35.7
137.09547	1.3
137.13268	1.7
145.10127	15.2
147.11719	11.4
149.09618	2.0
149.13269	27.1
151.11217	2.2
153.83403	1.3
159.11726	9.3
161.13272	13.5
163.13570	2.2
163.14825	19.3
173.13284	12.0
175.14867	5.5
177.16386	5.0
177.31764	1.1
187.14856	7.7
189.16464	1.3
201.16428	3.7
215.17892	1.3
233.22650	1.9
243.21100	28.2
261.22153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.05515	14.1
57.07060	2.8
65.03935	1.8
67.05508	47.5
69.07067	12.1
69.38445	10.5
71.04992	3.9
71.08607	1.6
76.53757	1.3
79.05498	61.7
81.06601	2.5
81.07064	49.3
83.08640	9.7
85.06539	3.4
91.05486	32.1
93.07050	75.6
95.04946	4.9
95.08612	31.7
97.06525	2.1
97.10181	2.2
99.08082	3.4
105.06412	1.5
105.07047	19.3
107.07873	2.6
107.08606	46.7
109.06525	2.4
109.10153	12.0
111.08079	3.3
113.09657	1.1
117.07029	6.1
119.08589	14.7
121.10152	43.3
123.08050	2.6
123.11694	3.9
131.08578	15.5
133.10141	15.9
135.10701	2.3
135.11703	36.8
137.09618	1.8
139.11169	1.4
145.10133	15.4
147.11688	11.3
149.13278	26.8
159.11668	10.4
161.13251	12.0
163.14832	19.2
165.12701	2.4
173.13263	10.5
175.14848	5.9
177.16440	6.1
179.14302	2.2
187.14836	7.3
189.16479	1.1
201.16420	2.1
215.18033	1.8
233.22658	2.0
243.21098	28.9
261.22150	100.0
262.22455	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02390	1.0
53.03961	3.3
55.01899	0.6
55.05267	1.1
55.05513	14.3
57.03436	2.1
57.07083	4.0
65.03931	1.5
67.05509	46.0
67.40940	0.5
68.13132	0.5
69.07069	14.1
70.63454	1.2
70.63771	0.5
71.05002	2.9
71.08616	1.2
77.03906	1.4
79.05499	60.0
81.03391	0.6
81.07061	48.4
83.05005	1.2
83.08625	7.7
85.06539	3.8
91.05486	31.0
93.07049	77.6
95.05000	3.8
95.08614	36.0
97.06528	4.2
97.10156	2.8
98.21243	0.8
99.08105	5.0
105.04513	1.3
105.06320	0.8
105.07037	21.3
107.08601	48.2
109.06509	1.9
109.10167	15.8
111.08123	2.6
111.11693	0.7
113.09626	1.0
115.05521	0.7
117.07011	6.8
119.06123	1.1
119.08586	16.0
121.10149	46.2
123.08105	1.7
123.11730	5.1
125.09633	1.3
129.07016	0.7
131.08575	14.1
133.10133	14.1
135.11702	35.2
137.09648	1.7
137.13235	1.6
139.11212	0.6
143.08528	0.7
144.30275	0.7
145.10126	15.0
147.11688	12.4
149.09656	0.8
149.13269	29.1
151.11201	1.6
151.14836	1.2
153.12703	0.7
159.11708	10.2
161.13278	12.3
163.11185	0.8
163.14821	20.6
165.12825	1.3
171.70297	0.6
173.13264	10.6
175.14816	4.8
177.16432	4.9
177.57735	0.5
179.14360	1.6
187.14813	7.6
189.16309	0.9
191.14360	0.6
201.16364	3.5
203.17920	0.5
205.15973	0.6
215.17963	1.4
217.19458	0.7
233.22661	1.4
238.50739	0.6
243.21101	29.4
261.22153	100.0
262.22623	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.2
53.03946	1.4
55.05490	0.3
56.05031	0.2
56.96559	0.6
58.51157	0.2
67.05476	0.3
70.06587	0.8
71.04972	1.0
77.03928	0.5
79.05481	0.3
81.03404	0.2
81.04544	0.2
81.07059	0.3
82.06615	0.3
84.04507	0.7
84.08148	1.6
85.02884	0.2
86.09705	1.6
87.96081	0.3
88.03997	0.4
91.04904	0.4
91.05482	7.4
93.07046	11.2
95.04967	1.8
95.06057	0.3
98.97601	0.4
99.05578	0.4
102.05544	0.3
103.05470	7.5
105.04517	0.8
109.02885	0.9
111.05631	0.3
112.03979	2.0
115.05045	0.4
121.06506	100.0
122.06843	0.7
123.04458	0.3
128.07094	0.3
129.10228	0.7
130.05014	0.5
130.06534	2.8
130.08661	0.3
132.04453	0.4
132.34711	0.2
134.05957	0.4
139.03893	0.8
140.03430	10.8
146.06041	1.2
147.07574	0.3
147.11308	0.3
153.01826	1.4
157.07599	1.0
158.06015	0.5
179.03522	0.3
224.09204	0.8
224.91719	0.2
242.09219	1.6
242.15869	0.6
260.05161	0.5
260.09286	0.5
260.16882	0.9
260.19672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46653	0.9
54.03476	1.2
55.01856	1.0
56.05027	1.7
60.04528	2.3
68.92951	1.1
69.07083	1.4
70.02953	3.2
70.06599	2.4
71.04996	28.5
71.49496	1.1
71.49897	1.8
73.04042	6.8
76.54014	1.0
80.19469	1.1
81.07077	2.5
83.06084	1.5
84.08151	5.9
85.04012	2.8
85.06549	4.9
86.09702	4.4
88.03999	10.7
91.05491	1.7
92.08318	1.0
93.07037	1.5
95.08611	1.2
99.05582	26.0
102.05540	18.6
103.05424	1.4
105.07005	1.1
106.06551	4.3
111.05578	4.5
115.05060	29.9
118.06565	2.1
120.08104	4.5
121.06610	1.3
127.05050	12.8
128.04980	2.6
129.10254	2.5
130.06532	100.0
131.04948	1.4
131.06920	1.6
132.04454	8.0
134.04482	1.6
134.06017	20.7
139.05038	2.4
142.05130	1.1
142.06468	1.3
145.06508	1.3
146.06018	52.0
147.11279	2.6
148.06053	10.8
153.01857	2.6
155.06029	1.7
157.07617	39.4
158.06038	27.0
158.08331	1.6
159.04366	1.8
160.07594	1.2
169.07605	2.5
170.05995	3.9
171.09193	1.4
175.08704	8.0
181.07661	1.3
185.07117	5.4
187.03928	1.6
187.08699	4.6
188.06972	2.2
188.22281	1.1
200.09190	2.3
204.13899	1.9
205.04999	1.8
214.09407	5.5
215.03542	1.5
225.06787	1.1
228.08675	1.3
232.07112	1.7
232.11000	1.2
233.04529	1.4
242.09256	99.4
243.03011	1.5
243.09608	2.0
256.15179	1.3
260.06247	4.2
260.10349	29.8
260.19672	1.9
261.03964	1.9
261.13120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03938	1.0
55.01883	0.6
55.05271	0.7
55.05514	8.4
57.03424	1.8
57.07085	2.6
65.03949	0.9
67.05508	19.9
69.07072	7.7
69.14887	0.4
69.82770	2.5
69.83138	0.9
71.04977	1.9
71.08605	0.7
75.24450	0.5
79.05497	16.2
81.06587	0.8
81.07062	16.4
83.04984	1.1
83.08626	3.8
85.06527	1.7
91.05489	35.6
93.07049	17.5
95.04958	1.8
95.08614	11.9
97.06566	2.5
97.10164	0.8
99.08088	1.1
103.05473	1.2
105.04519	0.8
105.07037	53.2
107.05001	0.6
107.08604	10.3
109.06497	0.8
109.10152	4.5
111.08094	1.2
113.09635	0.7
115.05461	1.3
117.06230	0.9
117.07025	13.9
119.08588	38.8
121.06506	0.9
121.10147	6.8
123.08059	0.6
123.11732	1.2
125.09652	0.8
125.90879	0.4
128.06195	2.5
129.07013	7.2
130.07806	1.1
131.08582	16.5
132.09375	0.9
133.06563	0.6
133.10139	29.2
135.08089	1.3
135.11693	4.3
136.71291	0.5
137.09592	0.7
141.07008	0.5
142.07785	1.4
143.08583	8.7
144.09326	0.6
145.06400	0.5
145.09055	0.9
145.10138	14.2
147.08000	1.4
147.11699	23.4
149.09628	1.5
149.13257	3.2
151.11188	0.7
156.09302	0.5
157.10147	8.0
159.11702	13.7
159.46490	0.5
161.09607	1.4
161.13264	16.3
163.11171	1.1
163.14883	0.8
165.12630	0.5
169.09967	0.6
171.11691	8.5
173.13283	7.4
175.11201	1.9
175.14824	9.6
177.12772	1.2
183.11775	0.6
185.13258	8.4
187.14854	2.3
189.12646	0.7
189.16426	0.5
191.14302	0.7
199.14824	4.6
201.16389	0.6
203.14333	1.0
213.05521	0.9
213.16377	2.6
215.18001	1.7
217.15901	0.9
231.17316	0.7
231.21091	2.5
241.19522	18.1
250.11908	0.5
259.06039	1.0
259.20587	100.0
260.20956	0.9
260.25845	1.3
281.00412	0.5
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	Unknow
Peak:m/z	Relative Intensity
50.82562	0.6
53.03936	1.3
55.01870	2.0
55.05519	8.6
57.03429	1.8
57.07071	2.5
65.03920	1.2
67.05510	18.8
69.07071	8.5
70.06573	1.0
71.04983	3.0
71.08605	0.7
71.52000	0.8
79.05064	1.2
79.05497	16.7
81.03415	0.9
81.07062	19.0
83.04959	1.6
83.08615	3.1
85.06538	1.4
91.05487	35.5
93.07050	18.5
95.04950	1.4
95.08615	12.2
97.06536	2.3
97.10188	1.4
99.08093	1.5
103.05453	2.0
105.07037	50.6
106.07305	0.7
107.08601	10.3
109.06496	1.3
109.10166	4.5
111.08044	1.5
113.70605	0.7
115.05441	2.3
117.07031	12.1
119.08588	38.0
121.06489	1.2
121.10149	5.4
123.08070	1.0
123.11703	1.4
128.06244	1.6
129.07025	7.8
130.07770	0.9
131.08583	15.6
133.06476	1.1
133.10138	31.4
135.08038	2.1
135.11674	3.6
137.09570	0.9
142.07788	1.8
143.08566	9.5
144.75371	0.9
145.06569	0.8
145.10147	15.5
146.07455	0.7
147.08060	2.2
147.11697	24.8
149.09666	1.5
149.13278	3.7
151.11143	1.1
155.08601	0.9
157.10144	8.9
159.11702	12.6
161.09615	2.3
161.13272	16.1
163.11194	1.3
163.14874	1.4
171.11713	10.3
173.13245	7.9
175.11142	2.2
175.14847	8.9
177.12697	1.1
185.13300	10.0
187.14861	1.3
189.12820	1.1
199.14815	3.8
201.16373	1.4
210.93839	0.7
213.05479	2.9
213.16364	1.4
215.18027	1.1
217.16061	0.9
231.06592	1.3
231.21066	3.0
241.11931	1.9
241.19542	18.7
242.08168	1.8
242.11266	0.7
259.06058	3.5
259.09778	1.9
259.13211	1.6
259.20590	100.0
260.20892	2.1
260.25858	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
54.64888	0.8
55.01859	1.3
55.05268	1.1
55.05513	10.8
57.03432	1.5
57.07068	4.3
62.06069	1.6
65.03948	1.4
67.05180	1.5
67.05511	22.7
69.07072	7.7
71.04971	1.6
71.08609	1.2
71.51273	1.5
79.05503	17.3
79.12122	0.8
81.07062	19.6
83.04971	1.5
83.08619	2.4
85.06544	1.5
91.05489	42.7
93.07053	20.1
95.04980	1.7
95.08612	15.5
97.06504	1.2
97.10165	1.5
99.08096	2.2
101.32309	1.0
103.05468	1.5
105.07040	58.8
107.08602	10.1
109.06532	1.2
109.10165	5.8
113.01219	1.0
113.09682	1.3
115.05418	1.4
117.07025	17.4
119.08589	46.9
121.06497	1.8
121.10165	6.9
123.11720	1.3
128.06238	2.0
129.07013	8.7
130.07774	1.0
131.08578	20.6
133.09126	1.9
133.10138	36.5
135.08061	1.8
135.11687	4.1
140.60796	0.9
142.07709	1.2
143.08578	9.8
145.10146	17.4
147.08037	1.1
147.11702	29.0
149.09702	1.8
149.13258	3.6
157.10144	7.5
159.11714	16.6
161.13269	15.9
163.11154	1.4
163.14778	1.2
171.11749	8.8
173.13327	8.6
175.14870	8.1
182.50891	0.9
185.13283	8.2
187.14883	2.0
199.14822	6.8
201.16461	1.0
203.14244	1.3
211.24376	0.9
213.05475	4.2
213.16489	1.5
215.17834	1.3
217.15816	1.2
222.34229	0.9
231.21135	3.0
241.19507	17.1
242.08189	1.5
259.06039	4.1
259.09564	1.9
259.20596	100.0
259.28247	17.3
260.20947	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03936	1.5
55.05514	11.1
55.24682	0.8
57.03429	1.8
57.07064	3.0
59.06569	0.8
65.03930	0.9
67.05510	18.7
69.07070	8.9
69.87497	2.6
71.05005	1.6
79.05077	1.1
79.05497	17.1
81.07063	16.9
83.05001	1.3
83.08629	4.8
83.80921	0.7
85.06533	1.7
91.05486	39.0
92.56369	0.8
93.06485	1.1
93.07050	17.0
95.04955	1.7
95.08618	13.4
97.06511	3.0
97.10185	1.8
99.08090	1.5
101.26157	0.8
103.05471	1.4
105.03400	2.6
105.07038	70.6
107.04986	0.9
107.08597	9.8
109.10137	5.4
111.08073	1.5
115.05431	2.1
117.07025	32.0
119.08586	44.1
121.06470	1.4
121.10145	9.5
123.11724	1.1
128.06252	3.6
129.01884	0.9
129.07010	20.0
130.07773	2.2
131.08574	38.2
133.10141	36.6
135.08098	1.4
135.11719	4.7
137.13280	0.8
142.07771	2.8
143.08571	21.0
145.10133	32.3
147.08000	1.0
147.11697	29.4
149.09602	2.2
149.13245	3.4
151.11194	1.0
156.09317	1.2
157.10147	13.9
159.11705	44.7
161.09592	1.2
161.13275	21.8
163.11154	1.4
170.10883	0.9
171.11690	18.7
173.13275	31.9
175.14838	8.8
177.12801	0.9
185.13274	22.4
187.14848	2.9
189.12779	1.3
189.16257	0.8
199.14822	14.7
213.16386	3.4
215.17950	2.3
228.73558	0.8
229.77267	0.8
231.17555	0.8
231.21094	2.6
241.19519	27.3
259.20593	100.0
260.20892	1.0
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	Bactacine
Peak:m/z	Relative Intensity
53.03931	2.3
55.05511	3.3
57.07074	3.9
61.11281	1.1
65.14812	1.1
67.05514	8.6
69.07076	8.4
71.04978	3.7
71.51318	1.3
79.05474	5.2
79.16656	1.1
81.03404	1.1
81.06592	1.8
81.07063	29.6
83.08633	1.8
85.06543	2.4
91.05482	9.5
93.07045	9.5
95.04968	2.4
95.08610	14.2
97.06519	1.2
105.03390	8.8
105.07043	11.2
107.08617	7.3
109.06513	3.6
109.10152	7.3
111.11807	1.2
117.07025	4.4
119.08597	11.5
121.10153	6.0
123.08058	3.2
123.11716	57.4
129.01834	4.6
129.07018	1.7
131.08559	6.1
133.10132	7.8
135.08054	8.4
135.11720	2.6
137.09639	7.6
139.11145	1.6
143.08557	3.8
145.10123	10.5
147.11664	6.6
149.09624	3.3
157.10118	3.6
159.11748	6.3
161.09659	1.5
161.13254	5.2
165.12691	1.6
170.10887	1.2
171.11705	3.9
173.13257	3.9
175.11253	1.9
175.14780	3.0
181.06436	1.8
185.13231	4.7
189.12808	2.9
189.16237	1.2
190.13570	1.2
199.14938	2.0
201.16351	5.5
203.14355	2.8
215.17982	2.2
232.20308	1.2
241.19556	5.8
259.11426	1.9
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	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03933	1.8
55.05507	9.9
57.07069	3.5
65.06873	1.7
67.05516	9.4
69.07079	33.8
70.72233	1.5
71.05000	21.5
79.05499	10.7
81.07064	21.5
83.04974	4.1
83.08617	7.9
85.06544	21.4
91.05490	12.5
93.07056	18.7
95.04940	5.3
95.08614	17.2
97.06512	5.9
99.08096	2.1
105.03401	8.2
105.07043	33.0
107.08598	19.7
109.06503	7.4
109.10162	13.9
111.08105	7.8
117.07017	7.6
119.08589	51.7
121.10149	12.0
123.08056	2.0
123.11720	22.0
128.06230	2.8
128.78676	1.6
129.01805	3.9
129.07007	4.8
131.08580	14.4
133.10146	32.6
135.08084	12.5
135.11671	5.5
137.09639	3.7
142.07796	2.0
143.08553	6.8
144.09326	2.6
145.10133	24.4
147.11693	22.1
149.09612	4.8
153.06958	2.0
155.08499	2.0
156.09312	2.5
157.10124	12.6
159.11710	29.5
160.12480	4.1
160.84015	1.7
161.09608	1.8
161.13269	32.3
163.11192	3.8
170.10931	3.2
171.11739	12.5
173.13269	7.5
175.11168	4.4
175.14839	72.2
176.15482	2.6
177.12735	4.5
177.16304	4.8
178.34053	1.9
185.13284	14.7
187.14856	2.0
189.12727	4.5
189.16396	5.8
190.13614	2.1
199.14832	6.1
201.16411	25.9
203.14308	7.4
215.17984	4.6
217.15831	2.2
217.19472	4.6
229.10149	2.9
241.19472	15.3
242.20035	2.0
244.12335	3.3
257.16937	1.7
259.11292	2.2
259.14929	5.0
259.20587	100.0
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	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03947	2.1
54.64888	0.8
55.01859	1.3
55.05268	1.1
55.05513	10.8
57.03432	1.5
57.07068	4.3
62.06069	1.6
65.03948	1.4
67.05180	1.5
67.05511	22.7
69.07072	7.7
71.04971	1.6
71.08609	1.2
71.51273	1.5
79.05503	17.3
79.12122	0.8
81.07062	19.6
83.04971	1.5
83.08619	2.4
85.06544	1.5
91.05489	42.7
93.07053	20.1
95.04980	1.7
95.08612	15.5
97.06504	1.2
97.10165	1.5
99.08096	2.2
101.32309	1.0
103.05468	1.5
105.07040	58.8
107.08602	10.1
109.06532	1.2
109.10165	5.8
113.01219	1.0
113.09682	1.3
115.05418	1.4
117.07025	17.4
119.08589	46.9
121.06497	1.8
121.10165	6.9
123.11720	1.3
128.06238	2.0
129.07013	8.7
130.07774	1.0
131.08578	20.6
133.09126	1.9
133.10138	36.5
135.08061	1.8
135.11687	4.1
140.60796	0.9
142.07709	1.2
143.08578	9.8
145.10146	17.4
147.08037	1.1
147.11702	29.0
149.09702	1.8
149.13258	3.6
157.10144	7.5
159.11714	16.6
161.13269	15.9
163.11154	1.4
163.14778	1.2
171.11749	8.8
173.13327	8.6
175.14870	8.1
182.50891	0.9
185.13283	8.2
187.14883	2.0
199.14822	6.8
201.16461	1.0
203.14244	1.3
211.24376	0.9
213.05475	4.2
213.16489	1.5
215.17834	1.3
217.15816	1.2
222.34229	0.9
231.21135	3.0
241.19507	17.1
242.08189	1.5
259.06039	4.1
259.09564	1.9
259.20596	100.0
259.28247	17.3
260.20947	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.02363	0.5
53.03935	1.6
55.01863	0.8
55.05274	0.7
55.05516	9.9
57.03438	2.2
57.07085	2.3
65.03925	1.0
67.05511	20.5
69.06738	0.5
69.07076	7.7
70.26203	1.3
71.04976	1.9
71.08612	0.5
77.03910	0.6
79.05495	16.8
81.07061	19.1
82.56591	0.4
83.04957	1.4
83.08604	2.7
85.06557	2.2
91.05486	43.7
93.07046	18.2
93.07639	0.7
95.04956	1.5
95.08611	13.3
97.06526	1.7
97.10157	1.0
98.21403	0.6
99.08081	1.5
103.05453	1.3
105.07036	55.1
106.07361	0.5
107.04945	0.8
107.08601	10.4
109.06548	0.9
109.10171	4.1
111.08123	1.1
114.37485	0.5
115.05480	1.1
116.06237	0.6
117.07021	14.8
117.07854	0.7
119.08586	39.3
121.06527	1.0
121.10156	6.6
123.08057	0.7
123.11697	1.3
128.06223	2.2
129.07010	9.1
130.07793	1.1
131.07593	1.0
131.08575	19.4
132.09377	0.5
133.06561	0.6
133.10138	33.9
135.08064	1.0
135.11687	4.3
137.09628	0.8
141.06941	0.5
142.07777	1.3
143.08578	8.8
144.09360	0.8
145.10132	17.0
147.08067	1.5
147.11694	27.4
149.09607	2.0
149.13266	3.0
151.11214	0.6
156.09361	0.8
157.10132	8.5
159.11700	14.5
161.09618	1.2
161.13269	19.3
163.11160	1.1
163.14799	0.9
169.10152	0.5
170.10992	0.8
171.11699	10.1
173.13277	7.7
175.11183	1.6
175.14827	9.7
177.12759	1.4
185.13266	10.7
187.14795	2.4
189.12744	1.6
191.14200	0.6
197.13217	0.5
199.14844	5.2
201.16313	1.0
203.14342	1.2
213.05443	0.8
213.16377	2.0
215.17921	1.9
217.15938	0.6
217.19449	0.9
228.26472	0.5
229.40623	0.5
231.17508	1.0
231.21072	2.9
241.19525	20.7
242.07912	0.5
259.20587	100.0
260.20877	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94306	9.8
55.05505	34.2
57.07037	15.7
62.18649	9.7
67.05489	35.7
68.99796	14.2
69.03428	16.6
69.07045	35.8
69.87682	59.4
70.04070	16.3
70.06590	16.7
77.64616	13.2
79.05502	66.5
81.07051	78.3
83.04971	18.6
83.08588	14.8
91.05487	56.7
93.07037	68.7
93.48180	10.4
95.04967	14.8
95.08603	78.8
97.06544	11.3
98.20860	16.9
105.07010	82.4
107.04940	27.5
107.08569	78.6
109.06528	24.9
109.10158	30.9
117.07010	27.2
119.08591	78.9
121.06558	17.6
121.10153	93.3
125.09636	15.0
129.06963	21.9
131.08571	41.5
133.06500	14.3
133.10147	53.9
135.08083	19.5
135.11679	63.1
137.05997	15.7
143.08528	27.8
145.06485	13.8
145.10106	42.1
147.11673	45.7
149.02357	11.2
149.09607	49.3
149.13156	17.6
151.07500	19.7
155.08528	14.0
157.06494	14.5
157.10152	17.6
159.11670	28.1
161.13269	19.6
163.11150	42.0
163.14767	11.0
171.07954	11.8
171.11653	17.9
173.09602	21.3
179.08362	11.3
185.06009	13.5
191.10699	100.0
194.17697	10.0
195.13628	12.1
199.11130	12.1
203.10577	16.0
213.05498	42.0
216.86876	11.4
227.12799	14.6
241.04898	20.5
241.15718	12.4
241.19669	12.8
242.08168	21.2
259.05997	93.3
259.09698	35.2
259.13095	21.3
259.16937	42.4
259.20605	42.4
259.24265	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
57.51808	0.2
65.03932	1.5
66.23042	0.1
67.05476	0.2
70.06580	0.7
71.50970	0.3
81.07042	0.3
86.09694	0.2
86.16348	0.1
91.05492	0.4
93.07064	0.8
95.04991	0.2
103.05483	0.5
104.10744	0.2
111.04428	0.8
115.59742	0.1
121.02873	100.0
121.06499	10.8
122.03210	0.4
136.58842	0.1
182.08116	0.3
191.86819	0.2
226.68352	0.1
234.99078	0.5
241.08595	6.3
248.05528	0.3
258.11340	0.8
258.13654	0.2
258.18234	0.2
271.36389	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	258.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69524	0.2
55.05507	0.3
57.07079	13.3
58.06616	1.8
58.94772	0.2
62.06092	7.8
63.78234	0.2
67.05488	0.4
70.02493	1.0
71.08244	0.3
71.08636	5.7
72.08161	1.6
81.07061	0.2
83.08599	0.3
85.10192	2.8
90.09195	0.9
98.21461	0.4
100.85004	0.3
105.07083	0.3
121.06516	0.4
131.08546	0.3
145.10088	0.4
146.10423	0.5
240.18471	0.2
240.26874	5.3
258.27933	100.0
259.28403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08770	14.2
70.06577	31.5
71.19949	27.7
72.11749	14.8
74.02457	67.8
74.48320	13.0
76.86028	14.2
81.04555	13.2
83.06151	14.3
84.04507	57.7
84.08132	26.0
95.06082	18.5
96.04489	20.3
97.02905	15.6
98.16297	13.5
105.11079	13.9
110.07155	25.5
111.05556	62.6
116.07086	20.0
122.09770	12.5
127.05031	36.8
130.05016	30.6
130.08670	21.5
138.09174	14.4
138.87454	13.5
197.14070	26.3
213.14253	48.4
227.11183	13.7
241.12999	18.5
259.02164	32.4
259.06232	17.0
259.12537	100.0
259.14920	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	259.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.1
56.05030	4.0
56.96555	1.4
67.05486	2.1
70.06585	1.3
70.32942	2.9
74.02442	97.1
81.04547	4.2
82.06547	1.1
84.04505	100.0
84.08132	3.0
85.02911	2.4
86.09682	1.0
95.04955	2.6
95.06095	2.8
97.03990	1.9
98.97587	2.2
102.05538	2.7
110.06041	0.8
113.06026	4.9
116.98730	1.0
121.06521	1.8
125.07124	3.4
130.05005	45.5
130.08644	44.9
134.51389	1.0
143.08194	2.8
149.02385	1.4
150.09146	20.0
153.01833	2.8
162.37564	0.9
169.08597	3.0
185.05846	1.1
196.09683	16.5
197.03091	0.9
199.22214	0.8
213.05350	1.6
219.06107	0.9
240.11142	0.9
241.12003	1.9
241.15486	1.5
242.10263	7.3
259.05951	2.7
259.12915	36.1
259.16513	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	257.1901
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
50.79554	1.4
51.02839	1.4
53.61168	1.4
55.05510	4.2
57.07073	5.0
60.38235	1.7
67.05508	8.1
69.07066	5.5
70.06601	1.9
70.84473	1.4
70.95264	1.7
70.95580	2.3
71.04998	3.3
71.08627	2.1
72.08149	3.9
79.05502	8.4
81.07049	7.2
83.04975	1.4
83.08620	2.0
85.06551	4.3
88.07621	4.9
90.09181	3.6
91.05474	8.0
93.07048	12.4
95.04984	3.5
95.08604	10.9
97.06552	1.7
102.09181	2.0
105.07040	23.0
107.08597	11.1
109.06519	4.8
109.10139	9.3
111.08081	2.2
113.09648	1.7
117.07039	6.1
119.08586	19.8
121.06531	1.6
121.10150	60.1
121.11017	3.0
123.08068	4.3
123.11806	1.5
126.90591	1.3
128.06245	2.0
129.07011	5.0
131.08565	15.3
133.10182	9.4
135.08046	15.2
135.11662	2.1
137.09656	5.3
141.06982	2.2
142.07796	5.8
143.08554	16.8
144.09344	2.5
145.10117	21.9
147.11685	2.5
149.09647	4.2
155.08591	5.6
156.09383	4.1
157.10158	25.1
158.10947	2.9
159.11684	22.3
161.09610	3.1
161.13240	2.5
163.11201	4.5
167.08464	1.5
168.09401	2.3
169.10191	9.8
170.10846	1.8
171.11699	12.8
173.09703	2.5
173.13271	24.9
174.14064	2.2
175.11195	2.7
175.14893	4.3
177.12798	2.1
183.11662	15.4
184.12488	3.1
185.13258	3.8
187.11160	5.0
187.14868	4.5
189.12738	3.6
195.11649	2.5
197.13255	8.6
198.14073	2.3
199.14847	30.9
201.11153	1.6
201.12691	10.1
211.14818	1.7
213.16364	11.7
214.17250	2.7
215.14343	2.0
215.17967	8.7
229.15985	2.2
239.17967	13.0
257.08276	2.8
257.11719	3.0
257.19031	100.0
257.26675	29.7
258.27936	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03934	1.5
55.01885	0.9
55.05510	11.5
55.37794	0.8
57.03421	1.2
57.07065	1.6
58.75203	0.7
67.05506	24.0
69.07069	4.2
69.27818	5.2
69.28224	1.7
71.04987	1.1
72.39369	0.9
79.05495	7.9
81.07056	11.8
81.86407	0.8
83.04946	1.7
83.08609	3.3
85.06540	1.2
87.82153	0.8
91.05487	15.1
93.07043	7.1
95.08611	8.9
97.06522	1.6
97.10172	1.0
98.21503	2.1
103.05451	1.3
105.07024	13.3
107.08563	4.6
109.06528	1.4
109.10155	5.5
115.05423	2.7
116.06256	1.7
117.07018	20.4
119.08587	7.6
121.06471	1.4
121.10129	2.7
128.06215	5.3
128.50700	0.8
129.07013	12.8
130.07776	5.2
131.08569	43.8
133.06500	1.9
133.10118	5.9
135.08040	1.4
135.11690	0.9
137.09557	1.0
141.07022	5.3
142.07790	2.8
143.08566	22.1
144.09296	1.8
145.06491	2.4
145.10127	100.0
146.10524	1.7
147.08041	2.0
147.11659	5.9
149.09674	1.8
154.07790	2.2
155.08562	7.3
156.09370	1.4
157.10135	13.7
159.08037	1.8
159.10466	1.5
159.11703	18.7
161.09602	2.1
161.13222	2.7
163.11171	1.4
168.09358	1.8
169.10133	12.1
170.10793	0.9
171.10278	1.4
171.11700	21.7
173.13278	10.4
175.11137	2.9
182.10880	1.5
183.11685	14.3
185.13225	5.1
187.11140	4.2
187.14815	1.7
189.12779	1.6
197.13275	11.5
199.14793	2.1
201.12804	2.3
201.16341	1.2
211.14821	3.2
213.16431	3.5
215.14288	2.0
215.17900	2.3
229.16006	1.0
229.19502	9.6
239.17949	19.4
240.18225	1.1
257.08173	1.3
257.19009	72.3
257.30270	2.3
258.19458	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
54.19584	1.7
55.01876	4.9
55.05516	26.7
57.03440	54.6
57.07065	3.4
67.05508	81.0
69.03425	4.0
69.07069	24.0
69.99177	8.0
71.01360	5.2
71.04974	6.1
79.05497	83.1
81.03422	11.0
81.07061	37.7
83.04974	26.7
83.08624	7.6
85.02903	2.6
85.06549	6.5
91.05483	34.4
93.07046	86.6
95.04956	9.7
95.08609	15.0
97.06534	22.7
97.10159	12.3
98.98470	19.2
99.08121	3.1
99.14133	1.9
102.96481	1.9
105.07039	6.6
107.04951	3.7
107.08601	50.4
109.10149	9.8
111.08091	6.1
116.78246	2.0
117.07003	9.7
119.08558	10.9
121.06493	4.3
121.10138	10.4
125.09652	3.6
133.10153	5.9
135.08119	2.3
135.11694	100.0
145.10114	18.2
153.12730	4.9
163.11224	14.6
181.12227	15.4
255.15866	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	257.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
57.03440	7.2
75.04469	3.3
79.05497	4.6
87.55029	0.8
90.05068	1.0
90.05701	0.9
91.05483	2.4
94.04218	1.3
95.04978	1.7
103.05445	3.3
105.07036	31.9
107.04954	4.3
109.06506	2.0
113.03494	1.1
115.05413	1.9
117.06978	1.3
122.03642	4.6
132.05685	1.1
133.05476	1.9
133.06499	52.7
137.05981	100.0
138.06291	1.1
150.06805	1.2
153.01848	1.2
163.07558	4.5
165.09123	25.5
175.07581	4.6
175.11118	1.2
177.09184	1.0
183.06566	2.0
183.10172	4.5
203.10666	1.6
209.11671	1.0
221.11705	1.9
240.59654	1.0
257.04156	1.3
257.08047	1.3
257.12708	1.2
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
55.01867	3.1
55.05518	8.8
57.03432	3.0
57.07077	3.6
62.94660	1.3
65.03945	1.7
67.05507	22.6
67.99903	1.5
68.82284	1.3
69.07069	7.0
69.63209	1.5
71.04990	2.5
79.05495	11.2
81.07068	17.3
83.05004	2.9
83.08614	4.1
83.90818	1.2
85.06538	2.7
91.05482	21.9
93.07036	7.8
94.24458	1.3
95.04943	1.8
95.08607	13.9
97.06531	4.0
97.10146	1.5
98.21608	2.9
103.05510	1.8
105.07037	20.5
107.04939	1.3
107.08604	5.3
109.10164	3.8
115.05470	4.7
116.06239	2.6
117.07024	38.3
119.08583	11.1
121.10168	5.0
128.06227	6.7
129.07010	25.9
130.07791	7.6
131.08577	82.6
133.06529	2.6
133.10129	10.0
135.08003	1.7
135.11737	2.3
141.06979	7.9
142.07779	5.7
143.08571	22.7
143.58054	1.4
144.09348	1.5
144.73643	1.4
145.06470	2.6
145.10133	100.0
147.08070	3.3
147.11707	6.9
149.09586	2.5
154.07755	1.9
155.08557	15.4
157.10141	28.4
159.08047	3.5
159.11705	46.5
161.09637	4.1
161.13315	2.4
163.11232	2.3
164.61609	1.5
168.09381	3.0
169.10129	19.5
171.11705	32.6
173.09636	1.8
173.13284	32.0
175.11176	6.4
181.10136	1.6
183.11708	20.8
185.13234	6.6
187.11212	4.9
187.14836	4.0
187.34995	1.5
191.46825	1.6
197.13266	22.9
199.14821	4.0
201.12749	4.0
210.14142	1.7
211.14832	5.4
213.16437	8.8
215.14429	2.5
215.18002	1.9
229.19528	4.3
239.17963	37.1
255.35309	1.4
256.33139	1.3
257.07941	1.4
257.19034	98.8
257.26135	2.4
258.19421	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	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36230	1.3
53.03945	5.1
55.01859	1.7
55.05515	26.0
57.03441	50.6
57.07072	8.4
62.90600	1.5
65.03930	1.8
67.05508	81.8
69.03425	2.2
69.07076	20.5
69.54559	9.2
71.01340	3.7
71.04998	7.6
79.05499	72.4
81.03425	12.5
81.07064	36.7
83.04982	25.8
83.08625	8.3
83.55730	1.5
85.06546	7.2
90.10854	1.5
91.05485	34.8
93.07049	86.8
94.07411	1.6
95.04980	8.9
95.08614	10.9
97.06537	20.9
97.10178	13.4
98.97587	2.9
98.98474	40.6
99.04472	2.0
99.08112	3.1
104.02724	1.7
105.07043	8.7
105.77276	1.7
107.04942	3.4
107.08603	47.6
109.06516	2.3
109.10165	10.0
111.08094	2.9
116.98608	2.1
117.07018	9.9
119.08581	13.5
121.06524	3.7
121.10159	13.1
125.09643	5.2
133.10143	5.2
135.08052	2.3
135.11700	100.0
137.09648	4.5
145.10156	14.3
153.12727	1.8
163.11188	11.5
176.99129	1.8
181.08600	2.0
181.12224	13.2
199.09665	3.1
237.14886	1.9
255.06274	2.2
255.15906	47.5
255.25146	1.8
256.26505	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	255.1593
Annotation	Russulanorol
Peak:m/z	Relative Intensity
51.03286	2.0
52.14914	2.2
53.03942	6.8
55.01879	2.5
55.05513	28.5
57.03444	47.6
57.07079	4.6
57.15871	1.9
58.92197	2.0
62.70027	2.2
65.03937	2.7
67.05511	81.3
67.09012	2.0
69.03449	2.8
69.07069	30.2
69.31158	18.9
71.01360	4.1
71.04993	6.3
77.03915	2.3
79.05499	78.8
81.03410	10.5
81.07064	41.0
83.04992	25.5
83.08629	6.9
85.02941	2.3
85.06544	5.3
91.05494	31.5
93.07051	78.2
95.04984	8.5
95.08629	13.2
97.06557	22.4
97.10159	14.6
98.20757	3.3
98.98483	27.8
99.08089	3.9
99.88679	2.0
105.04556	3.7
105.07033	8.4
107.08598	53.0
109.10177	10.9
111.08067	3.3
117.07027	6.2
119.08603	11.5
121.06509	4.4
121.10146	12.4
125.09604	4.2
127.11057	2.0
127.59902	2.2
133.10155	7.9
135.08067	2.5
135.11699	100.0
137.04414	2.2
137.09641	3.7
145.10127	17.5
153.12805	3.1
163.11183	13.2
181.12253	13.7
255.15881	53.8
260.71368	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
52.85835	1.7
53.03946	5.4
55.01873	4.4
55.05516	25.8
57.03159	2.4
57.03442	50.7
57.07065	5.7
67.05508	80.2
69.03416	3.9
69.07071	26.2
69.32378	1.6
70.23512	4.6
70.23904	3.5
70.34935	1.8
71.01350	7.8
71.04983	8.2
79.05499	84.2
81.03432	9.9
81.07063	41.0
83.04988	22.4
83.08622	6.6
84.30916	1.7
85.06535	5.4
86.08808	2.2
91.05482	37.9
93.07050	87.3
93.07645	4.3
95.04975	6.2
95.08628	13.9
96.38446	1.8
97.06544	21.9
97.10181	17.4
98.20789	1.8
98.98473	22.8
99.04415	2.1
99.08092	4.8
100.07633	2.1
105.04504	2.9
105.07028	8.1
106.19908	2.1
107.04965	4.9
107.08601	55.4
109.06501	2.7
109.10156	8.2
111.08093	3.1
117.07024	7.8
119.08585	8.9
121.06493	2.3
121.10157	7.9
125.09650	2.9
133.10138	4.1
135.08040	2.7
135.11696	100.0
137.09581	5.4
145.10117	18.3
153.12727	3.5
159.56528	2.1
163.11188	14.5
181.12244	15.0
244.98914	1.9
255.15881	50.5
255.25148	8.8
256.26526	4.2
259.85928	2.3
263.40094	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	255.159
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03943	6.4
54.51925	2.7
55.01870	2.9
55.05512	30.8
57.03440	47.8
57.07064	6.2
65.03944	3.0
67.05509	85.1
69.07084	20.9
71.01353	6.6
71.04984	8.9
71.43231	5.5
74.72934	2.4
79.05496	77.9
81.03413	8.7
81.07056	42.4
83.04990	34.0
83.08617	8.8
85.06534	6.6
91.05481	32.9
93.06484	5.7
93.07052	92.0
94.39751	2.8
95.04968	11.4
95.08617	9.9
97.06537	24.5
97.10164	17.4
98.98479	37.1
105.07055	5.9
107.08595	54.1
109.10174	12.3
111.08086	3.4
111.45662	2.9
116.16869	2.5
117.07031	6.3
119.08598	10.6
121.10170	11.8
125.09640	7.0
133.10152	5.1
135.10698	5.3
135.11703	100.0
145.10124	18.7
163.11206	12.9
165.64392	2.7
181.12236	15.6
255.15897	57.9
256.26291	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	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21481	1.7
53.03944	6.2
55.05515	26.2
57.03445	47.3
57.07070	3.4
64.35790	1.8
65.03952	1.7
67.05510	92.7
69.03439	3.3
69.07077	22.2
69.16534	1.8
70.06574	2.0
70.56078	6.0
71.01347	3.6
71.05003	5.4
79.05498	77.2
81.03432	11.6
81.06591	2.8
81.07063	43.8
83.04987	24.8
83.08633	4.9
85.06547	5.9
88.07632	2.7
91.05485	37.9
93.07051	86.6
93.07646	4.3
95.04978	8.6
95.08611	9.5
95.71402	1.9
97.06539	27.7
97.10170	16.8
98.72401	2.0
98.98473	32.5
99.08105	3.7
102.09168	2.3
105.04475	3.4
105.07068	11.1
107.08601	66.7
109.10159	10.9
111.08083	4.8
112.47775	1.8
113.43181	1.8
117.07006	10.4
119.08592	13.2
121.06491	3.5
121.10149	13.6
125.09653	5.4
127.97836	1.8
130.07866	2.3
133.10152	7.4
135.08069	18.1
135.11708	100.0
137.09595	3.6
143.08539	2.5
145.10139	18.2
146.94762	2.0
153.12689	2.2
157.29536	2.0
163.07510	11.6
163.11185	14.8
181.12251	13.3
195.10115	2.4
255.06633	2.0
255.10291	4.9
255.13335	3.0
255.15918	51.6
256.26312	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	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	6.8
71.01353	9.8
71.04997	6.1
71.42902	5.1
75.04478	19.1
87.04469	5.1
89.02422	4.9
89.94511	2.3
92.94316	2.6
98.98466	8.3
103.03932	24.4
120.08095	5.9
121.02845	4.2
121.06488	7.8
131.03421	4.8
159.02893	55.1
159.04124	4.7
192.10283	3.2
207.32788	2.6
211.13432	3.0
219.05023	100.0
248.94586	3.2
254.13806	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	254.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.05489	0.5
70.95013	0.7
72.08165	8.1
75.79337	0.3
76.74054	0.3
77.03913	0.4
79.05500	0.6
81.06644	0.3
81.07063	1.9
91.05495	2.9
93.06486	0.6
93.07055	8.9
95.04979	0.9
97.57525	0.3
98.98481	0.7
103.05470	4.8
105.04513	0.3
116.10737	0.7
121.06513	100.0
122.06932	0.8
153.01836	0.5
192.13849	58.8
193.14157	0.7
236.16452	6.3
254.17531	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	255.0653
Annotation	Chrysin
Peak:m/z	Relative Intensity
55.05503	0.2
61.46096	0.1
67.01536	0.2
67.01868	2.6
68.99439	0.2
68.99789	1.7
69.99646	0.3
70.00039	0.2
91.05482	0.1
93.07048	0.2
98.98478	0.8
103.05468	3.1
105.03385	1.4
107.90930	0.1
110.93543	0.1
111.00764	0.3
117.06999	0.1
125.02345	0.2
129.00760	0.1
129.01849	0.2
129.03352	1.5
141.06973	0.2
142.12143	0.1
147.04407	1.3
152.06146	0.2
153.01837	8.8
153.07011	0.5
154.02188	0.1
169.06500	0.2
171.02873	0.5
171.04396	0.3
181.06560	0.3
186.06779	0.3
187.07564	0.5
209.06015	1.1
213.05470	0.4
231.06413	0.2
237.05521	0.1
237.85533	0.1
255.06526	100.0
256.06924	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1801
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
50.77119	0.5
53.03930	0.7
55.01871	1.1
55.05506	2.8
57.03421	0.8
57.07069	1.6
59.05012	0.8
65.03918	0.7
67.05512	7.2
69.03448	1.2
69.07068	4.3
69.81334	1.1
69.81751	2.0
71.04997	5.1
71.13860	0.6
71.55907	0.5
79.05487	3.7
81.03432	1.3
81.07061	7.2
83.04970	1.5
83.08604	1.3
85.06544	1.6
90.63263	0.4
91.05497	3.5
93.07047	5.2
95.04982	5.9
95.08609	6.5
97.06527	1.8
97.10200	0.8
97.11162	0.5
98.98473	100.0
99.08096	0.8
100.98903	1.1
105.07030	5.7
107.04956	0.7
107.08606	7.0
109.06513	1.0
109.10152	10.9
109.10844	0.9
111.04449	0.8
111.08103	1.3
113.05997	1.0
116.99504	1.8
117.05499	0.8
119.08574	5.0
121.06509	2.1
121.10147	5.0
123.04431	0.8
123.08067	1.1
123.11726	1.4
125.06019	0.9
125.09634	3.3
127.07552	1.0
127.11177	1.0
131.08601	1.6
133.10120	4.2
135.08076	1.1
135.11723	2.6
137.05986	10.7
137.06947	0.8
137.09651	1.1
139.07533	0.9
140.01215	0.5
141.05476	0.6
143.08652	0.7
143.32819	0.5
145.10153	2.4
147.08067	0.9
147.11717	6.4
149.09663	1.3
149.13298	0.9
151.11214	1.3
153.12756	2.2
157.10167	1.4
159.11732	1.0
161.09604	0.9
161.13194	0.7
165.07080	1.5
165.12788	1.5
166.08684	5.5
169.10109	0.6
174.99272	1.9
175.11156	0.8
175.14877	0.8
176.98927	2.2
179.10736	1.2
182.07211	0.8
189.12755	1.1
189.16364	2.8
193.06523	0.5
193.12158	0.6
193.15919	1.2
197.09787	0.6
197.11766	0.9
199.11230	0.7
207.10182	0.7
207.17500	0.7
210.06802	1.5
211.08720	1.9
217.12244	1.0
217.15855	2.8
221.05989	1.3
225.09195	1.0
235.13304	1.2
235.17009	4.2
238.06308	0.7
253.08804	2.3
253.12169	1.5
253.14078	3.4
253.18126	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77056	0.8
55.05513	6.6
58.86889	0.7
69.07061	3.9
71.05727	1.8
72.08158	5.8
73.06592	0.8
76.33234	0.7
86.09698	3.2
87.04463	1.2
91.05481	5.2
97.00644	0.7
98.98492	4.0
103.05450	2.1
105.07028	1.8
109.06514	1.1
115.05458	5.3
117.06229	1.4
117.07024	23.6
118.06522	3.4
119.04949	4.1
121.06465	1.1
123.04429	2.5
129.06987	1.5
131.04915	3.1
133.06497	1.5
137.05989	20.3
143.04956	1.6
145.06487	39.8
146.06013	5.8
147.04402	2.5
148.05173	1.9
149.06004	10.3
151.07581	1.8
157.06488	3.1
161.05991	16.9
162.06699	1.6
163.06288	2.0
163.07542	33.3
164.07072	56.8
165.37312	0.8
171.11734	1.8
175.07564	8.6
177.07837	3.5
180.10202	40.9
189.09082	1.4
192.10332	1.0
199.11197	1.4
208.11690	0.9
208.13374	7.9
217.12244	11.2
234.14911	21.8
235.13200	1.9
252.15962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1436
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
53.03943	4.8
55.01867	6.2
55.05512	9.4
59.05001	1.1
62.37605	1.3
65.03928	2.9
67.05506	16.6
69.03433	6.6
69.07072	12.2
70.46780	2.7
70.47176	4.0
71.04996	8.0
77.91515	1.2
79.05493	32.3
81.03410	2.2
81.07064	55.1
83.04984	8.6
83.08619	3.2
85.06559	8.9
86.09702	1.5
91.05482	22.9
93.07051	63.8
94.05009	1.4
95.04972	13.3
95.08609	20.7
97.06537	22.8
98.98473	100.0
99.04452	11.6
101.06022	2.1
103.05459	1.7
105.04552	1.8
105.07036	39.4
107.04940	7.7
107.08603	30.0
107.24669	1.3
109.06524	36.5
109.10168	6.0
111.04434	3.0
111.08068	4.4
113.06025	3.2
117.05525	1.9
117.07019	7.3
119.04881	2.3
119.08592	27.3
121.06516	90.8
121.10133	7.6
123.04427	3.6
123.08089	4.2
123.11749	2.3
125.05997	7.4
127.07582	11.1
127.18944	1.3
128.06227	2.7
129.07033	4.4
131.08574	7.7
133.06464	4.1
133.10139	17.2
135.04401	6.3
135.07109	2.2
135.08063	21.0
135.11708	4.1
137.06004	11.4
137.09633	2.7
139.07549	14.0
141.05470	3.0
141.07025	1.7
142.07771	6.1
143.06982	3.0
143.08577	15.6
145.06477	1.7
145.10129	10.5
147.08058	6.3
147.11702	40.1
149.13199	2.1
151.07545	3.0
155.08603	2.2
156.09370	4.1
157.06487	2.3
157.10138	20.1
161.09625	3.0
161.13252	16.2
163.11105	1.7
165.07040	1.7
165.09225	1.7
165.12772	5.3
166.07607	1.7
166.08745	2.8
171.08041	2.0
171.11700	19.7
173.09610	3.8
173.13374	1.7
175.11198	26.4
179.10730	2.1
181.10114	4.7
189.12756	31.5
193.12265	13.3
196.13184	1.7
197.11664	1.2
199.11186	30.9
207.13818	17.0
217.12247	85.5
222.53343	1.4
228.87764	1.2
235.13304	65.3
253.08652	3.1
253.11951	2.1
253.14291	20.9
253.18039	1.6
269.16400	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
57.03419	0.3
69.45463	1.3
69.45887	0.9
74.02444	2.6
79.05519	0.6
81.07057	3.3
88.04001	5.9
91.05487	10.3
93.07058	0.3
94.04069	1.3
98.95889	0.3
98.98455	0.4
100.18222	0.3
105.03406	1.1
109.05125	0.3
116.03448	1.9
117.07030	0.8
119.03561	3.1
121.06518	1.0
134.04495	7.0
136.06195	100.0
137.04587	0.9
145.06516	0.7
149.05951	0.3
161.05931	0.4
163.07639	0.7
164.07043	1.1
180.10233	0.3
234.07539	0.5
234.13478	15.8
235.13904	0.3
252.14531	54.9
253.14893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42808	0.7
54.49006	0.9
55.05519	4.1
69.07089	3.8
70.02946	0.9
71.15874	1.9
72.08167	2.0
74.02446	7.8
79.05495	1.2
81.07059	2.8
86.09710	1.0
88.03993	11.2
91.05484	27.7
94.04058	2.1
103.05487	1.3
105.03406	1.1
115.05508	3.8
116.03443	2.9
117.07024	21.2
118.06548	2.7
119.03542	2.9
119.04928	1.2
123.04433	2.2
129.07019	2.7
131.04955	3.0
134.04489	11.2
136.06195	100.0
137.05969	7.9
143.04950	2.0
145.06490	32.1
146.06020	5.4
147.04428	2.3
148.05183	1.2
149.04849	1.0
149.05992	8.2
151.07571	2.3
152.26508	0.7
155.06012	0.9
157.06471	2.2
161.05995	13.3
162.06789	1.2
163.06346	1.7
163.07552	33.2
164.07071	49.9
171.11746	1.4
175.07578	8.9
177.07889	2.4
180.08624	1.4
180.10220	28.5
189.09161	1.4
217.12230	9.8
234.13264	6.5
234.14972	13.6
252.15959	59.3
253.16386	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1392
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
53.34896	0.4
70.06618	0.7
70.72742	1.0
72.08157	57.6
73.91044	0.4
79.05482	1.1
81.04539	1.6
84.08150	1.0
89.03927	4.7
89.10796	31.7
98.06075	1.0
98.98470	23.9
107.04974	1.9
112.07535	0.5
115.08700	1.5
117.03380	11.5
117.04155	1.0
121.06538	0.5
122.07138	1.2
123.07947	0.7
135.04416	17.3
145.02853	14.9
145.04008	0.9
153.01791	0.6
162.05405	0.6
163.03909	100.0
164.09296	3.4
166.92497	0.5
174.99231	1.4
177.07742	0.6
178.08160	1.7
192.10229	1.0
206.11723	1.3
207.07925	0.5
207.12141	6.5
213.29059	0.5
223.15547	1.2
234.11261	8.7
251.10178	0.7
251.13976	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	252.0868
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
53.93871	0.5
55.05547	0.6
58.85696	0.5
61.79127	0.6
70.02947	0.7
70.81729	1.3
79.05527	1.2
81.07078	1.9
87.00826	3.3
88.67500	0.6
91.05521	0.9
93.07072	1.2
94.04065	1.0
98.98466	5.1
103.05469	8.3
103.06084	1.0
118.06553	10.2
119.03588	1.7
120.08113	100.0
121.08458	0.8
128.05003	1.9
131.04955	1.0
136.06192	72.4
137.04654	0.7
141.93520	0.7
145.06480	1.1
146.06020	17.2
161.06009	0.9
163.07562	1.2
164.07080	2.0
166.08630	2.7
172.08521	0.6
177.90807	0.6
180.10161	0.8
188.05487	1.1
188.07080	15.8
192.06551	1.2
206.08141	48.0
207.08440	0.7
234.07518	1.4
234.11478	0.8
234.13501	11.3
252.14496	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
65.03931	1.0
67.05491	1.6
69.07073	18.3
70.18060	1.8
79.05504	7.1
80.00249	0.6
81.07088	0.7
91.05490	25.8
96.24088	0.5
97.06540	31.3
98.98458	3.1
107.04983	0.6
109.06530	1.6
119.04949	16.7
119.66558	0.6
121.06516	0.9
128.06230	0.7
135.04434	1.2
136.05255	1.6
137.05989	100.0
147.04526	0.6
149.05978	0.9
158.76607	0.6
163.03915	2.0
186.79102	0.6
189.09152	0.6
209.43970	0.6
215.10811	1.4
233.11746	58.7
234.12010	0.7
250.14317	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	249.1852
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03939	6.4
55.01866	4.1
55.05519	13.4
57.03440	2.7
57.07077	2.2
65.03939	2.6
67.05508	50.5
69.07078	12.2
71.04996	4.0
72.08153	2.2
79.05498	68.7
81.07059	37.9
83.05003	3.1
83.08632	9.5
85.06542	4.1
91.05489	37.3
93.07047	88.1
95.04971	6.7
95.08606	31.6
97.06538	6.4
98.20737	3.7
99.08087	3.2
104.53561	1.6
105.04522	2.6
105.07034	17.8
107.04945	3.2
107.08593	42.7
109.06514	4.6
109.10200	9.1
111.08065	6.3
117.07021	4.9
119.08580	16.0
121.06490	3.8
121.10155	98.4
123.08057	6.8
123.11704	3.1
125.05984	1.8
125.09639	2.8
127.67156	1.5
129.07016	4.0
131.08594	11.5
133.10138	15.6
135.08076	4.8
135.11697	24.9
137.09625	13.1
139.07570	2.4
139.11180	2.5
141.06998	1.9
142.07846	1.8
143.08572	3.7
145.10107	5.1
147.08072	2.4
147.11694	10.1
149.09616	7.7
149.13237	4.5
151.11186	5.3
153.09090	4.5
157.10103	3.6
159.08081	2.2
161.09637	4.8
163.11180	2.9
167.10725	2.8
171.11723	4.4
175.11290	1.6
185.13229	3.1
189.12798	1.7
189.16396	2.0
195.66512	1.8
203.14365	3.7
203.17961	4.0
213.16479	9.8
231.13737	3.1
231.17467	13.1
249.07416	2.8
249.11203	9.3
249.14857	3.0
249.18513	100.0
249.25171	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42982	0.3
56.96540	1.1
56.99417	0.3
57.03413	0.8
58.06576	0.4
61.02915	0.9
64.79687	0.3
67.05478	0.4
69.03409	0.9
70.06593	2.8
70.39227	0.8
70.39589	0.7
71.04965	0.4
72.08167	2.0
72.08482	0.3
73.02901	0.6
79.05486	0.4
80.05006	0.4
81.03397	1.0
81.07051	0.4
82.01437	0.4
82.06548	1.6
83.04974	0.4
84.04460	0.4
84.07724	0.4
84.08154	5.2
84.51711	0.3
85.02882	1.6
86.06071	0.5
87.04446	0.4
89.10775	0.7
91.05466	0.7
95.04953	0.4
97.02881	1.7
98.97559	1.2
98.98479	1.8
99.04436	0.8
100.02477	0.5
100.07576	0.4
101.00865	0.4
102.00981	0.4
103.05435	0.4
104.10723	1.2
105.07025	0.5
109.02879	0.5
115.05520	0.4
116.07073	0.8
117.07040	0.3
119.01920	0.5
119.04961	0.5
120.02026	0.6
121.06496	1.0
123.04418	0.5
128.06204	0.7
131.08583	0.9
133.06464	0.6
135.04445	0.7
136.06201	0.7
137.05954	1.5
141.10208	0.5
143.08586	2.5
147.04395	0.5
148.03845	0.5
148.05141	0.7
149.06000	0.9
153.01843	0.4
153.05791	0.4
159.08028	1.3
160.05162	1.6
160.11249	1.2
161.05983	2.7
162.03175	0.6
162.05382	1.7
163.03908	1.9
163.06250	0.8
164.07082	3.9
171.08116	2.2
173.05962	0.5
174.06755	0.6
176.07056	0.8
177.02390	0.5
177.07858	26.8
178.08449	0.6
183.09753	0.4
185.02966	0.8
188.10759	2.0
189.09106	2.5
196.00890	0.8
204.10301	0.6
204.12297	0.5
206.11777	100.0
207.12119	1.6
222.03725	0.7
227.04103	0.5
227.08727	0.8
230.41618	0.4
234.11150	0.5
236.62825	0.5
245.09892	4.2
250.03044	0.4
250.08997	1.8
250.14420	28.5
268.04309	0.9
269.05533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1851
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
51.02382	0.9
51.66398	0.5
53.03952	7.7
55.01874	1.1
55.05518	5.2
57.07062	0.6
57.27881	0.6
59.05013	0.6
65.03941	1.9
65.67348	0.7
67.05508	28.2
67.85923	0.7
69.07069	4.8
70.67379	0.7
71.05997	1.5
73.06572	1.6
77.03935	1.7
77.59740	0.6
79.05495	57.8
81.03410	1.0
81.07060	16.8
83.08628	2.2
85.06557	3.5
91.05484	42.9
93.07049	100.0
94.07365	1.7
95.04968	6.5
95.08613	9.7
97.06517	1.5
99.08087	1.1
101.06030	0.7
105.04524	4.0
105.07034	10.1
107.08600	27.0
109.10150	3.6
115.07588	2.1
117.07022	3.1
119.08589	16.0
121.06493	1.1
121.10153	47.1
122.10475	0.9
123.08083	1.3
126.31172	0.6
129.07013	1.9
131.08556	6.6
133.09123	1.1
133.10136	18.1
135.08070	6.6
135.11694	8.5
137.09608	1.8
143.08583	2.9
145.10135	2.9
147.11684	2.2
149.09631	1.4
151.11179	3.1
157.10138	4.2
161.09659	0.7
167.10730	1.2
171.11714	3.4
171.58449	0.7
173.13286	2.2
175.11209	1.1
175.14827	8.0
189.12755	1.9
189.16415	4.5
199.14825	10.1
217.15881	9.7
234.97285	0.7
249.18513	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	249.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.0
52.78018	0.5
53.03951	6.1
55.01881	0.7
55.05512	5.1
56.69483	0.5
57.07079	0.6
59.04992	1.3
63.02375	0.5
64.11625	0.5
65.03947	1.7
67.05509	28.5
69.03433	0.5
69.07079	6.1
69.07424	0.9
71.51669	0.7
73.05690	0.5
73.06563	1.5
77.03932	1.8
79.05498	61.8
81.03413	1.1
81.07063	14.8
83.04992	1.0
83.08611	2.0
85.06542	4.1
85.62741	0.5
91.05488	47.4
93.07050	100.0
94.07414	1.1
94.99292	0.5
95.04981	7.6
95.08054	0.9
95.08616	10.6
97.06541	1.3
99.08097	1.6
101.06052	0.5
105.04529	3.8
105.07037	10.1
107.08601	28.6
109.06525	1.4
109.10144	3.0
111.08147	0.5
115.07568	1.9
117.07011	3.7
119.08588	14.9
121.06485	1.5
121.10151	48.1
122.10487	0.8
123.08032	1.0
127.90864	0.5
129.07021	2.7
131.08554	7.3
133.10139	19.7
135.08066	5.1
135.11699	10.5
137.09634	2.2
139.11179	0.6
142.07761	0.5
143.08543	2.7
145.10136	2.2
147.11710	2.6
149.09645	2.4
151.11215	2.8
157.10159	3.7
161.09668	0.9
161.13124	0.6
167.10764	1.1
171.11736	2.4
173.13232	2.6
175.11177	1.1
175.14851	7.7
189.12726	1.7
189.16406	4.8
193.12363	0.6
199.14850	12.1
217.15886	9.9
219.01617	0.5
221.39217	0.5
249.18509	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1488
Annotation	CHEBI:67422
Peak:m/z	Relative Intensity
53.03942	2.1
55.01861	1.2
55.05511	3.3
57.07064	1.8
62.53511	0.5
65.03933	2.2
67.01871	6.8
67.05511	16.5
68.99792	1.1
69.03432	12.7
69.07085	2.6
69.84700	2.7
77.03910	0.8
79.05502	4.7
81.03404	0.8
81.07060	8.3
83.04987	7.0
83.08627	1.5
85.02883	0.6
91.05484	22.3
93.07047	9.1
95.04974	19.0
95.08602	5.7
97.06539	1.1
103.05484	1.2
105.03397	0.7
105.06387	0.9
105.07040	9.1
107.04960	1.6
107.08602	7.0
109.02894	4.2
109.06540	4.2
109.10159	4.8
110.07301	0.8
111.04449	5.8
111.08099	2.2
113.06036	0.5
115.05464	2.2
116.06234	2.8
117.07026	4.3
119.04934	2.0
119.08591	31.8
121.06528	6.1
121.10161	3.2
123.08074	2.2
128.06216	2.1
129.07011	5.8
130.07808	0.6
131.08574	6.0
132.05762	1.3
133.06503	2.2
133.10156	6.3
135.04451	0.5
135.08066	6.7
135.11813	0.7
137.05980	2.7
137.09621	6.4
139.03909	0.7
139.11208	0.7
141.06998	0.9
142.07753	1.3
143.08521	2.5
144.05696	1.6
145.06490	0.9
145.10123	2.2
146.07289	0.9
147.08057	100.0
147.11710	2.5
148.08405	0.6
149.09651	3.5
149.13275	0.7
151.07547	0.6
155.08597	0.8
156.09384	1.3
157.06505	2.0
157.10117	1.7
159.08055	4.0
159.11691	1.3
160.05193	0.7
161.06006	2.3
161.09637	5.4
161.13274	4.1
163.07587	0.7
165.05493	1.0
165.09138	1.6
169.07668	0.9
170.07332	1.2
170.10956	2.0
171.08119	0.7
171.11723	2.8
173.06023	1.1
173.09627	1.2
174.10471	0.9
175.07555	14.5
175.11143	0.8
175.14841	2.2
180.09343	0.6
185.13211	3.2
187.07559	2.0
189.09161	3.1
189.12759	8.8
195.11713	0.8
203.07018	3.0
203.14301	4.6
204.07860	1.2
213.12741	5.8
231.06468	2.9
231.10274	0.9
231.13829	16.4
249.07539	4.5
249.11182	10.8
249.14815	6.9
249.18538	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
54.88955	0.5
55.01849	1.1
67.05500	0.9
69.03429	1.2
70.63980	1.8
81.03410	0.8
83.92059	0.6
85.41038	0.6
91.05489	7.8
97.02895	0.6
97.06548	4.6
103.05467	1.3
105.03418	0.9
105.07011	3.6
107.04957	2.7
112.08366	0.6
115.05447	4.7
116.06255	3.7
117.07024	3.1
119.04925	0.8
128.06226	10.7
129.07019	21.7
130.07814	1.0
131.04927	3.6
131.08577	17.1
132.05702	1.6
133.06479	2.8
133.10130	1.9
133.63437	0.6
137.05995	3.6
141.07002	10.4
142.07771	4.4
143.04970	1.1
143.08549	3.1
144.05710	10.2
145.06485	5.3
145.31525	0.7
146.07233	3.5
147.04411	2.6
147.08037	1.0
152.06223	1.8
153.06996	2.2
155.06035	1.8
156.05705	2.8
157.06509	10.9
158.07222	2.8
159.08070	28.5
160.05124	1.2
160.08574	0.7
161.05975	3.7
161.09619	7.7
167.07031	0.9
169.06543	1.0
169.07632	4.2
170.07281	9.5
171.04431	1.3
171.08054	7.7
171.09361	0.9
172.05226	3.6
173.05989	4.2
174.06816	2.8
175.07622	3.0
178.06285	1.3
185.06071	0.7
186.06793	0.6
187.07568	17.6
188.08267	0.9
189.05463	3.6
189.09137	8.3
190.06282	1.4
191.07060	1.7
198.06802	1.4
199.07558	2.3
201.05421	2.1
203.07076	6.6
204.07829	14.5
205.08565	2.4
206.09346	1.1
216.07774	3.1
217.08517	1.3
218.09428	1.2
219.10225	1.9
221.08211	1.3
221.11655	3.3
231.10178	7.2
233.11774	2.8
234.08830	0.8
249.11243	100.0
250.11574	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01860	0.9
64.36537	0.5
67.05494	0.7
69.03439	1.0
69.07080	0.5
69.78638	0.5
69.97718	2.5
71.04964	0.6
79.05492	1.1
91.05484	8.5
97.02887	0.7
97.06519	3.6
103.05470	1.5
105.07053	3.1
107.04939	2.2
107.08640	0.7
110.06075	0.8
115.05462	6.2
116.06228	3.6
117.07018	3.3
119.04968	1.0
124.07561	0.9
125.08388	0.5
126.09181	0.7
128.06232	10.0
129.07007	22.7
129.63368	0.6
130.07758	1.1
131.04913	3.1
131.08565	19.7
132.05711	0.8
133.06487	3.6
133.10130	2.2
133.84634	0.5
137.05986	3.9
140.27377	0.5
141.06985	11.2
142.07787	4.5
143.04948	1.3
143.08574	3.3
144.05699	10.7
145.06497	5.8
146.07265	3.8
147.04402	1.4
152.06183	1.4
152.52191	0.5
153.06978	2.4
155.06053	2.5
156.05724	1.9
157.06500	9.7
158.07246	2.1
159.04503	0.7
159.08057	30.8
160.05220	1.7
161.05988	3.7
161.09607	7.1
167.07057	1.2
169.06461	1.2
169.07629	4.2
170.07277	8.8
171.04391	1.8
171.08034	7.0
172.05183	2.2
173.05978	4.5
174.06744	3.1
175.07549	3.2
178.06252	1.1
178.09944	0.6
184.05164	0.7
185.06007	0.9
186.06770	1.0
187.07555	17.6
188.08316	0.6
189.05463	3.3
189.09091	8.7
190.06296	0.9
191.06992	1.0
193.08694	1.0
198.06783	2.3
199.07484	3.4
201.05444	2.0
203.07042	6.8
203.10672	0.7
204.07834	13.3
205.08556	2.3
206.09303	1.7
216.07819	4.2
217.08568	1.3
218.09409	1.4
219.10211	2.0
221.08098	0.9
221.11790	3.1
230.61719	0.6
231.10190	6.5
231.14925	0.9
233.11726	1.8
234.08925	0.9
249.11229	100.0
250.11519	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1125
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
63.98423	0.6
67.10849	0.5
68.77688	0.6
69.03419	1.7
71.05244	1.4
72.08162	0.8
75.22057	0.7
81.07133	0.7
91.05492	7.2
103.05447	1.0
103.65456	0.7
105.07058	2.2
107.04950	2.2
108.98055	0.7
109.87112	0.6
115.05471	6.1
116.06253	3.8
117.07043	2.5
121.06554	0.9
128.06238	10.1
129.07024	20.5
130.07849	1.0
131.04926	1.5
131.08588	16.7
132.05721	1.1
133.06523	2.4
133.10129	1.2
137.06052	1.0
141.07016	9.3
142.07777	3.3
143.04887	0.8
143.08589	3.2
144.05730	9.4
145.06516	5.7
146.07329	3.3
147.04451	1.9
152.06250	0.8
153.07047	1.9
155.06032	1.9
156.05742	1.9
157.06506	11.8
158.07277	2.7
159.08075	26.2
160.05310	0.9
161.06004	3.8
161.09631	8.0
167.07027	1.0
169.06468	1.8
169.07733	3.7
170.07285	8.8
171.04356	1.6
171.08072	6.1
172.05205	3.0
173.06041	5.6
174.06798	2.4
175.07581	2.7
177.05411	0.8
184.05247	1.0
185.06041	1.2
186.06828	1.1
187.07568	17.5
188.08272	1.1
189.05499	2.9
189.09128	9.5
190.06285	1.6
193.08685	1.0
198.06798	1.5
199.07565	2.8
201.05569	2.0
203.07047	5.2
204.07831	12.8
205.08661	2.1
211.81274	0.7
216.07819	4.0
218.09424	1.6
219.10158	1.9
221.07903	0.8
221.11638	3.2
231.10149	7.8
234.08969	1.1
249.11253	100.0
250.11594	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03922	1.1
55.01855	1.3
55.05497	1.4
57.03414	1.0
57.59703	0.7
63.14512	0.6
67.05506	4.7
69.03403	2.3
69.07050	2.2
70.06578	0.8
71.50007	0.6
71.50563	1.1
72.08154	0.7
75.49756	0.6
79.05489	3.7
81.03410	0.8
81.07059	7.3
83.04971	0.8
83.08605	1.7
84.85732	0.6
89.61834	0.6
89.74265	0.7
91.05478	10.1
93.07058	4.9
95.04963	3.0
95.08604	5.1
97.06514	0.9
103.05438	2.0
105.03388	1.5
105.07021	5.3
107.04935	2.8
107.08627	3.8
109.06506	1.4
109.10136	2.8
111.04440	0.7
111.08047	1.3
115.05437	5.2
116.06257	3.5
117.07008	4.1
118.07814	0.8
119.04960	1.1
119.08566	4.6
121.06489	2.0
121.10094	2.3
122.06862	0.7
123.04449	1.5
123.08051	0.7
123.11691	0.7
128.06229	8.9
129.06047	1.1
129.07007	18.9
130.07808	1.6
131.04935	2.1
131.08571	19.7
132.05659	1.3
133.06516	3.4
133.10139	4.0
135.04390	0.6
135.08047	1.3
135.11694	1.1
137.05957	0.9
137.09602	1.2
139.05492	0.9
141.06999	9.5
142.07742	3.7
143.08577	4.7
144.05708	10.0
145.06503	6.1
145.10088	1.1
146.07231	3.4
147.04410	2.6
147.08017	1.7
147.11639	2.4
149.09671	0.8
152.06163	1.2
153.07016	3.1
155.06030	1.8
156.05675	2.2
157.06500	9.2
157.10118	1.2
158.07211	2.2
159.08049	26.1
160.05254	0.9
161.06012	4.7
161.09637	8.6
161.13213	1.1
165.05411	0.8
167.07005	1.3
169.06375	1.6
169.07738	3.4
170.07262	9.3
171.04408	1.0
171.08061	5.5
171.11647	0.9
172.05226	3.0
173.05975	4.3
174.06758	3.1
175.07527	3.3
175.11220	1.1
175.14812	1.2
177.05444	0.9
178.06273	1.6
187.07550	17.4
188.08206	1.1
189.05508	4.3
189.09119	10.5
189.12723	1.5
189.16400	1.7
190.06238	1.5
191.07036	0.8
193.08499	0.9
198.06805	1.9
199.07539	2.5
201.05424	1.3
203.07024	6.2
203.14195	1.2
203.17967	0.8
204.07826	11.7
204.22981	0.7
205.08501	1.9
206.09398	1.7
213.16374	1.1
216.07817	3.7
217.08438	0.8
218.09430	1.4
219.10080	2.0
221.08026	1.6
221.11714	1.2
231.10153	8.0
231.13680	1.4
231.17480	1.4
232.09691	0.9
249.11220	100.0
249.18251	4.1
250.11575	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.8
55.05495	1.8
69.07062	0.5
70.06570	0.7
70.21142	0.6
71.50378	0.6
72.08161	0.9
72.93448	0.5
72.93793	4.9
79.05489	0.7
81.03414	0.5
81.07027	1.0
83.01349	8.4
84.08115	0.6
89.03915	3.1
90.94849	2.4
91.05464	0.6
93.07012	0.8
94.03858	0.4
103.05492	0.9
109.05118	0.6
110.95242	0.6
111.00806	5.5
116.59866	0.4
117.03390	16.3
121.05669	0.7
121.06509	12.1
123.06460	0.5
126.94778	0.8
128.25862	0.4
129.07016	0.9
133.05110	0.6
134.03627	0.8
135.04443	0.8
145.02856	60.1
147.04433	0.5
149.06000	7.1
150.07762	26.6
163.03955	1.3
173.70862	0.5
176.07016	1.1
177.05481	100.0
178.05821	1.0
186.05450	0.6
186.14861	0.8
187.07565	0.6
203.07045	0.8
213.09131	0.9
224.94829	11.3
226.88704	0.5
231.06529	4.3
231.10233	1.4
241.02069	0.6
242.95863	7.2
247.96553	2.2
248.12846	82.0
248.15120	18.5
249.11073	0.9
249.13269	1.1
263.57031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01871	0.6
55.05496	0.6
57.03429	0.4
67.05496	1.2
69.03419	1.4
69.21270	0.5
69.21667	4.0
71.04977	0.5
78.30882	0.4
79.05514	0.9
81.03397	1.1
81.07071	0.8
81.46444	0.4
85.06528	0.4
87.03278	0.4
91.05490	7.2
93.07053	0.9
95.04956	1.2
95.08593	0.7
97.02886	0.8
103.05471	1.4
105.03399	0.9
105.07032	3.3
107.04952	2.2
107.08588	1.1
109.02878	0.5
115.05461	5.7
116.06219	3.6
117.07024	3.3
119.04961	0.9
119.08599	1.5
121.06544	0.9
121.10119	0.5
124.07593	0.5
128.05290	0.7
128.06224	9.6
129.07010	20.2
130.07765	0.8
131.04939	2.2
131.08580	17.6
132.05702	1.2
133.06505	3.6
133.10136	2.1
135.04373	0.5
137.05991	0.5
139.05417	0.5
141.06995	10.7
142.07790	5.4
143.04987	0.7
143.08589	3.0
144.05711	10.6
145.06499	6.0
146.07298	3.1
147.04399	1.7
147.08034	0.8
147.11728	0.6
149.09631	0.7
152.06224	1.4
153.07024	2.4
155.04919	0.5
155.06039	1.5
156.05684	2.4
157.06496	10.4
157.10078	0.7
158.07298	2.4
159.04417	1.0
159.08061	28.5
160.05193	1.1
160.08600	0.7
161.05980	4.0
161.09625	7.4
167.04935	0.5
167.07005	1.2
169.06451	1.7
169.07693	4.3
170.07280	8.5
171.04419	1.7
171.08041	6.6
171.09370	0.7
172.05199	2.9
173.05988	5.2
174.06783	2.9
175.07521	3.4
177.05447	0.8
178.06299	0.9
184.05244	0.5
185.05952	0.6
185.13365	0.5
186.06778	1.0
187.07552	18.8
188.08203	1.2
189.05458	2.9
189.09109	10.3
190.06264	1.1
191.07033	1.2
192.07652	0.6
193.08585	1.4
198.06859	2.0
199.07527	2.8
201.05521	1.3
202.34927	0.4
203.07051	6.2
204.07831	13.6
205.08525	2.1
206.09372	0.6
216.07790	3.5
217.08630	0.9
217.63004	0.4
218.09384	1.4
219.06636	0.6
219.10156	1.8
221.08098	1.3
221.11697	3.6
231.10155	6.6
234.08771	1.0
249.11234	100.0
250.11565	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.01880	2.7
55.05508	14.6
56.96556	7.5
57.03428	3.8
57.07066	5.2
64.89706	2.3
65.03956	2.4
67.05508	39.0
69.03423	3.0
69.07082	13.1
71.04993	3.2
71.51019	2.7
71.51387	3.6
72.09720	1.9
79.05496	53.5
81.03413	3.6
81.07057	48.2
83.08624	6.3
85.06550	4.6
91.05488	40.7
93.07051	69.3
95.04980	3.2
95.08608	37.0
95.13176	2.4
98.97577	2.3
98.98459	15.1
99.08097	3.7
105.07050	25.4
107.04938	4.5
107.08598	59.2
109.06522	3.5
109.10155	13.6
110.97560	2.7
111.08067	4.5
117.07024	10.8
119.08585	24.2
121.06504	9.4
121.10150	38.7
122.06837	4.3
123.08107	3.4
131.08546	15.1
133.06439	2.7
133.10141	14.0
133.41762	2.3
135.08057	16.9
135.11702	36.8
137.09624	2.4
137.13304	2.6
142.60924	2.3
145.10149	17.3
145.14740	2.4
147.11707	14.1
149.09599	4.4
149.13237	29.8
149.72461	2.1
151.11206	2.7
159.11716	11.3
161.13225	7.0
163.11197	6.1
163.14833	5.0
169.05135	5.2
173.02177	2.8
173.13284	10.1
177.12895	2.6
187.14810	4.2
201.16438	2.6
227.08263	3.6
229.19502	34.5
247.02492	2.7
247.05856	5.1
247.09792	5.5
247.14845	3.2
247.16890	4.0
247.20596	100.0
247.24667	8.1
248.20924	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	248.1283
Annotation	Securitinine
Peak:m/z	Relative Intensity
53.42101	0.3
54.16551	0.3
55.01865	0.6
55.05513	2.1
57.03427	1.2
57.89550	0.4
61.78096	0.3
67.05500	1.0
70.06587	0.6
70.07475	0.4
71.50390	0.5
72.08154	3.8
77.44703	0.3
79.05493	0.5
80.87233	0.3
81.03409	1.1
83.01345	1.5
84.08168	0.6
89.03929	3.6
91.05477	1.4
93.07053	0.9
95.04941	1.1
97.02887	0.3
98.06059	0.6
103.05477	0.5
105.07015	0.5
106.06576	0.5
106.81962	0.4
109.02892	1.7
111.00813	1.3
115.05473	0.4
117.03386	17.0
118.06543	0.6
118.30760	0.4
119.04929	0.8
121.06502	3.8
123.04418	0.6
129.07027	0.4
130.06570	0.6
131.04944	0.4
134.03662	1.2
134.06071	0.6
135.04443	1.2
136.07639	0.4
137.06003	0.7
140.07106	0.8
144.08167	0.4
145.02852	58.0
146.03177	0.4
146.06042	0.5
148.05165	0.5
148.07608	0.4
149.05978	6.2
150.07745	0.5
159.09180	0.5
161.05962	1.1
162.05492	0.7
163.03944	1.0
167.08548	2.0
173.05959	0.5
175.07625	0.9
176.07066	1.5
176.10735	1.2
177.05478	100.0
178.05028	1.8
178.06039	0.4
185.07166	0.5
185.09589	0.4
188.07088	1.0
189.05585	0.6
190.04984	0.5
192.10289	0.7
195.08095	1.4
198.06744	0.5
202.08662	0.5
203.10715	0.5
204.10236	1.6
213.09084	2.1
230.08192	0.6
230.11766	0.9
231.06606	1.1
231.10143	5.6
232.09648	1.9
233.10298	0.4
248.09288	2.6
248.12840	76.2
249.12839	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2059
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
51.02380	0.8
53.03952	4.2
55.05513	12.3
57.03442	1.9
57.07068	3.9
65.03933	1.6
66.41171	0.8
67.05510	39.2
69.07072	13.5
69.26125	7.9
71.04974	1.9
71.08640	1.5
79.05498	61.3
79.62901	0.9
81.03394	1.1
81.07063	46.9
82.69070	0.9
83.08618	7.3
85.06533	3.7
91.05486	32.3
93.07049	80.0
94.07388	1.2
95.04973	3.8
95.08613	37.3
97.02944	1.1
97.06524	4.2
97.10159	2.4
98.98462	1.8
99.08091	3.9
103.05440	1.2
105.04516	1.6
105.07037	23.8
107.04951	1.5
107.08600	51.0
109.06522	2.5
109.10164	15.1
109.98396	1.1
111.08080	2.8
117.07000	7.8
119.06040	0.9
119.08585	17.2
121.06509	4.4
121.10152	41.9
122.06892	1.1
123.08062	3.3
123.11713	4.0
125.09693	1.8
129.07034	1.7
131.08582	15.6
133.10139	18.3
135.08067	1.6
135.11703	42.1
137.09630	2.1
137.13248	1.3
139.11194	1.4
145.10136	18.7
147.11702	19.6
149.09700	1.3
149.13263	36.1
151.11201	3.2
159.11707	15.4
161.13235	7.7
163.14830	8.2
165.12762	2.7
171.11644	1.3
173.13275	13.8
175.14871	1.4
187.11241	1.2
187.14774	7.1
189.16354	1.2
191.14197	1.0
201.16451	4.2
203.17834	1.0
219.10507	1.0
219.21127	2.2
229.04890	1.1
229.19528	38.6
239.88132	1.0
247.02409	1.2
247.06013	3.2
247.09766	2.4
247.20586	100.0
247.24678	4.5
248.20848	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1332
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03935	6.6
55.01873	2.6
55.05498	4.9
59.04991	2.7
59.35758	1.4
60.04523	6.0
65.03937	4.1
67.05489	4.9
69.03431	23.9
69.07072	2.5
69.61551	1.7
70.02933	2.2
70.94830	1.5
70.95161	3.8
79.05507	9.2
79.26170	1.3
81.03419	5.2
81.07057	7.8
83.04497	2.0
83.04987	23.3
85.02910	8.6
90.83067	1.5
91.05491	24.6
93.03400	4.7
93.07066	12.6
95.04978	5.8
97.02897	12.8
97.06522	2.0
99.04436	2.5
102.04937	2.9
102.05542	26.9
103.05470	1.6
105.07031	18.4
107.04977	3.5
107.08614	18.3
108.08061	1.6
109.02882	19.3
109.06520	12.2
109.10154	2.1
111.04448	5.7
115.05455	4.7
117.07018	14.9
119.08598	19.7
121.02862	6.2
121.06511	22.0
121.10136	6.2
122.07251	1.8
123.08058	3.7
127.03927	8.5
128.06248	4.7
129.07004	7.6
130.07773	2.0
131.08569	21.6
132.05717	3.8
133.06441	2.2
133.10146	9.5
135.08067	33.0
137.06009	5.3
137.09612	4.3
139.03903	2.6
141.06990	3.8
142.07784	4.0
143.08585	12.7
144.05681	1.7
144.09348	13.2
145.06490	15.0
145.10124	14.4
146.06017	2.3
146.07178	1.6
147.08063	7.0
149.06006	3.9
149.09616	25.8
150.10361	2.7
151.11182	5.2
154.07718	2.8
155.08595	7.7
156.09308	1.9
157.10068	5.6
158.07256	5.1
158.10944	11.3
159.08078	13.3
159.11707	34.2
160.08850	5.0
161.09625	6.1
163.07568	18.3
163.11244	2.1
168.09323	5.9
169.10124	4.7
170.10907	5.1
171.08098	8.0
171.11678	2.2
172.08844	23.0
173.05930	2.4
173.08344	1.1
173.09639	33.0
173.13277	35.2
174.64137	1.6
175.07498	1.7
181.06467	3.0
183.11732	10.8
185.09602	2.7
185.13297	2.6
186.10408	28.7
187.07593	4.1
187.11200	100.0
188.11523	1.8
189.09148	3.3
191.07033	43.6
193.10147	2.3
195.07976	1.7
196.08826	5.1
199.07526	3.0
201.05458	2.2
201.12762	59.8
205.12242	4.4
206.15410	2.5
211.11209	13.6
214.09967	2.5
219.13831	6.3
229.04974	3.4
229.12259	68.0
247.06020	4.8
247.13301	82.5
247.17235	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	247.1332
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
51.91439	1.2
53.03934	4.7
55.01870	1.4
55.05493	5.0
57.07061	2.4
59.04989	1.5
65.03924	5.0
66.28254	1.0
67.05500	5.8
69.03096	1.2
69.03434	18.9
69.78352	2.2
69.78739	3.2
79.05491	8.8
81.07053	8.5
83.04986	19.6
85.02879	1.5
91.05473	15.9
93.03393	4.9
93.07043	15.5
95.04978	5.5
95.08592	4.2
97.02897	7.9
97.06531	2.3
103.05467	2.0
105.07025	12.5
107.04912	2.6
107.08609	13.5
109.02892	10.5
109.06509	12.1
109.10157	3.6
111.04471	6.3
115.05450	3.3
116.06218	1.3
117.07005	11.0
119.08589	16.3
121.02834	4.6
121.06511	18.7
121.10151	6.4
122.07349	1.9
123.08048	3.7
128.06216	4.0
129.06976	6.5
130.07808	2.0
131.08563	16.5
132.05711	3.4
133.06512	1.5
133.10150	11.0
135.08057	32.2
137.06010	4.1
137.09573	3.5
141.06943	1.5
142.07738	3.1
143.08575	9.5
144.09325	7.7
145.06503	14.8
145.10130	12.6
147.08049	4.9
147.11639	1.7
149.06020	1.7
149.09618	25.3
149.13136	1.6
149.87729	1.3
150.10425	3.2
151.11166	4.7
153.06999	3.4
153.09148	1.2
155.08548	5.9
157.10100	3.5
158.07234	3.0
158.10902	10.6
159.08040	12.0
159.11691	25.4
160.08841	3.2
161.09610	5.5
163.07558	22.2
163.11176	2.9
165.09097	2.4
168.09319	4.8
169.10172	3.7
170.10928	4.3
171.08032	7.6
171.11674	1.6
172.08844	17.6
173.05931	1.8
173.08112	1.5
173.09622	28.1
173.13258	33.0
175.07545	2.0
175.11130	1.3
181.06378	1.6
183.11696	10.7
185.09676	1.4
185.13264	3.0
185.68556	1.2
186.10410	24.3
187.07715	2.5
187.11185	100.0
188.11566	1.7
189.09137	2.4
191.07033	40.1
193.10185	2.0
196.08812	4.0
199.07617	3.0
201.12755	58.7
201.16377	2.0
205.12192	6.5
211.11215	10.9
214.09868	3.3
219.13838	4.8
229.05000	1.4
229.12239	57.3
229.15742	2.5
230.12689	1.3
247.02306	1.2
247.06001	2.8
247.13287	80.9
247.17166	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	246.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07044	0.4
57.07084	3.8
69.55816	0.3
70.06597	5.9
71.08621	1.3
71.50665	0.5
80.05029	0.4
81.03413	0.8
81.07037	0.3
85.10184	0.5
88.07641	8.2
91.05482	0.9
93.07034	0.7
94.02030	0.3
99.04472	0.3
102.05554	0.4
102.09202	2.1
103.05461	0.7
106.08671	4.9
114.05534	0.8
117.05511	0.6
118.06551	7.5
119.08585	0.4
121.06522	3.5
131.08600	0.3
132.08087	1.4
133.08907	1.0
134.09613	0.5
142.08690	0.3
146.09659	2.5
147.08057	0.3
147.10477	0.3
148.08426	0.4
176.14363	48.3
177.14569	0.5
184.20610	0.5
188.09145	0.4
188.14360	2.0
200.10716	0.5
202.21620	0.4
211.88179	0.4
216.17442	0.5
224.37135	0.3
228.10336	1.1
228.23209	4.2
229.05096	0.5
246.07712	1.2
246.22174	100.0
246.24367	47.0
247.16956	0.5
247.22502	0.9
247.24739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91753	1.4
51.01859	1.5
52.73032	1.2
70.06590	1.4
70.85013	3.3
70.85373	1.2
72.08146	2.4
84.08112	4.3
97.47391	1.3
100.07607	1.9
104.10755	3.7
125.90317	1.4
158.47296	1.3
167.03151	1.4
183.68361	1.4
229.03223	33.2
247.04266	100.0
247.07895	32.0
247.18462	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88894	1.3
70.94312	3.4
72.08138	3.5
84.08152	2.1
86.09756	1.5
98.98494	2.9
101.00867	2.7
119.01926	2.4
175.04399	1.6
229.03206	32.8
247.04276	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1127
Annotation	Pyrrolezanthine
Peak:m/z	Relative Intensity
51.61908	0.6
53.03955	0.6
55.05502	0.7
56.05030	0.7
62.35942	0.6
62.70255	0.6
69.03449	0.5
70.06580	2.3
71.50512	0.9
81.03402	0.8
83.04963	1.1
84.04489	0.9
86.09694	0.8
87.43249	0.6
91.05472	1.6
97.02873	0.7
98.06048	0.6
102.05582	0.7
103.05456	0.7
114.05538	0.9
117.05422	1.1
117.06983	0.7
119.04896	0.7
121.06507	2.2
122.05992	0.7
123.04438	0.8
128.06224	0.8
129.07001	2.0
129.88145	0.5
130.06577	0.7
131.04967	0.7
133.02858	1.2
133.06479	0.8
135.04425	0.6
137.05959	1.1
142.07764	1.3
143.08557	2.0
149.02371	0.9
153.06985	1.1
155.08575	5.1
157.06470	1.2
157.10110	1.2
160.03943	1.8
160.05205	0.8
161.05986	1.4
162.05536	1.4
163.06268	1.7
164.06984	1.2
165.06982	1.6
171.08063	4.2
172.07538	0.9
172.11217	0.7
173.05951	1.6
173.09586	0.7
174.06735	0.6
176.07089	0.9
177.07835	1.5
182.09726	1.7
183.08066	7.1
185.08247	0.6
185.09683	4.6
185.77423	0.6
186.09065	1.0
188.07098	0.8
188.09134	0.8
189.09171	5.4
190.08662	0.8
199.06171	1.3
199.07745	0.9
200.07074	2.0
200.10718	2.2
201.09132	7.5
202.08626	2.4
203.10759	3.7
210.09111	1.7
211.07524	3.6
213.07782	0.7
216.06602	0.9
217.07335	26.1
218.08330	1.0
218.11771	33.5
219.12260	0.7
228.10168	7.7
229.08588	2.3
246.07639	6.7
246.11269	100.0
247.05850	0.7
247.11569	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.3
55.05497	0.5
56.05037	0.4
59.94928	0.2
66.17011	0.2
67.05495	0.3
69.03436	0.5
69.07071	11.2
70.06606	0.6
71.50890	0.3
72.08102	0.4
81.07052	0.6
83.04983	3.2
84.08145	0.4
85.02896	0.3
85.06580	0.3
86.09709	100.0
87.10026	0.6
91.05500	1.4
97.02877	0.3
105.15597	0.3
119.04944	0.3
121.06526	0.8
125.09628	0.3
128.06200	0.6
129.10234	0.4
132.10191	1.5
133.06462	0.3
136.04054	0.3
137.18422	0.3
141.29044	0.3
142.03255	1.2
147.04407	0.7
165.05498	1.3
171.04430	0.4
186.11555	0.4
199.03957	0.5
199.07455	0.5
199.11302	0.3
199.17979	0.6
214.11243	0.3
227.07133	0.6
228.16006	0.8
245.04436	1.9
245.07898	1.3
245.13086	1.9
245.15173	0.4
245.16145	0.4
245.18623	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	246.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57445	0.5
53.03938	0.9
55.01894	1.5
55.05518	1.6
56.05034	1.7
56.96560	4.1
57.07087	0.7
58.06603	3.8
60.08160	0.8
67.05506	2.2
68.05048	1.2
69.03422	1.0
69.07076	1.6
70.02957	6.4
70.06594	4.5
70.26279	1.1
71.04997	100.0
72.04528	1.2
72.08154	3.6
73.02924	2.7
74.02444	10.9
74.06074	2.8
79.05510	1.0
80.05005	1.5
81.03411	1.1
81.07082	1.6
82.06596	1.5
83.04986	1.1
84.04516	5.3
84.08143	4.9
85.02911	2.3
85.04032	0.8
85.06557	0.8
86.06083	0.9
86.09708	5.1
87.05595	0.8
88.04001	23.2
91.05489	1.8
93.07056	1.4
95.01347	1.0
96.04519	1.5
96.08147	1.5
97.02925	1.5
97.08463	0.7
98.06096	0.9
98.97610	2.4
99.04492	0.8
100.03999	1.2
100.07622	13.5
102.05549	1.3
103.05504	0.9
107.04949	1.2
110.02444	1.4
110.06052	1.2
110.97562	0.9
111.24116	0.6
113.06038	2.1
114.05551	2.4
116.03466	6.9
116.07072	1.2
116.98623	1.1
117.05534	1.1
117.10268	5.8
117.11031	0.9
121.06522	9.1
124.07584	4.0
124.11242	1.7
125.05994	0.7
125.07962	5.8
126.05537	1.0
128.03458	5.7
128.07103	1.5
129.10280	1.1
130.05043	2.2
130.06569	1.1
130.08687	1.1
131.07039	3.7
132.10239	1.7
134.04497	36.7
134.99670	0.6
136.07582	0.6
137.06018	1.7
138.09218	0.9
139.04060	0.7
140.07126	0.8
141.10242	1.0
142.05043	0.7
142.08710	0.7
144.98151	0.6
147.04417	0.6
147.11290	0.8
153.01820	3.6
154.02222	2.4
156.10252	1.5
157.05170	0.9
163.03935	0.6
164.07135	1.9
166.08685	0.8
168.06581	1.0
170.11778	10.9
172.07562	0.7
174.04007	9.9
174.05397	1.0
182.11804	1.4
184.09718	0.7
187.10802	1.3
188.09300	1.0
200.07333	1.3
200.09253	6.9
200.10820	1.7
200.12762	1.2
201.12343	1.6
202.10765	3.1
212.09259	0.7
213.00758	0.7
228.05026	0.9
228.08495	5.1
228.10548	1.3
228.12367	2.6
228.14319	1.0
246.05029	1.3
246.07716	2.8
246.09691	7.8
246.13544	2.8
246.15614	1.1
246.18156	11.8
246.24518	0.8
247.06081	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
55.05520	1.1
69.03429	0.5
69.07065	0.7
70.06596	0.6
71.04967	0.2
71.26232	0.5
72.08150	0.4
79.05498	0.3
80.05058	0.3
83.04976	2.4
85.02896	0.3
86.09709	100.0
87.10035	0.8
91.05504	0.6
94.42658	0.2
97.02891	0.4
101.09393	0.2
105.05509	0.6
114.03770	0.3
115.03942	0.3
121.06512	0.6
123.04468	0.4
127.69199	0.2
128.06194	0.4
129.06966	0.3
132.10217	3.1
133.06502	0.3
142.03214	1.5
145.02745	0.2
147.04428	0.4
149.05992	0.2
157.04996	0.3
165.05537	0.5
170.02795	0.2
171.04430	0.5
171.08037	0.5
181.06319	0.3
187.46503	0.2
199.04027	0.4
199.18140	1.5
206.20563	0.2
217.07047	0.4
227.11867	0.3
228.19731	0.4
245.04465	1.1
245.07878	1.1
245.13217	1.5
245.18611	3.5
245.22267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.01880	0.4
55.05504	0.9
56.05045	0.2
57.03437	0.2
57.05811	0.6
57.07076	0.3
58.06601	0.3
66.12022	0.2
66.60864	0.2
67.05502	0.5
69.03443	0.4
69.07072	11.5
69.25769	1.9
70.02927	0.2
70.06586	1.1
71.04996	0.2
72.08146	0.3
77.52974	0.2
80.05013	0.4
81.03437	0.5
83.04989	5.3
84.04552	0.2
84.08152	0.5
85.02922	0.5
85.06575	0.2
86.09711	100.0
87.10047	0.5
91.05482	1.8
93.07040	0.3
97.02909	0.5
98.97599	0.2
101.06065	0.3
105.07027	0.4
107.04996	0.3
114.03758	0.3
115.05506	0.3
119.04982	0.3
121.06538	0.9
123.04444	0.2
126.05553	0.3
128.06245	0.4
129.07048	0.3
130.06549	0.4
132.10237	2.0
133.10118	0.2
142.03268	1.4
143.08586	0.4
145.06477	0.3
146.06021	0.2
147.04422	0.9
153.07109	0.2
157.06506	0.3
158.36180	0.2
161.06026	0.4
164.98715	0.2
165.05487	2.0
171.04443	0.6
171.08087	0.5
175.07594	0.4
186.11533	0.3
188.00063	0.3
189.05608	0.2
199.03885	0.2
199.07571	0.6
199.18140	0.9
227.06821	1.1
228.15984	0.2
245.04413	1.9
245.07832	1.6
245.13171	1.8
245.18639	3.0
246.11426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1385
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
53.99292	8.8
55.05499	33.5
56.96560	10.7
57.03424	11.6
62.52271	9.5
62.93740	9.9
66.18614	9.7
67.05491	20.1
69.07066	23.8
71.51202	14.6
76.34650	11.3
79.05486	35.9
81.03422	11.7
81.07059	32.9
83.04971	100.0
86.09708	27.1
86.52088	9.0
87.04514	10.0
91.05489	80.8
93.07040	43.3
95.04987	10.9
95.08594	23.0
97.10163	22.6
98.97585	11.5
100.11254	18.4
105.07018	36.9
105.22305	10.4
107.04937	19.6
107.08585	33.4
109.06521	10.2
109.10133	15.9
109.82459	10.4
118.04118	12.8
119.08601	25.9
121.02852	22.2
121.06561	21.0
121.10158	25.7
121.78983	9.2
129.07008	28.5
131.08548	21.2
133.10110	18.3
135.11742	15.4
142.03290	11.1
142.07770	24.8
143.08569	14.7
145.10089	24.2
149.02388	13.4
151.07588	11.9
153.07027	19.0
157.10104	27.5
163.11195	29.8
167.03413	63.6
171.04439	21.8
171.11621	12.8
175.07486	11.3
185.13316	17.4
189.09131	23.3
191.10681	23.9
194.82951	10.3
199.03882	24.4
199.14815	9.9
217.05048	15.3
227.06989	71.0
227.14273	28.9
245.04489	85.7
245.08104	40.5
245.12016	32.9
245.15419	43.3
245.19002	21.1
246.07671	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	245.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
53.03952	0.6
55.01868	0.4
55.05510	1.5
56.05036	0.5
56.13029	0.3
56.96568	2.4
58.99598	0.5
65.03928	0.4
67.05523	0.4
68.05013	0.9
69.03441	0.6
69.07074	0.8
69.45923	0.9
69.46346	1.3
70.06590	1.3
71.04996	2.6
72.08152	1.5
73.02919	0.3
74.02452	0.4
76.02251	1.3
79.01853	0.9
79.05494	5.0
80.05011	1.1
81.03414	0.5
81.05806	3.3
81.07066	4.3
82.06583	0.6
83.04984	0.4
83.06130	0.4
84.04520	1.9
84.08148	2.2
85.02934	0.7
86.06071	1.4
86.09712	1.0
88.04002	0.9
91.05466	0.8
93.07030	0.4
94.06575	2.5
95.04954	0.4
96.04493	1.1
96.08139	16.8
97.02903	1.0
98.06056	0.8
98.20786	0.5
98.97581	2.0
99.02716	0.4
100.07618	1.0
100.11271	1.0
100.99160	0.6
103.05484	0.3
103.47833	0.3
106.06555	3.4
107.04967	0.5
107.81111	0.3
109.02877	0.3
110.07162	0.4
111.02706	0.3
111.05574	1.3
112.99122	0.7
114.05557	0.8
116.07128	0.5
116.98627	1.0
117.07030	0.3
119.00215	0.3
119.04946	0.4
121.06510	1.6
122.02738	1.5
122.06034	1.1
122.06884	0.8
124.07598	100.0
125.02355	0.6
125.07185	0.3
125.07980	1.0
126.05537	1.8
128.03479	0.4
128.98528	0.3
129.06990	0.3
129.10265	0.4
130.05032	1.9
130.06549	0.3
130.08629	0.3
131.00131	0.5
131.28752	0.3
132.06639	0.4
134.04486	0.7
137.05945	0.3
138.09177	0.5
139.03912	0.4
140.07071	2.9
142.03270	0.5
142.04996	0.7
143.03383	0.7
143.08540	0.4
147.04395	0.3
149.01181	0.3
153.01839	7.6
153.02916	0.5
156.04788	11.4
158.06279	0.3
158.99658	0.4
161.05988	0.4
161.07196	0.5
165.05420	0.4
171.04462	0.6
171.07954	0.3
174.03934	0.4
177.00807	0.4
181.09798	0.3
182.11784	0.7
184.09764	1.5
189.05443	0.4
197.51907	0.3
199.03893	0.5
199.09059	7.2
199.10922	0.7
199.18271	0.3
201.10753	0.3
201.12358	1.7
209.10083	0.3
209.12964	0.4
217.04996	0.6
219.01859	0.3
219.92859	0.3
227.07101	0.4
227.13937	1.4
228.06882	1.1
237.02769	0.6
245.04413	3.1
245.09607	8.4
245.11815	1.0
245.15019	0.7
245.18777	0.8
246.18259	0.4
254.05647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0923
Annotation	Brunnein A
Peak:m/z	Relative Intensity
55.05508	0.6
57.02375	0.5
68.99786	1.0
70.76241	0.9
72.08177	0.7
78.00412	0.3
83.04982	0.6
85.65305	0.4
86.09700	0.9
87.00824	1.5
115.05450	3.7
117.05746	4.1
118.06538	2.3
129.06995	1.7
130.06531	11.0
132.08098	52.9
133.08411	0.7
140.04982	0.6
142.06508	8.0
143.07343	0.5
144.08020	0.7
154.06554	1.1
156.06841	0.4
156.08078	5.2
157.07619	8.2
158.06042	1.3
158.08397	7.1
159.09184	100.0
160.07587	7.7
160.09579	1.1
166.06590	0.6
167.06035	5.3
167.07220	0.5
170.06007	3.1
171.09207	0.7
172.07568	1.7
181.07608	1.9
182.06035	1.1
183.09200	1.7
184.07581	17.3
185.07109	46.4
186.07442	0.6
192.73529	0.4
199.08702	2.2
200.07068	7.4
201.08386	0.8
201.10246	13.7
201.12064	0.9
205.93332	0.4
209.07101	1.7
227.08162	40.2
228.08476	0.8
245.09259	21.1
246.09700	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.0
57.06828	4.9
57.07069	39.5
57.68438	6.0
58.07411	7.1
64.85200	5.7
67.05505	18.6
67.32105	5.7
67.86176	5.9
71.04982	8.7
71.08630	26.6
71.51026	8.4
72.08981	12.0
74.97374	5.8
79.05503	8.2
81.07063	40.7
83.05055	5.4
88.07623	19.3
91.05473	14.4
93.07050	8.9
95.08604	11.9
105.07027	10.4
119.08537	6.6
119.64935	6.4
123.08105	6.6
123.11737	8.3
131.08630	9.3
131.16351	7.1
133.10130	11.5
137.69002	5.8
138.09167	7.1
145.10114	9.3
147.11714	16.2
169.40076	6.3
173.13345	7.3
173.24832	6.3
242.28503	17.5
243.06451	13.6
243.10437	13.3
243.13658	8.0
243.17641	6.8
243.21149	12.7
243.25125	14.6
243.28766	100.0
244.09521	6.6
244.26471	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	245.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.3
58.99843	0.5
68.98294	0.5
69.03407	1.2
71.06470	0.3
71.07152	0.6
74.77846	0.4
75.44140	0.3
81.03390	1.1
82.99805	2.3
84.99619	0.6
85.01384	0.5
86.99318	0.8
87.04443	0.3
89.00823	0.3
97.01418	0.3
97.02885	2.7
98.97575	1.1
101.00881	21.6
102.00931	0.8
102.96851	1.5
103.00623	3.4
103.02457	1.0
105.00342	0.6
106.08141	0.3
109.02885	0.7
113.00874	2.4
115.02435	1.7
116.98688	0.4
119.01925	30.6
120.02020	1.7
120.97911	1.1
121.01670	5.4
121.02460	0.5
121.06513	0.3
125.00843	0.5
126.12446	0.3
127.02464	1.7
127.03919	0.9
129.03967	1.0
131.01918	5.2
131.05556	1.3
133.03426	1.8
136.99570	0.5
137.00926	0.3
137.02966	3.6
139.02513	1.2
141.03946	0.7
142.03464	0.7
142.98575	1.3
143.01903	16.8
145.02441	0.5
145.03477	5.9
147.01378	1.2
147.05070	0.5
149.02927	0.6
149.06631	0.4
153.65990	0.4
155.01874	3.0
157.03481	7.2
158.99864	0.5
159.01411	0.7
159.04935	0.5
160.99646	3.8
161.02963	34.0
162.03149	0.6
163.04523	0.5
167.01955	1.6
169.03477	1.6
169.75807	0.4
171.05037	0.9
173.02975	6.0
173.43484	0.3
175.04517	4.9
177.00963	1.5
177.02480	0.3
177.09712	0.7
178.01053	1.0
179.00694	21.1
179.04016	0.9
179.67619	0.3
180.00858	0.7
184.99661	1.1
185.02957	7.7
187.04549	3.3
189.06020	0.6
191.03949	1.6
197.02982	3.9
199.00896	0.4
199.04538	1.9
200.93170	0.3
203.00780	3.2
203.03990	7.0
203.11284	0.5
215.04018	2.5
217.01727	0.4
217.05638	1.8
219.01976	1.6
219.03903	3.1
220.02147	0.8
221.01773	24.2
221.04805	1.6
222.02026	1.5
227.00616	2.6
227.04059	1.9
233.05083	0.6
236.00540	0.4
239.98526	0.5
245.01849	12.3
245.05066	28.6
245.12187	2.0
246.05153	0.6
261.02954	0.8
263.02887	100.0
264.02954	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39244	1.1
53.03956	1.5
55.05515	7.1
56.05043	9.0
57.03432	1.9
57.07071	1.9
62.17023	1.1
67.05501	10.3
68.05011	3.1
69.03426	5.3
69.07066	14.6
70.06578	4.5
71.04979	1.0
71.20662	1.5
71.20995	1.4
74.02439	16.7
79.05482	4.4
81.07060	29.5
82.06592	1.7
83.04978	3.5
83.08601	3.8
84.08150	8.3
85.06548	11.1
86.09701	1.9
91.05467	3.4
93.07037	11.2
94.06577	1.9
95.04957	3.5
95.08610	92.6
96.08142	1.9
97.06499	3.0
97.10153	4.1
98.09695	5.0
100.03964	2.4
105.07033	15.9
107.08595	14.1
108.08121	3.4
109.02850	1.7
109.06509	4.4
109.10166	6.6
110.09686	1.4
111.08136	1.9
111.11724	2.4
112.11230	6.0
113.06027	1.9
114.05529	3.9
119.08588	22.8
121.10154	19.3
122.09704	1.7
123.08075	19.4
128.07104	3.4
131.68452	1.1
133.10106	5.8
135.11694	15.1
136.11118	1.4
137.13266	11.1
138.12782	20.2
140.07050	4.7
142.08597	1.5
151.07518	1.3
151.14853	3.9
153.01822	2.6
158.11792	4.8
161.13266	39.1
161.14630	2.0
161.72195	1.3
162.13525	1.4
168.06555	4.8
168.10196	2.8
178.15842	5.4
179.14316	17.7
184.13313	15.3
189.12709	1.2
196.16972	100.0
197.03786	1.4
197.17424	1.7
207.13808	2.4
224.09193	2.2
224.16455	27.6
242.08110	1.6
242.10286	3.1
242.13773	2.5
242.17522	88.1
243.17883	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	243.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	21.5
57.03427	14.5
57.07072	17.3
67.05505	67.3
68.03504	7.9
70.13704	8.1
71.08632	13.6
76.40304	7.9
79.05488	24.0
79.32452	7.9
81.07055	100.0
83.05002	9.3
83.08612	14.7
85.06558	16.3
88.07639	25.2
91.05478	29.5
93.07050	18.6
95.05005	11.7
95.08602	22.2
105.07028	18.3
107.08595	16.4
119.08503	10.2
123.08052	10.3
123.11710	20.7
131.08521	13.4
133.10083	17.3
135.05293	8.9
147.11617	23.0
157.10196	12.0
162.71664	8.7
243.06505	26.3
243.10228	23.5
243.15846	30.8
243.25058	14.1
243.28738	61.3
258.54004	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71611	0.6
53.03948	1.8
53.82238	0.5
55.01877	0.9
55.05519	4.4
56.02648	1.7
57.07079	0.9
59.04993	0.7
61.86533	0.5
67.05511	26.6
69.03419	0.6
69.07067	3.9
70.03778	2.4
71.04998	100.0
72.05355	0.9
73.06585	0.6
79.05501	13.8
81.07064	36.4
83.04997	1.4
83.08628	2.5
85.06554	6.7
85.84181	0.5
91.05482	9.7
93.07051	24.8
95.04985	2.0
95.08614	18.5
97.06539	5.1
99.08125	1.4
101.06009	1.0
105.07030	5.0
107.08604	7.2
109.06546	1.4
109.10175	2.3
111.08085	2.8
117.07027	6.8
119.08598	1.6
120.03373	0.5
121.10148	2.6
123.11803	0.7
129.09143	0.7
131.08580	8.1
133.10149	6.8
135.11702	15.0
143.08632	1.0
149.13268	9.0
151.11226	1.0
153.18427	0.6
157.10127	1.0
159.11699	14.5
161.13351	0.6
163.97804	0.7
171.11758	0.8
177.12773	7.8
185.13318	0.9
209.15492	2.5
220.60493	0.6
222.24049	0.6
241.19678	2.1
260.22672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
51.06403	0.2
55.25682	0.2
58.06601	20.3
70.06590	3.3
71.49842	0.3
72.08134	0.6
81.03415	0.6
84.08144	9.8
98.06023	0.2
98.09689	1.5
100.11250	0.6
104.10760	1.0
113.88118	0.2
114.05537	0.4
116.07098	0.8
116.10696	0.3
126.05504	0.4
128.10722	3.7
144.10199	1.2
168.10156	1.0
196.09686	6.0
204.79527	0.2
213.16080	0.4
241.15469	100.0
242.15765	1.4
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
53.03947	2.7
55.05503	3.0
56.02661	2.1
65.03947	1.5
66.30572	0.8
67.05505	25.2
69.07072	4.7
69.41471	6.5
71.04998	100.0
77.34896	0.8
79.05503	13.4
81.07060	39.9
83.04993	1.7
83.08618	3.4
85.06543	6.7
91.05474	10.0
93.07045	24.1
95.04971	1.6
95.08058	1.7
95.08615	17.2
97.06529	4.1
99.08118	2.9
105.07044	6.6
107.08604	8.5
109.06542	1.6
109.10136	1.7
111.08057	2.8
117.07012	6.7
119.08582	2.0
121.06413	1.0
121.10157	2.2
125.09587	1.0
131.08557	8.9
133.10129	7.5
135.08070	1.8
135.11708	16.4
143.08589	1.1
149.09563	1.5
149.13261	9.4
157.10120	1.3
159.11708	19.3
161.13252	1.1
165.87685	0.9
177.12766	7.8
185.13087	0.9
209.15405	3.1
213.05391	1.0
241.15836	0.9
241.19580	2.8
246.27708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1436
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.05512	17.9
56.96559	3.7
57.03439	19.7
57.07071	3.7
59.05005	5.2
67.05508	19.2
68.99809	2.9
69.03432	27.3
69.07067	11.2
70.06595	3.3
71.04987	6.1
71.50607	2.7
71.50999	3.9
75.04487	16.4
79.05486	11.4
81.03398	2.6
81.07060	21.3
83.04987	28.8
83.08617	4.8
84.08114	2.7
85.02893	13.7
85.06541	7.6
91.05483	10.5
93.07043	27.4
95.04962	18.8
95.08611	28.7
97.02905	5.5
97.06559	15.1
98.97590	3.9
99.04467	6.0
99.08108	9.0
103.03956	8.4
105.07034	17.6
107.08601	21.2
109.02876	9.3
109.06515	11.0
109.10147	19.6
111.04433	5.8
111.08082	10.1
113.05953	3.9
117.07001	4.8
118.05797	2.9
119.08542	12.9
121.06522	10.4
121.10135	40.7
123.08070	100.0
123.11694	14.8
124.08401	3.4
125.05983	22.7
125.09649	10.1
127.03976	3.0
129.86900	3.3
130.07791	4.6
131.08559	6.0
133.10129	10.1
135.11697	10.4
137.05997	4.6
137.09589	24.5
138.01965	2.6
139.07535	24.3
139.11186	46.9
141.05489	3.5
141.09097	11.9
143.08606	2.9
145.10156	22.2
147.08057	3.9
149.06003	9.1
149.09624	12.8
151.11168	15.2
153.09123	4.2
153.12785	4.3
159.11658	7.6
161.09650	25.2
163.11194	28.6
165.09079	15.5
167.05544	3.6
167.07043	30.1
167.10707	6.5
177.12778	6.3
179.10664	18.8
181.04893	3.2
181.06448	3.7
181.12274	17.7
195.13820	3.5
197.11800	4.9
205.12250	27.5
205.15860	3.6
213.05557	3.2
221.07585	5.5
223.06084	5.1
223.13365	17.2
223.16910	6.2
230.08121	5.9
241.04845	4.5
241.08621	5.8
241.10246	3.5
241.14124	13.1
241.19926	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	240.1597
Annotation	Salbutamol
Peak:m/z	Relative Intensity
55.01874	10.0
55.05500	3.7
67.05501	5.9
68.05024	3.8
69.03431	3.0
69.07070	14.2
70.02953	2.3
70.06596	20.2
70.62851	4.1
71.04996	24.9
72.08150	4.1
77.19765	1.2
79.05487	4.8
80.04984	1.3
81.04512	1.1
81.07072	11.5
82.06581	2.0
83.04958	2.6
84.02126	1.7
84.08137	1.4
86.06073	4.8
91.05476	2.6
93.07065	1.7
94.06573	2.8
94.07383	1.2
95.08598	5.0
96.04490	3.1
96.08131	26.8
97.05222	1.4
97.06541	2.4
98.09679	8.8
105.07021	2.3
106.06566	7.2
107.08580	6.9
108.08121	5.7
108.14151	1.4
109.10152	3.6
110.06062	1.7
112.07535	2.0
118.08675	2.1
119.08589	1.9
120.08102	2.0
122.06030	12.7
123.08090	1.5
124.07597	68.1
125.05975	1.4
125.08372	4.9
136.07620	1.9
137.09651	1.7
138.05493	1.7
140.07074	18.0
147.91479	1.1
149.13173	1.2
150.12790	4.4
152.07050	3.8
152.10703	2.2
153.07890	9.4
154.08614	2.1
176.14293	3.4
194.15392	9.0
198.08476	1.6
204.13760	10.1
222.14888	100.0
223.14990	1.4
223.17043	1.3
240.06496	2.0
240.08737	1.4
240.12260	2.8
240.15976	9.9
240.19739	2.0
262.45114	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
56.05008	0.3
67.05486	0.9
69.07061	0.5
70.04088	0.8
70.06585	0.9
72.04507	1.0
74.06080	0.4
79.05483	1.1
80.05000	0.4
81.07067	1.8
82.07376	0.3
91.05473	0.5
93.07050	1.8
94.06566	0.5
95.08595	1.5
96.08150	0.3
97.25987	0.3
100.07603	0.5
105.07017	0.3
107.08586	0.9
108.08112	1.1
109.08906	0.3
109.10156	0.5
110.06145	0.3
112.07600	0.7
120.08099	0.4
121.06499	0.5
122.09687	1.6
122.13569	0.3
123.10444	0.4
124.07595	4.1
126.09162	0.7
128.10747	0.5
135.11665	0.8
136.11206	2.5
137.13190	0.6
138.09131	1.0
139.09932	1.2
140.10712	0.7
142.12262	1.3
150.12755	2.0
151.13542	0.6
152.10712	2.0
153.11479	0.9
154.12236	1.8
166.12277	4.4
166.15874	0.3
167.13121	2.2
168.13867	1.4
178.15918	0.4
179.61937	0.4
194.15465	2.1
196.16975	100.0
197.17282	1.7
198.18582	1.7
229.30070	0.3
240.06567	0.6
240.09323	0.6
240.19592	47.2
241.19952	0.9
252.78384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1436
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03950	2.5
55.01866	4.4
55.05502	9.6
57.03429	4.4
59.04986	2.1
65.03942	2.6
65.73293	2.1
66.09877	2.0
67.05516	13.7
69.03437	26.4
69.07072	5.3
70.06587	3.3
71.05001	2.6
71.49752	2.3
73.02911	5.3
79.05483	9.4
81.03426	2.6
81.04519	2.2
81.07055	11.3
83.04984	56.1
84.08147	2.4
85.02930	3.5
85.06593	2.0
91.05489	7.3
93.07053	19.4
95.04971	100.0
95.08614	11.6
96.08143	2.5
97.02911	2.8
97.06520	13.8
98.37804	2.3
99.04460	3.1
105.07042	10.4
107.04945	4.8
107.08602	15.4
109.06521	64.3
109.10179	3.9
111.04455	5.3
111.05558	4.2
111.08099	9.2
113.05991	4.5
117.07027	2.6
119.08585	10.6
121.06517	23.6
121.10157	8.8
123.04490	2.8
123.08123	4.1
123.11794	2.4
125.06047	14.8
125.06824	2.4
130.93549	2.2
131.08565	4.3
133.06551	2.9
133.10141	5.3
135.08070	14.1
135.11729	6.7
137.05992	4.2
137.09618	8.6
139.07574	26.0
139.11133	3.8
145.10109	4.1
147.08061	3.3
149.06012	2.5
149.09624	24.3
151.03926	16.4
151.05048	3.6
151.07532	4.0
153.01848	6.6
153.09192	2.4
159.11685	8.2
163.11186	7.0
165.12779	2.4
167.07028	11.3
175.11258	2.8
177.12788	7.7
181.05023	4.5
187.11174	6.0
193.12265	43.2
195.06578	3.1
195.11316	3.6
205.12238	32.3
213.05531	7.9
221.07623	2.9
223.09842	2.2
223.13312	30.7
241.08665	3.1
241.14447	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	239.1281
Annotation	Stachyline D
Peak:m/z	Relative Intensity
53.03942	19.2
55.01869	17.2
55.05513	27.2
57.03424	10.3
57.07065	12.3
59.04989	10.4
65.03938	9.0
67.05508	40.5
68.16707	4.4
69.03434	61.4
69.07065	29.3
70.06587	6.7
71.04999	97.4
71.50539	6.9
79.05490	49.3
81.03428	62.0
81.07062	92.9
83.04992	44.3
83.08618	13.1
85.06546	19.1
86.09756	4.5
89.06017	12.1
91.05492	78.0
93.07047	100.0
95.04957	30.0
95.08607	43.6
97.02924	5.0
97.06519	18.4
99.04452	9.8
101.02396	7.1
105.07039	58.7
107.04946	13.1
107.08602	73.4
109.02885	11.4
109.06523	63.9
109.10170	27.8
110.07288	5.5
111.08098	11.7
113.03493	12.4
115.05447	4.4
117.06996	11.2
119.04943	33.4
119.08583	40.0
119.09317	6.8
121.06499	42.0
121.10172	25.8
123.04437	16.6
123.08083	69.4
123.11741	11.9
125.06067	4.9
125.09641	9.6
127.03920	18.3
129.06970	5.7
131.08553	8.8
133.06476	13.6
133.10138	95.6
135.08057	18.7
135.11716	12.5
136.08801	7.5
137.05994	29.2
137.09593	30.4
138.10367	22.9
139.07576	6.1
139.11183	9.5
142.07727	5.5
143.08548	6.0
145.10106	10.4
147.04424	92.3
147.11714	34.6
149.09625	5.9
151.07523	7.1
151.11191	18.4
153.01807	14.4
155.03358	10.3
157.10115	18.2
159.11693	13.1
160.08844	6.1
161.05962	14.4
161.09630	56.5
161.13280	4.8
163.11137	6.3
165.05486	81.3
165.12778	13.7
169.04980	9.5
175.11197	70.1
175.14708	6.2
177.12700	6.0
179.10675	98.2
182.05786	7.0
193.10519	5.2
193.12152	23.0
197.08099	35.2
203.10667	25.8
203.14429	6.2
211.07631	7.0
221.08081	6.6
221.11780	24.7
221.15320	13.2
239.09050	51.2
239.12715	71.9
239.18138	6.9
240.15875	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	239.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56842	0.9
53.03947	1.5
55.05506	1.5
57.07075	1.8
61.06569	0.8
65.03937	1.0
67.05515	4.3
69.03419	2.0
69.07068	4.2
70.02958	0.9
70.06599	1.4
71.04994	1.8
71.50513	1.3
72.08141	1.5
79.05488	2.5
81.03408	1.2
81.07057	5.8
83.04983	3.2
85.02926	1.1
85.06577	0.9
87.04450	1.0
89.06037	100.0
91.05485	4.1
93.07050	3.0
95.04985	3.5
95.08596	4.6
96.04517	4.7
97.02894	1.8
97.06534	1.6
99.04459	2.4
99.08103	1.6
105.07015	3.1
106.06512	1.4
107.04974	1.8
107.07037	2.6
107.08574	2.2
109.02920	1.2
109.06515	5.6
109.10153	3.0
110.06038	0.8
111.04392	1.0
113.03464	2.9
113.06023	2.1
117.07032	0.9
119.04917	1.4
119.08578	1.8
121.06479	4.4
121.10153	1.4
123.04476	1.1
123.05555	2.6
123.08058	4.1
124.03958	5.1
133.06494	1.3
133.08609	31.0
133.10170	3.3
135.04401	1.4
136.06154	1.3
137.02307	1.1
137.05927	1.6
137.09572	1.7
138.05484	1.8
138.10390	1.0
139.03885	3.0
141.09125	1.8
147.04428	2.5
147.11710	1.9
151.03941	2.1
151.09625	2.1
157.10100	1.1
159.11584	1.0
161.06085	1.3
161.09627	1.7
163.03955	1.6
164.08054	0.9
165.01813	1.1
165.05522	3.0
166.05165	1.2
175.05075	2.0
175.11232	3.5
177.11247	2.3
179.10629	1.8
183.02899	3.6
193.06157	2.9
193.08644	1.2
193.12238	2.8
197.08083	1.3
221.05508	1.3
221.11671	2.0
239.06824	1.8
239.08868	7.9
239.15083	5.0
240.08852	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.3
57.03427	0.9
58.67877	0.9
67.05502	3.3
69.03426	1.5
69.07060	3.4
70.02953	8.9
70.06587	1.6
70.63656	3.2
71.01372	1.1
71.04980	2.6
71.28438	1.0
78.03449	10.5
78.68780	1.1
79.05486	1.9
81.07072	5.3
81.07460	1.1
83.04987	1.7
83.08594	1.6
84.08120	1.4
85.02898	1.6
85.06475	1.2
88.03971	1.3
89.06036	40.7
90.31769	1.3
91.05489	2.3
93.07075	1.8
95.04957	3.5
95.08600	3.6
96.04499	87.8
97.06513	1.4
99.00824	6.8
99.04449	4.2
105.04538	1.4
105.07032	3.1
106.02933	6.5
107.04966	1.2
107.06905	1.2
107.08575	2.3
109.06522	2.8
109.10191	1.9
113.03426	1.3
113.06038	1.3
119.08555	2.5
121.06495	3.5
123.04604	1.9
123.05559	34.8
123.08043	2.5
124.03963	100.0
125.05991	1.1
133.06483	1.7
133.08606	16.1
133.10138	2.7
135.05475	1.5
136.07658	1.3
137.05893	1.1
137.09680	1.1
139.03905	1.5
141.09084	1.7
147.11594	1.7
149.06026	1.5
149.07117	11.3
151.07457	1.1
151.09683	1.2
154.62065	1.0
161.09555	1.2
165.05495	3.4
165.06909	1.5
166.44911	1.1
175.05049	42.1
175.11185	2.9
176.10704	1.7
177.11317	1.7
179.04630	6.2
179.07014	1.4
179.10666	1.1
179.15443	1.0
193.06126	51.4
193.12201	2.1
221.05614	23.6
221.07829	1.1
221.11960	1.1
239.06641	12.3
239.08931	10.8
239.11127	2.1
239.14534	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.128
Annotation	Stachyline D
Peak:m/z	Relative Intensity
53.03931	12.0
55.01860	7.5
55.05518	14.5
57.03428	5.3
57.07071	4.9
59.04990	5.9
65.03925	3.6
66.04614	2.5
67.05509	31.6
69.03436	23.5
69.07072	28.7
70.06586	2.9
70.27811	2.8
71.04967	12.3
71.50967	5.1
79.05496	40.6
81.03431	17.3
81.07060	82.5
82.06574	6.4
83.04986	55.3
83.08591	5.0
84.04504	4.4
84.08141	7.3
85.06527	7.6
89.06049	13.3
91.04959	4.4
91.05489	33.5
93.06590	3.2
93.07053	40.9
95.01309	3.5
95.04965	33.1
95.08610	19.9
97.02845	3.2
97.06548	28.0
98.06036	5.2
99.04462	8.4
103.05415	4.7
105.03395	5.2
105.07033	39.2
107.04942	12.1
107.08597	32.5
109.02896	4.0
109.06518	40.2
109.07194	5.5
109.10124	11.6
111.04422	6.5
111.08065	8.6
113.05984	9.0
117.07013	7.6
119.04942	13.9
119.08585	26.7
121.06528	19.6
121.10118	8.3
123.04407	12.3
123.08084	39.0
123.11712	6.5
125.05993	6.3
127.03910	4.2
127.07529	6.9
129.07008	4.9
131.08543	7.0
133.06474	9.7
133.08559	7.2
133.10132	39.8
135.08044	11.5
135.11658	6.7
136.08820	3.3
137.05981	48.2
137.09615	17.1
138.10376	7.8
139.97441	2.7
141.09076	6.5
142.03212	5.2
142.07767	4.8
145.06459	5.5
145.10112	6.3
147.04445	16.7
147.08022	7.2
147.11671	25.7
149.09563	9.7
151.03857	4.9
151.07524	8.6
151.11156	9.8
153.01768	7.2
155.07066	6.4
155.08414	4.2
157.10124	10.5
159.11729	4.1
160.08849	6.0
161.06004	13.5
161.09634	27.1
163.07523	7.7
163.11220	27.9
165.05504	18.3
165.09087	3.7
165.12730	5.4
169.04909	5.1
173.09622	10.5
175.07567	4.6
175.11198	48.7
177.12718	5.3
179.10713	25.1
185.09576	4.4
191.10674	10.8
193.12221	21.6
203.10701	26.7
216.04907	2.5
221.08080	2.6
221.11693	29.0
239.05458	6.0
239.09099	26.3
239.12761	100.0
240.13135	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	239.1279
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
53.03931	10.5
55.01881	15.0
55.05526	18.5
57.03433	10.3
57.07047	9.4
65.03926	10.5
67.05505	59.2
69.03427	36.6
69.07092	18.8
69.19733	82.2
71.04992	25.6
72.54319	8.3
78.06617	7.0
79.05484	33.6
81.03410	35.5
81.07058	84.9
83.04988	54.1
83.08626	13.9
85.02913	16.4
85.06530	30.9
89.06023	27.2
91.05490	45.7
93.07045	43.3
95.02467	10.5
95.04965	57.4
95.08618	90.0
97.02886	11.9
97.06544	20.2
99.04459	55.0
99.08092	43.4
105.07040	58.0
107.04958	20.2
107.08604	33.5
109.02840	10.4
109.06528	100.0
109.10130	24.3
111.04427	16.4
111.08092	15.5
113.03497	13.6
113.06004	69.4
117.07083	13.3
119.08563	40.7
121.06506	39.1
121.10173	31.8
123.04466	11.8
123.08071	61.2
123.11720	11.8
125.06001	15.3
133.06483	36.8
133.10136	56.8
135.08057	26.1
135.11678	17.1
137.05986	55.7
137.09595	23.6
138.10367	17.3
139.07477	9.2
140.08398	14.5
141.09103	57.2
147.04451	9.9
147.11708	54.6
149.09656	12.1
151.07458	12.0
151.11189	27.2
153.09062	11.9
157.10143	14.7
161.05919	9.6
161.09650	38.9
163.07565	28.5
165.05496	36.1
165.09158	17.7
175.11203	75.0
177.12810	11.8
179.10637	41.2
181.08479	8.3
193.08640	10.3
193.12239	62.9
197.08118	14.3
203.10672	41.5
216.23355	7.9
221.11687	89.6
239.08931	28.7
239.12708	44.8
249.80208	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	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
51.79276	1.4
53.03943	3.1
55.01860	2.3
55.05511	12.0
57.03013	1.5
57.03439	3.7
57.07069	2.1
59.04988	6.6
60.24216	1.3
60.58941	1.3
61.63529	1.3
63.95412	1.3
67.05507	19.4
68.47916	1.6
69.03426	14.9
69.07076	11.6
70.00877	7.3
71.04993	21.8
78.48315	1.4
79.05492	20.8
81.07056	100.0
83.04969	3.7
83.08620	6.9
85.06550	5.1
91.05486	9.0
93.07047	22.6
95.04974	7.5
95.08614	19.1
97.06524	4.5
97.10184	3.1
99.08096	38.0
105.07034	21.9
107.04975	2.9
107.08592	23.9
109.06515	20.1
109.10160	29.0
111.04462	1.9
111.08075	4.0
113.09659	1.8
117.07040	2.4
119.08610	10.9
121.06521	2.6
121.10142	15.9
123.08074	5.2
123.11714	9.8
125.09635	9.1
127.07559	24.0
127.11193	25.3
130.07768	2.2
131.08539	5.8
133.10120	28.5
134.83788	1.4
135.04338	2.5
135.11670	8.7
139.03900	2.4
139.11195	3.2
143.10738	3.9
145.10109	13.4
147.04407	2.8
147.11702	6.4
149.09669	2.1
149.13234	4.9
151.03871	3.2
151.11185	36.1
152.11531	1.6
155.10704	7.5
159.11676	8.4
161.13242	6.0
163.03900	11.4
163.07565	2.6
163.11238	4.1
163.14822	1.8
165.12715	3.2
169.12239	3.5
173.13251	1.6
175.14758	2.0
177.12790	2.6
191.03386	15.4
191.07077	2.0
191.14430	1.6
191.17986	3.2
193.08629	3.1
201.16389	5.1
209.04410	4.0
219.02840	4.2
219.13934	2.3
219.17442	12.0
237.03926	5.2
237.07562	2.9
237.11058	2.3
237.14816	3.5
237.18459	14.7
237.22057	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0395
Annotation	2-Hydroxy-3-carboxybenzalpyruvate
Peak:m/z	Relative Intensity
52.73144	0.3
53.03942	1.0
55.01867	1.0
55.05501	0.3
59.04995	0.8
65.03939	1.1
67.05497	1.0
68.99791	0.6
69.03417	0.5
69.07075	0.5
70.39791	0.3
71.05161	0.6
77.03938	0.5
79.05495	7.3
81.03414	0.3
81.07063	1.0
83.04993	0.8
85.02900	0.6
89.03921	2.7
91.05484	4.6
93.03416	0.9
93.07034	0.8
95.04961	1.4
95.08602	0.7
102.19420	0.3
105.04565	0.5
105.07040	0.8
107.04961	12.6
107.08566	0.7
109.02824	0.3
109.06533	0.5
109.10132	0.4
111.04445	1.6
111.08125	0.3
117.03383	4.6
119.04950	3.6
119.08571	0.5
120.08123	0.4
121.02850	1.2
121.06480	0.8
121.10153	0.4
123.08054	0.5
124.12830	0.3
125.05923	0.3
131.08530	0.5
132.23383	0.3
133.02809	0.5
135.04419	7.8
135.08054	0.7
137.02356	0.7
137.05933	0.4
139.03912	5.9
145.02841	4.4
145.03912	0.6
147.04416	3.3
149.02336	1.9
149.09587	0.3
149.13283	0.4
153.01814	0.9
153.05464	1.1
159.08078	0.6
162.03111	0.6
163.03911	60.1
164.04195	0.7
165.01837	0.6
165.05496	0.6
167.03392	1.8
173.02364	1.6
173.09544	0.3
175.03931	0.9
177.01819	0.4
177.12857	0.5
179.03320	0.5
181.01294	1.0
181.04936	1.6
188.86858	0.3
191.03397	100.0
192.03786	1.5
193.05084	0.4
195.02876	0.7
201.01880	0.3
208.03694	0.9
209.04456	23.9
219.02896	22.8
219.13907	0.7
231.65074	0.3
237.03951	42.2
237.07303	1.6
237.14874	1.2
238.04208	0.9
245.33928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0872
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
53.00336	0.8
53.03945	1.5
55.01852	1.3
55.05509	1.2
56.40513	0.8
56.96575	4.4
57.03426	1.0
57.07083	0.9
57.10862	0.8
62.36692	0.8
65.03938	1.4
67.05495	2.8
69.03422	1.1
69.07076	1.5
69.66749	4.5
70.06598	5.6
70.38521	0.8
71.01315	0.8
71.04999	1.0
72.08147	2.9
74.02443	6.8
75.03206	0.8
77.03916	0.8
79.05470	2.7
80.05032	1.2
81.03411	1.9
81.07047	1.5
83.05001	1.6
84.04516	1.6
84.08152	6.2
85.02887	1.7
86.09708	1.1
91.05489	8.5
93.07052	4.1
94.06576	35.9
95.04966	2.2
95.08591	1.4
97.02898	1.2
97.06527	1.3
98.21564	0.8
98.97590	4.4
99.00824	9.3
99.04457	0.8
103.05472	4.7
104.04995	7.9
105.03384	2.0
105.07031	1.0
106.06580	1.0
107.04960	2.2
107.08584	1.2
108.04473	3.2
108.08150	1.0
109.06486	0.9
110.07180	1.0
110.97533	1.3
116.98621	2.1
117.05721	1.6
118.06554	40.4
119.04941	1.5
119.08675	1.0
120.04472	15.7
120.08117	65.9
121.02847	1.9
121.06518	3.9
121.10100	0.9
122.06040	2.1
127.03870	0.8
128.04985	2.2
130.06546	3.7
131.04910	1.7
131.08588	0.9
132.04471	11.3
135.04437	0.8
136.07584	56.8
137.05963	5.5
137.07924	0.8
139.03883	0.9
145.07585	0.9
146.06018	100.0
147.04370	1.2
147.06378	2.4
148.03879	5.3
149.04904	0.8
150.05515	14.1
151.03941	1.0
153.01837	6.8
156.04448	1.8
157.07632	3.0
160.03926	0.8
161.05952	0.9
162.05501	1.2
163.03882	1.5
163.07545	2.6
163.08688	1.9
164.07091	12.6
174.05525	45.0
175.07385	1.0
177.05511	1.6
177.10284	0.8
178.08636	1.4
178.10590	3.6
180.10207	1.2
188.06038	0.9
191.03371	2.5
191.08221	2.7
191.11864	1.0
192.06563	34.8
192.10266	2.4
193.04936	0.9
193.06810	0.8
198.28969	0.7
202.04997	14.6
203.08215	1.7
209.09261	2.5
219.06436	1.2
219.11272	2.1
220.06062	11.9
220.09650	1.5
232.04866	1.2
234.34215	0.8
237.08974	6.8
237.12344	6.0
237.14560	0.8
237.22116	2.0
238.10838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0394
Annotation	2-Hydroxy-3-carboxybenzalpyruvate
Peak:m/z	Relative Intensity
53.03942	3.0
55.01867	3.4
55.05505	3.1
57.03431	1.4
57.07079	1.7
59.04993	1.1
63.02371	0.9
65.03944	3.0
67.05516	5.9
68.99801	1.0
69.03434	7.9
69.07065	3.4
69.80502	1.2
69.80914	3.2
71.01350	2.5
71.04996	5.2
74.86690	0.8
77.03915	1.1
79.05499	17.5
81.03410	1.0
81.07061	21.2
81.69535	0.9
83.04983	3.7
83.08627	1.1
85.06534	2.1
89.03897	4.2
91.05486	9.8
93.03378	1.3
93.07056	7.1
95.04398	1.0
95.04952	4.3
95.08619	6.1
97.02887	1.5
97.06523	3.3
97.10180	1.1
99.08095	6.4
103.05519	1.4
105.04539	1.2
105.07052	5.6
107.04964	18.2
107.08595	11.6
109.06534	5.3
109.10163	6.5
111.04455	4.2
111.08076	1.8
115.05450	0.9
117.03392	4.5
118.04134	0.9
119.04937	7.6
119.08558	2.8
121.02910	1.0
121.06538	2.3
121.10145	6.1
123.08105	1.5
123.11694	1.5
125.09644	1.6
127.07556	3.5
127.11209	3.3
131.08583	2.4
133.10141	15.4
135.04428	12.4
135.08063	2.6
135.11700	2.5
137.02328	1.3
137.09637	9.6
139.03909	11.6
139.11183	1.1
145.02843	6.3
145.06491	1.6
145.10130	3.7
147.04411	11.1
147.11690	2.3
149.09618	1.2
149.13264	2.9
150.81964	0.8
151.03894	1.4
151.11224	6.6
153.01839	3.1
153.02975	1.2
153.05490	3.9
155.10701	1.4
161.13203	1.5
162.03226	1.5
163.03922	76.6
163.11168	2.0
163.14809	1.3
164.04227	1.4
165.01842	1.8
165.05579	1.4
167.03537	4.3
173.02367	2.5
173.13260	1.3
175.03915	4.0
177.01845	1.1
181.04965	4.1
191.03403	100.0
191.14320	4.4
191.17955	0.9
192.03824	1.0
193.05026	1.1
201.16347	1.6
205.30716	0.8
208.03619	1.8
209.04466	22.8
219.02907	36.1
219.13951	1.1
219.17429	2.0
237.03964	56.8
237.07454	4.6
237.14783	5.5
237.18573	1.7
237.22041	1.3
250.39552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03943	0.9
55.05525	0.3
57.07083	0.4
64.60538	0.3
65.85288	0.3
69.25948	1.3
69.26369	1.3
69.51508	0.3
70.06577	0.3
70.51851	0.3
72.08160	7.0
79.05496	0.4
81.03419	0.3
81.07046	0.8
85.16888	0.3
91.05479	6.1
93.06481	0.6
93.07047	9.7
95.04982	1.3
101.72955	0.2
103.05470	6.0
105.03390	1.1
105.04510	0.5
107.04920	0.3
109.02776	0.3
116.10751	1.4
119.04948	0.9
120.05280	0.6
121.06506	100.0
122.06841	0.8
131.40092	0.3
133.03917	0.4
137.05925	0.4
147.04425	2.3
148.04781	2.4
154.02231	0.3
162.18945	0.3
192.13838	43.3
193.14113	0.6
216.00131	0.3
219.12212	0.5
236.06267	0.3
236.09189	0.6
236.12784	0.5
236.16461	7.6
239.30658	0.3
251.01675	0.3
251.78543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
59.27012	0.6
69.88689	3.4
71.27515	0.6
71.40273	0.6
91.05484	2.5
93.07024	0.8
98.20821	0.9
100.11282	0.8
100.68241	0.7
103.05473	12.8
115.05430	1.4
117.07031	11.5
123.04441	5.2
131.04941	39.0
131.08600	2.4
135.08018	0.7
137.06010	6.6
144.05666	1.0
145.06488	20.0
149.05989	100.0
150.06308	1.2
159.08064	4.1
162.06786	1.0
163.07558	33.9
177.09135	2.7
207.17821	0.6
219.13812	53.3
220.14157	1.0
236.16463	59.4
237.16739	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0393
Annotation	2-Hydroxy-3-carboxybenzalpyruvate
Peak:m/z	Relative Intensity
55.01870	3.4
55.05520	0.8
61.31127	0.6
65.03941	2.2
67.05499	2.4
68.99794	1.6
69.03442	1.0
69.07085	1.0
70.29784	2.5
71.01357	2.7
77.03961	1.1
79.05496	9.5
81.03417	1.1
81.07067	1.6
83.04987	3.0
85.59718	0.6
89.03918	5.0
91.04980	0.9
91.05490	10.1
93.03420	1.2
93.07047	1.1
95.05000	3.7
95.08614	2.1
100.44369	0.6
105.04465	0.7
105.07035	0.9
107.04963	16.8
107.05638	1.3
107.08625	1.1
109.06510	0.9
109.10152	1.5
111.04458	5.3
111.08114	0.7
115.05460	0.8
117.03395	4.5
119.04955	9.3
119.08557	0.6
121.02888	1.7
123.11693	0.7
127.03850	0.7
135.04420	15.6
137.02356	1.0
139.03902	14.6
145.02832	7.4
145.03883	0.9
145.06569	1.6
147.04424	14.8
149.02359	1.7
151.11134	0.9
153.01842	5.5
153.05569	0.8
162.03183	0.8
163.03915	91.6
164.04285	1.2
165.01851	2.3
165.05484	2.1
167.03400	4.6
173.02397	2.3
173.06006	0.8
175.03940	4.3
179.03471	1.4
181.04979	4.6
191.03403	100.0
192.03854	1.7
193.04947	1.1
195.02914	1.3
206.02165	0.9
208.03740	1.7
209.04457	30.8
219.02904	43.8
237.03957	59.7
237.07451	5.0
238.04411	0.9
257.20352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03947	4.2
55.01871	4.2
55.05513	11.5
57.07079	21.1
59.04995	3.1
65.03941	2.2
67.05511	16.3
69.03417	5.4
69.07074	10.6
69.91965	3.8
69.92355	4.0
71.04998	25.8
73.06546	3.2
79.05492	17.9
81.07062	34.2
83.04977	7.1
83.08611	7.5
85.06532	2.4
89.06013	7.3
91.05479	23.4
93.06480	2.7
93.07047	35.4
95.04977	12.3
95.08615	31.9
97.06517	6.3
97.10196	3.8
99.08104	2.7
103.05458	3.1
105.07040	58.8
107.04951	3.2
107.08602	76.9
109.06519	9.3
109.10157	37.0
111.08093	19.7
115.05463	19.1
117.07014	6.5
119.04948	4.6
119.08582	42.3
121.06506	8.6
121.10137	24.9
122.06821	2.5
123.04436	3.8
123.08064	5.2
123.11727	4.8
125.09645	28.7
127.07595	2.1
130.18420	2.2
131.08583	15.6
133.02866	3.4
133.06509	17.3
133.10130	31.5
135.07991	3.4
135.11728	20.1
137.02310	2.0
137.05948	2.6
139.03918	9.5
139.07584	2.7
142.07910	2.1
143.04941	9.1
143.08609	4.9
145.06474	2.9
145.10115	20.5
147.04433	14.9
147.08040	7.5
147.11694	73.2
148.83870	1.8
149.09647	6.3
149.13284	4.6
151.11140	2.9
153.01837	11.4
153.12691	3.4
157.10104	5.4
159.11710	7.0
161.05992	35.0
161.09668	5.8
161.13261	7.0
163.03912	1.9
163.07503	1.9
163.11171	8.0
165.12808	9.9
170.68497	1.8
171.04376	8.7
171.11688	3.1
173.13266	6.0
175.03925	14.5
175.07571	2.2
175.11200	13.8
175.14810	13.1
177.12804	2.0
179.03416	6.4
179.07040	15.2
179.10655	13.9
189.05499	35.0
189.12755	4.0
189.16391	43.9
191.07098	3.2
193.04968	32.2
193.15886	5.2
199.03918	4.0
199.14812	6.9
207.02902	4.2
207.06560	17.0
217.04971	42.3
217.07057	3.7
217.12532	2.4
217.15877	39.9
217.19312	2.2
235.02467	4.3
235.06036	45.8
235.09583	6.2
235.13307	4.4
235.16931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
52.61611	1.1
53.03927	3.2
55.01879	9.1
55.05512	6.9
61.74947	1.2
65.03919	3.6
67.05505	11.9
69.03425	6.5
69.07045	4.8
70.20951	4.7
71.04977	4.9
76.92741	1.1
77.03938	1.4
79.05073	1.7
79.05495	22.7
81.03405	2.8
81.07053	14.3
83.04983	13.4
85.06509	1.2
86.51986	1.2
91.05489	29.9
93.06504	1.6
93.07049	25.6
95.04462	1.5
95.04979	17.1
95.08601	14.0
97.02871	2.0
97.06532	7.2
99.04443	2.8
103.04726	1.1
103.05442	4.9
105.07034	55.7
107.04948	10.7
107.08588	11.6
109.02834	1.7
109.06512	17.8
109.10129	4.1
111.04429	1.4
115.05437	4.3
116.06213	3.3
117.07016	20.7
119.04935	11.8
119.08600	16.9
121.02856	1.6
121.06503	40.3
121.10106	4.0
122.06824	1.4
123.04448	1.9
123.08099	2.0
123.11668	1.4
125.05994	2.5
128.06264	6.9
129.07007	11.7
130.07813	9.7
131.04918	5.6
131.08575	25.5
133.06487	10.9
133.10132	15.0
135.04401	3.6
135.08072	6.9
135.11658	3.3
136.06166	1.3
137.05956	3.9
137.09567	1.7
137.39743	1.1
139.07533	1.5
141.06953	6.4
143.08582	11.7
144.05663	3.5
144.09308	5.3
145.06500	18.0
145.10130	58.5
146.07230	2.6
147.08022	5.6
147.11731	5.5
149.05948	3.3
149.09563	2.6
151.07463	2.0
153.06970	3.4
154.07802	7.1
155.06042	1.4
155.08585	9.5
156.09288	3.5
157.06444	2.8
157.10098	3.8
158.07281	21.3
159.04396	2.6
159.06845	2.3
159.08060	25.5
159.11705	27.8
160.08757	4.2
160.11948	1.3
161.09625	9.4
161.13237	1.9
162.09969	1.2
163.03897	3.0
163.07541	2.7
163.11206	2.9
167.08508	1.5
169.10120	12.9
171.08008	5.7
171.11679	10.1
172.08795	8.3
173.09630	100.0
173.13214	10.1
175.07526	2.8
175.11124	1.9
177.05461	3.2
177.09056	5.1
177.12798	1.7
178.07733	2.2
178.81775	1.2
179.08614	7.2
181.06424	2.6
182.07242	4.9
187.07591	2.2
187.11200	54.2
187.14771	10.9
189.09137	2.6
189.12691	2.6
189.16264	1.4
191.07005	3.2
191.10658	7.3
197.09578	12.3
197.13239	1.4
205.04959	3.2
205.12244	4.4
215.10672	42.8
215.14078	8.7
215.17879	2.5
231.06546	3.2
233.04369	4.3
233.08186	20.5
233.11678	61.4
233.15387	20.3
233.18993	5.4
233.22888	1.5
234.20610	1.2
246.05016	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1329
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
51.86222	2.3
53.03943	7.4
55.01880	12.2
55.05515	16.5
55.05743	3.4
57.07078	27.2
62.39400	2.4
63.05922	2.7
65.03961	2.9
67.05515	26.6
69.03424	7.2
69.07072	12.4
70.76274	2.7
70.76590	5.1
71.05004	11.1
79.05500	63.4
81.03429	3.7
81.07059	84.7
83.05004	12.7
85.06554	4.8
91.05483	46.5
93.07052	64.3
95.04966	19.6
95.08617	25.9
97.06540	23.1
98.97581	6.0
99.04471	7.9
101.06002	4.1
103.05443	4.9
105.07043	69.7
107.04965	20.7
107.08601	35.7
109.06525	59.2
109.07259	3.0
109.10181	7.4
111.08073	4.7
111.43419	2.2
115.05426	3.5
117.07047	7.9
119.04939	5.2
119.08595	40.7
121.06514	100.0
121.07388	5.1
121.10144	11.2
123.04444	7.2
123.08071	8.8
123.11739	6.2
125.06004	6.7
127.07584	17.0
128.06242	7.7
129.07018	14.1
130.01898	2.3
130.07835	2.4
131.08575	19.8
133.06546	13.5
133.10139	29.1
135.04449	16.3
135.08070	25.1
135.11745	6.9
137.06001	16.2
137.09608	4.5
139.03935	3.5
139.07552	5.7
141.07045	5.1
142.07779	14.7
143.04884	2.2
143.08578	25.5
145.06500	6.1
145.10167	16.4
147.04437	4.5
147.08104	14.4
147.09081	2.5
147.11700	30.5
149.09596	4.2
149.13219	2.9
151.11147	2.3
155.08492	3.2
156.09355	10.7
157.06551	3.6
157.10149	40.9
159.08093	3.5
159.11717	5.2
160.08792	2.8
161.06012	5.6
161.09642	10.7
161.13226	17.7
163.03958	3.3
163.07579	3.2
163.11122	2.8
165.07008	3.6
166.07826	5.7
170.02344	2.5
171.11700	34.3
173.09639	7.0
173.13297	3.6
175.07570	7.6
175.11194	47.4
175.14821	5.4
179.10722	20.7
181.10136	5.8
184.08853	5.5
187.78909	2.8
189.05368	2.6
189.09175	4.9
189.12753	43.5
189.16415	4.8
191.07054	3.5
194.18716	2.1
199.11205	40.7
207.06613	2.9
207.13814	2.2
217.05023	2.4
217.12262	73.8
217.15723	4.6
217.19453	4.2
223.09132	4.0
235.05991	8.8
235.09615	7.8
235.10742	3.1
235.13278	58.4
235.16928	72.5
235.20641	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	233.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
53.46474	0.4
55.01880	2.6
55.05523	0.4
57.76869	0.4
65.03934	1.6
67.05507	2.3
69.03431	0.7
69.07072	30.2
69.68404	2.4
79.05068	0.6
79.05499	7.6
81.07059	1.4
83.04993	0.5
91.05487	38.4
93.07059	0.6
95.05006	0.9
95.08640	0.5
97.06538	23.4
97.15745	0.5
98.20773	0.4
105.07026	1.4
107.04922	2.5
107.08619	0.5
109.06523	1.7
116.06181	0.5
117.07015	0.5
119.04952	19.8
119.08600	0.7
120.69015	0.4
121.06500	1.1
123.03709	0.4
128.06219	0.9
129.07008	1.0
131.04945	1.2
131.08592	0.6
135.04411	0.8
136.05231	2.0
137.05984	100.0
138.06308	1.2
144.05716	0.5
145.06494	0.9
145.10164	1.8
149.06000	1.3
157.06456	0.6
158.07307	0.7
159.04395	0.8
159.11659	1.0
161.06013	0.4
163.03915	3.3
163.07579	0.5
169.10124	0.4
173.05983	1.1
173.09659	1.3
174.06818	0.6
175.07524	0.4
177.05519	0.8
187.07591	0.9
187.11168	1.0
189.09062	1.1
191.06982	0.4
205.04915	0.5
207.37323	0.4
215.07037	0.8
215.10684	1.5
233.04486	0.5
233.08147	2.3
233.11725	7.1
233.15437	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1174
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
53.03946	0.8
53.98132	0.3
55.01870	2.9
57.03448	0.4
64.73849	0.4
65.03940	2.0
67.05521	2.6
69.03425	0.5
69.07073	25.1
69.57774	2.2
70.06579	0.8
71.04985	0.3
77.32630	0.4
79.05495	9.2
81.07049	1.5
82.30485	0.3
83.04966	0.7
88.03989	1.5
91.05487	45.2
93.07080	0.6
95.04964	0.7
97.06535	30.2
98.97568	0.4
103.05494	0.5
105.04480	0.4
105.07037	0.6
107.04951	1.6
109.06533	2.0
117.07021	0.6
119.04948	23.9
119.08597	0.6
121.06538	2.0
123.04426	0.4
131.04941	0.6
131.08540	0.4
133.10089	0.5
135.04454	1.1
136.05228	1.6
137.05984	100.0
138.06320	1.6
145.06462	0.5
145.10107	0.6
147.04424	0.6
147.11758	0.5
149.05975	1.3
154.72801	0.3
159.04437	0.5
159.08073	0.4
159.11726	0.7
160.03909	0.4
161.06015	0.6
163.03926	3.0
163.07616	0.6
173.06009	0.8
173.09648	0.8
175.07623	0.7
187.11230	1.0
189.09103	0.8
191.07036	0.4
193.19255	0.4
205.04997	0.5
215.10738	1.4
233.04555	0.5
233.08087	1.6
233.11726	7.4
233.15433	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66431	7.7
56.26206	7.8
70.06567	18.5
71.14772	17.0
90.18182	8.1
108.86357	7.7
126.09746	9.0
215.51753	9.9
223.85799	8.9
233.06349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1174
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03945	5.0
55.01860	10.9
55.05502	10.4
65.03909	2.9
67.05511	14.2
69.03434	14.3
69.07056	5.1
71.04985	6.3
71.51089	3.6
79.05498	55.5
81.03419	3.2
81.07059	12.3
83.04980	5.2
83.08614	4.7
85.02897	2.8
85.06534	3.3
91.05489	31.2
93.07056	42.8
95.04984	18.0
95.08607	13.3
97.02905	14.6
97.06527	9.4
99.04456	5.9
103.05490	3.6
105.07039	57.0
107.04964	45.3
107.08593	17.4
109.06500	7.1
109.10160	4.5
111.08109	2.6
115.05438	5.7
117.07018	18.9
119.04927	16.3
119.08599	27.3
121.06508	54.2
121.10155	20.9
123.04417	5.8
123.08069	6.6
125.09632	3.5
128.06203	7.5
129.07001	12.3
130.07782	8.5
131.04898	5.3
131.08578	34.9
133.06540	12.1
133.10182	12.7
135.04401	3.5
135.08038	9.0
135.11739	5.3
137.05988	4.3
137.09604	6.9
139.03902	7.0
140.78014	2.2
141.06993	7.7
142.07779	5.6
143.08549	9.6
144.05711	2.5
144.09363	4.5
145.06517	16.2
145.09053	4.4
145.10138	60.5
146.07249	3.3
147.08009	17.7
147.11700	13.0
149.09641	16.3
149.13281	3.9
153.06998	2.9
154.07777	7.4
155.08540	10.5
156.09406	3.2
157.10136	10.2
158.07281	20.6
158.10863	2.6
159.08083	23.7
159.11687	23.8
160.08836	8.8
161.05923	4.0
161.09579	5.4
163.07614	2.7
163.11200	5.9
167.08482	2.7
169.10155	13.3
171.08058	4.2
171.11623	5.2
172.08846	7.6
173.06059	2.8
173.09636	100.0
173.13243	12.8
175.11221	13.7
177.05486	3.6
177.09175	3.1
179.08554	7.4
181.06548	3.3
182.07291	2.4
187.07623	4.2
187.11214	62.8
187.14775	8.4
189.12740	4.6
191.07060	6.7
191.10635	3.7
191.14328	34.0
197.09579	17.3
197.13234	3.8
205.08633	2.8
215.06750	2.3
215.10686	43.3
215.14252	6.1
215.17964	3.1
219.54475	3.1
231.06534	8.0
233.04405	6.3
233.08125	72.0
233.11726	92.5
233.15355	81.3
233.19048	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	232.1333
Annotation	Indeloxazine
Peak:m/z	Relative Intensity
55.01863	4.4
55.05487	1.5
57.07070	1.6
70.06584	4.8
71.50002	2.6
81.07073	3.5
84.04488	5.5
91.05474	3.1
93.07010	2.1
97.70865	1.4
101.02376	1.5
102.05531	2.1
103.05448	2.9
105.06995	2.8
107.04939	1.7
112.02193	3.2
115.05469	7.9
117.06983	1.9
118.18595	1.4
119.08582	1.9
121.06517	7.4
128.06233	55.1
130.05023	1.9
130.06532	2.3
133.06502	2.8
134.05974	1.9
136.06148	1.7
137.06033	2.6
141.06996	5.9
143.04915	1.7
143.08566	92.5
145.06474	6.9
147.04434	4.7
148.06026	3.7
149.06029	2.5
153.07013	3.2
154.07756	3.7
155.06027	1.9
158.02675	2.2
158.53491	1.3
160.07628	1.6
161.05994	3.1
161.09653	3.4
162.05518	2.6
164.80226	1.5
168.04791	2.0
169.10159	4.3
171.08057	97.7
173.06000	21.5
174.12868	1.5
176.07069	2.3
177.07867	4.1
185.05934	1.7
186.06766	1.8
186.09111	1.8
187.07536	2.9
187.11285	2.1
189.09106	25.1
202.08646	4.6
214.12285	1.7
215.10689	17.3
232.09691	3.5
232.13345	100.0
233.04486	2.3
233.08119	3.5
233.11533	2.1
233.13684	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	230.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81268	0.9
55.01875	2.2
55.05505	1.8
56.96560	1.8
57.03421	3.1
67.05506	6.3
68.05018	3.0
69.03426	2.0
69.07067	7.9
70.06593	37.9
70.55421	1.1
70.85503	2.4
71.04996	7.2
71.06917	6.8
72.08150	10.5
72.93768	1.2
79.05477	3.0
80.05019	1.3
81.03401	2.4
81.07056	4.7
82.06602	5.6
83.04990	1.8
84.04522	5.9
84.08134	3.5
85.02905	1.3
85.06550	1.8
86.06052	1.7
86.09705	7.3
88.07644	1.1
91.05484	3.7
93.07028	5.3
94.06577	14.9
95.04994	5.6
95.08601	2.9
96.08135	2.6
97.02898	2.8
97.06537	1.7
98.06043	3.2
99.04417	1.1
103.05447	1.6
105.07030	3.5
106.06538	3.4
107.08595	3.1
108.08096	4.9
109.06506	3.5
110.06053	14.0
110.09683	1.5
111.06843	2.3
111.08045	2.8
112.07596	3.0
113.06014	2.8
113.96420	1.5
114.05513	2.2
116.07097	2.2
117.06920	1.1
119.08543	1.1
120.08092	4.6
121.06509	14.3
122.06033	25.9
122.06895	2.3
122.09670	5.2
123.04428	2.0
123.06779	3.0
124.07586	11.3
125.08434	1.5
126.05456	1.1
126.09123	3.1
129.10260	1.1
130.05031	1.8
131.07317	1.0
131.08551	2.9
132.08058	1.5
133.08864	2.5
134.06062	1.2
134.08148	5.3
134.09654	5.8
135.08035	3.4
136.07568	11.6
136.11212	3.1
138.09126	10.5
138.12785	1.9
139.07535	4.3
140.07071	35.7
140.10715	1.6
142.08600	2.7
143.08109	1.7
148.07549	2.0
148.11266	7.3
149.09602	4.5
150.09100	2.6
152.07104	1.8
153.01851	1.8
154.08635	48.2
156.10213	2.2
158.09583	1.4
161.08340	1.9
166.08652	3.1
166.12282	10.8
167.10683	3.9
168.02481	1.1
168.10167	3.3
176.10710	8.1
177.09100	2.2
184.09615	2.6
184.13358	3.5
184.15302	1.2
185.66405	1.0
188.10660	2.1
194.11781	24.5
195.10194	1.1
197.60335	1.0
201.07802	3.8
212.07211	1.7
212.09192	3.0
212.12823	18.4
230.01134	2.4
230.04819	1.6
230.08101	4.1
230.10063	2.5
230.11913	6.5
230.13861	100.0
230.15723	5.5
239.45105	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1335
Annotation	Leiokinine A
Peak:m/z	Relative Intensity
50.66532	0.3
55.05497	0.8
67.05495	1.0
69.03432	0.6
69.07057	0.6
70.06590	0.5
77.70827	0.3
79.05490	0.4
79.06178	0.3
81.03371	0.4
81.07053	0.8
91.05481	3.5
93.07049	1.0
94.72748	0.4
95.04976	0.6
95.08616	0.6
105.07048	5.3
107.05027	0.4
107.08611	0.6
108.08132	1.1
110.06036	0.5
111.06838	0.4
115.05448	0.6
117.07034	2.5
118.64400	0.3
119.04967	0.5
119.08594	3.7
120.08115	0.4
121.06517	1.3
124.53560	0.4
126.59648	0.3
128.06206	0.9
128.41322	0.3
129.07018	2.7
130.07793	1.3
131.08589	5.4
132.08061	0.5
133.06555	0.4
133.10139	3.1
134.09636	0.6
135.08064	0.7
136.07584	3.3
141.07004	0.9
142.07742	0.5
143.08568	1.3
144.05641	0.6
144.08218	0.5
144.09323	2.4
145.06502	3.1
145.10107	3.0
146.06046	0.5
146.07251	1.3
146.09637	1.1
147.06682	0.3
147.08049	0.8
147.10547	0.5
147.11723	1.1
148.07567	0.4
149.09630	0.4
154.07716	0.7
156.09372	0.6
156.35236	0.4
157.06436	0.5
157.08879	0.8
157.10091	0.3
158.07256	1.7
158.09583	0.7
159.08076	4.4
159.11710	7.2
160.07584	3.6
160.08858	4.9
161.08359	3.6
161.09627	10.0
161.11923	0.7
161.13275	1.1
162.09152	2.6
162.12766	1.9
163.11177	1.8
169.10139	1.0
170.09712	0.6
171.08130	0.3
171.10474	1.6
171.11688	0.4
172.08823	2.0
172.11282	0.6
173.09628	2.9
174.09134	4.5
174.10449	1.0
175.09940	3.8
176.10757	1.0
176.14346	1.7
178.12201	0.3
186.06702	0.6
186.12785	1.4
187.11198	7.9
188.07034	0.6
188.10703	1.2
189.11411	3.4
189.12834	0.8
190.12286	8.2
197.09630	0.5
200.08400	0.7
202.08673	1.3
203.09412	2.5
204.10201	0.9
204.13841	7.0
214.12309	1.4
215.10678	3.1
217.10973	1.2
232.13347	100.0
233.08107	1.2
233.11581	0.6
233.13603	1.5
233.15623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.05513	9.0
56.27061	1.3
57.03192	1.7
57.03441	21.8
57.07076	2.1
58.90840	1.3
59.04999	1.4
64.81533	1.1
67.05508	25.7
69.03446	1.6
69.07059	5.4
70.06586	3.5
70.17078	2.2
70.17424	4.3
71.04982	4.9
79.05494	16.6
81.03416	3.6
81.07052	19.9
83.04961	2.1
83.08618	3.6
85.06545	11.2
86.62479	1.2
91.05499	11.1
93.07048	46.1
95.04960	3.1
95.08620	20.7
97.02953	1.8
97.06518	2.6
99.08112	4.0
101.05972	1.6
105.07032	26.0
107.04899	1.8
107.08607	7.8
109.06509	2.8
109.10169	29.7
111.08041	2.3
117.07026	2.1
119.08589	50.2
121.06509	2.7
121.10150	100.0
122.10503	1.5
123.08083	3.0
123.11713	3.9
127.03922	2.1
127.11135	1.7
129.07051	1.5
131.08539	2.5
133.10152	12.2
135.11691	11.8
137.09581	2.2
137.13251	2.2
139.11166	3.8
141.06999	2.7
141.09132	3.6
142.07787	1.7
143.08539	1.6
145.06506	2.2
145.10136	4.8
147.08083	4.0
147.11702	7.5
149.13260	7.5
155.08600	1.9
155.10640	2.8
156.29190	1.5
159.08046	2.4
159.11688	2.4
161.07462	1.4
169.10107	1.6
172.08813	1.5
173.09601	3.7
173.11740	5.7
173.13312	3.7
175.14847	42.3
183.08058	2.6
183.11650	2.0
187.11125	2.3
193.15897	13.9
201.05569	1.3
201.09087	1.5
203.57498	1.2
211.16852	2.9
229.04962	4.2
229.08676	3.6
229.12244	10.0
229.14059	2.6
229.15894	4.1
229.19443	1.7
229.23425	1.6
238.93639	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	Pro Ile
Peak:m/z	Relative Intensity
55.01895	0.4
56.96573	0.5
58.06319	0.3
58.06605	6.2
59.07388	1.2
60.08167	7.6
68.05038	1.2
70.06597	41.6
70.10207	1.3
70.10511	0.3
72.08154	0.4
77.64097	0.3
79.03300	0.3
84.08137	0.6
85.08484	0.5
94.99702	0.2
96.08143	1.8
97.08928	0.4
98.06064	0.9
98.97591	1.8
100.07641	0.3
101.00897	1.4
106.87619	0.2
114.05530	4.3
114.06357	0.3
114.06673	0.4
114.09166	2.1
116.07100	1.5
116.98647	0.5
119.01925	2.0
119.28178	0.3
124.07601	4.1
126.09166	0.8
126.98796	0.3
131.01921	0.3
142.08643	34.6
158.08136	0.6
170.08139	1.7
183.15025	0.3
187.00928	0.7
215.00320	0.4
229.15488	100.0
230.15831	1.5
233.93648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.03939	5.4
55.01860	3.3
55.05511	15.8
57.03426	8.3
57.07077	3.9
59.04989	3.9
64.56702	1.9
65.03950	3.5
65.04406	1.8
67.05508	62.0
69.03432	26.8
69.07076	11.9
69.95469	9.4
70.06596	2.1
71.04996	3.2
79.05492	8.9
81.03403	2.3
81.07061	48.6
83.04987	9.8
83.08629	9.3
85.06530	5.8
91.05489	23.6
93.07056	20.5
95.04975	2.5
95.08600	15.1
97.06535	3.4
99.08011	2.6
101.05968	1.7
105.07035	30.8
105.53869	1.9
107.05012	2.1
107.08593	8.1
109.02895	20.4
109.06528	4.9
109.09471	3.4
109.10168	40.6
117.07036	5.2
119.08602	26.5
119.55005	1.7
121.06520	10.7
121.10152	17.6
123.08070	3.5
123.11705	18.4
127.03929	3.4
127.07499	2.2
127.11144	2.4
128.06194	3.7
129.07013	7.1
131.08591	18.6
133.06491	1.9
133.10153	16.1
135.08054	2.4
137.05997	3.0
137.09528	2.1
137.13338	1.9
141.06990	2.4
141.15845	1.8
142.07765	3.9
143.08551	14.5
144.05850	1.9
144.09331	6.5
145.06502	5.9
145.10167	13.9
147.08066	2.8
147.10522	3.5
147.11673	40.5
153.07011	3.7
155.08592	9.2
155.10652	3.7
157.06520	2.1
157.10121	6.1
158.07210	2.6
158.10934	16.0
158.23790	1.8
159.08084	10.2
159.11696	14.8
165.12733	21.3
167.14296	2.2
168.09402	5.2
169.10091	4.8
170.10953	7.4
171.08076	6.6
172.08853	8.9
173.09644	41.9
173.11780	10.7
173.13280	49.5
183.11684	8.4
185.09641	2.8
185.13309	2.6
186.10367	28.4
187.07582	5.5
187.11197	68.3
188.11494	3.0
193.10173	4.1
193.12259	2.9
196.08809	4.4
199.07549	2.9
201.09164	4.0
201.12761	56.5
211.07465	2.0
211.11255	14.6
211.15053	2.6
211.16949	2.2
214.09904	5.8
229.05022	2.9
229.08629	8.0
229.12262	100.0
229.14285	11.2
229.15967	7.8
229.19501	5.2
229.23500	4.9
245.16531	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05513	10.5
55.63393	0.6
56.05846	1.4
57.03151	1.0
57.03441	19.3
57.07078	2.1
57.23673	0.7
59.05013	5.0
64.30621	0.7
65.03941	2.2
65.36088	0.6
65.37901	0.6
67.05508	100.0
68.05840	2.8
68.55566	0.8
69.03434	0.9
69.07073	3.0
70.06582	1.2
70.17316	2.6
71.05000	3.7
77.14899	0.7
79.05492	2.9
81.07064	17.4
82.07394	2.1
83.08618	9.7
85.06570	3.2
85.27528	0.7
91.05480	7.6
93.07041	4.7
95.04990	1.0
95.08618	10.2
96.08955	4.1
97.06572	1.0
98.10538	0.8
99.04475	0.7
105.07053	1.0
107.08587	3.1
109.06477	0.8
109.10163	81.6
110.10481	2.9
111.08102	3.3
119.08581	6.9
120.08846	0.6
121.06517	1.0
124.14040	0.7
125.41751	0.7
127.11224	0.8
131.08482	0.9
134.10384	0.7
137.09590	3.8
145.10130	1.4
155.10658	6.5
173.09544	1.0
173.11752	19.3
173.13190	0.8
176.15189	3.1
186.13541	0.6
187.14774	1.0
190.81938	0.7
192.95586	0.7
194.16191	0.8
215.26590	0.7
229.04945	0.8
229.14328	26.1
229.19560	2.4
229.23523	1.3
235.31686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05516	9.8
57.03440	18.6
57.07082	1.3
59.05013	5.2
60.53533	0.6
65.03944	1.3
67.05509	100.0
68.05838	0.8
69.03444	1.0
69.07061	1.6
69.32391	1.3
69.32806	4.2
71.04996	3.3
79.05506	1.4
81.07063	14.4
83.08625	6.7
85.06548	3.7
90.94767	0.6
91.05481	6.2
93.07047	3.1
95.08617	4.3
95.78428	0.6
97.06509	0.8
98.21526	1.2
99.08018	0.6
105.07039	0.7
107.08575	1.7
109.10163	83.7
110.10484	1.4
111.08075	3.4
117.89079	0.6
119.08575	6.2
137.09633	3.2
145.10156	0.8
155.10680	7.9
173.11746	18.2
196.37883	0.6
229.14368	23.3
229.19495	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.68386	3.8
55.01870	4.4
55.05502	13.3
57.03447	23.1
57.07067	7.8
59.04988	5.1
67.05507	100.0
69.03421	3.8
69.07073	9.0
70.06595	12.6
71.04985	4.0
71.51485	6.1
79.05488	7.6
81.07054	28.2
83.08634	3.3
88.07626	5.1
91.05491	20.3
91.25346	3.4
93.07051	11.1
95.08614	12.4
97.06511	4.7
99.08135	3.3
102.09160	4.2
103.09519	5.7
105.07045	16.7
107.08589	4.7
109.06531	5.1
109.10159	60.8
119.08576	17.2
121.06501	7.8
121.10122	5.3
129.06976	4.3
131.08582	5.2
133.10097	4.6
137.09599	5.0
142.44994	3.5
145.10159	5.2
147.11688	26.3
150.28740	3.2
155.10683	6.6
157.10112	7.5
159.11674	4.5
165.12788	7.7
173.11809	17.5
173.13132	6.2
175.11151	8.3
193.12360	4.7
194.15334	3.7
205.98740	5.0
229.05026	7.6
229.08667	5.5
229.12311	6.4
229.14351	32.0
229.16277	4.6
229.19576	11.0
229.23547	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	2.5
56.96565	11.9
63.08855	0.6
67.05508	1.0
69.03397	0.9
69.65377	4.6
69.65703	1.2
70.06608	3.4
71.95275	2.1
82.06607	1.8
84.08144	100.0
84.96038	2.0
85.08466	1.1
88.42076	0.8
97.02892	0.9
98.97585	84.0
101.00866	1.5
116.97830	1.6
116.98622	22.9
119.01930	1.2
134.99634	4.1
140.00128	0.7
142.08646	1.5
150.02254	2.5
168.03348	7.0
182.04953	4.1
182.06425	1.0
184.02988	0.7
186.04384	6.3
200.05946	8.5
202.03864	1.4
204.05478	5.4
210.04388	1.7
218.06929	1.7
222.06580	1.5
228.05420	38.9
229.15514	7.0
246.06485	32.5
249.34079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	9.7
57.03444	17.4
57.07066	2.0
59.04736	0.7
59.05005	4.3
65.03951	2.0
67.05508	100.0
68.05851	1.0
69.07062	3.0
69.85947	3.0
70.03481	0.8
70.06596	1.4
71.04994	3.3
72.08144	0.9
79.05494	3.2
81.07065	13.9
83.08637	7.4
85.06541	3.9
88.00436	0.8
88.07622	1.1
91.05486	8.0
93.07072	4.3
94.46978	0.7
95.04936	0.9
95.08630	5.7
99.02417	0.8
105.07030	1.6
107.08586	3.1
109.10164	85.2
110.10529	1.0
111.08080	4.4
117.07013	1.9
118.69667	0.7
119.08594	7.3
123.98092	0.7
131.08575	1.3
133.10085	0.9
137.09578	3.1
141.86230	0.7
145.10088	1.7
147.11697	1.4
155.10652	6.6
159.08154	0.8
159.11670	1.7
169.10023	0.8
173.09499	0.9
173.11758	20.1
173.13155	1.8
175.22026	0.7
183.11597	1.0
201.09245	1.1
211.14685	1.0
229.04933	1.8
229.12408	1.8
229.14268	26.5
229.16522	1.4
229.19560	3.6
229.23557	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	228.0503
Annotation	Stizolobate
Peak:m/z	Relative Intensity
55.01884	1.5
55.05508	0.6
56.05025	0.5
56.96575	1.5
57.03440	0.3
57.07087	0.3
63.98517	0.2
65.03945	0.3
67.05484	0.4
68.05005	0.4
69.03429	0.9
69.07069	0.6
70.02587	0.4
70.02957	7.6
70.06593	3.1
71.01324	0.3
71.04996	3.2
71.06914	0.4
71.49825	0.5
72.08144	0.5
72.93765	0.3
74.02436	0.7
79.05499	0.6
80.05013	1.6
80.05780	0.3
81.03418	0.7
81.07035	0.3
82.06579	0.6
83.01324	0.4
83.05006	0.4
84.04501	1.0
84.08137	2.2
85.02954	0.4
85.21017	0.3
86.09694	1.0
88.03991	4.0
91.05466	0.6
94.06588	0.6
95.01332	100.0
95.06085	0.3
95.08607	0.3
96.01640	0.4
96.04494	0.8
96.08147	0.4
97.02895	0.4
97.05278	0.3
98.02406	0.6
98.06065	0.5
98.97577	1.9
99.00816	2.5
105.07024	0.4
108.04528	0.5
108.08101	0.4
109.02857	0.8
110.06049	0.9
110.07222	0.4
111.04408	0.4
112.03968	10.5
112.07594	0.4
113.02398	1.0
114.05550	0.5
116.03438	0.5
116.07094	0.6
116.98636	1.0
121.06534	1.1
122.06027	1.1
124.07612	0.7
126.05529	0.9
128.03432	0.4
130.72205	0.3
134.99730	0.6
136.04007	0.6
136.07623	0.8
138.05516	2.0
138.09169	0.6
138.14139	0.3
139.03905	0.3
140.03455	0.6
140.07104	1.4
152.07100	0.8
153.01831	1.6
154.05003	6.2
154.08568	0.3
156.03307	0.6
164.03416	2.6
164.07068	0.9
167.07047	2.2
168.02986	0.8
168.06468	0.6
170.08148	0.4
174.04242	0.6
180.06551	0.6
180.47105	0.3
182.04497	23.5
182.07953	3.0
182.09399	0.7
182.11914	0.6
182.13681	0.4
183.04776	0.3
183.14978	0.3
186.04362	1.5
200.09210	2.0
204.05537	0.5
210.03973	7.6
210.07657	1.0
210.11269	0.6
228.03201	0.3
228.05101	0.9
228.08513	5.0
228.12381	2.2
228.23187	2.5
229.15469	0.5
237.02847	0.4
246.06584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.05511	11.4
57.03434	8.0
57.07082	4.3
59.04998	4.4
67.05512	12.7
67.38884	1.7
68.24361	1.6
69.03423	8.9
69.07072	12.8
69.91015	5.0
69.91423	3.4
71.04997	21.9
75.04484	1.8
79.05505	10.3
81.07056	21.1
83.04977	9.1
83.08620	6.5
85.06548	6.8
86.09711	2.2
87.66242	1.5
91.05477	10.1
93.07051	23.8
95.04971	49.4
95.08625	21.0
97.06526	15.1
97.10173	4.0
98.21481	2.1
99.04460	22.6
99.08099	17.6
100.11260	3.5
105.07048	18.0
107.08601	43.6
109.06530	12.2
109.10160	22.1
111.08090	7.1
113.09658	2.1
115.07577	4.1
117.07037	2.0
119.06127	2.0
119.08613	9.5
121.10147	100.0
123.08061	7.5
123.11713	9.4
125.09631	13.3
127.07555	7.3
131.08589	9.3
133.10129	28.9
135.08080	8.7
135.11711	10.1
137.09637	13.3
137.13290	2.0
138.10127	1.7
139.11177	11.8
143.08601	1.8
143.10690	1.9
145.10133	3.6
147.11702	10.1
149.09630	4.0
149.13268	18.6
151.11189	38.3
153.01833	2.9
153.09097	18.0
158.10849	3.6
163.14827	11.8
165.12769	2.2
167.07016	2.5
169.12257	4.3
171.10164	5.7
173.13278	22.4
183.13866	1.9
191.14326	34.8
191.16074	2.1
209.15337	12.1
227.16403	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	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
53.90918	0.9
55.01872	1.3
55.05511	5.9
57.03426	4.1
57.07067	2.7
59.04988	1.5
59.28171	0.9
63.94111	1.1
67.05505	8.7
68.01904	1.0
69.03441	5.1
69.07066	6.4
70.25916	0.9
71.04999	40.1
71.50337	1.2
71.50710	1.2
76.34485	0.9
79.05495	5.3
81.03412	3.1
81.07060	10.9
83.04993	4.7
83.08627	4.9
85.06548	12.8
86.09688	2.6
91.05478	6.0
92.05820	1.5
93.07062	9.7
95.04963	3.1
95.08613	10.8
97.06528	3.5
97.10152	1.6
97.69412	0.9
99.04461	100.0
100.11266	6.5
105.07023	8.0
107.04945	1.8
107.08603	24.8
108.30476	1.0
109.06516	4.4
109.10178	15.3
111.08106	2.2
113.08965	1.0
113.09684	4.9
119.08591	2.7
121.06510	2.0
121.10141	14.5
123.04429	2.4
123.08054	11.6
123.11717	11.9
125.09661	8.0
131.08577	2.6
133.10136	12.2
135.08109	1.9
135.11697	3.2
137.09633	4.1
139.07483	1.1
139.11171	3.2
141.12810	0.9
143.08630	1.4
145.10115	1.8
147.11665	2.9
149.09598	3.0
149.13283	9.0
151.11188	14.2
153.01845	4.2
153.09085	1.7
153.12753	1.5
155.07011	0.9
157.10173	1.2
163.11189	1.3
163.14857	5.3
165.12799	2.5
167.07048	2.8
167.10674	2.4
169.12254	6.1
173.13280	9.8
177.05521	1.1
181.05019	1.6
183.06516	1.9
183.13823	13.6
191.14301	10.5
199.08730	2.7
209.08211	1.4
209.15327	7.6
222.71872	1.0
227.08214	1.7
227.10744	1.9
227.16165	7.7
228.17368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1644
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.17844	2.2
53.03947	6.7
55.01876	7.1
55.05512	20.6
57.03435	10.0
57.07072	6.5
59.05001	4.0
59.27585	2.8
65.03912	4.1
67.05507	20.4
69.03436	6.5
69.07070	21.8
71.04996	30.5
73.06564	3.4
78.04694	3.6
79.05511	18.7
81.03407	4.6
81.07067	38.4
83.04990	12.9
83.08601	12.7
85.06556	14.4
86.09718	6.8
91.05498	17.0
93.07050	31.6
95.04979	100.0
95.08616	34.6
97.06542	22.6
97.10168	11.4
98.21529	5.5
98.97585	3.8
99.04462	40.6
99.05049	4.8
99.08108	21.0
100.07635	2.6
100.11259	28.5
101.06024	8.3
103.05442	4.9
105.07034	20.6
106.04185	2.5
107.04959	5.7
107.08601	48.7
109.02911	3.7
109.06524	19.2
109.10172	21.7
111.08076	10.2
114.05581	3.3
115.07518	2.8
117.06979	3.7
119.08569	14.6
121.06498	9.1
121.10155	34.5
123.04415	5.8
123.08102	10.2
123.11708	9.4
125.06033	3.6
125.09644	12.5
127.03925	2.9
127.07548	8.8
129.07034	6.0
131.04939	4.8
131.08563	9.6
133.10143	40.1
135.08046	8.2
135.11708	14.9
137.05983	3.5
137.09636	6.8
139.11168	14.0
140.04712	4.9
143.08594	3.8
143.10667	6.5
145.10092	8.2
147.11717	12.0
149.05991	9.8
149.09654	4.0
149.13284	9.3
151.11191	7.0
153.01857	21.1
153.07028	3.3
153.09105	23.9
153.12759	10.7
155.08527	3.0
157.10138	7.1
163.11163	4.4
163.14854	7.1
165.12775	6.9
167.07060	59.9
171.08011	4.3
171.10268	15.2
171.11589	4.2
173.11957	2.6
173.13263	11.6
177.05490	10.4
179.14368	7.0
181.04967	9.8
181.06398	5.6
182.08122	4.4
182.15399	6.5
183.13841	5.4
184.05200	3.2
185.13272	4.0
191.14319	20.4
195.06569	2.8
209.06110	3.9
209.08061	3.6
209.15298	24.0
210.14944	8.9
212.08211	2.4
213.06558	3.0
227.07082	8.5
227.10558	7.9
227.14294	4.4
227.16252	42.6
227.18451	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	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03951	2.7
54.23999	1.8
55.01867	3.7
55.05511	16.5
56.12189	1.5
57.03440	5.6
57.07077	6.2
59.05002	4.9
60.46725	1.9
62.81841	1.8
63.28804	1.5
67.05518	12.4
69.03432	5.8
69.07076	14.9
69.28620	14.2
71.04998	23.9
73.06567	1.6
73.66659	1.6
75.04475	2.1
79.05489	13.3
81.07062	23.7
82.06555	1.8
83.04987	9.8
83.08624	6.9
85.06553	8.6
85.94740	1.7
87.04430	1.9
91.05469	10.8
93.07055	22.2
95.04976	100.0
95.08609	21.1
97.06538	17.8
97.10190	9.6
98.97587	3.8
99.04460	18.6
99.08102	27.9
100.07615	2.3
100.11289	12.6
101.06060	4.5
105.07039	12.0
107.04961	2.0
107.08593	31.0
109.06530	15.9
109.10162	14.2
111.04463	3.6
111.08081	6.8
113.09648	2.0
115.07584	2.9
117.07024	3.5
119.08573	9.9
121.06507	5.8
121.10149	17.5
123.04441	3.4
123.08043	3.3
123.11702	8.3
125.09621	12.3
127.07579	10.1
128.06186	1.7
129.07004	2.2
131.04951	2.0
131.08578	7.1
133.10135	32.1
133.64125	1.6
135.08087	5.3
135.11739	10.9
136.27103	1.8
137.05984	3.8
137.09602	4.0
139.11197	8.7
140.04706	2.0
141.05457	1.7
143.08554	3.4
143.10689	8.1
145.10172	2.4
147.11732	9.0
149.05992	6.8
149.09657	3.2
149.13280	10.6
151.11197	5.5
153.01855	8.8
153.09146	28.6
153.12788	9.2
153.13843	1.8
155.06937	2.2
157.10045	2.3
158.10950	1.8
161.13297	1.6
163.11237	3.4
163.14818	5.6
165.12801	2.3
167.07082	37.6
167.10764	1.8
171.10214	15.3
171.11545	3.3
173.13274	15.4
177.05505	7.5
181.05046	2.5
181.10080	1.6
182.15543	3.0
183.11786	1.8
183.13834	2.0
191.14307	11.9
209.08191	2.6
209.15335	16.7
210.14906	3.3
227.07083	3.7
227.10715	2.9
227.14183	4.4
227.16290	44.5
228.10393	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.5
55.05516	16.0
56.96566	5.5
57.03449	4.2
61.39742	3.0
67.05502	18.9
69.03421	5.2
69.07057	12.2
69.42545	3.7
70.96496	5.5
70.96837	5.8
71.04985	9.3
79.05508	24.9
81.03404	5.8
81.07067	26.0
83.04980	8.9
83.08601	8.9
85.02883	5.4
91.05486	16.0
93.07042	26.3
93.16894	3.3
95.04970	9.5
95.08587	10.5
97.06556	5.6
97.10188	4.7
99.04465	9.6
100.11259	14.9
103.34832	3.4
105.07033	9.8
107.04970	12.9
107.08604	20.3
109.10163	8.8
114.09168	4.8
117.07040	5.2
119.08591	13.2
121.02907	4.2
121.06511	8.0
121.10152	34.1
127.21841	3.1
128.06239	4.4
129.05460	3.6
129.07060	6.5
130.07820	3.4
131.08565	11.9
133.10072	3.7
135.08083	5.2
135.11732	16.2
143.08601	6.0
145.10133	17.3
149.09595	4.4
151.11192	7.2
152.06229	5.8
153.06998	11.6
153.35033	3.1
155.08575	6.4
157.06502	31.8
157.10118	4.1
163.11154	25.2
164.05959	4.3
167.03427	16.8
167.07048	10.9
167.08472	5.0
171.08078	7.9
173.09645	6.9
181.06447	50.4
181.07869	4.1
181.12285	11.2
191.10750	20.3
191.14351	4.8
199.07515	18.5
208.43083	3.1
209.05893	26.8
209.11755	4.4
227.06964	100.0
227.10629	10.3
227.17876	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	227.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.2
55.01867	5.1
55.05514	35.9
56.49930	2.6
57.03432	12.1
57.07073	4.3
62.17905	2.4
65.03944	3.7
67.05513	87.7
69.03431	4.2
69.07078	29.9
71.04995	24.6
71.51350	4.0
79.05493	47.0
81.07063	100.0
83.04993	33.2
83.08627	30.4
85.06556	5.8
91.05489	25.5
93.07053	60.8
95.04968	6.1
95.08617	26.8
97.06553	16.4
97.07064	2.8
97.10186	16.3
99.08087	4.7
100.11256	51.1
105.07014	10.1
107.04972	4.8
107.08601	34.4
108.59489	3.0
109.06514	4.9
109.10177	7.5
111.08065	9.6
117.07019	14.9
119.08622	4.6
121.06537	3.2
121.10168	15.7
123.11676	3.0
125.09639	12.4
129.06999	4.1
131.08543	13.4
133.10144	13.3
135.08052	5.4
135.11722	17.1
143.08560	3.5
149.13280	51.2
151.11191	2.9
157.10052	4.2
159.11697	18.6
163.14824	4.9
171.11742	4.6
177.12732	8.8
185.13303	4.2
189.11191	3.9
195.13853	9.0
209.16585	5.5
227.10660	4.5
227.12666	20.4
227.17757	19.1
227.19838	4.2
228.23117	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03936	3.3
55.01869	4.9
55.05517	25.4
56.05010	2.6
57.03457	11.8
57.07060	4.6
67.05509	70.0
69.07067	27.7
70.82963	3.0
70.83299	5.3
71.04979	11.5
74.21758	2.3
79.05492	35.6
81.06598	5.6
81.07062	100.0
83.04962	10.2
83.08637	20.0
85.06520	6.2
91.05484	21.0
93.00497	2.8
93.07053	61.1
95.04964	3.9
95.08611	28.7
97.06545	13.3
97.10155	10.1
99.08083	5.9
100.11243	10.7
105.07038	9.8
107.08601	35.6
109.06519	3.8
109.10115	4.1
111.08054	7.3
117.07011	11.7
121.10140	16.0
125.09626	6.9
131.08545	11.4
133.10156	12.1
135.11720	19.9
149.13272	44.5
159.11684	21.5
177.12762	10.8
181.20758	2.6
189.11053	2.3
195.13792	13.3
199.17940	2.5
225.21750	2.9
227.10770	2.5
227.12759	8.1
227.17915	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	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03942	1.4
55.01882	5.1
55.05500	2.5
57.03431	0.8
65.03941	7.7
67.05505	4.8
69.03416	3.2
69.07066	2.5
70.04384	3.1
70.06595	0.7
71.04990	2.8
72.08142	0.6
73.02921	36.7
76.49683	0.6
79.05488	3.0
81.03387	1.2
81.07057	4.5
82.04211	3.4
83.04974	1.9
83.08621	0.8
84.08156	1.0
85.02925	5.2
85.06530	2.8
86.09708	2.3
87.04436	0.8
91.05495	4.3
91.40144	0.7
93.03391	2.5
93.07050	5.5
93.28462	0.7
95.01360	0.7
95.04977	9.8
95.08595	2.9
97.02892	1.6
97.06532	2.9
99.04435	3.0
99.08073	1.1
100.11267	4.8
103.05499	1.1
105.07031	2.0
107.04964	1.3
107.08590	3.1
108.02122	1.4
109.06518	1.9
109.10159	1.1
110.03677	3.6
111.04427	1.9
111.63648	0.7
119.04987	0.9
121.06517	3.7
121.10145	5.1
123.04441	9.1
123.08076	1.0
123.11704	2.6
125.02343	3.5
125.05988	2.2
125.09624	1.8
131.08537	1.7
133.10112	1.8
135.04446	1.1
135.08000	0.9
137.09550	0.7
138.03133	2.2
138.09109	1.0
139.03920	1.2
140.04688	52.7
142.02597	4.0
145.10153	1.1
147.11768	1.2
149.05991	1.7
149.09612	3.1
149.13206	0.7
151.03943	0.7
151.11182	1.8
153.05505	3.7
153.09068	1.8
155.07040	56.1
163.11165	1.5
166.13869	0.6
167.07066	7.3
167.10678	4.0
168.10400	0.9
171.06532	4.2
173.08122	2.5
173.13249	1.1
177.05418	0.7
179.07053	2.9
181.04965	100.0
182.05321	1.2
182.08119	0.9
191.10695	1.5
191.14319	1.0
209.08099	19.3
209.15242	1.0
210.08347	0.8
210.11197	1.0
227.06989	1.7
227.09094	14.0
227.12532	0.9
228.12294	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.36850	0.6
53.03941	2.0
55.01872	6.1
55.05503	1.7
57.03434	1.4
57.07087	1.1
59.04985	0.8
63.10798	0.7
65.03943	8.1
67.04028	0.6
67.05505	5.1
69.03417	2.4
69.07052	3.0
70.79507	1.6
71.04993	4.6
71.05311	0.8
73.02922	38.3
73.27352	0.8
79.05496	2.4
81.03411	1.5
81.07045	2.4
82.04195	2.9
83.04983	1.4
83.08607	1.2
84.08127	0.8
85.02918	6.1
85.06541	2.1
86.09709	1.0
91.05477	3.3
93.03403	2.3
93.07037	5.1
95.04971	26.2
95.08594	3.1
97.02889	2.1
97.06541	5.6
99.04440	3.0
99.08109	4.9
99.42260	0.8
100.11272	4.4
103.05503	0.8
105.07036	3.1
107.04912	1.7
107.08599	5.1
108.02122	1.1
109.06522	3.6
109.10139	1.5
110.03655	4.0
111.04444	1.3
111.08091	1.6
119.08535	1.6
121.06510	1.8
121.10209	4.3
123.04440	9.5
123.11665	0.9
125.02351	3.2
125.06006	3.0
125.09637	2.8
127.07558	1.3
133.10109	6.0
135.08102	1.3
135.11678	1.1
137.09691	0.9
138.03123	2.5
139.11171	2.6
140.04689	52.2
141.04977	0.8
142.02599	3.7
143.10719	0.8
145.10094	0.9
149.06021	1.0
149.09712	0.9
149.13245	1.4
153.05508	3.6
153.06648	0.7
153.09114	5.3
155.07039	56.5
156.07439	1.1
167.07028	4.3
171.06500	3.5
171.07979	1.0
171.10165	3.4
173.08154	2.1
173.13277	3.2
177.05505	1.2
179.07007	3.1
181.04964	100.0
181.08424	4.8
182.05305	0.9
191.14322	2.1
209.06104	1.2
209.08081	19.1
209.09953	1.6
209.15372	2.8
223.11066	0.7
227.07120	1.5
227.09129	13.3
227.16255	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	225.1488
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
51.00195	1.2
55.05511	5.7
56.54673	1.3
57.03447	1.9
57.07070	1.1
57.36497	1.1
66.18356	1.1
67.05513	5.7
69.03432	4.4
69.07042	2.1
70.53994	1.3
70.54321	2.4
79.05486	4.9
81.07059	6.9
83.04989	49.4
87.04443	1.4
91.05476	9.1
93.07052	4.7
95.04960	5.3
95.08627	11.3
97.06524	2.0
99.08107	18.3
105.07061	5.8
107.04954	1.4
107.08611	12.7
109.06532	43.1
109.10117	1.6
111.04449	26.3
113.09631	1.3
119.08607	7.2
121.06523	5.0
121.10157	8.2
123.08079	100.0
123.11703	2.7
125.09634	12.3
127.07557	5.2
131.08543	2.1
133.10101	2.0
135.08037	1.2
135.11685	1.6
137.09654	2.8
141.09114	2.6
145.10126	2.1
147.11688	5.4
149.09642	10.6
151.07524	4.4
151.11169	4.4
159.08076	1.4
161.13263	1.6
163.11142	2.2
165.12796	7.3
167.10657	10.9
172.67259	1.1
183.10248	1.1
189.12704	2.3
207.13800	12.6
225.14830	14.1
226.10847	1.5
229.89578	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1802
Annotation	Adalinine
Peak:m/z	Relative Intensity
53.03934	0.8
55.01858	0.6
55.05513	7.8
57.07074	1.2
67.05510	3.9
69.03407	1.8
69.07078	6.4
70.06596	3.5
71.05006	0.7
71.51839	1.1
72.04516	0.8
74.17455	0.6
79.05493	3.8
81.07061	8.9
82.06575	1.8
83.04987	1.0
83.08629	6.4
91.05469	2.5
93.07050	2.7
94.06586	1.7
95.04954	2.1
95.07346	0.6
95.08603	8.0
96.08124	2.2
97.10181	1.7
98.09695	1.1
98.97610	0.6
100.07593	0.7
100.11252	1.7
100.56783	0.8
105.07016	1.1
107.04969	3.2
107.08584	2.6
108.08141	3.5
109.06507	2.3
109.08893	2.4
109.10135	2.2
110.06042	1.8
110.07106	0.7
110.09692	12.6
111.08104	0.7
112.07630	0.8
116.07122	3.7
119.08545	0.9
120.05621	2.9
120.08109	0.6
121.06475	0.7
121.10172	1.8
122.09721	1.3
123.08077	2.7
123.11691	1.4
124.07568	1.2
124.11205	2.8
124.12001	0.8
136.07567	2.3
137.08371	4.3
137.09328	0.9
137.13248	3.1
138.09126	8.9
138.10078	0.6
141.04221	1.3
147.11696	1.3
149.09727	0.6
150.09079	1.0
151.09885	0.8
153.41194	0.6
155.09413	0.7
164.14294	0.9
165.12738	2.2
167.07109	0.7
172.94205	0.7
180.06676	0.7
180.17488	20.7
183.06833	0.9
198.18546	5.5
208.06952	0.8
208.09802	1.0
208.16978	53.6
209.17291	1.3
226.09644	5.2
226.14418	3.1
226.18030	100.0
227.06880	0.6
227.18330	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03937	1.7
55.01874	6.1
57.03436	0.7
65.03948	6.8
67.05506	3.9
69.03443	1.3
69.07069	1.2
69.95951	1.2
69.96349	2.0
73.02921	36.4
78.07410	0.7
79.05476	1.1
81.07032	1.1
82.04188	3.0
85.02909	5.0
91.05479	2.5
93.03411	2.4
93.07066	1.3
95.04975	6.6
97.06519	2.4
103.05498	0.8
107.04994	0.7
108.02075	1.9
109.06580	1.1
110.03667	4.4
121.06498	1.7
123.04446	8.9
125.02368	2.1
125.05992	3.0
138.03119	2.2
140.04689	52.6
142.02625	3.2
149.06038	0.8
149.64946	0.7
153.05479	3.5
155.07037	64.9
156.07451	0.7
162.09430	0.8
166.06300	0.7
167.07071	2.5
168.13431	0.7
171.06563	3.0
173.08098	2.0
179.07068	2.4
181.04965	100.0
181.08379	4.5
182.05280	1.2
209.08110	22.1
210.11345	0.8
227.09148	14.7
227.16412	1.2
230.37517	0.7
235.44452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.67866	5.4
55.01882	5.3
55.05500	21.1
55.58118	5.1
57.03428	6.5
57.07074	5.8
57.84239	5.7
61.02926	31.1
65.03946	5.1
67.05502	31.8
69.03436	100.0
69.07064	30.0
70.19553	5.6
70.19879	19.0
71.05003	27.6
75.00473	5.6
79.05501	26.8
81.07057	59.6
83.04961	19.6
83.08591	7.8
91.05485	29.0
91.05947	5.1
92.09165	5.4
93.07052	44.3
95.04947	27.8
95.08604	37.5
97.06526	21.3
99.04450	6.2
105.07044	82.6
107.08594	33.1
109.06532	44.5
109.10156	22.1
111.08073	11.3
115.07561	17.9
119.08591	55.7
121.06509	14.6
121.10162	47.8
122.07307	10.0
123.04446	14.8
123.08067	31.2
123.11680	10.0
131.08553	6.5
133.06487	15.0
133.07588	4.9
133.10161	55.7
135.08061	16.2
135.11685	9.2
137.05968	7.0
137.09619	63.0
139.11206	17.1
141.06900	6.1
145.10133	12.5
147.08058	17.9
147.11682	70.3
149.09647	26.1
151.07588	17.4
151.11188	43.6
156.09348	10.4
159.08092	12.3
159.11681	14.8
161.09566	13.3
161.13275	32.3
163.11172	12.9
165.12729	25.1
171.11743	12.6
174.10429	24.6
177.12784	7.1
182.00131	5.8
189.12781	45.0
189.76146	5.6
201.94954	5.7
207.13876	40.7
225.14815	46.6
237.70679	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03944	2.3
55.01863	2.9
55.05507	7.9
57.03436	2.6
57.07061	1.4
59.05001	12.4
65.03936	2.7
67.05502	10.7
69.03428	16.5
69.07071	11.4
69.62096	3.2
69.62514	5.0
71.04999	2.7
77.44827	1.2
79.05495	13.5
81.03416	2.4
81.07062	22.2
83.04988	11.7
83.08624	3.9
85.06541	2.1
87.04470	16.6
87.82910	1.5
91.05486	20.9
93.07047	47.3
93.07641	2.7
95.04988	6.6
95.08610	17.6
96.71172	1.2
97.06541	7.9
99.04435	1.9
103.05448	2.0
105.07032	44.8
107.04978	3.1
107.07883	2.0
107.08595	36.0
109.06534	13.3
109.10172	10.5
111.08060	7.9
117.07022	6.5
119.04929	3.2
119.08579	23.4
121.06487	4.2
121.10162	14.7
123.04430	2.5
123.08085	16.2
123.11697	4.7
128.06197	1.7
129.07028	4.1
131.08556	5.8
133.06453	3.7
133.10133	11.7
135.08075	3.6
135.11665	2.7
136.03894	1.4
137.06015	2.2
137.09633	6.9
139.11206	7.3
141.06961	1.5
141.09087	2.3
143.08589	3.4
145.10114	4.7
147.04477	1.9
147.08034	5.4
147.11696	14.2
149.09622	10.9
151.07532	4.6
151.11189	100.0
152.11559	1.7
156.09363	6.0
159.10431	1.4
159.11690	5.5
161.09613	6.1
161.13251	18.1
163.11179	4.5
165.09024	1.5
165.12709	1.6
170.01279	1.3
171.11632	6.9
174.10457	2.3
177.12766	5.5
179.14340	3.7
189.12767	18.9
207.06557	3.3
207.13815	97.8
225.14803	14.9
226.10881	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.56668	2.8
50.66782	2.9
51.16237	2.6
53.03945	5.9
55.05507	8.9
57.07059	5.3
61.02929	5.6
64.31554	2.8
65.26439	3.4
67.05506	23.7
69.03429	100.0
69.07055	12.9
71.04995	5.1
71.06194	7.0
71.87259	3.0
79.05492	21.5
81.03389	6.7
81.07063	42.8
83.04972	12.9
83.08626	6.2
90.18644	3.5
91.05491	16.6
93.07051	21.5
95.04980	17.6
95.08618	21.1
97.06516	11.1
103.05489	6.1
105.07032	54.9
107.04913	3.5
107.08605	21.7
109.06522	24.1
109.10158	11.4
111.08060	8.5
119.08598	41.3
121.06480	6.6
121.10161	30.3
123.04479	18.7
123.05206	3.2
123.08061	13.7
123.11717	7.0
131.08499	3.9
133.06491	12.3
133.10139	52.6
135.08063	7.4
137.05954	3.9
137.09641	45.1
139.11189	23.9
143.08571	3.9
145.10139	7.3
147.08084	7.2
147.11696	35.9
149.09619	8.5
151.07573	9.5
151.11218	13.0
156.09381	10.6
159.11682	4.3
161.13246	17.9
163.11209	10.5
171.11678	11.5
173.68816	3.6
174.10426	11.4
177.12819	3.8
179.14420	3.9
189.12730	27.7
207.13789	35.9
225.14847	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	225.1488
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.20018	1.1
52.70488	1.2
53.03937	1.4
55.01865	2.9
55.05522	6.6
57.03423	2.9
57.07085	1.7
59.05010	4.0
65.03941	2.4
67.05505	11.4
67.86323	1.6
69.03447	7.3
69.07071	6.2
69.62298	2.1
69.62699	7.7
70.48164	1.5
71.04984	4.8
79.05506	8.2
81.07079	10.5
83.04990	44.1
85.02905	2.4
85.06558	3.5
87.04478	2.2
91.05489	10.7
93.07055	10.1
95.04983	7.9
95.08609	16.8
97.06520	4.9
97.09503	1.3
99.04500	3.0
99.08105	22.3
101.06018	2.0
105.03382	1.5
105.07045	11.5
107.04917	1.4
107.08599	28.8
109.06532	44.9
109.07269	2.7
109.10169	8.4
111.04460	24.1
113.06009	1.4
113.09658	1.3
117.07019	2.1
119.04943	4.6
119.08591	10.7
121.06524	5.1
121.10156	15.7
122.07319	1.2
123.04488	1.9
123.08081	100.0
123.11729	4.8
125.09657	14.5
127.07564	7.0
131.08559	1.7
133.10141	5.0
135.08122	1.6
135.11737	1.8
137.05977	2.0
137.09610	10.2
137.13301	1.6
139.11185	4.1
141.09122	4.7
145.10103	3.8
147.04445	3.7
147.08078	1.6
147.11703	7.2
149.09621	13.4
151.07524	7.2
151.11188	18.4
156.09348	2.2
156.81593	1.5
161.09657	2.4
161.13271	5.7
163.11246	7.1
164.51024	1.2
165.12741	4.9
165.14011	1.4
167.10666	10.5
169.08612	1.9
171.11665	2.1
171.61084	1.2
175.03931	2.9
179.07027	1.5
179.14352	2.8
183.06480	2.6
189.12735	8.3
207.06514	4.8
207.13795	28.3
225.12727	1.4
225.14828	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.40483	1.3
53.03939	3.9
55.01867	4.3
55.05498	7.2
57.03438	1.7
57.07056	2.1
59.04990	3.0
61.02928	64.8
63.36661	1.6
67.05509	9.3
68.01942	1.5
69.03429	17.6
69.07072	18.1
71.04996	21.8
71.05928	3.2
71.80398	2.0
73.06545	1.9
79.05513	11.8
81.03409	7.0
81.07056	20.2
83.02909	1.5
83.04996	11.8
83.08605	3.7
87.04462	3.8
87.97523	1.6
90.58532	1.5
91.05477	15.3
93.07052	22.4
95.04985	9.8
95.08610	20.3
97.06533	8.7
99.04455	3.1
99.08073	1.7
105.07034	41.0
107.05009	1.7
107.08601	18.8
109.06515	29.7
109.10136	6.5
111.08080	3.2
115.07579	16.1
117.07024	2.9
119.04926	3.1
119.08583	36.6
121.06494	6.6
121.09332	2.1
121.10139	23.6
122.07291	3.8
123.04435	1.8
123.08068	22.1
123.11706	11.3
125.05949	2.1
131.08548	5.4
133.06488	6.5
133.10130	12.9
135.08047	4.8
135.11681	5.4
137.09625	28.3
141.06989	2.3
143.08551	5.2
145.10152	7.4
147.08072	7.9
147.11699	44.5
149.09628	31.8
151.07562	12.1
151.11191	21.8
156.09344	7.4
159.08113	2.1
159.11714	4.3
160.08727	2.2
161.09648	7.2
161.13303	14.3
163.11195	9.9
165.12762	43.8
171.11653	8.5
174.10416	9.9
177.12781	7.8
189.12744	17.7
207.13815	20.7
225.14861	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1122
Annotation	Aspidinol
Peak:m/z	Relative Intensity
53.03935	1.0
54.30370	0.8
55.01860	1.1
55.05507	3.4
57.03432	1.5
57.07059	2.7
67.05502	3.9
68.99774	2.9
69.03415	2.7
69.07058	1.5
71.04997	1.8
71.08643	5.1
71.50571	0.9
79.05484	4.5
81.03411	2.9
81.06602	1.0
81.07059	18.7
83.04976	2.0
83.08563	0.6
85.02895	2.9
85.06525	2.3
91.05494	3.3
93.07021	1.4
95.04946	2.9
95.08608	7.9
97.02876	0.9
97.06506	1.0
97.62730	0.6
99.04494	3.1
99.08098	4.3
101.09630	0.7
105.03387	1.8
105.07012	2.4
107.04951	1.2
107.08567	1.8
109.02848	1.3
109.06499	3.6
109.10166	1.3
111.00768	1.0
111.04413	1.8
113.09645	1.6
113.10344	0.6
117.03212	0.7
119.04932	5.0
119.08556	1.1
121.10130	2.5
123.03577	1.1
123.04424	15.9
123.08070	5.4
123.11700	1.3
125.05989	0.8
125.09615	0.7
126.68577	0.7
127.03926	8.5
133.06607	0.6
133.10077	1.0
137.05986	17.2
137.09601	2.8
139.03905	70.1
139.11153	1.4
140.04231	0.6
141.09109	16.4
147.04401	2.9
147.11769	0.7
151.03915	5.8
151.07465	0.9
151.11150	0.7
153.01839	2.0
153.05438	4.4
155.03395	50.1
165.05475	29.6
165.12747	1.0
167.07025	0.8
167.10648	0.8
169.10117	1.3
175.03943	1.0
179.07024	1.5
183.06549	1.4
183.10168	1.5
183.13692	0.8
189.12672	0.9
192.04085	0.9
207.06711	1.4
207.10172	13.7
225.11209	100.0
226.11597	1.8
241.31404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0759
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.02377	1.0
53.03933	1.9
55.01850	2.0
55.05508	2.5
57.03419	1.5
65.03940	4.7
67.05488	2.3
69.03426	1.3
69.07059	1.6
70.52799	2.1
71.04975	2.1
72.08154	1.7
77.03923	2.0
79.05500	3.7
80.05028	1.3
81.03416	0.8
81.07051	5.5
83.04992	4.0
83.08614	0.9
84.08157	3.5
85.02909	8.0
85.06526	1.1
89.03921	2.0
91.05485	59.1
93.03391	0.8
93.07042	2.8
93.16786	0.6
95.04973	7.5
95.08614	4.0
95.15363	0.6
97.06519	1.8
99.04433	3.2
99.08085	1.1
103.05492	3.4
105.03393	2.0
105.04534	0.9
105.07027	4.3
107.04963	4.1
107.08622	4.8
108.05737	1.4
109.06519	3.7
109.10147	3.4
111.04408	1.4
111.08162	0.8
117.03339	0.6
117.06947	0.9
118.04176	6.6
119.04950	62.8
119.08581	4.4
120.08122	0.9
121.02863	2.3
121.06493	2.5
121.10117	5.0
122.09652	2.8
123.04440	4.3
123.08080	5.3
123.11715	6.5
124.81712	0.7
125.05995	1.6
125.09605	1.6
127.07545	1.1
129.03395	1.4
129.04425	0.6
130.62762	0.7
131.08554	1.3
132.02069	5.4
133.02888	1.2
133.10114	2.0
135.04407	2.4
135.08037	1.7
135.11671	1.0
136.05185	1.9
137.05988	2.9
137.09605	3.1
139.07616	0.8
140.04648	0.9
141.09120	1.3
145.02855	2.0
145.10139	1.4
146.03642	2.3
147.04414	48.8
147.08066	2.0
147.09102	0.7
147.11690	2.0
149.02351	9.9
149.05989	1.4
149.09613	5.8
151.03896	2.1
151.07579	3.5
151.11183	2.0
153.05473	0.8
153.44667	0.8
155.07063	1.4
155.93228	0.6
156.09300	0.8
156.82230	0.7
157.03984	4.7
159.11708	0.8
161.06018	1.2
161.09605	1.9
161.13283	2.3
163.03882	1.8
163.11142	3.4
164.04704	6.7
164.08473	0.7
165.05487	1.7
165.09142	0.8
165.12823	1.7
167.10619	0.9
174.03101	1.9
175.03914	79.1
176.04408	0.9
177.01808	3.2
177.12764	3.6
179.07022	7.3
179.14151	0.8
180.04161	1.4
180.07764	1.2
181.08618	4.6
181.14458	0.8
183.06444	3.6
183.13794	0.7
189.09050	0.6
189.12730	3.8
189.65891	0.6
192.04175	27.5
193.04904	2.7
195.10207	2.3
207.06535	100.0
207.13754	7.9
208.06848	1.1
225.07545	3.1
225.14885	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	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05469	3.0
56.05021	5.0
56.96567	35.1
57.03429	7.1
58.99859	9.9
60.04524	7.9
69.86605	6.5
69.87020	12.0
70.06565	3.6
71.05005	3.8
81.03423	6.9
82.01426	8.9
82.06545	4.2
82.99840	4.2
84.04460	5.9
84.08148	46.9
84.96028	16.3
85.02892	7.7
85.46843	4.1
93.48873	3.9
96.04487	15.5
97.07675	5.1
98.21406	4.4
98.97588	62.7
100.02487	19.5
101.00872	54.0
116.98614	24.9
118.03495	5.2
119.01919	100.0
120.02005	4.5
121.01595	3.9
124.02496	4.6
125.02358	3.7
127.96625	3.4
128.07057	4.0
128.98665	4.8
130.08620	5.0
131.01868	5.3
134.99698	7.9
136.93112	10.8
137.02959	18.5
140.96161	11.9
142.03494	30.8
142.69269	3.1
143.01863	4.7
145.03450	6.2
152.99417	4.0
154.03433	4.8
154.94142	14.0
155.01874	5.5
156.97630	5.0
156.99750	4.1
157.03429	6.3
157.97598	8.8
158.97214	79.9
158.99847	10.8
159.97958	9.7
160.04578	11.7
161.03029	22.3
166.01256	3.9
167.99158	6.2
170.49406	5.8
172.95206	9.5
173.02905	4.7
174.97612	4.7
176.98317	48.0
177.00916	47.9
177.96349	3.7
177.98825	5.1
178.00653	3.1
178.49825	6.8
179.00769	7.5
179.03993	15.8
179.49858	8.0
180.10190	6.2
181.98885	4.3
182.99673	14.2
183.01283	4.5
184.04604	7.3
185.02921	5.0
185.96947	3.6
186.99118	3.9
187.47195	3.7
187.97444	4.1
188.00084	3.5
192.51399	4.1
197.02663	4.5
198.02391	7.7
200.91333	3.6
200.98341	33.6
201.00900	21.2
201.02490	14.6
201.94356	15.3
201.98674	8.1
202.02576	9.7
202.05627	13.9
202.98686	4.5
203.00412	16.5
203.04039	9.3
206.53648	10.9
210.47226	4.9
214.96509	10.8
216.96484	5.3
217.03999	5.1
218.99442	14.8
219.02000	55.1
219.47943	6.5
219.97873	4.9
219.99791	17.4
220.02107	11.3
221.01443	5.6
221.05162	4.0
224.98277	7.3
225.02455	8.1
225.12389	11.8
226.02007	27.9
242.99561	7.6
243.01978	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	225.076
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
52.53986	1.1
53.03930	2.4
55.01872	2.3
55.05511	5.5
57.03447	1.9
57.07077	1.3
62.50256	1.0
65.03944	6.6
67.05508	5.4
69.03430	4.7
69.07062	3.4
70.06598	1.7
71.04986	5.8
71.51115	1.3
72.08156	4.1
77.03920	3.3
79.05497	6.9
80.05018	3.7
80.06254	1.3
81.03429	2.0
81.07067	6.4
83.04974	6.5
83.08600	1.5
84.08152	5.6
85.02921	2.0
85.06571	1.2
89.03912	2.8
91.05486	68.7
93.07046	6.7
95.04969	13.9
95.08610	11.3
97.06515	3.6
99.04453	7.2
103.05476	4.3
105.03416	4.6
105.04514	2.2
105.07049	11.3
107.04971	6.9
107.08616	7.4
109.06537	8.7
109.10173	4.5
111.04451	2.1
111.08102	2.0
113.06094	1.4
117.07088	1.6
118.04147	8.9
119.04948	63.3
119.08597	11.4
120.08122	2.4
121.02927	1.9
121.06525	5.2
121.10141	10.6
122.09673	7.9
123.04472	7.7
123.08086	8.1
123.11736	1.6
124.03974	1.4
125.05998	3.8
125.09653	1.6
127.07591	1.8
128.06169	1.2
129.03456	1.3
131.08565	3.6
132.02087	5.7
133.02873	3.0
133.06483	3.5
133.10115	5.5
135.04437	3.2
135.08009	2.5
135.11690	2.3
136.05212	3.6
137.05986	4.5
137.09625	7.7
140.04654	1.7
141.09158	1.8
145.02849	1.5
145.10112	2.2
146.03674	2.3
147.04419	52.9
147.08040	2.7
147.09187	4.1
147.11652	5.3
148.05267	7.0
149.02339	10.5
149.05962	1.8
149.09630	9.5
151.03912	4.0
151.07556	5.8
151.11214	3.3
153.09082	1.3
155.07039	3.2
156.09265	1.7
157.03993	6.9
159.11769	2.6
161.06033	1.3
161.09686	2.7
161.13231	5.3
163.03949	2.0
163.11203	7.5
164.04700	6.5
164.08385	3.8
164.11818	3.2
165.05511	3.9
165.09096	1.9
165.12823	3.0
167.10678	1.9
171.11697	1.5
174.03159	2.1
175.03917	84.9
177.01881	3.5
177.12753	10.2
179.03426	1.4
179.07069	8.9
179.14366	1.9
180.07848	4.8
181.08618	28.7
181.10233	2.0
181.12221	2.4
181.14490	5.6
183.06543	8.4
183.13812	1.5
189.12755	7.4
192.04167	24.6
192.99576	1.7
193.04860	3.0
195.10182	15.8
195.13838	1.2
207.06537	100.0
207.13742	14.0
208.06918	2.3
225.05685	2.2
225.07457	4.0
225.09305	1.5
225.11397	2.1
225.13255	3.8
225.15164	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	224.1283
Annotation	Maokonine
Peak:m/z	Relative Intensity
53.03952	1.4
56.05038	1.3
56.96567	0.7
58.06610	3.9
59.04985	1.1
62.26500	0.7
67.05513	1.7
68.05027	1.8
69.03413	0.7
70.06609	0.9
70.34402	0.8
70.34755	2.3
71.05000	2.4
72.08154	0.7
72.94230	0.6
79.05501	7.2
81.03410	0.9
81.07040	1.8
82.06586	0.7
83.04984	1.4
84.08138	1.2
85.02914	0.9
86.06063	0.8
91.05487	8.4
93.07042	2.9
94.07385	0.9
95.04960	1.2
97.02945	0.7
98.06064	0.7
100.59486	0.6
103.05473	13.9
105.07038	37.8
106.07354	1.1
107.04936	4.7
109.02882	4.0
109.06568	1.0
111.04432	0.7
115.05464	1.0
117.05740	1.2
118.06551	14.1
119.04937	1.5
119.07339	1.8
120.08120	21.8
121.06512	7.2
122.06020	1.0
122.06799	1.2
123.04480	0.8
123.08065	0.8
128.06216	6.4
130.06586	3.5
131.04921	4.1
131.07344	3.5
131.08565	2.1
132.08092	3.0
133.08861	2.1
134.09692	1.5
136.07611	1.7
137.05972	1.1
140.07079	1.1
142.06625	0.8
142.17520	0.7
143.08568	3.1
143.24187	0.7
144.08080	0.8
145.08887	1.2
149.06001	1.7
150.06395	1.1
150.09131	1.0
154.04971	0.7
155.05992	0.9
158.09550	0.8
160.11226	100.0
161.11525	1.6
163.40517	0.7
164.03369	1.0
164.07089	1.6
165.05525	1.5
170.12114	0.7
178.08894	3.8
178.12280	92.7
179.06958	1.1
179.12711	1.7
182.08154	0.7
206.08275	1.4
206.11742	12.3
224.07115	1.1
224.09344	6.0
224.12828	32.7
224.16209	5.2
225.12563	0.8
226.04283	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92498	6.8
71.25868	18.1
82.77699	7.3
102.70874	8.4
192.00142	7.1
225.06390	100.0
244.80626	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	223.1331
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
50.52464	4.8
53.03958	57.5
55.01870	18.3
55.05499	20.1
57.03431	7.6
58.84092	5.1
65.03944	7.3
66.50941	5.0
67.05515	73.4
67.14038	4.8
69.03448	9.9
69.07059	16.3
70.06570	5.4
71.05003	5.2
71.50807	5.6
73.08775	5.1
75.78521	7.1
79.05505	60.7
81.03425	100.0
81.07060	98.8
83.04975	19.1
83.08607	7.8
85.02898	7.4
85.04896	5.9
91.05502	33.9
93.07053	57.2
95.04984	43.2
95.08607	70.0
96.54790	5.7
97.02875	9.2
97.06524	8.3
103.05483	7.5
103.53043	5.4
105.07042	30.5
107.04973	37.2
107.08609	34.5
109.06509	14.4
109.10146	17.1
111.08095	7.5
117.07010	23.8
119.08578	22.4
121.06521	37.0
121.10183	19.6
121.48225	6.7
122.06876	10.7
123.08089	32.6
123.11721	8.3
125.05982	6.3
127.05871	8.5
131.04965	7.6
131.08588	30.9
133.10164	8.0
135.08026	11.9
135.11714	30.0
143.08557	8.0
145.06488	19.3
145.10091	17.8
147.11676	5.8
149.02354	40.3
149.09569	9.0
149.13301	9.7
151.03914	6.2
159.11739	28.8
163.03973	7.2
163.07631	5.8
163.11189	12.6
165.09198	6.0
169.10155	9.5
177.12791	13.7
187.11224	13.9
193.10272	6.1
205.12294	9.5
208.08720	6.1
208.12540	7.0
223.02521	7.2
223.05919	33.4
223.11179	20.2
223.13307	26.1
223.16998	15.8
225.04376	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	224.0919
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
51.91553	0.5
53.03960	0.5
56.96564	2.3
57.03427	0.5
57.07062	0.7
60.04527	0.7
66.07439	0.5
67.05499	0.7
69.03436	0.9
70.06592	1.1
70.62433	1.1
71.05006	0.8
74.02460	0.8
79.05495	2.6
81.07086	0.7
84.08161	0.8
85.02914	1.5
91.05493	4.1
93.07071	0.7
97.02920	0.7
98.97625	1.2
99.04469	0.6
99.86882	0.6
103.05478	7.5
104.05000	0.6
105.07040	23.7
107.04958	3.5
109.06509	0.6
110.06035	2.5
115.05476	2.2
117.05763	7.7
119.07332	3.5
120.08105	1.6
121.06533	4.5
122.06015	1.5
122.06858	0.6
130.06532	6.7
131.04941	2.2
132.08101	100.0
132.72333	0.5
133.08423	0.8
136.06250	0.7
136.07648	0.6
137.05977	1.5
143.72206	0.6
149.05992	1.1
150.05525	2.0
150.09137	1.8
153.01836	1.0
164.07066	6.6
178.08647	97.3
179.08926	0.9
201.00661	1.1
206.04576	1.2
206.08115	1.2
221.84932	0.6
224.03418	0.6
224.05644	1.8
224.09181	7.3
224.12964	2.0
226.04314	0.9
241.48465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03939	9.2
55.01867	5.8
55.05503	7.5
57.03421	4.2
59.05004	11.0
59.23541	2.3
65.03954	3.3
67.05508	24.4
68.90636	2.0
69.03436	8.2
69.07070	15.7
69.18435	14.8
69.18860	6.2
71.01349	7.1
71.04978	7.2
79.05495	28.0
81.03406	3.5
81.07059	54.6
83.04998	11.2
85.02433	4.0
85.02911	50.3
85.06552	5.4
89.06031	3.4
91.05482	29.9
93.07040	58.1
94.81971	2.4
95.01340	17.4
95.04958	26.4
95.08604	22.1
96.85448	2.3
97.02934	3.2
97.06517	21.5
98.97578	3.2
99.04465	12.1
103.05473	8.8
105.04512	3.4
105.07025	45.9
105.07692	3.6
106.75966	2.4
107.04947	9.4
107.08604	24.7
109.06509	12.3
109.10178	20.6
111.04472	3.7
111.08124	5.2
113.02378	26.5
113.06031	3.7
117.07018	9.6
119.04954	5.2
119.08587	30.1
120.18188	2.1
121.05688	2.5
121.06517	44.9
121.10152	17.0
123.04441	23.9
123.08078	6.0
123.11681	3.5
129.07088	2.8
131.08551	10.7
133.06471	10.3
133.10144	7.2
134.09558	2.4
135.04379	3.1
135.08070	6.8
135.11694	5.8
136.25064	2.4
137.05965	10.4
137.09575	5.1
143.08453	2.4
144.09343	5.1
145.06461	7.4
145.10135	19.0
147.08063	6.7
149.02376	4.2
149.05991	100.0
149.13297	4.1
150.06239	2.9
151.07542	4.2
159.08073	3.1
159.11699	32.7
161.09648	3.7
163.07549	6.2
163.11160	23.3
167.07037	56.5
167.12201	2.1
167.88892	2.1
168.40370	2.4
172.08899	2.5
177.05447	4.8
177.09035	2.8
177.12772	12.5
178.08636	2.1
187.11211	13.8
195.13766	2.1
205.12199	25.0
223.02289	2.7
223.05957	14.2
223.13306	29.7
225.04256	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	223.133
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03938	0.9
55.01862	1.1
55.05514	6.4
56.96565	0.3
57.03434	0.3
57.07077	0.4
61.80356	0.3
65.03948	0.7
66.04725	0.4
66.26772	0.3
67.05177	0.5
67.05509	5.9
69.03435	0.5
69.06728	0.4
69.07076	4.8
71.04995	0.4
73.72865	0.3
79.05068	0.4
79.05495	4.3
81.03423	11.4
81.07063	4.2
83.04981	0.7
83.08622	2.4
85.06525	0.6
86.83017	0.3
87.08106	0.5
91.05477	2.4
93.07056	2.8
94.04184	4.0
95.04373	0.6
95.04974	11.1
95.08585	2.0
97.06549	0.3
104.25133	0.3
105.04382	0.4
105.07027	1.3
107.04962	5.6
107.08585	1.0
109.06512	0.8
109.10183	0.4
111.08078	0.5
117.07012	1.0
119.08586	1.0
121.06510	0.9
121.10134	0.6
122.06861	0.4
123.08070	0.8
125.09637	0.3
131.08556	1.3
133.10126	0.3
135.08069	0.5
135.11739	0.3
145.10126	0.8
149.02373	1.5
150.00247	0.3
163.11183	0.4
167.06905	0.3
187.11148	0.3
200.34360	0.3
205.10373	0.3
205.12196	1.3
223.13293	100.0
224.13644	2.4
225.04333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1078
Annotation	Phe-gly
Peak:m/z	Relative Intensity
52.78882	0.4
53.03940	1.0
55.01860	1.6
55.05502	0.8
56.96561	1.6
57.03439	0.5
57.07083	0.8
59.04998	0.5
63.44638	0.4
65.03946	0.5
67.05505	2.5
68.99788	0.4
69.03432	0.9
69.07070	2.1
70.06583	1.4
71.01343	0.6
71.04997	1.0
71.50616	0.7
74.29350	0.3
78.01006	0.4
79.05494	3.4
81.03422	0.9
81.07061	4.0
83.04977	1.4
83.08625	0.5
84.08141	1.4
85.02900	4.0
86.09686	0.4
91.05473	4.4
91.05935	0.5
93.06447	0.7
93.07053	6.8
95.01327	0.8
95.04990	2.5
95.08596	2.5
97.02876	0.6
97.06527	2.1
98.97599	0.9
99.04465	1.1
103.05473	7.8
105.07044	4.5
107.04958	2.2
107.08617	2.4
108.08128	0.5
109.06528	1.8
109.10169	1.3
111.04462	1.1
111.08082	0.5
113.02383	1.5
116.98618	0.7
117.07008	1.0
119.04987	0.6
119.08568	2.4
120.08115	100.0
121.02861	0.6
121.06502	5.0
121.08457	1.3
121.10148	1.9
122.06846	1.0
123.04440	1.9
123.08060	0.9
131.04916	4.1
131.08557	1.1
132.08118	0.6
133.03209	2.6
133.06514	0.9
134.03558	3.5
135.04437	0.7
135.08101	1.0
135.11722	1.1
137.06007	0.9
137.09586	0.6
139.03922	8.0
139.04912	0.3
144.09312	0.5
145.06464	0.7
145.10129	1.7
147.04356	0.8
147.08038	0.6
149.02371	5.0
149.05978	7.7
149.13272	0.5
150.56497	0.4
151.03877	0.5
151.07674	0.5
153.01826	1.4
159.04422	4.9
159.05655	0.6
159.08131	0.9
159.11729	2.9
161.56096	0.4
163.03935	1.6
163.06055	0.5
163.07500	0.6
163.11211	1.7
164.07152	0.8
164.10797	0.4
166.08655	3.4
167.07051	5.2
177.05492	6.9
177.06918	0.7
177.10265	1.7
177.12773	1.3
178.08647	1.2
179.03383	0.6
181.04938	0.4
187.11256	1.2
190.02647	0.4
193.04965	0.5
195.04817	0.8
195.06482	3.8
205.04953	0.7
205.12253	2.6
205.13947	0.5
209.01233	1.2
223.02597	2.0
223.05991	5.6
223.10922	2.2
223.13358	2.9
223.15210	0.8
223.17024	0.9
224.09340	0.5
225.04324	6.7
227.02258	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	223.0236
Annotation	Mompain
Peak:m/z	Relative Intensity
51.02381	1.0
52.31923	0.3
53.00303	0.8
53.03934	1.6
53.08383	0.4
55.01871	0.4
55.05499	1.8
57.07063	0.8
59.62202	0.4
61.28772	0.3
65.03615	0.7
65.03943	11.3
67.05508	2.7
68.99787	0.9
69.03414	1.5
69.07061	1.3
71.15450	0.3
71.51180	0.6
77.03937	4.8
79.01856	0.4
79.05488	1.5
81.07062	3.3
83.04974	1.4
83.08601	0.7
84.80403	0.4
89.03908	0.5
91.05475	1.7
93.03414	7.9
93.07041	2.4
95.04962	2.7
95.08614	2.3
97.02892	1.0
97.06529	0.8
99.08073	0.5
103.05462	0.8
105.03402	9.7
105.07053	1.3
107.04932	0.6
107.08571	2.4
109.06532	0.7
109.10184	1.9
111.04443	8.4
111.08067	0.6
111.11757	0.5
117.07016	0.7
119.08588	2.5
120.02087	1.5
121.02880	12.6
121.06511	1.6
121.10155	1.7
122.06787	0.5
123.04435	5.1
123.08044	0.9
123.11711	0.8
125.02331	0.5
125.06037	0.6
131.01295	0.5
131.04994	1.0
131.08589	1.1
133.02864	17.5
133.10100	0.5
135.08096	1.0
135.11716	1.2
137.09627	0.8
138.03104	0.5
138.82860	0.4
139.03914	39.4
140.04266	0.6
145.10133	0.9
149.02351	15.9
149.06047	0.6
149.09650	0.9
149.13289	0.6
151.03914	3.9
153.01805	1.6
155.67928	0.5
157.04961	0.7
159.00844	0.5
159.04413	1.0
159.11742	1.8
161.06010	0.7
161.13326	0.4
162.03065	0.5
163.07549	0.7
163.11182	1.1
163.14812	0.4
164.01021	0.9
165.05460	0.6
166.02509	0.4
167.03412	12.1
167.07115	0.6
177.01845	15.5
177.05460	0.6
177.09251	0.3
177.12784	1.5
179.03355	1.0
179.07104	0.5
181.01433	0.5
182.33334	0.5
192.00560	0.4
194.02112	1.5
195.02904	46.2
196.03151	0.7
205.01294	2.8
205.12245	1.9
223.02396	100.0
223.13127	2.2
223.16861	1.9
224.02727	1.6
224.11717	0.5
225.04301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.0
52.31923	0.3
53.00303	0.8
53.03934	1.6
53.08383	0.4
55.01871	0.4
55.05499	1.8
57.07063	0.8
59.62202	0.4
61.28772	0.3
65.03615	0.7
65.03943	11.3
67.05508	2.7
68.99787	0.9
69.03414	1.5
69.07061	1.3
71.15450	0.3
71.51180	0.6
77.03937	4.8
79.01856	0.4
79.05488	1.5
81.07062	3.3
83.04974	1.4
83.08601	0.7
84.80403	0.4
89.03908	0.5
91.05475	1.7
93.03414	7.9
93.07041	2.4
95.04962	2.7
95.08614	2.3
97.02892	1.0
97.06529	0.8
99.08073	0.5
103.05462	0.8
105.03402	9.7
105.07053	1.3
107.04932	0.6
107.08571	2.4
109.06532	0.7
109.10184	1.9
111.04443	8.4
111.08067	0.6
111.11757	0.5
117.07016	0.7
119.08588	2.5
120.02087	1.5
121.02880	12.6
121.06511	1.6
121.10155	1.7
122.06787	0.5
123.04435	5.1
123.08044	0.9
123.11711	0.8
125.02331	0.5
125.06037	0.6
131.01295	0.5
131.04994	1.0
131.08589	1.1
133.02864	17.5
133.10100	0.5
135.08096	1.0
135.11716	1.2
137.09627	0.8
138.03104	0.5
138.82860	0.4
139.03914	39.4
140.04266	0.6
145.10133	0.9
149.02351	15.9
149.06047	0.6
149.09650	0.9
149.13289	0.6
151.03914	3.9
153.01805	1.6
155.67928	0.5
157.04961	0.7
159.00844	0.5
159.04413	1.0
159.11742	1.8
161.06010	0.7
161.13326	0.4
162.03065	0.5
163.07549	0.7
163.11182	1.1
163.14812	0.4
164.01021	0.9
165.05460	0.6
166.02509	0.4
167.03412	12.1
167.07115	0.6
177.01845	15.5
177.05460	0.6
177.09251	0.3
177.12784	1.5
179.03355	1.0
179.07104	0.5
181.01433	0.5
182.33334	0.5
192.00560	0.4
194.02112	1.5
195.02904	46.2
196.03151	0.7
205.01294	2.8
205.12245	1.9
223.02396	100.0
223.13127	2.2
223.16861	1.9
224.02727	1.6
224.11717	0.5
225.04301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0236
Annotation	Mompain
Peak:m/z	Relative Intensity
51.02376	0.7
52.08035	0.3
53.00303	0.4
53.03948	1.7
54.72908	0.3
55.01855	0.8
55.05498	1.1
57.03419	0.4
57.07075	0.3
59.04988	0.5
65.03621	0.7
65.03944	13.4
67.05509	1.7
68.99783	0.6
69.03426	1.5
69.07065	0.8
70.02719	1.2
71.04970	0.4
77.03931	4.1
79.05482	1.4
81.03439	0.5
81.07042	1.6
83.04969	1.3
85.06569	0.6
91.05471	1.4
93.03409	7.8
93.07042	1.9
95.04977	2.4
95.08597	1.7
97.02891	0.9
97.06542	0.6
103.05450	0.5
105.03400	9.2
105.04481	0.7
105.07016	2.2
107.01325	0.7
107.04960	0.5
107.08604	1.7
109.06493	1.5
109.10147	1.2
111.04445	8.3
111.08074	0.6
119.04987	0.4
119.08566	1.1
120.02084	1.2
121.02871	12.2
121.06510	1.1
121.10142	2.1
123.04434	5.7
123.08054	0.7
125.02326	0.5
125.05963	0.4
131.01297	0.4
131.04936	1.3
131.08551	0.4
133.02859	18.0
133.06485	0.7
133.10071	0.4
135.08034	0.5
135.11729	0.8
137.09610	1.1
139.03908	43.5
139.11156	0.6
145.10103	0.6
147.04353	0.4
147.11671	0.5
149.02351	16.7
149.05997	0.7
149.09593	1.0
149.13350	0.5
151.03909	3.5
153.01839	1.5
153.05507	0.4
157.04964	0.7
159.00758	1.1
159.04387	1.2
159.11716	0.9
161.06036	1.1
163.11165	0.9
163.14859	0.6
164.01068	0.6
165.09142	0.6
166.02661	0.5
167.03412	16.1
167.07089	0.6
167.10620	0.6
168.03725	0.3
177.01843	16.9
177.05453	0.8
177.12749	0.8
179.03470	1.2
181.01337	1.6
187.14792	0.6
194.02129	2.1
195.02902	50.1
196.03188	0.8
197.27654	0.4
205.01331	1.9
205.05099	0.8
205.12306	1.2
205.15892	0.8
223.02388	100.0
223.09624	1.1
223.13177	2.2
223.16994	1.2
224.02713	1.3
225.04268	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78833	1.1
53.03949	2.1
54.13616	1.1
55.01865	1.5
55.05517	47.6
55.32672	1.0
56.96559	3.6
57.03443	11.7
58.99594	8.4
59.04999	3.0
59.96706	1.1
65.03935	1.3
70.06583	3.1
70.73479	3.2
73.06561	12.8
73.51369	1.1
74.00667	2.6
76.02207	2.9
83.04987	62.2
84.04481	1.2
85.01119	3.1
86.99075	8.1
87.02696	65.0
88.03968	1.4
91.05499	1.4
93.07034	2.3
95.06133	1.2
98.97573	4.1
101.06029	32.4
103.05472	1.4
105.00090	5.2
110.97569	1.3
115.02156	7.7
116.98589	1.8
119.04912	1.2
120.08109	1.3
121.06518	19.3
121.29383	1.1
133.03197	100.0
134.06024	2.6
153.01833	4.9
158.06366	3.1
162.05479	3.3
164.10738	2.1
176.03648	1.4
176.07179	2.2
176.09065	1.2
194.08134	2.4
204.06891	6.9
204.10182	1.5
205.05324	41.1
205.07269	2.0
222.04425	1.8
222.07793	9.7
222.11263	5.9
222.14944	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78833	1.1
53.03949	2.1
54.13616	1.1
55.01865	1.5
55.05517	47.6
55.32672	1.0
56.96559	3.6
57.03443	11.7
58.99594	8.4
59.04999	3.0
59.96706	1.1
65.03935	1.3
70.06583	3.1
70.73479	3.2
73.06561	12.8
73.51369	1.1
74.00667	2.6
76.02207	2.9
83.04987	62.2
84.04481	1.2
85.01119	3.1
86.99075	8.1
87.02696	65.0
88.03968	1.4
91.05499	1.4
93.07034	2.3
95.06133	1.2
98.97573	4.1
101.06029	32.4
103.05472	1.4
105.00090	5.2
110.97569	1.3
115.02156	7.7
116.98589	1.8
119.04912	1.2
120.08109	1.3
121.06518	19.3
121.29383	1.1
133.03197	100.0
134.06024	2.6
153.01833	4.9
158.06366	3.1
162.05479	3.3
164.10738	2.1
176.03648	1.4
176.07179	2.2
176.09065	1.2
194.08134	2.4
204.06891	6.9
204.10182	1.5
205.05324	41.1
205.07269	2.0
222.04425	1.8
222.07793	9.7
222.11263	5.9
222.14944	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	0.4
68.62355	0.3
70.27640	0.3
70.72583	0.4
70.72910	0.6
82.49135	0.3
93.41244	0.3
98.97556	0.8
101.00897	1.4
102.94392	0.3
119.01924	1.7
120.95367	1.7
138.96423	23.9
139.96556	0.6
148.95976	0.4
150.58481	0.3
156.97487	100.0
157.97595	2.1
158.97841	0.4
161.98041	0.4
174.98546	41.9
175.98674	1.0
179.99097	2.4
180.97398	2.0
198.00192	1.4
198.98549	30.2
199.98657	0.4
216.99608	42.8
217.99780	1.7
240.01164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.03919	1.0
53.03949	1.8
55.05508	11.3
57.03419	1.3
57.07076	3.2
64.57535	1.3
65.03931	1.8
67.05515	14.6
69.03422	1.8
69.07073	15.4
69.40079	8.2
69.40483	2.3
71.05001	23.3
72.08158	3.0
73.06563	1.8
79.05503	17.1
81.07059	62.1
83.04958	1.6
83.08614	6.4
85.06540	2.1
91.05482	18.5
93.07047	46.0
95.04989	1.8
95.08611	34.5
97.06550	3.6
97.10152	4.3
98.21452	2.3
99.08063	4.6
103.05457	2.6
105.07037	31.5
107.08598	65.4
109.06505	4.2
109.10162	25.4
111.08092	2.8
111.11694	1.4
113.09657	1.5
117.07002	1.4
119.04964	5.6
119.08589	42.8
121.06499	2.8
121.10154	14.0
123.08056	5.5
123.11718	14.6
125.09624	2.5
127.11195	6.4
131.04958	2.5
131.08546	1.6
133.09135	1.7
133.10133	22.8
135.08005	2.5
135.11697	100.0
137.09624	6.2
137.13226	2.9
139.11194	1.5
145.10149	1.8
147.04405	7.1
147.09119	1.3
147.11687	24.7
149.02304	1.2
149.13249	9.8
151.11208	5.9
153.01852	2.1
159.11670	1.5
161.09639	2.9
161.13269	12.3
163.14847	5.0
165.05481	2.8
165.12721	4.0
175.03944	4.5
175.07475	1.9
175.11147	2.1
175.14813	4.8
177.05450	1.4
177.12730	4.4
177.16362	3.1
191.22699	1.1
193.04962	5.3
201.38875	1.1
203.03384	7.8
203.17978	38.3
203.33369	1.2
206.16246	1.6
221.04509	18.4
221.07925	2.1
221.15480	2.9
221.19022	58.5
222.19383	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.63074	2.0
53.03950	2.9
55.05515	18.0
57.07074	5.8
58.39882	2.2
63.79969	2.2
65.03938	2.2
67.05502	14.6
69.03428	5.2
69.07056	14.3
69.86775	2.1
70.61466	2.3
70.61825	6.4
71.05000	25.5
79.05481	21.9
81.07057	79.1
81.82552	2.2
83.04975	6.4
83.08620	8.0
85.06519	2.6
91.05475	30.7
93.07047	57.7
95.04960	4.9
95.08609	42.5
97.06534	4.1
97.10150	2.6
99.08070	4.6
103.05454	5.7
105.07037	47.3
107.04966	3.1
107.08597	65.5
109.06493	6.2
109.10165	34.8
111.08083	7.1
117.06998	2.6
119.04941	8.8
119.08585	61.0
121.06506	7.6
121.10111	11.4
123.08062	5.9
123.11731	22.5
125.09628	4.4
127.11202	6.8
131.04881	2.9
131.08623	3.7
133.06587	3.2
133.10143	32.4
135.08118	4.5
135.11693	100.0
137.05968	4.8
137.09604	7.3
137.13223	5.4
145.10129	5.6
147.04431	19.6
147.08014	3.0
147.10648	3.1
147.11700	29.5
149.02267	3.5
149.13277	12.4
151.03880	3.8
151.11197	6.6
161.09610	6.4
161.13248	15.8
163.11122	2.8
163.14816	7.6
165.05496	5.2
175.03940	6.8
175.07578	5.6
175.11235	6.7
175.14828	7.6
177.09077	5.6
177.16522	2.2
193.04979	7.2
193.15948	2.7
194.52310	2.4
203.03409	13.7
203.10654	2.5
203.14369	6.0
203.17929	40.7
206.16263	6.0
208.84865	2.3
221.04436	31.3
221.07864	4.3
221.11763	7.8
221.15686	11.9
221.19032	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	221.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04523	0.2
52.98490	0.2
55.05503	0.4
57.03421	0.3
59.36808	0.2
67.05509	0.5
69.03413	0.4
69.07053	0.3
71.04984	0.4
71.24284	0.4
79.05468	0.6
81.07059	0.8
83.04961	0.6
85.02898	0.2
91.05479	1.8
93.07056	1.1
95.04961	0.5
95.08601	0.9
97.06503	0.4
99.04434	0.2
103.05461	0.3
105.07033	1.9
107.04965	0.2
107.08587	0.7
109.06523	0.5
109.10137	0.7
111.04356	0.2
111.08089	0.3
115.05450	1.3
116.06236	0.8
117.07024	4.8
118.79777	0.2
119.04922	0.7
119.08601	1.8
121.06493	1.2
121.10121	0.6
123.08076	0.6
128.06259	1.0
129.07004	0.3
130.06561	0.2
131.04889	0.3
131.08551	0.6
133.06477	0.9
133.10138	1.5
134.07271	1.0
135.08038	0.8
135.11719	0.4
137.06018	0.5
137.09598	0.4
142.07806	0.3
143.04837	0.3
143.08549	1.3
144.05727	0.7
145.06491	0.8
145.10098	0.3
147.04391	0.7
147.08072	0.4
147.11670	0.7
149.02353	0.7
149.09584	0.6
150.60231	0.2
157.10144	0.4
159.11736	0.4
160.05205	0.4
161.05995	0.6
161.09650	1.0
161.13211	0.3
162.06764	5.4
171.08086	0.6
175.07526	2.8
175.11214	1.0
175.14845	0.3
175.87772	0.2
177.09108	100.0
178.09424	1.7
203.10654	1.1
203.14352	0.4
203.17979	0.2
221.04411	0.4
221.08063	0.4
221.09879	0.3
221.11761	1.5
221.15337	1.5
221.17279	0.6
221.19124	0.3
222.11203	0.3
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	Penienone
Peak:m/z	Relative Intensity
53.03944	3.4
55.01876	2.7
55.05502	3.6
57.07086	1.2
59.05006	1.2
62.70208	0.7
65.32346	0.7
67.05509	13.0
69.07069	5.8
75.53286	0.9
77.03942	1.0
78.50221	0.7
79.05498	24.4
81.07071	13.4
83.08627	2.3
85.06555	1.9
87.04424	0.9
91.04904	1.2
91.05486	31.8
93.07049	35.1
95.04977	3.7
95.08611	4.7
97.06526	0.9
98.20760	2.8
98.21476	3.8
101.06058	1.4
103.05476	1.0
105.04549	0.8
105.07044	33.1
106.27001	0.8
107.08606	8.6
108.08915	0.9
109.06533	2.2
109.10176	1.2
111.08109	1.2
115.05406	0.9
117.07028	2.7
119.08592	19.6
121.06530	4.9
121.10155	2.0
123.08046	2.5
128.06285	1.1
129.07022	7.3
131.08578	1.9
133.06482	0.8
133.10164	6.6
134.62518	0.8
135.08064	1.3
137.06015	1.2
137.09663	1.4
143.08594	6.1
145.10149	11.2
147.08055	2.2
147.11699	100.0
148.12083	1.9
152.76994	0.8
161.09634	2.9
161.13249	18.5
171.11700	29.0
175.11203	1.9
189.12759	29.1
203.14267	1.2
206.10921	1.0
206.16255	1.7
221.04427	2.3
221.11775	2.0
221.15358	14.9
229.15878	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0923
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
70.71887	0.8
70.72224	1.6
74.02448	0.7
75.14962	0.7
82.02937	2.1
91.03230	0.7
91.52617	0.7
92.12267	0.6
94.06580	4.0
120.08076	1.6
127.87117	0.7
130.06543	72.7
131.06885	1.5
132.04471	47.0
142.01904	0.8
147.09282	1.0
148.07564	3.8
156.06894	1.0
157.07629	39.8
158.06027	86.5
175.08685	100.0
176.07059	1.8
176.09082	1.9
186.05536	2.2
194.78877	0.7
203.08186	15.1
204.06560	5.6
221.09221	18.0
236.68518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1174
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03936	4.9
53.58179	2.1
55.01868	6.6
55.05503	8.0
57.07073	3.1
59.05001	5.0
67.05503	16.7
68.49746	2.6
68.99787	3.0
69.03429	30.7
69.07062	7.0
70.95164	3.6
71.04998	2.8
79.05497	16.4
81.03393	4.4
81.07062	21.4
83.04976	43.3
85.06541	5.7
88.62405	2.5
91.05489	37.3
93.07046	28.0
95.01321	23.7
95.04983	24.8
95.08598	6.2
97.02880	5.4
97.06551	3.5
105.07032	50.4
107.04951	10.3
107.08603	14.7
109.06529	27.2
109.10138	8.1
109.51958	2.7
111.04453	9.0
111.08072	5.6
113.05992	18.9
115.05411	4.9
117.07006	6.6
119.04910	9.7
119.08585	37.8
121.06519	21.8
121.10133	8.0
123.04428	3.0
123.08072	40.1
129.07019	6.9
131.04837	2.6
131.08578	8.4
133.06517	17.8
133.10135	72.8
135.08037	8.7
135.11786	3.2
136.08810	7.0
137.05972	32.5
137.09612	10.8
138.10391	12.1
142.07741	12.0
143.08601	5.0
144.09274	3.0
145.06529	6.1
145.10052	2.8
146.07224	5.6
147.04401	15.8
147.08008	8.1
147.11688	41.9
149.09691	3.0
151.07542	3.7
153.09172	2.6
157.10143	25.1
159.08066	3.1
159.11690	11.5
160.08812	12.2
161.06004	13.9
161.09622	89.7
163.07535	4.3
165.05486	13.1
175.07503	5.2
175.11183	100.0
177.09138	3.0
177.12807	4.7
179.06935	2.8
179.10687	10.5
185.09604	7.2
188.08287	9.8
193.12242	4.6
203.10661	50.3
221.11723	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1174
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03947	3.7
55.01875	9.9
55.05304	1.0
55.05518	10.9
57.07085	2.0
57.77204	0.9
59.04988	1.0
60.04528	1.8
65.03935	3.3
65.52768	0.9
67.05505	9.8
69.03434	12.0
69.07080	5.7
69.62799	4.5
69.63226	2.1
70.83643	1.0
73.02926	1.5
73.06576	0.8
77.03927	1.5
79.05501	13.4
81.03426	1.6
81.07065	15.7
83.01354	1.8
83.04991	13.1
83.08623	2.4
85.02914	2.0
85.06542	1.6
91.05489	27.0
93.07050	20.2
95.01354	1.9
95.04987	5.5
95.08620	6.9
97.02849	1.6
97.06546	1.4
102.05539	2.5
103.05447	1.6
105.03386	1.8
105.07040	46.2
107.04974	6.5
107.08600	20.3
108.09406	2.5
109.06525	9.7
109.10155	10.8
111.04456	2.7
111.08111	3.8
113.06055	1.0
115.05456	2.6
117.07017	9.8
118.07832	1.1
119.04936	8.3
119.08595	29.9
121.02882	6.7
121.03987	1.0
121.06519	11.6
121.10157	9.4
123.04426	2.6
123.08077	61.1
123.11697	1.9
128.06262	3.5
129.07047	4.8
130.06512	1.5
131.04985	1.0
131.08603	6.2
132.04533	1.4
133.06508	15.6
133.10141	60.5
135.04398	1.3
135.08041	6.7
135.11736	5.8
136.08824	4.7
137.05986	11.5
137.09639	12.3
138.10410	19.9
141.06976	1.8
142.07787	9.8
143.04935	1.2
143.08571	4.0
144.05730	1.5
144.09338	1.9
145.06517	6.5
145.10172	6.0
146.06161	1.1
146.07274	3.4
147.04436	15.3
147.06323	1.2
147.08060	7.5
147.11696	25.8
149.02353	60.3
149.09639	4.0
150.02780	1.3
151.03908	1.9
151.07628	2.4
151.11176	1.5
153.09120	1.2
157.07652	1.3
157.10130	18.1
158.06018	2.2
159.08136	2.2
159.11711	6.7
160.05301	1.2
160.08833	12.1
161.06032	12.8
161.09639	56.3
161.13278	3.7
162.05576	1.2
162.06805	2.8
163.07487	1.2
163.11206	3.3
165.05510	7.5
165.09222	1.4
171.08104	1.3
173.09732	1.0
175.07547	7.0
175.08754	3.3
175.11198	100.0
175.14903	2.9
176.11627	1.0
177.09117	60.6
177.12680	2.2
178.09464	1.5
179.03366	1.0
179.10687	19.5
185.09666	2.4
188.08337	7.2
193.12299	3.1
193.16000	1.5
203.10660	23.3
203.14294	3.3
203.17917	1.3
206.16283	2.0
221.04445	2.7
221.07965	3.5
221.11765	50.9
221.15144	11.6
221.18784	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34263	0.3
53.03938	0.5
55.01863	0.7
55.05514	4.1
65.03940	2.7
67.05496	1.0
69.03418	0.6
69.07052	1.0
69.22633	0.3
70.06579	0.3
71.04981	0.5
72.08156	0.4
73.06548	0.7
79.05479	1.3
81.07059	2.2
83.04969	1.2
83.08642	0.3
83.12818	0.2
83.26972	0.2
91.05471	2.3
92.67090	0.3
93.03398	0.9
93.07039	2.2
95.04977	1.0
95.08614	1.5
97.02866	0.3
97.06525	0.4
99.04449	0.5
103.05446	0.4
105.03416	0.5
105.07025	3.3
106.03716	0.8
107.04964	0.9
107.08604	1.2
109.06529	1.0
109.10155	1.1
111.04478	0.5
111.08100	1.0
115.05477	0.6
117.06960	0.6
117.41760	0.3
119.04955	0.6
119.08582	2.7
121.02866	7.9
121.03962	1.6
121.06508	1.4
121.10155	1.3
123.04412	0.4
123.08065	1.4
128.06238	0.5
129.07037	1.2
130.06517	0.9
131.04988	0.4
131.08575	0.8
132.04416	0.5
133.06509	0.8
133.10139	2.3
135.04433	0.2
135.08060	0.5
135.11716	0.6
137.05978	1.1
137.09619	1.1
138.10379	0.3
143.04964	0.5
143.08589	0.5
145.06464	0.3
145.10133	0.4
147.04390	0.7
147.05457	0.3
147.08054	0.7
147.11714	1.2
149.02345	100.0
149.13416	0.3
150.02672	1.3
151.03920	0.8
151.07590	0.4
157.06487	0.3
157.07617	0.4
157.10106	0.7
158.06052	1.0
159.08037	0.3
159.11719	0.3
160.08852	0.3
161.05994	2.9
161.07147	0.4
161.09601	2.1
161.13255	0.8
162.05518	0.3
163.07530	0.4
163.11176	0.4
165.05540	0.4
167.03423	0.9
175.07492	3.9
175.08780	0.9
175.11148	2.0
175.14867	0.8
176.07184	0.4
177.09099	1.7
179.10622	0.5
185.05925	0.3
185.13252	0.3
193.12283	0.4
193.15904	0.4
194.08115	0.5
203.06937	1.3
203.10684	2.1
203.14352	0.6
206.16187	0.9
221.04414	0.9
221.07951	1.4
221.11804	2.1
221.15317	1.5
221.19028	0.2
222.11346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0809
Annotation	Montadial A
Peak:m/z	Relative Intensity
53.03957	1.2
55.01864	2.8
55.05514	8.9
57.07063	1.5
65.03935	2.9
67.05511	5.6
68.99786	2.4
69.03422	2.9
69.07060	4.4
69.90360	5.1
70.06574	1.3
70.37209	1.0
71.05007	5.1
73.06570	1.4
79.05495	7.6
81.03439	1.2
81.07069	14.4
83.04977	3.9
83.08605	2.5
91.05486	13.0
93.07050	12.9
95.04980	1.8
95.08617	8.9
99.08156	1.7
103.05464	2.9
105.03388	2.3
105.07046	15.4
107.04953	2.5
107.08602	20.0
108.09090	1.1
109.06512	3.2
109.10164	6.2
111.04436	1.3
111.08111	2.0
115.05476	2.2
117.06999	2.8
119.04933	2.3
119.08588	24.9
121.02863	6.5
121.06516	3.0
121.10162	4.2
123.04434	4.2
123.08057	2.9
123.11697	4.0
128.06219	5.5
129.07013	29.8
131.04919	3.1
131.08606	1.4
132.05688	3.5
133.02841	6.2
133.06500	3.6
133.10135	11.8
135.08015	2.1
135.11699	28.0
137.02364	1.3
137.05997	3.1
137.09601	2.0
137.13286	1.5
139.03931	13.0
143.04976	1.9
145.06461	3.2
147.04407	5.3
147.06947	2.1
147.08066	31.9
147.11719	9.0
149.02354	77.5
149.13260	2.0
150.02638	1.5
151.03941	4.9
151.11212	1.8
157.06502	31.9
157.10123	1.5
159.04396	1.4
160.05219	4.9
161.05998	4.7
161.09660	2.6
161.13361	4.9
163.14870	2.0
165.01830	3.5
165.05504	2.1
165.09111	2.2
172.53363	1.1
173.06013	1.6
175.07559	70.4
175.11111	2.1
175.14845	2.5
176.07852	2.0
177.05527	1.2
177.09135	5.5
178.06216	2.5
179.03409	27.3
179.07018	7.7
180.04082	1.4
185.06013	2.9
193.08620	100.0
194.08952	2.9
203.07045	8.6
203.10561	1.2
203.14232	2.5
203.17984	9.9
206.05765	1.4
221.04509	3.3
221.08095	69.8
221.11713	4.4
221.15341	4.8
221.18994	13.2
221.22021	23.7
222.08392	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0444
Annotation	Buntansin
Peak:m/z	Relative Intensity
51.02388	0.5
53.03930	0.8
55.01869	3.6
55.05517	2.1
57.03419	0.5
57.07056	0.9
65.03931	3.1
67.05511	2.9
68.99781	1.0
69.03414	2.0
69.07070	2.5
69.46696	1.4
69.47118	1.8
71.04996	1.1
77.03915	1.3
79.01837	0.7
79.05493	3.5
81.03390	0.5
81.07057	7.3
83.04967	1.3
83.08630	1.0
91.05482	29.3
92.05797	0.7
93.07048	5.1
95.01303	0.5
95.04945	2.5
95.08617	3.0
97.06536	1.0
97.47751	0.4
101.03876	0.6
103.05466	12.0
105.03374	1.3
105.04481	0.5
105.07043	5.7
107.04974	2.0
107.08601	3.8
109.06507	2.1
109.10155	3.7
109.65953	0.4
111.08096	1.0
115.05470	0.5
117.07014	1.1
119.04943	25.1
119.07799	0.8
119.08587	8.3
121.02876	1.0
121.06476	2.4
121.10141	2.0
123.04424	1.3
123.08070	1.4
123.11693	1.2
125.02335	0.5
125.09686	0.5
129.03406	2.1
129.04227	0.5
130.06468	0.6
131.04929	8.0
133.02837	1.6
133.06425	0.5
133.10139	5.2
135.04443	0.5
135.08018	1.5
135.11676	2.3
137.02312	0.8
137.05960	2.7
137.09590	1.7
139.03896	1.0
141.11497	0.6
142.07767	0.5
143.08562	0.7
145.06403	1.0
145.10107	1.8
147.04414	42.6
147.06903	1.1
147.08076	0.8
147.11684	3.2
148.04849	0.8
149.02350	7.5
151.03889	2.1
151.07544	0.5
151.11237	0.8
153.01837	8.0
157.02878	1.7
157.10156	1.0
158.06065	0.6
159.04428	9.3
159.11700	1.0
160.08859	0.5
161.02356	0.5
161.05980	0.7
161.09616	1.8
161.13278	3.1
163.11249	0.7
165.04164	0.8
165.05486	10.7
165.08997	0.5
165.12695	0.5
168.58389	0.5
175.03909	25.5
175.06416	1.0
175.08800	0.5
175.11157	2.5
175.14783	2.2
176.04620	0.6
177.05481	2.9
177.09088	1.2
179.03435	2.5
179.10701	0.5
179.14340	0.6
185.13197	0.6
193.04973	26.1
201.05420	0.5
203.03400	36.2
203.06136	2.0
203.10687	0.8
203.14346	2.2
203.17941	1.8
204.06468	0.5
206.16267	1.2
220.21822	3.3
221.04457	100.0
221.11525	2.6
221.15334	5.4
221.19019	2.4
221.22015	1.2
222.04881	2.8
234.40987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77933	0.2
57.07085	0.5
67.05501	0.4
69.07067	0.4
71.01583	0.3
71.01904	0.3
72.04514	0.6
72.08154	0.9
75.47563	0.2
84.04492	0.3
85.06536	0.5
89.03891	0.2
90.05560	2.8
91.05495	0.5
95.05006	0.5
98.02419	0.7
103.07585	0.3
104.04990	0.4
105.03398	1.4
105.07060	0.6
115.06847	0.3
120.08160	0.3
121.06519	0.8
124.07606	0.3
131.08598	0.3
132.04459	3.2
132.08934	0.3
134.05954	0.3
136.06227	0.4
137.05952	0.8
145.10127	0.6
148.07564	0.6
150.05507	1.6
152.93536	0.2
160.03955	1.4
160.08380	0.3
161.09595	0.3
175.07179	0.4
176.10681	1.2
177.12729	0.5
178.04997	100.0
179.05371	1.4
184.09770	0.6
187.06992	0.3
190.09425	0.7
202.08969	0.3
202.10786	0.7
204.14642	0.8
205.15901	4.2
206.04488	20.0
207.04692	0.4
220.06059	26.3
220.09756	2.0
220.13359	0.8
220.17795	2.2
221.06413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.11181	0.9
55.05501	1.3
57.07082	7.1
58.75766	0.8
59.05010	5.5
60.97948	0.9
62.15097	1.0
65.81642	0.8
67.05517	5.3
69.07072	5.0
70.02954	7.7
71.13976	2.0
72.04150	1.5
72.04523	16.9
72.04922	0.7
73.02904	3.8
83.04399	0.8
83.04967	1.4
85.06551	12.4
86.09703	1.8
87.08083	2.1
87.77341	0.8
90.05563	100.0
95.04981	6.9
96.08120	1.7
98.02428	17.7
100.03968	1.9
103.03988	1.2
103.07583	7.0
103.63624	1.0
113.06013	3.5
116.03467	14.2
124.07605	20.1
142.08624	7.5
156.10182	1.2
160.09706	2.9
166.08739	1.9
173.86450	0.9
174.11272	2.5
184.09714	21.0
202.10767	29.2
205.15846	1.9
220.09787	1.3
220.11797	29.1
220.17950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1696
Annotation	Fabianine
Peak:m/z	Relative Intensity
55.05499	1.1
57.07056	0.5
67.05502	0.3
69.07053	0.4
71.51286	0.3
72.08143	0.7
79.05505	0.3
81.07036	0.4
83.08617	0.4
90.05538	0.4
91.05473	0.9
93.07051	0.6
95.04980	0.4
95.08592	0.3
103.05452	0.6
105.07024	0.9
107.08582	0.5
118.05712	0.5
118.06549	10.0
119.07328	0.3
119.08556	0.5
120.08109	1.4
121.06496	2.8
121.10128	0.5
122.10481	0.3
131.04884	0.5
131.08557	0.3
132.08083	2.8
133.08852	1.1
133.09938	0.3
134.09645	0.7
134.10512	0.4
137.05956	0.3
145.10193	0.6
146.09607	2.6
147.10420	0.4
147.11644	0.3
149.02351	0.7
151.03912	0.5
152.04286	0.4
160.11143	0.6
161.06053	0.4
162.09134	5.7
165.09163	0.3
175.07458	0.5
176.07985	0.6
176.10759	4.0
176.14355	28.4
177.09149	0.8
177.11455	1.4
177.12773	0.6
177.14517	0.3
178.12221	0.3
178.49120	0.3
179.86473	0.4
188.03511	0.3
189.12715	0.4
190.09462	0.7
190.12267	3.2
202.15921	1.1
203.14368	0.4
204.14612	0.9
205.15889	5.4
220.09879	2.1
220.16957	100.0
221.04202	0.3
221.11681	0.3
221.15425	0.4
221.17282	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1341
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
53.03960	1.0
55.01880	0.9
55.05519	1.8
56.05042	0.7
56.18368	0.5
56.96561	4.8
57.03444	0.7
57.07082	1.6
57.81834	0.5
57.85144	0.6
59.05004	0.6
60.04530	100.0
60.66984	0.7
61.02942	1.6
65.03963	0.9
67.05515	1.9
67.96268	0.5
69.03444	1.7
69.07082	2.0
70.02955	1.3
70.06609	1.8
71.01352	2.3
72.04531	2.1
72.08160	6.1
73.02932	1.4
74.02472	0.8
74.06091	3.0
75.04480	2.8
79.05511	1.3
81.03434	2.3
81.07073	1.3
83.05014	0.9
84.08165	2.2
85.02928	2.6
85.06577	1.3
86.09711	70.1
87.04488	1.5
87.05598	3.6
87.10026	0.6
90.05561	9.1
91.05483	2.8
93.07060	1.6
95.04967	1.8
95.08607	0.6
95.64348	0.6
97.02895	0.8
98.02422	1.6
98.97594	8.7
99.04468	0.8
103.03937	2.8
103.05480	1.2
105.07040	2.0
107.05014	0.8
107.08587	1.4
109.02902	1.5
109.06555	1.1
110.97586	1.4
111.04467	1.4
113.06009	1.0
115.05495	0.6
116.03436	1.7
116.98627	4.7
117.07026	1.0
119.04971	0.8
119.08569	2.9
120.08138	1.1
121.06502	4.0
121.10172	3.0
121.26221	0.6
123.04465	1.1
123.07968	0.6
124.07598	2.4
128.06224	0.6
128.07065	1.0
128.10735	2.2
128.98619	0.9
129.06993	1.3
130.06560	0.7
131.00162	0.7
131.03424	1.7
131.04942	1.3
131.08575	1.4
132.10213	48.7
133.10170	2.1
134.99651	1.0
135.11816	0.6
136.93088	0.8
140.57350	0.6
143.00232	0.9
145.04970	0.7
145.06502	1.0
145.08942	0.9
145.10132	1.5
146.06061	0.9
147.04446	1.0
147.11723	0.9
149.06000	0.8
154.94173	2.2
155.07095	0.9
155.11789	1.0
156.10222	0.7
157.07690	0.7
158.06017	1.1
158.11778	2.3
158.99695	1.7
159.02919	4.1
159.04115	0.7
159.08081	1.2
160.11227	25.3
161.09563	0.8
161.13295	1.4
163.07611	1.0
167.03423	1.1
172.09773	0.7
172.95242	1.9
173.01338	0.6
173.05952	1.3
173.09645	1.3
173.12866	26.9
174.09117	0.6
177.00711	1.8
177.09105	1.2
184.09756	1.9
187.10909	0.6
190.96390	0.7
191.07028	0.7
191.10703	1.9
201.05391	0.6
201.12396	3.8
202.10724	4.1
203.14326	14.7
205.15851	0.8
218.56328	0.9
219.06561	3.4
219.08443	0.6
219.09999	0.7
219.11293	1.8
219.13223	8.8
219.15227	1.5
219.17441	43.8
220.09708	3.4
220.11827	2.1
220.13666	0.8
220.17819	0.8
221.99330	0.6
237.02869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	5,6-Dimethoxy-2-isopropenylbenzofuran
Peak:m/z	Relative Intensity
53.03936	0.6
55.01860	1.8
55.05499	1.5
57.07056	0.5
65.03936	0.8
66.87401	0.4
67.05514	3.1
69.03434	1.2
69.07059	2.1
69.46359	2.6
69.46771	1.2
71.04992	1.2
78.04716	0.6
79.05501	3.7
81.03379	0.9
81.07057	4.6
81.67280	0.5
83.04987	1.2
83.08587	0.6
85.06530	0.5
86.09735	1.2
87.04456	0.5
91.05485	14.3
93.07051	3.6
95.04969	1.2
95.08628	2.8
97.06522	1.7
98.21532	0.6
98.97589	1.0
102.05528	1.1
103.03920	0.6
103.05479	4.3
104.06262	2.3
105.03395	1.9
105.07037	8.3
107.04939	2.2
107.08569	3.0
109.02840	0.5
109.06479	0.9
109.10159	1.5
111.08054	0.5
115.05460	10.7
116.06231	1.9
117.07016	9.5
119.04967	0.7
119.08584	6.1
120.08071	1.0
121.06490	2.0
121.10126	3.1
123.04350	0.7
123.08061	1.1
128.06252	3.3
129.07008	8.5
130.07771	2.0
131.04935	6.5
131.08572	12.1
131.15807	0.5
132.05707	5.4
133.06456	1.0
133.10133	5.0
135.04407	0.9
135.08043	3.3
135.11671	0.8
137.05971	1.4
141.06992	7.1
142.07686	0.9
143.04887	0.8
143.08525	1.3
144.05692	3.0
145.06487	7.6
145.10162	4.1
146.06010	1.3
146.07256	1.5
147.04401	1.0
147.08052	5.5
147.11684	1.3
149.06007	1.0
149.09634	0.7
151.03902	3.1
155.06017	1.1
155.08533	1.1
157.06483	5.3
157.10138	1.6
158.07262	4.7
159.04398	1.1
159.08061	7.1
159.11685	4.9
160.05188	5.9
160.08820	0.7
161.05977	0.9
161.09624	1.8
161.13277	1.6
163.03853	0.9
163.07542	1.2
163.11147	0.6
163.14908	0.5
169.06445	2.3
170.07370	1.0
173.05952	2.7
173.09637	1.5
173.13222	4.1
174.06775	21.8
175.07549	25.6
175.14890	0.6
176.04797	0.6
176.08281	1.0
177.09111	0.8
177.12744	0.8
183.11636	0.8
186.06723	3.4
187.07553	1.1
188.08327	0.9
189.09114	14.6
191.07045	1.6
191.10675	1.8
191.14317	0.6
201.05457	1.6
201.09056	6.4
201.12726	2.9
201.16418	1.5
203.14355	6.6
219.10164	100.0
219.13757	6.1
219.17419	24.2
219.19633	1.1
220.10417	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	Bitalin A
Peak:m/z	Relative Intensity
55.05503	2.3
57.03428	1.9
58.72567	0.8
63.23660	0.9
67.05506	4.6
68.99774	1.1
69.03433	1.1
69.07050	1.2
69.52436	5.0
69.52834	1.7
71.01357	1.0
71.04993	2.4
75.38989	0.9
79.05480	3.0
81.07069	7.7
83.04975	1.0
91.05487	16.9
93.07047	5.7
95.04958	2.1
95.08588	4.1
97.06544	1.6
103.05486	6.6
105.03390	7.2
105.07029	12.5
107.08578	3.7
109.06510	1.1
109.10156	3.1
115.05453	12.5
116.06274	4.6
117.07021	5.7
119.04948	1.4
119.08564	6.7
121.06484	2.5
121.10139	4.5
123.04427	2.6
125.09582	3.3
128.06212	8.7
129.07016	43.7
130.07817	4.3
131.04947	12.2
131.08572	38.6
133.06479	1.4
133.10132	16.3
135.08003	1.0
135.11659	1.2
137.05995	6.1
141.07002	38.9
142.07556	0.9
143.04938	2.7
143.08568	2.8
144.05702	6.2
145.05550	1.1
145.06514	10.5
145.10124	5.4
146.07263	5.5
147.11642	3.1
148.05214	1.6
149.06021	5.9
149.07082	1.3
151.03909	20.9
151.07588	1.2
157.06490	22.6
157.10158	1.7
158.07288	27.6
159.04408	3.3
159.08060	28.4
159.11688	4.5
160.05188	5.7
161.05980	0.9
161.09674	4.4
161.13246	4.4
163.03946	1.0
163.06241	1.1
163.07451	5.3
163.11234	1.1
169.06467	15.6
169.07672	1.9
170.07295	6.8
171.04356	2.2
173.06010	6.9
173.09566	2.1
173.13162	1.7
174.06770	73.9
175.07562	14.3
177.05380	1.5
177.09201	1.0
185.06026	2.2
186.06784	18.0
187.07559	2.1
188.08325	4.6
189.09120	100.0
190.09628	1.7
191.07024	2.1
191.10690	7.0
201.09100	38.7
201.12933	1.6
201.16386	3.4
202.08670	1.0
203.14317	7.6
219.02898	2.3
219.06589	2.9
219.10162	97.1
219.13774	5.0
219.17427	32.3
220.10345	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.03945	1.5
55.05491	2.8
57.03420	1.9
57.07058	1.3
59.79494	1.1
66.33627	1.1
67.05493	3.2
67.66834	1.1
69.03404	1.8
69.07045	2.6
69.37797	10.1
70.49305	1.1
72.08144	1.3
79.05482	5.7
81.07051	6.5
83.04971	1.6
83.08619	1.3
91.05485	17.9
93.07051	9.2
95.04924	2.0
95.08588	4.9
97.06562	1.2
103.05436	5.0
105.07051	11.9
107.04954	2.0
107.08604	5.5
109.06496	2.2
109.10130	1.4
111.04423	1.4
112.04706	1.5
115.05463	12.7
116.06225	5.3
117.06989	8.0
119.07925	1.0
119.08595	9.3
121.06498	4.0
121.10125	8.6
123.08076	2.2
127.05464	1.6
128.06233	11.5
129.07008	44.0
130.07770	3.8
131.04950	9.8
131.08572	52.7
133.06467	1.6
133.10141	7.7
135.08054	1.6
135.11697	1.5
137.05974	5.3
141.06990	43.2
143.04944	1.8
143.08508	3.6
144.05664	8.5
144.09314	1.2
145.06476	14.0
145.10139	7.0
146.07263	7.1
147.08070	2.3
147.11700	2.4
148.05186	1.4
149.05966	1.5
149.09625	1.8
151.03879	2.0
151.07547	1.8
155.06018	2.3
157.06494	25.9
158.07272	25.2
159.04391	4.8
159.08073	34.5
159.11679	5.6
160.05211	6.7
161.05937	1.5
161.09624	7.2
161.13245	4.5
162.06754	2.0
163.07492	3.0
163.11230	1.7
168.05730	1.8
169.06450	15.3
169.07631	2.5
170.07245	6.8
171.08020	1.6
173.05975	11.6
173.09573	2.9
173.13235	6.3
174.06767	86.6
175.07556	14.7
175.14841	2.2
176.04655	2.8
177.05519	2.3
177.09076	4.9
186.06755	21.1
187.07484	3.5
188.08257	4.3
189.09108	99.3
190.09476	2.1
191.06931	2.4
191.10663	9.5
191.14281	2.0
201.05501	8.7
201.07257	2.7
201.09100	42.3
201.12779	2.1
201.16417	2.7
203.14307	18.9
211.83469	1.4
219.03040	2.4
219.06548	7.6
219.10152	100.0
219.13762	11.0
219.17430	65.8
219.19608	1.2
219.21434	5.9
220.10335	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01860	1.3
55.05503	2.3
57.03439	1.5
61.24028	1.3
67.05492	3.4
67.63065	1.1
70.97077	1.7
70.97405	1.8
79.05491	2.9
81.07050	3.8
83.04990	1.3
91.05478	15.7
91.47630	1.3
93.07037	3.2
95.04967	2.2
101.31615	1.3
103.05479	5.6
105.07017	5.6
107.08572	2.5
109.02846	2.2
110.71899	1.2
115.05454	11.9
115.42130	1.2
116.06226	3.9
117.07017	6.0
119.08566	5.2
121.06515	2.1
121.10142	2.9
123.04474	1.7
123.08054	1.7
128.06224	10.5
129.07019	37.4
130.07790	3.7
131.04959	9.6
131.08577	44.1
132.05708	1.5
133.10129	4.1
135.08038	2.2
135.11691	1.2
137.05984	3.9
141.07002	38.9
143.04918	1.6
143.08542	3.0
144.05722	8.6
145.06491	10.0
145.10147	5.6
146.07285	5.6
147.04486	1.8
147.08037	2.3
147.11690	1.3
148.05193	1.3
149.05984	2.0
151.03923	11.8
153.06926	1.4
155.06053	1.4
156.05690	1.5
157.06491	22.0
158.07280	24.0
159.04427	3.7
159.08069	27.7
159.11667	4.1
160.05243	6.4
161.05995	2.5
161.09584	5.0
161.13213	1.7
163.07510	2.9
169.06473	13.2
169.07649	2.0
170.07309	7.8
172.05182	1.5
173.06004	5.9
173.09616	3.2
173.13298	2.8
173.82082	1.3
174.06776	80.3
175.07558	30.2
177.05515	1.5
177.09038	1.9
186.06761	17.9
187.07542	2.3
188.08331	6.4
189.09122	100.0
190.09497	2.8
191.07042	2.9
191.10614	7.6
201.09117	44.5
203.14397	7.5
219.06606	3.3
219.10172	97.3
219.13756	5.1
219.17418	27.4
220.10490	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0654
Annotation	Ancistronaphthoic acid B
Peak:m/z	Relative Intensity
53.03907	0.6
55.01841	1.4
55.05468	2.0
67.05505	2.8
68.99746	2.4
69.03391	0.9
69.07030	1.2
69.79190	2.6
70.06560	1.0
71.04961	0.9
79.05491	3.9
81.07069	4.9
83.04977	0.6
88.07577	1.1
91.05480	9.7
93.07055	4.6
93.82614	0.6
95.04944	1.4
95.08597	2.7
102.04674	0.7
103.05479	4.0
104.06206	0.7
105.07039	8.6
107.04942	1.5
107.08579	3.9
109.10122	1.7
115.05468	15.0
115.13954	0.6
116.06221	1.4
117.06268	0.9
117.07027	17.6
119.04900	1.2
119.08579	3.8
121.06487	1.8
121.10143	4.8
123.04359	0.6
125.09618	1.1
127.05413	2.2
128.06145	1.8
129.06993	2.3
130.04173	0.6
130.07814	0.6
131.04942	5.0
131.08554	5.1
132.05635	1.4
133.06496	1.6
133.10141	7.0
135.04398	1.1
135.08014	1.3
135.11708	1.4
141.06978	1.7
143.08543	1.3
144.05650	1.2
145.06493	57.4
145.10155	4.2
146.06851	0.9
147.04395	1.1
147.08020	1.8
147.11717	1.3
148.05177	0.6
149.05899	0.7
149.09595	1.0
151.03851	1.6
155.04886	4.8
155.06049	5.2
157.06436	1.1
158.07253	1.1
159.04378	2.1
159.08012	1.7
159.11703	7.5
160.05165	1.8
161.05939	1.1
161.09590	1.4
161.13264	2.9
163.03897	3.9
163.07532	1.0
163.11171	1.1
163.14725	0.6
173.05994	63.9
173.13257	2.7
174.06740	6.0
175.07530	10.7
175.14894	1.0
176.04672	2.8
177.05437	1.4
183.04430	4.1
187.07568	0.9
187.11145	0.7
189.09073	2.1
191.03395	3.7
191.07054	7.0
191.14366	0.7
201.05482	100.0
201.09247	2.3
201.12663	1.4
201.16414	1.8
202.05847	1.7
203.14317	9.0
218.21173	3.1
219.02977	3.6
219.06554	79.7
219.10011	28.6
219.13501	4.2
219.17442	31.8
219.21275	3.6
220.06979	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0653
Annotation	Ancistronaphthoic acid B
Peak:m/z	Relative Intensity
55.01877	0.9
55.05507	1.1
60.26555	0.3
64.83541	0.3
67.05516	0.5
68.26508	0.4
68.99795	3.6
69.07098	0.3
77.03914	0.5
79.05507	1.5
81.03402	0.4
81.07062	1.1
83.08633	0.3
84.18439	0.4
89.03951	0.4
91.05484	5.7
93.07053	1.1
95.04918	0.4
95.08605	0.7
100.11227	0.7
100.44866	0.4
103.05494	3.1
105.07041	3.0
107.04964	0.9
107.08594	0.7
109.02905	0.5
115.05457	12.2
116.06278	0.6
117.07027	16.3
117.07862	0.9
119.04951	0.9
119.08582	1.0
121.06566	0.5
121.10168	0.9
123.04487	0.4
127.05447	2.0
128.06241	0.7
129.07013	0.8
131.04935	3.9
131.08589	1.2
133.06509	1.2
133.10158	1.0
135.04457	0.6
135.08040	0.6
135.11684	0.6
141.11502	0.6
144.05702	1.1
145.06493	54.6
145.10152	1.1
146.06862	0.7
147.04437	1.0
147.11594	0.5
151.03908	0.9
153.01889	0.8
155.04922	5.7
155.06076	6.7
159.04439	1.4
159.11697	0.7
161.09669	0.5
161.13181	0.6
163.03943	2.3
163.07513	0.5
164.08319	0.5
173.05992	67.8
173.13318	0.6
174.06497	1.5
175.07509	0.9
176.04703	2.0
177.05484	1.3
177.09125	0.7
182.15430	0.7
183.04437	3.9
184.05197	0.5
189.09108	0.8
191.03452	2.5
191.07025	5.6
201.05478	100.0
201.16298	0.6
202.05794	1.9
203.14319	2.6
211.89745	0.4
219.02986	2.3
219.06537	64.8
219.10086	1.6
219.13773	1.1
219.17445	8.5
220.06889	1.5
220.09724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0653
Annotation	Ancistronaphthoic acid B
Peak:m/z	Relative Intensity
53.03949	0.6
53.41553	0.4
53.49377	0.5
53.99319	0.5
55.01868	0.9
55.05504	2.3
57.07075	1.1
58.45012	0.5
65.03950	0.7
67.05509	2.7
68.99796	3.7
69.03421	0.9
69.07063	1.6
70.06571	1.3
71.06931	0.5
71.17263	1.0
76.88922	0.5
79.05497	3.5
81.03406	0.8
81.07058	4.0
83.04991	0.5
83.08639	1.2
88.07635	1.3
91.05491	10.7
93.07053	4.5
95.04954	1.5
95.08611	3.0
97.02918	0.6
102.04679	0.9
103.05472	4.1
104.17179	0.4
105.03364	0.7
105.07045	6.8
106.08641	0.8
107.04977	1.2
107.08576	3.6
109.06509	1.3
109.10134	1.6
115.05461	16.0
116.06245	1.4
117.06230	1.0
117.07029	19.9
119.04980	1.3
119.08585	4.3
121.06516	1.4
121.10165	3.4
123.08044	1.1
125.02334	0.7
127.05392	2.7
128.06259	2.7
129.07010	7.2
130.07806	1.0
131.04939	5.8
131.08568	8.8
133.06529	1.0
133.10146	4.9
135.04446	1.0
135.08060	1.5
135.11693	1.6
137.06006	0.7
141.06996	4.8
143.04861	0.7
143.08542	1.2
144.05704	1.5
145.06496	58.8
145.10135	4.8
146.07050	0.8
147.04411	2.0
147.08093	0.5
147.11729	1.3
148.05174	0.5
149.05943	0.8
149.09607	1.3
149.13339	0.6
151.03938	1.3
155.04903	4.5
155.06055	6.9
157.06499	2.9
157.07597	0.7
157.10091	1.0
158.07278	2.6
159.04408	2.4
159.08070	4.1
159.11693	4.4
160.05228	0.5
161.09634	1.4
161.13264	2.7
163.03975	2.8
163.07535	2.0
163.11203	1.2
169.06462	2.4
170.07265	0.7
173.05994	72.4
173.13286	1.8
174.06786	11.2
175.07498	4.2
175.08780	0.5
175.14853	0.7
176.04683	3.2
177.05498	2.1
177.09184	0.7
183.04439	3.5
186.06812	2.8
187.07466	0.9
188.08331	0.7
189.09135	11.6
191.03395	2.7
191.07033	5.2
191.10628	1.1
201.05482	100.0
201.09082	6.6
201.12666	1.1
201.16400	1.7
202.05795	1.8
203.14339	8.4
218.21161	2.9
219.02977	3.3
219.06546	67.5
219.09959	16.8
219.13701	3.8
219.17445	29.8
219.21419	7.0
220.06815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1548
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
55.05500	3.5
56.04778	0.7
56.05019	4.2
60.21117	0.8
64.36332	0.7
65.13919	0.7
68.70284	0.7
69.07034	0.7
70.33019	0.7
70.95274	1.7
70.95626	0.9
71.08636	33.7
72.15750	0.6
83.04994	5.9
83.06108	2.4
84.04510	100.0
85.02901	5.9
87.04452	1.0
88.11275	94.4
101.05994	2.3
102.05542	6.0
108.08054	0.8
111.04450	6.6
121.54924	0.7
122.25662	0.9
130.05009	46.4
131.95638	0.8
144.08078	1.4
155.07051	9.2
171.14934	20.1
173.08115	4.3
187.43712	0.7
200.12834	71.0
215.09303	0.8
217.10721	3.1
217.15475	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	219.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38066	0.9
54.56124	1.2
55.01882	5.4
61.02933	25.4
69.90864	5.1
71.00969	2.1
71.01359	41.8
72.08134	0.9
74.39565	0.9
75.04485	54.0
84.21156	1.0
84.28841	0.8
84.99274	1.7
87.04474	22.0
89.02393	9.1
90.36722	0.9
93.31187	1.0
101.06041	1.3
103.03948	70.8
121.10107	1.1
131.03418	12.7
159.02896	100.0
160.03262	1.2
187.02345	9.4
203.14287	3.0
219.04930	7.3
219.06709	1.0
219.17462	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	217.1296
Annotation	N-Acetyl-L-arginine
Peak:m/z	Relative Intensity
55.05497	1.8
56.05043	1.6
58.60309	1.0
60.04530	7.1
60.05423	1.0
60.05658	12.6
67.60235	1.2
69.38371	6.2
69.38779	2.7
70.06597	88.1
71.04996	13.0
71.06914	1.0
72.04501	2.5
72.08165	15.3
74.02454	7.4
74.06068	1.2
84.04507	1.4
84.08159	11.4
85.06528	1.9
85.43151	1.0
86.06042	2.5
88.03976	1.2
88.07651	6.1
95.06089	3.1
97.07658	2.6
98.06053	3.4
98.21487	1.5
99.04415	1.5
100.07625	1.1
101.00898	1.8
111.09214	2.3
112.07610	15.2
112.08739	12.7
113.07148	11.0
113.10767	1.3
114.05580	1.8
114.09161	12.0
114.10291	3.2
115.08700	27.3
116.07097	46.1
119.01940	2.3
126.09195	1.5
127.09504	1.2
130.05049	2.2
130.08650	3.3
130.09764	5.1
131.01848	1.2
133.03384	1.2
139.08684	1.5
140.07065	2.2
140.08167	1.2
145.03487	2.2
154.08604	5.2
154.09734	1.3
157.09740	21.0
157.10831	2.2
158.08136	66.2
158.09308	13.4
172.13383	2.6
175.10672	1.9
175.11958	16.9
183.07700	1.2
188.75801	1.2
199.11798	3.8
200.10371	20.8
200.12216	1.8
200.12877	0.9
217.06883	17.0
217.12991	100.0
218.13930	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	217.1225
Annotation	Colpuchol
Peak:m/z	Relative Intensity
55.01870	3.5
55.05513	40.8
57.07052	3.3
59.04985	3.5
67.05513	2.5
69.03413	2.6
69.07071	23.3
70.80852	2.5
70.81197	1.6
71.08606	1.4
72.08157	1.5
79.05481	5.4
81.07066	3.6
83.04494	2.7
83.04982	51.4
83.08604	2.0
84.04507	1.7
85.06523	4.6
86.09692	6.0
87.04458	5.7
88.11235	1.5
89.02375	5.7
89.06038	8.6
91.05470	7.0
93.07073	2.0
95.04974	1.2
95.08598	1.4
99.04461	3.6
101.06021	16.8
102.04682	2.9
103.05482	7.8
105.07027	9.8
107.05019	1.5
107.08573	3.7
111.04447	74.4
111.08060	2.0
113.05995	6.2
115.05457	14.2
115.61031	1.3
116.06220	3.0
117.07011	3.8
119.08569	3.1
121.06494	1.8
123.04428	18.8
127.07589	8.8
127.09456	1.3
128.06221	12.0
129.05539	9.8
129.07011	41.5
130.04137	5.0
131.04941	15.6
131.08556	1.4
133.06447	3.8
137.05945	5.5
141.06998	2.7
142.07780	3.3
143.04936	12.5
143.08554	10.3
144.05661	4.6
145.06465	2.8
145.09981	1.4
146.11766	4.1
147.04414	16.9
147.08028	3.9
148.05223	11.4
149.05984	34.8
155.07040	87.4
156.07368	1.6
156.09325	3.1
157.06490	26.8
157.10112	1.6
158.07289	1.8
160.05193	10.5
161.05989	69.5
162.06754	8.7
163.07532	2.8
169.06441	3.4
170.07260	4.4
171.08069	13.0
171.11719	11.2
173.06017	4.7
173.08109	51.0
174.06708	2.7
175.07552	100.0
176.08044	2.9
184.08862	2.1
187.07529	1.5
188.08334	7.4
189.09074	8.2
199.09633	4.6
199.11217	14.3
202.02618	3.1
217.05029	7.3
217.10588	28.0
217.12262	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0684
Annotation	Decarboxytiaprofenic acid
Peak:m/z	Relative Intensity
67.53680	2.7
70.06572	3.8
71.50095	4.1
75.31543	2.5
84.08152	14.7
100.10661	2.7
100.53773	2.7
104.64323	2.9
124.26418	2.9
130.08662	6.5
141.06540	3.1
146.42757	3.2
217.06859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74618	0.6
55.05515	0.8
56.05028	1.2
56.96350	0.8
56.96569	8.7
57.03440	4.8
58.06359	0.6
58.06605	8.7
61.02918	2.3
68.98287	0.6
69.03425	3.2
70.00861	0.7
70.06596	30.6
70.98083	0.8
71.04977	2.9
71.06931	3.7
71.07245	0.7
71.49902	1.0
71.95223	0.7
72.08162	26.2
72.96057	0.7
73.02900	2.0
73.06521	1.3
79.05494	1.1
81.03423	4.9
82.03804	0.7
82.06590	6.4
82.99794	0.7
83.05013	0.8
84.04523	1.0
84.08147	16.9
84.17222	0.7
84.96021	1.2
85.02901	4.5
85.08482	6.5
85.17628	0.6
86.03682	3.1
86.06077	5.0
87.04437	1.7
95.06125	0.9
96.04471	1.0
97.02862	1.3
97.96781	0.9
98.06028	1.1
98.09695	1.8
98.97594	13.3
99.04431	1.8
99.97910	3.2
100.05199	2.5
100.07608	0.7
101.00887	6.6
102.00986	0.9
103.02430	0.7
109.02908	2.0
110.06020	0.7
113.00832	2.0
115.00606	0.7
115.02402	1.9
115.97788	0.7
116.07102	6.3
116.10741	1.8
116.98618	5.6
117.98979	1.3
118.01171	1.1
118.03502	1.5
119.01913	9.2
120.02054	0.9
124.07482	0.7
126.09169	3.7
128.07056	1.2
128.98621	1.4
130.08621	1.3
131.00148	0.7
131.01935	3.1
131.96161	1.6
132.95857	0.8
133.03445	2.1
134.99690	1.1
137.02904	1.4
138.09113	1.3
140.98611	0.7
142.03601	0.8
142.08658	0.9
143.01877	1.6
143.02911	0.8
145.03423	1.5
147.01393	1.2
152.07082	1.2
153.01862	3.2
155.01952	1.5
155.11758	0.9
156.10211	1.8
157.03413	1.5
160.04726	0.8
161.02940	3.1
169.03410	1.2
169.06194	1.2
169.13374	50.7
170.06601	0.8
172.04715	1.3
173.01210	1.5
173.02988	3.0
173.04472	0.9
175.04451	1.7
177.00642	0.7
185.02953	1.9
187.00848	0.9
187.04660	2.4
187.10831	1.5
188.06052	1.7
190.03920	0.7
190.98590	1.0
191.02290	1.6
191.03984	1.1
197.06517	1.1
197.09270	1.1
198.06097	2.0
198.11163	3.5
206.07022	1.5
208.04901	0.7
215.00250	1.0
215.04036	4.7
215.08067	1.8
215.10509	3.4
215.13913	100.0
216.07141	3.0
216.12334	5.4
216.14145	1.2
227.22722	0.7
233.05185	3.4
233.08902	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61003	0.2
55.01859	0.2
55.05522	0.9
56.05042	0.8
56.96569	5.6
57.03443	0.4
65.03944	0.3
66.14975	0.2
67.05499	0.6
68.05037	0.5
68.99804	0.3
69.01293	0.3
69.03435	0.6
69.07077	0.6
69.42347	2.2
70.06596	8.6
70.95866	0.3
71.05005	0.5
71.06934	0.4
72.08164	1.7
72.93782	0.6
73.02941	0.4
79.05489	0.4
81.03423	0.4
81.97644	0.3
82.06589	2.0
83.05001	0.3
83.07397	0.4
84.04519	0.7
84.08150	6.6
84.96021	0.6
85.02897	0.6
85.06532	0.3
86.09713	0.8
90.94841	0.8
94.06627	0.3
95.04981	0.6
95.06112	0.5
96.04500	0.4
96.08146	1.6
97.02876	0.6
98.06066	0.6
98.09695	0.3
98.20856	0.6
98.97591	8.8
99.04432	0.3
100.07641	0.2
100.99163	0.3
105.07064	0.3
106.06570	0.3
108.04520	0.3
108.08136	0.4
109.02908	0.3
110.06067	0.5
110.07158	0.5
110.97538	0.3
111.04439	0.3
112.07587	0.4
113.06027	0.3
114.09176	47.7
115.09544	0.3
116.07118	1.9
116.98621	4.2
118.42854	0.3
118.53757	0.2
119.01885	0.5
121.02916	0.3
121.06499	0.8
122.06009	0.4
122.09720	0.3
123.04445	0.5
124.11225	0.5
126.05582	0.3
126.09203	0.3
127.03940	0.4
128.01349	0.3
128.07077	0.3
128.98630	0.9
130.04929	0.3
131.00162	0.3
132.95854	2.9
134.99673	1.6
136.07590	1.0
139.03934	1.3
140.07091	0.5
141.00050	0.4
142.08643	100.0
143.08992	0.8
144.98074	0.4
146.99675	0.4
149.96149	0.4
150.09219	0.3
150.96892	3.7
151.03928	1.0
152.07047	0.3
153.01831	1.0
154.01840	0.8
154.04950	0.3
154.08650	0.8
154.94124	0.3
155.08986	0.3
156.10219	0.3
161.01309	0.3
162.99136	0.4
168.06561	0.6
168.10187	0.6
168.13855	1.1
170.11775	2.6
172.02872	0.8
173.01234	0.3
182.02332	0.7
186.04315	0.7
190.03903	0.9
191.02817	0.9
191.97189	1.3
194.99736	0.3
196.09726	1.0
208.04973	0.6
208.99713	0.3
209.98312	0.6
213.00742	0.9
214.03740	2.9
214.08798	0.7
214.10745	5.4
214.14281	4.2
214.21600	0.3
215.07036	0.3
231.01877	0.4
232.04950	2.8
233.05511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1123
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03937	2.0
55.01854	1.9
55.05502	1.8
56.96561	1.4
67.05494	3.3
69.03410	2.1
70.06599	13.0
71.50524	1.2
72.08156	1.5
79.05504	8.4
81.03391	1.5
81.07043	4.9
83.04967	2.3
83.06094	1.3
85.02882	3.6
86.09709	1.2
88.07610	2.2
91.05490	38.1
93.07057	23.8
95.04940	3.7
95.08586	4.5
96.04474	1.7
99.04446	1.9
103.05440	2.8
105.06322	1.4
105.07040	33.6
107.04929	3.8
107.08604	53.0
109.06526	3.0
109.10148	2.4
111.04384	1.3
111.08102	1.8
115.05446	1.6
116.06223	2.6
116.07085	2.6
117.06971	3.9
119.04925	2.3
119.08591	100.0
121.06477	3.5
121.09344	2.3
121.10154	24.6
123.08092	8.1
125.06001	1.7
125.09613	2.5
128.00728	2.8
129.06987	4.2
130.96310	1.6
131.08585	31.0
133.06491	3.7
133.10118	5.6
135.08044	8.0
137.09583	4.2
147.08063	29.3
148.97289	2.3
149.09630	32.9
151.03758	1.3
151.11159	2.2
153.01796	3.9
153.09071	2.5
154.08589	1.5
157.06438	1.8
159.08083	6.1
165.07808	2.1
165.09129	30.5
167.07050	7.6
167.10698	11.8
167.11957	1.9
177.09116	25.4
177.12547	1.3
181.04907	1.5
185.05797	1.5
185.07220	1.6
186.05518	1.5
195.06499	2.8
195.10199	30.5
213.05469	4.0
213.07076	3.8
213.09406	3.3
213.11186	57.4
214.10992	1.7
224.94730	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1236
Annotation	Pro-Pro
Peak:m/z	Relative Intensity
55.05505	0.3
56.05040	1.8
56.96571	3.2
57.03438	0.5
57.05380	0.1
61.02936	0.4
67.05517	0.2
68.05035	0.4
69.03436	0.4
69.64779	0.8
70.06596	100.0
71.05004	0.2
71.06930	0.5
71.95255	0.2
72.08148	0.2
72.96027	0.2
73.02911	0.3
74.00652	0.2
76.78173	0.1
81.03413	0.3
81.04558	0.1
82.06594	0.6
83.06109	0.4
84.04510	0.2
84.08150	49.6
84.96043	0.8
85.02913	0.6
85.06528	0.2
85.07893	0.5
85.08476	7.3
86.03674	0.1
87.04478	0.3
91.05463	0.2
96.08155	0.1
97.02885	0.3
98.06074	0.6
98.09692	0.2
98.21516	0.2
98.97585	1.1
99.04463	0.2
101.00895	0.4
102.00999	0.2
102.02367	0.2
109.02899	0.2
110.97558	0.2
111.05573	2.1
111.09232	0.2
112.07614	0.4
113.00905	0.1
113.02471	0.1
116.07101	14.7
116.98637	0.5
119.01913	0.5
125.07125	0.2
126.09209	0.2
127.03952	0.2
128.02345	0.2
128.98685	0.2
130.08647	15.0
131.09000	0.1
132.08058	0.2
133.03474	0.2
136.07544	0.2
137.02885	0.2
137.06030	0.3
143.00200	0.2
144.06598	0.2
145.03467	0.2
149.05994	0.7
149.10817	0.2
150.02307	0.9
152.07024	0.2
153.01828	0.4
153.10260	0.2
158.06506	1.4
161.01227	0.2
161.02823	0.1
167.08165	0.5
167.11797	0.9
168.01918	0.2
168.03340	3.5
170.04967	0.6
170.06555	0.1
171.06767	0.2
172.02904	0.2
175.04472	0.1
184.02849	0.5
185.02953	0.2
185.08406	1.5
186.04405	3.2
186.08000	0.2
188.05923	0.4
195.06746	0.2
195.08392	0.5
196.06175	0.3
202.03906	0.6
203.09399	0.3
204.02867	0.1
204.03448	0.2
204.05469	1.8
213.07863	4.0
213.12344	17.0
214.07512	0.3
214.10722	0.2
214.12608	0.2
220.04936	0.3
222.06537	1.2
231.08934	5.2
232.04944	0.2
232.08502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1123
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03939	3.4
55.01865	2.6
55.05501	2.9
55.91805	0.8
56.96577	1.1
57.03428	1.9
59.05000	1.2
63.36736	0.9
64.20119	0.9
65.03940	2.0
65.63348	1.0
67.05497	4.2
68.99773	1.6
69.03438	4.4
69.07069	1.6
70.06599	11.7
71.50639	0.9
71.51041	1.2
71.96493	1.1
73.02911	3.3
79.05495	16.0
81.03405	1.0
81.07069	6.8
82.86051	1.0
83.04966	3.0
85.02890	2.1
88.07637	1.9
91.05483	30.3
91.45068	0.8
93.06477	1.6
93.07044	23.2
95.04965	5.4
95.08616	2.9
96.04492	1.7
97.02881	3.7
97.06503	2.0
99.04431	1.2
103.05478	2.6
105.06315	1.2
105.07037	35.8
107.04960	21.0
107.08601	67.7
108.08132	1.3
108.08894	1.5
109.06503	4.1
109.10166	1.7
111.04431	3.6
115.05515	1.4
116.06230	3.3
116.07022	1.5
117.07030	4.1
119.04967	1.5
119.08587	100.0
121.06503	4.2
121.10146	30.4
122.06010	2.5
122.97731	1.1
123.04453	7.2
123.08077	5.4
123.11739	1.1
125.02348	3.2
125.05992	3.7
125.09648	1.5
127.18526	0.9
128.00764	4.4
129.07005	3.8
130.96313	1.2
131.08571	38.1
133.06483	3.4
133.10149	4.7
135.04427	7.1
135.08064	7.4
136.07584	1.2
137.05893	1.2
137.09589	1.6
139.03873	6.3
139.07527	1.5
140.04698	26.4
140.07054	3.1
141.05472	2.6
145.03952	1.4
147.08058	41.6
148.97386	1.9
149.09628	38.6
151.03912	5.5
151.07613	1.3
151.11194	3.0
153.01842	6.2
153.05470	10.4
154.08598	3.7
155.07045	14.2
159.08080	9.8
163.03935	16.5
165.09119	33.8
167.03400	7.9
167.07089	9.9
167.08502	1.8
167.10690	12.5
169.07658	1.2
173.08012	1.1
177.09113	33.0
181.04962	16.7
185.09854	1.2
195.06491	4.0
195.08371	2.0
195.10179	32.9
196.09705	1.6
198.06709	1.1
213.05455	2.9
213.07344	7.5
213.09573	1.2
213.11168	27.9
213.15979	1.1
214.10822	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	213.0759
Annotation	Danielone
Peak:m/z	Relative Intensity
53.03942	4.2
55.01868	5.0
55.05498	4.0
56.96553	1.3
57.03411	1.1
62.89043	0.9
65.03928	3.1
67.05491	4.0
68.99777	2.8
69.03433	6.1
69.07059	3.0
70.02937	1.5
70.06599	17.1
71.04972	1.4
71.34634	1.5
72.08158	2.7
72.93774	1.3
73.02895	1.4
77.03896	2.0
78.04719	1.2
79.05498	14.9
81.03415	1.7
81.07069	4.9
82.06565	1.4
83.04992	2.7
83.08596	1.5
84.05618	1.1
84.08130	2.4
85.02903	2.1
86.09729	2.0
88.07608	2.8
90.94790	1.1
91.04981	1.5
91.05492	16.5
93.03432	1.6
93.06499	1.0
93.07052	14.1
94.06570	2.0
95.04449	1.4
95.04976	15.1
95.08602	3.3
96.04493	1.2
97.02900	10.0
97.06515	3.2
98.05985	1.0
98.97549	1.1
99.04435	1.5
105.03396	1.1
105.04519	2.3
105.06392	1.6
105.07038	19.0
107.04962	67.0
107.07865	1.8
107.08597	24.1
108.08123	2.2
109.02903	1.5
109.06503	2.8
109.10118	1.7
110.03681	1.2
110.06023	2.0
110.07164	1.3
111.04468	6.2
111.05556	1.0
112.07516	1.0
115.05445	1.3
116.07066	2.8
117.07010	1.3
119.04972	1.9
119.08590	41.4
121.02885	1.1
121.06510	3.7
121.10155	11.4
122.06021	9.0
123.04435	24.9
123.08102	4.3
125.02371	8.0
125.05970	4.5
125.09595	2.3
126.09162	1.3
127.03941	1.7
128.00787	5.9
129.06992	3.6
130.96309	1.7
131.08577	15.4
133.06511	1.1
133.10123	2.1
135.03412	1.4
135.04424	23.5
135.08051	4.1
136.07539	6.0
137.05963	2.7
137.09633	2.2
139.03923	16.3
140.04694	100.0
140.07022	12.0
141.05467	2.5
143.03372	1.1
144.01190	1.5
145.03978	6.1
147.08051	10.9
148.97365	2.8
149.05984	1.0
149.09636	18.5
150.03111	1.5
151.03920	18.1
151.11180	2.0
152.04745	2.2
153.01816	5.3
153.05496	12.2
153.09155	1.3
154.08658	8.6
155.07039	57.6
157.04985	2.2
157.06395	1.6
159.08020	3.5
161.03375	1.2
162.63515	1.0
163.03925	51.0
165.05486	1.9
165.09125	13.7
167.03441	8.0
167.07068	23.9
167.08521	1.3
167.10690	5.1
170.11771	1.6
173.08122	4.4
177.09146	12.7
181.04967	49.5
182.08118	2.4
185.05907	1.8
185.09839	1.5
186.05623	1.1
189.97601	1.3
195.06590	9.6
195.10161	13.2
196.09575	1.7
213.00778	1.5
213.05507	3.2
213.07433	13.6
213.09354	1.3
213.11028	18.2
213.13017	1.4
213.16068	1.2
214.10696	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	213.0759
Annotation	Methyl syringate
Peak:m/z	Relative Intensity
53.03939	1.4
55.01859	2.4
55.05493	2.4
56.05032	1.2
56.96558	0.9
58.70852	0.7
65.03928	1.5
67.01832	0.9
67.05497	4.5
68.21664	0.7
68.99474	0.9
68.99790	6.9
69.03426	10.4
69.07064	1.2
70.06595	9.7
71.04992	1.0
71.49713	0.8
72.08130	0.9
73.02891	1.9
74.06071	1.8
79.05492	6.2
81.03400	1.9
81.07054	3.1
82.06594	0.7
83.04976	3.7
83.08589	0.9
84.05627	1.2
84.08141	1.1
85.02889	1.3
86.09709	0.9
87.04478	1.0
88.07640	1.2
90.94823	0.7
91.05492	5.3
93.03411	0.9
93.07052	4.3
95.04970	6.6
95.08598	0.9
97.02899	17.7
97.06522	2.0
98.97580	1.1
99.04449	1.1
105.03394	1.0
105.07042	5.0
107.04962	9.2
107.08586	8.7
109.02831	1.5
109.06505	1.2
109.10120	0.7
111.00787	0.8
111.04449	11.0
111.08080	0.8
116.07066	1.3
119.04896	0.9
119.08581	9.8
120.05781	0.8
121.02850	4.1
121.06530	2.1
121.10126	4.2
122.09637	2.2
123.04427	18.9
123.08057	1.5
123.45497	0.7
124.07581	0.8
125.02388	0.9
125.05983	8.3
126.09055	0.8
127.03928	0.8
128.00780	8.4
129.06981	0.9
130.96352	3.3
131.08560	4.1
133.02907	0.8
135.04414	7.1
135.08063	1.2
137.06013	1.1
137.09575	0.7
139.03908	24.6
139.07593	0.6
140.04659	2.4
140.10689	1.3
141.05489	0.9
142.07767	0.9
143.08572	0.7
147.08049	3.9
148.97351	3.6
149.05856	1.0
149.09595	4.4
151.03911	31.3
151.05132	1.5
151.07530	0.7
151.43060	0.7
153.01831	6.6
153.05461	23.1
154.08609	2.3
155.07053	2.4
157.05072	1.0
157.06447	1.5
159.08044	0.9
163.03917	9.6
165.05493	0.8
165.09151	3.4
167.03386	4.3
167.07117	4.0
167.08366	0.9
167.10614	1.5
170.11809	1.0
177.09102	2.8
181.04959	100.0
182.05325	1.6
189.97681	1.4
195.06535	4.1
195.08255	1.2
195.10126	3.8
196.09781	0.7
208.14374	0.8
213.05484	1.4
213.07317	11.1
213.09175	1.8
213.11069	1.3
213.12772	1.4
213.16115	2.0
214.10782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27498	0.3
53.03942	0.9
55.01865	0.9
55.05503	0.7
56.05038	0.7
56.96566	8.6
57.03435	1.5
58.06589	0.5
61.02933	0.5
65.03939	0.3
67.05501	0.8
68.05022	0.5
69.03428	2.2
69.07060	1.3
70.06600	2.4
71.01347	0.4
71.05000	0.8
71.50327	0.4
71.95263	0.6
72.08155	0.7
72.67894	0.3
73.02921	2.9
73.47652	0.3
74.06087	3.5
77.03887	0.3
79.01854	1.1
79.05486	0.8
80.05009	0.9
81.03423	2.2
81.05782	0.3
81.07064	0.3
82.02953	0.4
82.06581	0.8
83.04988	0.9
84.04521	0.6
84.08148	4.6
84.96025	1.1
85.02905	1.7
85.06541	0.3
86.06071	0.6
86.09667	0.4
88.07617	0.3
91.05490	5.3
93.07050	8.9
94.06581	0.5
95.04974	1.2
95.07361	1.2
95.08621	0.3
96.08136	0.6
97.02882	1.9
97.06528	0.5
98.02446	0.4
98.06049	0.8
98.97591	6.3
99.04459	0.8
101.00784	0.6
103.05465	5.4
105.04525	0.4
105.07015	0.4
106.06576	0.4
107.01304	0.4
107.04974	0.8
108.01513	0.3
109.02894	1.8
109.06551	0.3
110.01272	1.1
110.02401	1.2
110.06054	0.8
110.07142	0.3
110.09690	0.3
110.97555	2.8
111.04462	0.8
112.04001	0.3
112.07617	5.1
112.99125	0.7
114.01540	0.3
116.98636	2.7
117.07008	0.3
119.01852	1.6
119.04926	0.5
120.08110	0.8
121.06512	100.0
122.06852	1.3
124.03951	0.3
124.07595	1.1
124.99155	1.4
125.02389	0.7
125.06066	0.3
126.05618	0.3
126.09210	0.5
127.03928	1.2
128.02374	0.3
128.98618	2.9
129.02106	0.3
131.00189	0.8
131.01828	0.5
131.96129	0.3
133.06525	0.5
134.06017	0.6
134.99710	0.8
135.04422	0.4
136.03961	0.5
136.07596	1.8
137.06013	1.2
138.09145	1.1
139.03897	1.1
140.04671	0.6
140.05655	0.4
140.07072	2.0
142.08646	0.5
143.00177	4.0
143.03404	0.8
145.06508	0.5
146.99644	1.3
148.07542	1.6
149.05966	0.6
150.09190	0.7
151.03918	0.5
152.02333	0.7
152.07109	1.5
153.01842	11.1
153.02940	0.9
153.05438	0.7
153.07430	0.7
154.08583	1.6
155.01752	0.4
156.02585	0.8
158.06662	3.9
158.99672	1.2
161.01239	3.5
161.02769	0.5
162.09140	1.6
164.02325	2.8
164.07109	0.5
165.05453	0.5
166.05026	0.7
166.08658	6.5
170.06648	0.8
170.99739	1.4
173.02846	4.7
174.99219	0.3
176.07610	1.7
177.00821	0.9
179.02379	0.4
180.10217	0.9
181.98964	0.4
182.03166	0.4
182.04544	1.3
182.99754	0.4
184.09702	12.8
185.01239	1.2
187.92784	1.2
188.07700	2.2
188.92516	0.6
188.97070	0.5
188.99095	0.5
189.00734	2.4
189.02284	0.4
189.04218	0.6
191.03915	0.4
194.04495	0.7
194.08154	2.6
194.11775	15.8
195.06424	0.5
201.00790	0.5
203.02252	0.8
205.93750	0.4
206.98470	0.3
207.01805	1.3
211.94040	0.5
212.07628	4.9
212.09251	9.0
212.12671	3.1
214.07077	2.9
219.01855	1.0
230.08755	4.0
231.01865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
55.05512	0.6
55.22840	0.2
56.05038	2.4
56.96565	0.7
57.03438	1.9
61.02933	2.9
67.05508	0.3
69.03433	1.1
70.06599	3.1
70.63046	0.3
70.63388	0.4
70.99868	0.2
71.04985	0.8
71.95859	0.2
73.02930	1.2
80.05013	0.4
81.03416	1.0
82.06577	0.7
82.99869	0.3
83.06121	0.2
84.08147	100.0
84.96052	0.3
85.02911	1.1
85.08496	0.9
86.03690	0.4
95.15331	0.2
97.02910	0.3
98.97593	1.5
99.04446	0.6
101.00893	2.3
109.02942	0.3
109.07671	0.4
110.97547	0.7
111.09200	0.4
112.07616	6.1
113.00865	0.4
113.96371	0.2
115.02419	0.7
116.07108	0.4
116.98618	0.3
119.01923	1.5
120.08138	0.2
121.06519	2.1
123.87734	0.2
125.10841	0.3
127.03902	0.4
129.04018	0.3
131.01909	0.7
132.56949	0.2
133.03415	0.4
136.07591	1.2
137.01782	0.2
137.05936	0.3
139.02451	0.3
140.05574	1.1
142.07118	0.5
143.01845	0.5
145.03404	0.4
152.03207	0.4
152.05650	0.3
152.07050	0.4
153.10236	0.3
156.02611	0.4
156.05086	0.2
157.03447	0.6
158.06635	4.4
158.99632	0.5
161.02773	0.4
166.07132	0.8
166.08641	0.9
167.01865	0.3
170.06656	1.7
170.99620	0.4
173.02817	0.3
175.04510	0.3
176.07668	1.2
184.04599	0.6
184.08231	6.4
184.09717	0.8
185.02916	0.6
185.08206	0.2
188.07712	2.5
189.02394	0.4
194.06590	1.0
194.08154	1.3
194.11787	0.2
200.07657	0.4
202.09274	1.5
212.07658	24.6
212.09233	1.3
213.07755	0.7
213.12219	0.2
217.05513	0.5
221.04886	0.2
230.08759	22.8
231.08910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74844	0.3
55.05517	0.4
56.05042	2.9
56.96563	2.6
57.03444	0.6
61.02931	0.5
64.43896	0.4
67.42278	0.4
69.03432	0.8
70.06590	4.3
71.04986	0.4
71.20935	0.6
73.02943	0.6
81.03425	0.8
83.06114	1.8
84.08145	100.0
85.02917	1.4
96.05195	0.5
97.02910	1.0
98.97583	2.6
101.00885	1.5
102.02383	0.6
109.02879	0.4
111.09211	3.8
112.07616	1.7
115.47750	0.4
116.07079	0.6
116.98603	0.7
119.01934	0.8
125.10764	1.5
127.03872	0.6
128.98595	0.5
134.06082	0.5
136.07574	2.5
138.09138	0.5
143.00143	0.6
148.03819	0.5
148.07613	0.5
152.07039	1.0
153.01866	1.0
153.10252	2.2
158.06653	0.5
161.02921	0.6
166.07304	0.5
166.08598	1.9
170.06654	0.7
173.02963	0.4
184.04559	0.7
184.08153	7.0
184.09715	2.7
194.06638	0.9
194.08127	3.6
202.09192	0.8
212.07619	19.6
212.09248	2.3
212.13873	1.8
213.07875	0.5
213.12367	0.9
230.08749	22.3
231.08844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39037	1.6
53.03948	3.4
53.67448	1.8
55.05512	14.7
57.00073	1.9
57.03428	7.1
57.07078	3.3
59.82647	1.7
67.05512	14.8
69.03425	7.3
69.07056	5.7
69.59451	8.6
69.59866	4.2
71.05000	100.0
72.08126	4.9
79.05505	9.2
80.05033	1.9
81.03410	8.8
81.07066	31.2
83.04999	10.7
83.05402	2.0
83.08619	7.1
85.06546	2.7
87.08158	2.4
89.03745	2.1
91.05472	12.8
93.07040	9.8
95.04953	6.4
95.08618	14.9
97.06551	3.5
97.37817	1.8
98.20799	3.8
100.59449	2.2
105.07040	18.8
106.04144	2.4
107.08599	9.8
109.02879	2.7
109.06531	4.3
109.10154	15.0
111.08099	3.1
119.07855	2.7
119.08575	13.6
121.06454	2.6
121.10152	43.7
123.04369	4.0
123.08070	7.0
123.11723	32.8
125.09641	4.7
127.03923	3.5
127.11250	3.1
131.08595	4.5
133.10139	11.1
135.11676	2.6
137.06004	2.9
137.09644	4.4
147.11681	8.0
151.07539	2.8
151.11205	11.1
151.14903	2.5
155.08569	3.0
165.01848	2.3
165.05443	2.4
165.12723	7.8
167.07092	37.4
167.08472	4.5
167.10716	2.6
168.05518	2.4
169.10124	2.9
175.11270	2.1
175.14854	12.9
179.07098	4.8
193.08569	2.6
193.12215	3.2
193.15904	33.4
196.12340	2.3
211.02379	10.7
211.07739	3.0
211.14793	6.4
211.16829	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03947	5.3
53.22015	4.0
55.01871	4.8
55.05514	36.5
56.96572	3.1
57.03444	17.0
57.07087	11.3
59.04997	10.7
65.03934	7.1
67.05511	67.5
68.99787	7.8
69.03432	14.8
69.07072	51.1
69.96178	3.5
69.96497	19.1
71.05001	67.3
78.87864	3.7
79.05495	22.5
81.03444	4.7
81.07066	78.6
83.04993	9.3
83.08649	22.1
85.06546	86.7
88.44231	4.0
91.04979	3.4
91.05490	18.0
93.07053	70.3
95.04974	73.2
95.07993	4.2
95.08613	77.8
96.55313	3.5
97.06548	35.2
97.10187	5.3
99.04469	11.3
99.08108	33.7
105.07051	39.7
107.08606	65.8
107.57314	3.3
109.06531	35.5
109.10165	57.2
111.08114	11.9
113.09650	5.1
115.07574	16.9
117.07059	4.5
119.08586	40.8
121.06487	5.2
121.10171	30.2
123.04437	39.5
123.08086	25.5
123.11718	98.3
125.09630	27.6
127.03951	5.7
127.07562	39.2
133.10143	49.6
135.08116	4.3
135.11705	100.0
137.05989	9.8
137.09621	43.0
137.13205	6.6
139.03937	11.5
141.07063	4.1
141.12706	8.6
147.11722	17.6
147.44710	3.6
149.06003	5.0
149.13271	17.0
151.03902	6.4
151.07581	8.7
151.11218	7.2
153.07030	5.0
153.12770	19.9
155.03375	8.5
155.08556	6.0
155.10684	25.5
157.10278	4.1
164.30527	3.8
165.05507	6.5
165.09091	17.2
165.12776	11.7
167.07115	19.4
167.08388	4.2
167.14380	5.6
169.08636	5.4
169.10109	9.5
175.07552	6.1
175.11157	5.2
175.14856	56.7
179.03481	4.8
179.07121	7.9
183.11797	5.7
193.08620	62.1
193.10292	5.0
193.12279	7.2
193.15936	28.6
196.08873	3.8
196.12442	4.6
211.07751	7.0
211.09506	31.2
211.11269	8.3
211.13132	6.4
211.14905	9.4
211.16934	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05518	14.3
55.05952	1.6
57.03439	3.4
57.07065	5.1
57.70554	1.5
59.04977	3.2
64.61885	1.5
66.49863	1.5
67.05180	2.4
67.05510	31.5
69.03426	10.5
69.07080	17.5
70.02675	6.9
71.04990	5.6
72.16206	1.6
79.05495	10.9
81.07056	35.2
83.04996	14.0
83.08626	11.0
85.06542	3.1
88.44968	1.5
91.05486	9.8
92.09782	1.5
93.07040	14.7
95.04948	4.6
95.08617	40.4
97.06512	2.7
97.10176	1.7
98.21458	1.9
99.08096	4.1
103.73869	1.5
105.06507	1.2
105.07053	12.3
107.08605	32.1
109.06521	14.7
109.10164	100.0
111.08102	5.4
113.09643	2.2
119.08585	30.8
121.06531	2.0
121.10161	13.2
123.04421	4.9
123.08082	17.9
123.11728	10.6
125.09635	6.2
127.11131	1.8
133.06476	1.6
133.10136	23.8
133.22845	1.7
135.11696	73.2
137.09637	16.9
137.13275	1.7
139.11211	3.9
147.11719	3.3
149.13239	6.6
151.07513	6.4
151.11217	11.1
151.14806	12.0
153.12758	1.6
165.09180	2.1
165.16408	3.8
167.07047	7.3
175.14862	19.1
179.07076	14.5
183.15771	3.7
193.08655	1.7
193.12170	2.2
193.15901	18.9
211.14958	2.6
211.16933	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	211.133
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
51.40855	2.9
55.01883	16.5
55.05514	18.9
56.11836	3.0
56.96560	6.8
57.03427	5.0
62.03948	3.3
67.05504	48.5
69.07082	17.7
69.90881	2.9
71.05003	5.6
71.15669	3.7
71.40856	7.1
72.08184	4.0
72.24190	3.5
79.05495	38.0
81.03421	7.7
81.07064	100.0
82.07366	3.1
83.04972	10.7
83.08635	7.8
85.06545	5.1
91.05492	53.7
93.07050	31.4
95.04976	12.2
95.08608	23.4
97.06538	19.6
105.06414	4.5
105.07043	54.4
107.04931	3.4
107.08588	14.7
109.06512	13.3
109.10136	4.2
113.06039	4.3
119.08588	42.4
121.10176	28.4
123.04482	4.9
123.08040	8.2
123.11715	28.1
124.73280	2.9
129.07014	15.1
131.08562	8.9
133.06441	4.0
133.10147	47.5
137.06039	3.6
142.07797	4.6
147.11710	87.6
149.09569	5.3
151.07611	4.6
151.11240	4.4
153.00311	3.3
155.08649	3.2
157.10158	24.9
165.12758	22.5
167.07027	13.9
169.10068	4.5
175.11201	27.8
179.87296	3.1
184.09721	5.3
190.95869	3.0
193.04964	4.2
193.12234	14.6
211.11325	6.9
211.13274	9.9
211.14882	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03942	4.5
55.05519	20.4
57.03431	4.6
57.07063	3.3
59.04995	14.7
63.93671	2.4
67.05507	18.8
69.03424	7.7
69.07070	29.1
69.37447	12.7
69.37851	7.1
71.04996	70.5
79.05496	17.4
81.03418	2.9
81.07057	49.5
83.04962	2.9
83.08619	17.9
85.06528	7.7
91.05470	10.4
93.07050	50.8
95.08609	67.9
97.06540	30.5
97.07632	2.1
97.10162	5.7
99.04481	18.0
99.08095	13.2
105.07042	14.4
107.08604	42.4
109.06512	4.9
109.10167	30.8
111.08060	5.9
113.09628	3.8
115.07556	18.8
119.08580	60.9
121.10146	25.1
123.08063	11.6
123.11713	66.0
125.09619	5.1
127.07560	5.0
133.10144	43.8
135.11697	100.0
137.09634	7.3
137.13237	4.4
141.09096	4.9
141.12726	8.1
147.08043	3.1
147.11678	7.0
149.13251	10.6
153.12740	26.0
155.10638	6.8
165.09103	8.3
167.07045	9.9
167.14273	3.2
175.14845	58.9
182.80231	2.4
193.15900	25.8
211.16946	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
51.21165	0.4
53.03951	0.6
54.32521	0.5
55.01873	1.0
55.05509	1.7
57.03436	1.3
57.07076	4.4
59.05011	1.0
65.03944	0.7
67.01865	1.8
67.05507	4.5
68.99794	2.5
69.03432	1.5
69.07071	1.4
70.08833	1.5
71.04983	0.7
75.46623	0.4
79.05499	1.7
79.46808	0.4
81.03426	2.3
81.07064	3.7
83.04969	1.1
83.08617	0.8
85.02908	1.2
85.06540	3.4
87.89694	0.4
91.05486	1.7
92.04092	0.5
93.07041	2.1
95.04974	3.9
95.08635	2.1
97.06544	0.7
99.04459	1.4
99.08100	1.0
103.05465	0.5
105.07040	2.5
105.19270	0.5
107.08604	1.3
109.02853	2.1
109.06529	1.3
109.10163	1.9
111.04464	0.7
111.08062	0.6
119.08580	1.4
121.06535	1.3
123.04436	29.1
123.08037	0.7
123.11685	0.5
125.09638	0.6
127.03918	10.3
127.07574	0.9
129.06984	0.4
133.06523	0.9
133.10138	0.7
135.11707	0.8
137.02271	0.5
137.05994	2.2
137.09662	0.5
137.27362	0.5
139.03912	23.2
147.08049	0.5
147.11690	0.9
149.05984	1.2
151.03911	37.1
151.07550	1.2
153.01816	4.0
153.05460	3.2
155.03398	100.0
156.03735	1.4
164.04765	0.6
165.05466	3.0
165.09123	3.7
165.12772	0.5
167.07050	6.0
169.04973	6.8
169.10133	0.8
175.07556	1.2
175.14798	0.5
178.06268	0.7
179.07025	1.6
181.08540	0.8
183.11722	0.6
193.08623	15.3
193.15967	0.5
211.09659	72.3
212.09938	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
53.03950	2.0
55.01857	3.7
55.05513	12.5
56.96561	2.2
57.03423	4.4
57.07074	8.6
59.04989	2.5
67.01859	1.7
67.05508	22.6
68.68735	1.3
68.99787	8.1
69.03422	7.2
69.07072	6.2
69.35852	11.6
70.06606	2.1
71.04993	13.0
72.08147	2.7
78.04705	1.2
79.05507	8.5
81.03407	4.9
81.07059	18.6
83.04971	5.5
83.08608	3.4
85.02916	2.7
85.06542	25.2
89.08438	1.2
91.05492	8.7
93.07064	7.6
95.04970	11.0
95.08621	11.5
97.06499	2.7
97.10129	1.3
98.06030	2.1
99.04427	2.9
99.08094	2.2
103.05487	1.4
105.07029	8.8
106.04160	1.8
107.04958	2.2
107.08598	6.7
109.02853	1.8
109.06525	23.0
109.10129	7.2
111.00806	3.2
111.04447	2.5
119.08598	6.4
121.06496	4.9
121.10119	5.3
123.04435	86.3
123.08080	14.1
123.11684	7.2
125.09592	3.6
127.03925	14.0
127.07568	12.1
127.95773	1.3
129.07025	2.7
133.06465	1.7
133.10141	3.6
135.11708	2.4
137.05969	10.7
137.09612	3.5
139.02832	1.7
139.03908	31.1
141.06989	1.5
147.08025	5.5
147.11642	3.0
149.05948	4.9
149.09598	1.4
151.03906	55.8
151.07541	5.1
151.11201	2.9
152.07083	1.7
153.01842	4.5
153.05472	3.5
155.03395	100.0
155.08543	3.6
156.03784	1.4
163.97711	2.3
164.04671	2.5
165.05457	4.4
165.09105	26.8
165.12798	1.6
167.07050	28.6
169.04974	8.0
169.08731	3.0
169.10129	7.6
169.12250	1.3
175.07529	6.0
175.14812	4.2
178.06209	1.5
179.07028	2.6
181.08585	3.5
181.10069	2.9
183.08160	1.3
183.11713	2.8
193.08606	76.1
193.15906	5.1
194.09157	1.6
196.08852	1.7
196.12534	3.7
205.98816	2.0
211.02322	1.8
211.07939	3.9
211.09654	98.2
211.11169	4.2
211.14841	9.4
211.16641	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
53.03932	0.5
55.01868	1.2
55.05505	2.3
57.03416	0.4
57.07082	0.5
59.05012	0.5
65.03965	0.4
67.05505	3.1
69.03420	1.0
69.07065	1.8
70.06592	0.8
70.50650	0.3
71.04993	0.9
71.51250	0.5
72.08143	2.6
73.58710	0.4
79.05500	3.1
81.03409	1.1
81.07062	3.1
83.04974	0.9
83.08611	1.1
85.02876	0.4
85.06582	0.8
91.05481	5.1
93.07056	5.1
95.04994	2.2
95.08619	2.5
97.06524	0.8
99.04467	0.4
99.08109	0.9
103.05465	1.3
105.06328	0.4
105.07032	6.7
107.04977	0.5
107.08589	4.1
109.06522	1.4
109.10146	3.4
111.08108	1.0
117.07014	1.4
119.08584	100.0
120.08916	1.5
121.06490	0.8
121.10152	16.4
123.04432	1.1
123.08074	2.1
123.11723	1.3
125.09622	0.9
129.06992	0.5
131.08559	1.0
133.06487	1.2
133.07555	0.6
133.10150	0.8
135.11679	0.7
137.05984	1.2
137.09624	2.4
139.07497	0.4
139.11177	0.4
147.08046	9.3
147.11737	0.5
149.06004	0.7
149.09644	0.6
150.06700	0.5
151.03891	0.5
151.07539	0.7
151.11157	0.6
152.07068	0.5
165.09122	30.7
166.12215	1.7
167.07027	2.3
175.14879	0.5
179.07008	1.8
181.08641	0.4
184.09744	0.6
193.04958	0.7
193.08617	11.3
193.10329	0.6
193.12314	1.0
194.08983	0.4
211.09662	12.1
211.12932	0.6
211.16725	0.4
212.09436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0968
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
53.03954	0.6
55.01886	1.0
55.05515	3.3
57.03450	2.5
57.06828	0.5
57.07082	6.0
59.05007	1.6
65.03938	0.8
66.09083	0.3
66.21416	0.3
67.01873	2.7
67.05508	6.9
68.99792	3.4
69.03437	1.6
69.07079	2.7
70.06602	0.4
70.08938	0.9
70.09336	0.6
71.01376	0.5
71.05003	1.4
72.08140	0.3
79.05489	2.7
81.03413	2.5
81.07063	5.6
83.04980	1.4
83.08621	1.4
85.02924	1.0
85.06551	4.4
91.04961	0.5
91.05491	3.8
93.03388	0.5
93.07044	3.3
95.04980	4.7
95.08612	4.3
97.02916	0.5
97.06551	1.2
97.10147	0.4
99.04453	1.8
99.08099	1.2
103.05470	1.1
105.07037	3.9
106.04155	0.4
107.04952	0.7
107.08613	2.7
109.02877	1.8
109.06534	1.8
109.10161	3.9
111.00809	0.5
111.04446	1.4
111.08092	1.0
115.69025	0.4
118.04175	0.7
119.04927	0.9
119.08569	2.4
121.06540	1.8
121.10155	1.4
123.04441	31.0
123.08049	1.9
123.11727	1.6
125.05985	0.5
125.09648	1.6
127.03928	10.1
127.07573	1.2
128.06226	0.4
131.08588	1.1
133.06500	1.4
133.10150	1.4
135.04550	0.4
135.11684	1.6
137.02362	0.5
137.05980	2.3
137.09633	1.1
137.13219	0.3
139.03911	22.4
139.11180	0.8
147.08067	0.8
147.11697	1.5
149.05975	2.2
149.09630	0.6
150.06691	0.4
151.03914	37.5
151.07507	2.4
151.11282	0.5
151.14853	0.4
152.04219	0.6
153.01811	3.6
153.05458	3.6
155.03401	100.0
156.03799	1.7
157.10245	0.6
164.04675	0.6
165.05484	2.6
165.09123	4.0
165.12784	0.9
167.07057	13.6
167.10667	0.6
169.04962	6.4
169.10104	0.8
173.13213	0.4
175.07520	1.2
175.11200	1.1
175.14832	1.4
178.06247	0.4
179.07083	3.4
181.08592	1.4
181.10110	0.5
183.08099	0.5
183.11710	0.5
193.04991	0.5
193.08621	15.5
193.12244	1.1
193.15930	1.1
196.12392	0.5
205.98761	0.5
211.09660	67.7
211.14806	1.6
211.16937	1.4
212.09927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24151	0.3
56.96569	0.8
69.03429	0.4
70.02945	1.5
70.06593	0.3
70.62309	0.9
72.04524	1.4
73.61824	0.3
79.05497	1.8
91.05495	4.1
93.07043	1.5
95.01334	16.6
95.04949	0.8
98.97572	0.6
99.00813	0.8
103.05470	6.0
104.06332	0.4
105.07034	7.4
107.04948	2.2
112.03971	2.6
114.05449	0.4
115.05377	0.3
117.05791	1.5
117.07044	2.5
118.06552	3.1
119.07324	6.4
119.08602	0.7
120.08108	8.2
121.06517	4.5
123.06802	0.5
128.06253	1.1
129.06999	5.0
130.06503	0.5
131.04951	1.9
131.07294	1.8
136.07549	0.5
138.05519	0.4
140.36269	0.4
144.08090	0.6
146.09656	7.1
150.05470	0.6
155.06052	0.3
164.10718	100.0
165.11081	1.9
182.04478	1.5
182.08125	0.6
192.06519	0.5
192.10202	1.2
210.07774	0.5
210.11261	13.4
210.13263	0.7
231.93269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01860	1.6
55.05511	8.6
57.03420	1.6
57.07077	11.6
67.05500	8.4
69.03082	1.5
69.03429	19.7
69.07067	5.1
69.40453	2.9
69.40881	4.9
71.05017	1.4
79.05497	8.9
81.03423	2.1
81.07059	14.8
83.04982	17.5
83.08617	4.2
85.06537	8.5
91.05491	6.8
93.07053	6.8
95.04952	4.5
95.08612	10.7
97.06518	4.2
99.04427	1.3
99.08096	1.5
105.07024	6.6
107.08593	35.7
109.06511	11.6
109.10150	3.6
111.08078	9.3
117.07095	1.1
118.17722	1.0
119.08614	6.5
121.06500	3.8
121.10146	14.6
123.08068	7.3
123.11705	7.5
123.12443	1.2
125.09632	66.3
131.08578	7.7
133.10120	8.5
135.08063	13.4
135.11719	6.9
137.09615	1.8
143.08559	2.0
145.10120	4.5
147.11694	5.1
149.05946	1.8
149.09630	7.9
149.13268	9.4
151.11189	4.8
153.09106	15.4
158.10899	3.4
161.09595	1.5
161.38635	1.0
163.03940	1.0
163.11168	3.5
163.14857	5.3
165.12746	18.2
167.07072	1.9
173.13260	18.7
176.11975	1.6
177.05443	1.9
191.03368	2.3
191.14314	90.8
192.14726	1.9
209.04465	2.2
209.15370	100.0
216.11522	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	3.3
55.01874	7.2
55.05518	8.7
56.09212	1.0
57.07081	6.2
59.05007	1.5
62.60047	0.9
65.03923	3.1
67.05511	8.0
69.03437	9.4
69.07075	9.9
70.56217	2.9
71.04996	6.6
75.04471	1.9
78.04709	2.3
79.05128	1.2
79.05501	11.6
81.03400	1.6
81.07060	14.9
83.04981	12.6
83.08611	6.1
84.67393	1.0
85.02895	1.4
85.06535	2.3
85.46425	1.1
89.03933	1.6
89.06015	1.3
91.04967	1.7
91.05480	16.7
93.03415	3.3
93.07040	16.0
95.04966	11.1
95.08611	18.5
97.06524	7.0
97.10184	1.0
99.04467	2.1
99.08097	1.8
103.05441	6.0
105.04486	1.3
105.07031	10.0
106.04183	12.3
106.06564	2.4
107.04937	4.1
107.06911	1.8
107.08598	23.5
107.10941	1.1
109.06522	100.0
109.10150	12.0
111.04439	1.4
111.08102	5.5
117.03386	1.3
117.07012	2.2
117.95984	1.3
119.04952	2.3
119.08612	5.6
119.29137	1.0
121.06509	21.0
121.10159	18.4
123.04448	1.8
123.08069	14.7
123.11694	3.2
125.05972	3.5
125.09636	7.5
131.04936	2.3
131.08585	8.7
132.52037	1.1
133.06554	1.5
133.10135	15.4
134.03627	3.7
135.08060	25.9
135.11647	5.5
137.05969	1.9
137.09608	4.6
139.07506	1.4
139.11188	2.5
143.08577	1.3
145.02858	2.3
145.10110	4.6
147.11717	5.4
148.05225	2.7
149.05981	16.7
149.09645	10.4
149.13271	10.7
150.10350	1.1
151.07553	1.5
151.09970	2.4
151.11188	45.8
153.01794	2.7
153.05376	1.4
153.09125	11.8
158.10918	2.8
163.03912	1.7
163.07480	2.5
163.11208	2.5
163.14842	6.4
164.07126	2.0
165.05438	1.3
165.12779	5.7
166.06261	1.1
167.07126	5.8
167.08389	1.7
167.14319	4.0
173.13286	13.1
176.04764	1.0
177.05484	11.4
179.08522	2.0
181.08580	3.7
181.09969	1.3
183.26511	1.0
191.03401	3.1
191.07066	2.8
191.10616	1.5
191.14322	40.8
205.64586	0.9
209.02789	1.1
209.04478	7.6
209.08032	9.3
209.09805	1.7
209.11612	1.7
209.13411	2.0
209.15352	24.6
214.55313	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03946	3.0
55.01874	3.7
55.05514	5.3
57.03434	1.5
59.04998	1.8
67.05495	6.7
69.03442	11.7
69.07059	6.3
71.04976	2.6
71.06456	3.5
78.04703	1.9
79.05499	9.8
79.61997	1.5
81.03439	9.5
81.07056	18.4
83.04971	5.2
83.08627	2.2
85.06535	1.5
91.05488	11.0
93.03450	2.2
93.07058	10.0
95.04972	10.5
95.08620	11.1
97.06559	1.6
99.04423	2.2
103.05470	4.5
105.07015	7.6
107.04934	7.1
107.08592	26.1
109.06528	15.0
109.10159	4.6
111.04460	2.1
111.08075	2.4
115.05437	2.5
117.07011	3.8
119.04951	5.3
119.08593	8.9
121.06531	10.0
121.10155	21.1
123.08054	13.9
123.11727	8.8
125.05996	2.0
125.09581	2.7
131.04941	2.3
131.08594	2.6
133.02863	2.8
133.06511	2.7
133.10146	4.8
135.08105	10.7
135.11700	2.0
136.05179	2.0
137.05965	3.0
137.09616	4.7
137.13240	2.6
138.06738	1.8
139.31784	1.6
145.10147	2.4
146.07361	2.0
147.04417	9.5
147.08073	4.6
147.11688	6.0
148.05191	4.7
149.05988	5.3
149.09654	13.2
149.13300	9.8
151.07571	9.1
151.11195	6.6
153.01909	2.1
153.05435	7.5
153.09088	2.0
154.06171	2.3
161.05920	1.5
162.06781	5.4
163.07576	9.7
163.14850	3.5
165.05486	7.2
165.12764	100.0
166.06255	8.8
168.07813	13.7
173.13275	4.5
177.05484	2.0
177.09119	6.7
178.09903	24.4
179.07037	13.1
181.08607	34.5
181.10201	1.7
188.68285	1.6
191.14325	8.6
194.09421	27.1
194.11055	1.3
209.04556	1.6
209.08105	5.6
209.11743	42.4
209.15338	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01857	2.8
55.05278	2.4
55.05516	33.1
57.03420	1.7
59.04987	2.3
65.03936	3.8
67.05510	8.4
69.03431	9.1
69.07070	7.5
71.03495	1.4
71.04996	9.7
71.15908	3.0
71.62152	1.8
79.05494	6.9
81.07065	16.3
83.04992	41.3
83.08627	20.3
85.06550	2.1
91.05482	6.3
93.07059	7.4
95.04974	100.0
95.08610	15.4
97.06551	7.5
97.10164	2.6
99.04466	16.1
99.08100	3.1
103.76499	1.5
105.07041	8.7
106.04168	3.2
107.04955	1.9
107.08601	30.8
109.06524	9.2
109.10173	13.7
111.08093	6.4
119.08596	2.7
121.06505	5.0
121.10153	21.8
123.08086	3.5
123.11684	6.0
125.05975	2.0
125.09634	8.7
131.08585	4.8
133.10141	12.5
135.08081	7.3
135.11734	3.8
145.10182	2.7
147.11688	5.5
149.05945	4.7
149.09622	5.3
149.13240	11.2
151.11195	58.9
153.01831	2.4
153.09106	20.9
158.10867	2.4
163.14824	5.2
165.12781	3.3
167.14322	26.1
173.13281	10.7
191.14320	27.4
209.08115	3.4
209.15376	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01866	2.2
55.05504	4.4
57.03426	1.5
59.05012	3.8
67.05495	6.0
69.03440	2.6
69.07061	7.3
69.44658	9.7
74.72343	1.3
79.05501	25.8
81.06593	3.0
81.07061	47.1
83.04979	4.3
83.08605	1.9
84.67587	1.3
91.05486	11.9
93.07043	8.6
95.04962	4.1
95.08603	5.3
97.06548	4.7
105.07027	9.8
106.04174	2.4
107.08595	100.0
109.06521	15.2
109.10160	4.6
115.05454	3.8
115.07568	2.3
117.07056	1.9
119.08599	3.4
121.06552	1.7
121.10144	22.5
122.07256	3.8
123.08024	2.3
125.09630	1.8
131.08539	3.8
133.10132	42.3
133.11098	2.6
135.08066	13.9
135.11670	1.7
137.09619	34.1
137.10600	2.6
149.13251	7.5
151.11140	2.1
153.09169	2.6
163.14821	11.3
173.13303	4.6
191.14325	11.4
209.15414	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	209.1538
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
53.03943	3.4
53.54646	1.6
55.01863	2.9
55.05513	72.9
56.67069	1.8
59.04996	3.2
63.55679	1.7
67.05515	10.3
69.03406	5.9
69.07053	6.7
69.57368	12.0
71.04987	3.0
73.84849	1.7
79.05492	6.0
81.07060	15.5
83.04984	100.0
83.08623	39.4
85.06522	3.4
87.64125	1.7
89.89071	1.9
91.05473	5.7
93.07050	18.1
95.04975	23.0
95.08604	7.9
97.06555	8.6
97.10149	8.0
99.04470	2.5
99.08144	1.8
105.07021	7.3
107.08598	27.0
109.06541	19.6
109.10152	26.4
109.10854	3.0
111.08072	11.0
112.08810	2.3
119.08530	2.9
121.06513	2.6
121.10152	35.9
123.11749	11.2
125.09623	15.9
133.10117	9.8
135.08054	2.2
149.05927	2.7
149.13264	6.8
151.11185	34.0
153.01831	7.0
153.09091	8.4
163.14847	6.7
167.14323	72.8
168.14516	2.3
173.13161	2.4
177.05644	2.0
191.14343	4.3
209.08112	9.5
209.15379	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	1.8
55.01859	2.8
55.05513	11.0
57.03440	5.7
57.07066	3.7
59.05004	4.3
65.03944	2.0
67.05514	10.1
69.03424	3.3
69.07070	6.6
71.04996	5.6
71.07992	1.7
79.05495	10.9
81.06595	1.4
81.07061	27.1
83.04980	15.1
83.08624	8.8
85.06532	2.2
91.05477	7.6
93.06506	0.9
93.07050	12.4
95.04372	1.7
95.04971	29.1
95.08614	9.0
97.06536	23.9
99.04437	4.5
99.08083	1.6
103.05447	1.8
105.07034	12.9
106.04151	1.1
107.04935	1.3
107.08598	24.3
108.46741	0.8
109.06522	100.0
109.10162	22.2
110.10438	1.0
111.04461	1.2
111.08099	6.6
113.05984	1.6
115.05482	1.1
115.07557	1.0
117.07012	2.4
119.08559	4.7
121.06529	4.4
121.10151	31.7
123.08073	5.0
123.11686	4.9
125.06002	1.8
125.09606	4.3
131.08560	6.9
133.10138	23.8
135.08058	12.5
135.11621	4.7
136.95921	0.9
137.09602	3.3
143.08551	1.3
145.10129	4.1
147.11618	4.2
149.05980	2.5
149.09645	4.2
149.13264	9.4
151.11191	9.3
153.01860	9.7
153.09105	27.2
158.10913	2.7
163.11169	1.8
163.14832	8.3
165.12753	1.2
167.07021	1.5
167.14310	10.1
173.13281	13.5
191.06987	1.9
191.14331	24.9
191.16083	1.3
209.08122	10.4
209.15375	31.5
216.48402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39080	0.7
53.50227	0.7
57.51328	0.8
59.21714	0.9
59.27053	0.7
59.31210	0.7
69.10049	0.7
69.80376	4.0
85.01986	0.8
85.18137	0.8
110.29400	0.8
163.08481	1.4
209.08984	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03930	5.7
55.01871	14.1
55.05508	23.2
56.21095	1.5
57.03442	7.7
57.07060	5.2
59.05000	3.4
60.04496	2.4
65.03921	3.4
67.05508	20.6
68.37004	1.6
69.03135	1.6
69.03431	16.7
69.07068	22.8
69.24086	6.5
69.24512	7.8
70.06599	3.8
71.04992	27.4
79.05496	46.1
81.03405	3.5
81.07060	26.3
81.46095	1.4
83.04983	38.7
83.08627	10.7
84.73041	1.5
85.02912	4.2
85.06536	5.2
89.03919	3.0
91.05482	38.0
93.03388	2.5
93.06483	2.8
93.07045	54.9
95.04973	18.5
95.08606	16.8
97.06519	15.9
97.10130	2.0
98.21461	2.8
99.04454	5.0
99.08080	2.9
103.05447	6.7
105.03400	1.5
105.04510	2.1
105.07033	40.9
106.04188	7.2
107.04962	24.8
107.08598	78.9
108.05200	1.7
109.06509	21.7
109.10150	13.8
111.04438	4.0
111.08061	7.8
115.05437	1.9
116.06238	2.2
117.07040	9.7
119.04903	2.6
119.08601	19.3
121.06505	52.3
121.10145	52.9
123.04416	3.1
123.08067	28.1
123.11689	7.3
124.08387	1.5
125.05991	11.8
125.09641	18.0
129.06953	4.2
130.07764	4.3
131.04889	4.9
131.08571	100.0
133.10092	9.9
134.03667	3.2
135.04408	4.6
135.08051	11.7
135.11670	10.0
135.13506	1.4
137.05988	2.9
137.09615	3.9
139.07510	4.8
139.11163	2.1
141.05460	3.1
143.08562	2.1
145.02875	1.8
145.10124	38.7
147.04399	2.5
147.08040	5.4
147.11659	8.5
148.05202	2.6
149.05989	22.4
149.09627	79.4
149.13251	13.4
150.09982	1.9
151.07549	3.7
151.11177	14.3
153.05463	14.4
153.09108	10.1
158.10922	2.4
163.03850	3.5
163.07509	3.0
163.11192	32.0
163.14806	7.0
165.09085	2.6
165.12737	6.1
167.07056	21.2
167.08453	2.6
167.10692	4.8
167.14311	15.4
173.09613	2.5
173.13277	10.8
177.05510	13.8
181.06503	3.7
181.08595	2.7
191.03448	2.1
191.07034	2.2
191.10681	34.1
191.14325	33.8
194.05701	1.9
197.17477	1.6
209.04460	13.6
209.08122	13.4
209.09763	3.2
209.11726	49.2
209.15353	54.8
209.17363	2.7
212.65504	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03954	2.9
55.01870	4.0
55.05515	74.4
57.03444	1.6
57.07065	1.7
59.05000	3.6
60.93516	1.3
67.05518	8.4
69.03419	6.3
69.07074	7.8
69.79227	8.7
71.04982	1.4
71.22721	1.7
79.05493	6.8
81.07052	14.6
83.04985	100.0
83.08623	34.4
85.06562	2.4
86.01197	1.4
88.28692	1.5
91.05479	6.4
93.07056	16.6
95.04968	19.1
95.08608	9.1
95.24523	1.5
97.06512	9.8
97.10172	7.8
99.04472	3.1
105.07030	6.3
106.04227	1.8
107.08604	24.3
109.06526	17.0
109.10156	23.9
111.08089	10.3
113.09608	2.5
119.08588	4.0
121.06509	2.2
121.10148	32.1
123.08058	2.5
123.11716	11.3
125.09650	12.0
131.08615	2.2
133.10129	8.5
135.08038	2.6
135.11707	1.9
138.06299	3.6
147.11702	2.1
148.75610	1.4
149.05989	3.4
149.13242	8.7
151.11203	36.7
153.01820	7.3
153.09123	7.3
161.43942	1.5
163.14810	6.5
167.14325	67.3
173.13272	3.0
177.05515	3.5
191.14345	6.7
209.08081	5.6
209.15376	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	209.081
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
50.39830	1.2
52.98978	1.1
53.03949	10.0
55.01874	17.7
55.05513	12.1
57.03426	3.6
59.04997	2.3
61.02920	1.2
65.03938	15.4
67.05504	11.9
69.03422	3.6
69.07074	8.5
70.85339	3.4
71.04979	4.8
75.04486	10.2
77.03935	2.7
78.04707	14.1
79.05491	16.4
81.03423	3.8
81.07055	18.3
82.04179	1.8
83.04985	11.1
83.08618	5.5
84.08143	1.4
85.02898	9.0
85.06563	2.2
89.03930	6.1
89.06009	2.2
91.05482	54.1
93.03412	30.9
93.07050	28.6
93.80552	1.1
95.04974	24.5
95.08609	11.8
97.06521	15.4
99.04456	3.0
99.08041	1.2
103.05473	22.3
105.03406	2.6
105.04530	5.0
105.07028	8.2
106.04179	87.5
107.04984	8.4
107.08595	24.1
108.05732	2.0
109.06518	14.7
109.10137	7.5
110.07288	1.4
111.04450	4.2
111.08081	5.5
113.09682	1.3
117.03403	6.0
117.06997	2.0
118.04138	3.0
119.04949	5.5
119.06041	1.7
119.08557	2.7
120.05732	1.5
121.06509	86.6
121.10133	13.0
123.04446	4.4
123.08078	5.7
123.11717	3.9
124.05197	1.7
125.05994	22.4
125.09640	5.7
131.04971	6.7
131.08569	4.5
133.02881	1.5
133.06435	1.3
133.10150	4.4
134.03627	15.7
135.04405	4.3
135.08067	7.6
135.11696	7.7
137.05992	13.2
137.09596	1.3
138.06743	4.2
139.03960	1.5
139.07552	6.8
145.02849	6.4
145.10136	4.8
147.04443	3.9
147.11597	1.4
148.05176	9.8
149.05991	100.0
149.09636	5.9
149.13226	5.8
150.06340	1.5
151.03911	2.4
151.07570	4.9
151.11191	6.9
152.04750	2.1
152.08286	1.6
153.01817	6.4
153.05496	7.2
153.09113	23.9
159.04387	2.3
163.03929	5.8
163.07556	6.3
163.11185	3.6
163.14827	4.5
165.05475	2.0
165.12781	7.5
166.06250	3.7
166.07733	1.5
167.07091	7.5
167.08365	1.8
167.14337	7.4
173.09367	1.3
173.13298	6.6
176.04683	2.2
177.05479	36.1
179.08575	3.0
180.07841	1.8
181.08600	21.1
181.09999	1.2
191.03455	4.1
191.06912	6.4
191.10637	3.9
191.14322	20.3
194.05696	2.3
194.10988	1.8
209.04517	9.7
209.08064	31.9
209.11497	2.6
209.13254	3.5
209.15311	16.7
209.18900	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Panepoxydione
Peak:m/z	Relative Intensity
53.00296	0.7
53.03928	1.1
55.01885	6.3
55.05270	1.0
55.05516	11.2
56.96545	1.1
57.03422	2.8
57.07068	2.5
59.04996	3.1
64.90202	0.8
65.03921	1.8
67.01854	3.5
67.05514	9.0
67.98078	0.7
68.05819	1.1
68.99783	2.7
69.03433	11.5
69.07084	4.1
70.06606	1.7
70.83080	1.5
71.04996	5.9
72.08152	1.8
78.04688	1.1
79.05499	9.9
81.03416	1.3
81.07060	12.9
83.04990	17.7
83.08620	5.8
84.08160	1.1
85.02891	1.6
85.06526	1.4
91.05489	10.2
93.03406	1.5
93.07050	14.3
95.04980	29.4
95.08619	7.9
97.02859	1.3
97.06538	11.0
97.10128	1.5
99.04462	5.1
103.05465	2.8
105.07037	7.1
106.04185	2.6
107.04942	3.5
107.08607	18.0
109.02847	0.9
109.06527	39.4
109.07622	1.5
109.10168	9.1
111.00777	2.0
111.08098	4.8
114.36393	0.7
117.07020	2.4
119.04958	1.8
119.08569	5.3
120.08096	1.2
121.06536	6.9
121.10141	14.0
123.04416	1.6
123.08073	4.8
123.11698	2.8
125.05943	1.3
125.09633	6.2
130.00612	0.8
131.04985	1.8
131.08588	6.8
133.09123	1.0
133.10139	16.9
135.04498	1.5
135.05519	1.6
135.08076	9.8
135.11676	3.0
137.05913	1.7
137.09648	1.1
138.03067	0.8
139.11220	1.6
145.10127	3.6
147.04416	0.9
147.11691	1.5
148.05278	1.1
149.05963	4.4
149.09650	3.9
149.13281	5.8
151.03885	2.2
151.11186	7.5
152.06165	1.1
153.01839	100.0
153.09117	14.1
154.09523	0.7
158.10919	1.7
163.03900	3.2
163.07544	2.3
163.11172	2.4
163.13150	1.8
163.14810	2.8
164.07034	0.9
165.10258	1.3
165.12839	1.2
167.07054	2.9
167.14317	9.3
171.02907	7.0
173.13258	8.4
176.04662	3.1
177.05513	3.8
181.04962	11.7
181.06485	1.1
181.08597	1.0
181.10384	0.8
191.03381	1.7
191.07034	13.6
191.10651	2.2
191.14345	17.5
194.02121	1.9
194.05775	1.7
209.04466	7.9
209.08098	91.5
209.13583	7.8
209.15396	18.4
210.08464	1.0
210.11296	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Panepoxydione
Peak:m/z	Relative Intensity
51.61884	0.3
53.03972	0.4
55.01875	0.7
55.05510	1.7
57.07067	0.3
58.62375	0.2
59.05007	1.9
65.76308	0.3
67.01881	1.7
67.05513	1.0
68.99789	2.0
69.03435	1.3
69.07076	0.7
71.05003	0.7
79.05498	1.5
81.07059	1.0
83.04983	5.3
83.08617	0.4
85.16392	0.3
91.05476	1.3
92.95486	0.2
93.07053	1.2
95.04962	2.9
95.08611	1.9
97.02902	0.4
97.06522	1.8
99.04483	0.4
103.05504	0.4
105.07034	0.9
106.04141	0.3
107.04970	1.8
107.08599	2.1
109.06525	5.7
109.10165	0.7
111.00780	1.4
111.08094	0.5
117.07007	0.5
119.08554	0.6
121.02856	0.2
121.06538	1.5
121.10157	1.6
123.04444	1.8
123.08054	0.8
125.06001	0.6
131.08591	0.6
133.10146	1.0
135.08080	2.4
139.03908	0.6
145.06511	0.3
145.10129	0.6
149.02415	0.4
149.05960	0.9
149.09592	0.6
149.13232	0.6
151.03883	2.4
151.11180	0.4
153.01840	100.0
153.09094	2.0
154.02167	0.6
163.03932	1.8
163.07562	1.2
163.11240	0.3
163.14812	0.5
167.07117	0.6
171.02960	0.4
173.13283	1.0
176.04695	1.6
177.05441	0.3
191.03455	1.2
191.07045	12.4
191.14365	1.2
209.08105	88.7
209.15344	2.7
210.08455	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02376	1.8
53.03755	0.8
53.03949	9.5
55.01875	17.8
55.05504	2.4
57.03427	1.8
57.07059	1.5
60.18136	0.8
63.02353	1.0
65.03610	1.3
65.03938	16.2
67.05502	6.4
69.03421	2.1
69.07063	2.0
70.02136	2.2
70.02534	1.6
70.06629	0.9
71.04978	1.6
75.04477	12.1
77.03922	2.3
78.04713	14.7
79.05503	10.8
81.03407	3.2
81.07067	5.1
82.04194	1.6
83.04963	3.5
83.08600	1.0
85.02905	9.8
89.03907	8.2
89.06004	1.7
91.05482	45.8
92.06260	1.0
93.02825	1.7
93.03406	32.7
93.07047	21.6
95.04971	17.9
95.08592	3.9
96.05732	1.1
97.06531	14.6
98.20791	0.8
99.04479	1.1
101.54866	0.7
103.04803	1.4
103.05467	25.1
105.03384	3.7
105.04514	5.3
105.07052	5.0
106.04175	87.0
107.04976	7.6
107.08586	5.2
108.05716	2.4
109.06523	8.7
109.10142	2.5
110.03664	0.9
110.07330	1.5
111.04426	2.4
111.08039	1.6
117.03395	8.1
117.84154	0.8
118.04158	2.4
119.04964	4.7
119.05850	0.7
119.08567	2.0
119.89149	0.8
120.05685	1.8
121.06506	86.3
121.10143	3.6
122.03629	1.3
122.07305	2.1
123.04450	5.8
123.08065	2.6
123.11723	1.0
124.05209	2.0
125.05993	25.6
125.09635	2.8
131.04941	6.7
131.05891	1.4
133.02820	2.0
133.06476	1.9
133.10121	1.2
133.40576	1.0
134.03633	14.4
135.04433	3.9
135.08052	3.7
135.11679	2.1
137.05981	12.3
137.09572	1.0
138.06776	4.9
139.03999	0.8
139.07556	6.5
145.02876	5.3
145.10132	2.3
147.04408	3.5
147.11679	1.0
148.05193	9.4
149.05981	100.0
150.06415	1.7
151.03856	2.6
151.07553	4.2
151.11232	1.4
152.04636	1.0
153.01787	1.0
153.05450	7.7
153.09100	17.9
159.04376	2.7
162.03194	1.3
163.03880	3.5
163.07529	5.6
163.11163	1.3
165.05568	1.9
165.08340	1.0
165.12758	1.5
166.06235	3.8
167.07011	2.7
167.14407	0.9
173.13216	1.8
175.25864	1.0
176.04695	2.0
177.05475	39.2
179.08485	1.1
180.07912	1.2
181.08603	19.9
181.10211	1.2
191.03438	1.3
191.07016	4.7
191.10608	1.4
191.14301	4.5
194.05765	2.1
201.83769	1.1
209.04614	4.5
209.08072	25.6
209.13365	1.7
209.15340	6.7
209.17220	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
56.96573	0.8
57.03436	0.4
59.04978	0.4
62.99080	0.8
63.88219	0.3
69.03427	5.7
70.92880	0.9
73.01141	10.8
73.02908	1.6
73.82368	0.3
74.00666	0.8
76.02244	2.9
76.33844	0.3
87.04467	0.9
88.70190	0.3
91.02174	4.2
95.91135	0.3
97.02892	0.5
98.97555	0.9
99.02675	1.1
110.05936	0.3
116.05315	0.8
119.01642	100.0
120.01988	0.6
121.06536	0.6
137.02699	0.7
137.06001	0.6
144.04794	2.0
150.05518	1.1
157.03505	0.4
162.05881	1.0
164.09032	0.3
167.01892	0.4
172.04076	0.4
185.02931	2.5
190.03819	0.3
190.05240	1.7
190.08562	0.6
191.03740	11.7
208.04575	0.7
208.06343	1.3
208.09708	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80101	0.3
55.01906	0.4
56.96574	3.7
58.99871	4.8
67.92550	0.6
68.24560	0.3
68.98330	0.6
69.55860	2.4
69.96231	0.8
71.94141	0.7
73.15537	0.3
73.52789	0.4
75.55150	0.3
77.00911	2.4
80.05048	0.4
81.03430	2.9
81.07088	0.5
81.95101	0.8
82.01460	2.8
82.94891	1.1
82.99936	0.5
86.99390	0.7
95.01968	0.4
97.01435	0.4
98.21461	0.7
98.97594	3.9
100.00143	0.4
100.02497	10.5
101.00890	2.8
101.02618	0.5
102.00994	0.5
103.00677	0.9
103.02502	1.1
105.00412	0.7
106.96637	0.4
108.04522	0.8
109.02882	2.6
113.00914	1.1
115.02454	1.9
116.98630	3.4
118.01205	1.0
118.03521	5.2
119.01936	7.1
120.02072	1.0
121.00645	0.3
121.01658	2.2
121.03508	0.7
121.97570	0.3
122.97767	1.2
123.03009	0.3
123.97511	1.1
127.02478	0.6
129.04028	1.7
131.01927	4.6
131.96184	2.8
133.03505	0.8
134.99731	1.9
135.00636	0.4
137.00932	0.4
137.02034	0.3
137.02988	1.9
139.00821	0.4
139.02457	2.6
141.03943	2.0
142.03493	1.8
143.01913	0.9
143.95116	0.7
144.02116	0.8
144.03299	2.1
144.94844	0.7
145.03519	1.4
146.99814	0.8
147.01447	1.3
147.05064	1.3
148.01373	0.4
149.00870	1.3
149.02991	1.0
149.97186	3.1
154.03549	0.3
154.97774	1.0
155.02023	0.5
156.00340	0.5
157.03493	9.7
158.99963	0.6
159.05043	3.1
160.04555	0.6
160.95976	0.5
161.03004	1.4
161.96208	0.8
162.03128	3.4
162.04378	0.8
162.95882	0.6
165.02477	0.4
166.96730	2.0
167.01904	11.4
167.96472	1.3
170.02866	0.6
172.98866	1.6
173.03035	1.1
175.00938	1.0
175.03238	0.3
175.04526	2.0
177.01010	2.5
177.02339	0.5
177.06091	0.8
179.49586	0.3
180.05101	1.1
182.06694	0.8
184.02968	0.6
184.04633	1.3
184.97830	1.6
185.02982	100.0
185.06561	2.0
185.97502	1.2
186.03101	2.3
186.06120	0.5
188.20685	0.3
190.03549	3.0
191.99654	0.5
192.98946	0.4
193.01929	1.0
198.02455	1.1
200.10083	0.4
202.98695	1.0
203.00380	6.1
203.02263	3.3
203.04037	21.6
203.05585	0.9
203.07675	1.6
204.00369	0.4
207.96185	0.7
208.04568	27.3
208.09766	0.6
209.04733	1.2
216.03448	0.5
220.99681	0.4
221.01479	3.4
221.03258	0.8
221.05048	1.2
226.01970	2.6
226.05627	3.4
227.90712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03946	5.3
55.01872	2.2
55.05513	13.5
56.76118	1.6
57.03428	3.9
57.07067	7.3
59.04999	3.7
65.03943	5.4
67.05512	59.7
69.03436	89.2
69.07075	36.3
70.90102	2.8
71.04984	5.9
79.05498	31.5
81.03424	18.6
81.07059	30.6
83.04983	17.5
83.08626	6.1
85.02905	3.0
85.06544	3.2
89.06037	2.8
91.05493	30.7
93.07048	25.6
95.04977	45.2
95.08624	21.0
97.02888	5.2
97.06544	18.4
99.04420	2.8
103.05473	3.6
104.91895	1.7
105.04492	1.8
105.07040	47.0
106.07406	1.6
107.04965	9.4
107.08597	23.7
109.06545	26.7
109.10190	14.2
110.07319	10.0
111.08092	15.3
117.07001	7.5
118.07781	1.8
119.04944	12.7
119.08592	45.9
121.06499	8.1
121.09335	2.6
121.10160	32.9
123.04442	83.8
123.08080	17.9
123.11681	2.9
125.09619	3.9
128.06245	3.8
129.07005	5.5
131.04898	3.5
131.08636	8.2
131.09460	1.9
133.06522	9.9
133.10143	77.8
135.08061	4.3
135.11708	9.5
137.05978	17.4
137.09634	12.3
137.13281	3.0
141.07004	2.1
143.08562	7.0
145.10135	13.0
147.04420	7.2
147.08058	12.1
147.11679	25.8
149.02296	2.1
149.09616	11.7
151.07594	7.6
151.11195	2.8
153.09163	1.6
155.08530	1.9
156.09381	13.6
159.08072	3.9
159.11716	7.2
161.05997	44.1
161.09615	11.7
161.13257	33.0
163.11195	24.2
165.09129	2.0
165.12834	1.8
171.11711	14.4
174.06927	1.6
174.10437	6.4
175.03934	6.9
177.12762	6.7
179.14331	7.2
189.09134	10.7
189.12758	29.2
192.04196	3.5
207.02885	1.8
207.06606	7.6
207.13817	100.0
208.07445	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.98818	1.7
53.03959	7.8
53.72161	1.9
55.01861	6.2
55.05513	10.7
57.03440	2.7
57.07073	8.4
59.05015	3.1
65.03931	4.7
67.05507	63.8
69.03433	87.6
69.07071	36.9
69.62225	10.2
71.04979	6.2
79.05072	2.4
79.05498	32.6
81.03423	18.1
81.07056	27.7
83.04980	16.8
83.08629	3.3
84.67159	1.6
85.06528	2.4
91.05487	25.2
93.07048	23.7
95.04976	44.5
95.08610	16.5
97.02905	3.9
97.06534	14.0
99.04421	1.9
103.05466	2.5
105.07036	50.0
107.04936	7.0
107.08604	21.9
108.17957	1.7
109.06538	21.8
109.10165	13.9
110.07312	11.9
111.08073	19.8
117.06998	8.1
118.07774	1.7
119.04900	3.7
119.08588	43.4
121.06485	7.7
121.10154	35.5
123.04431	74.5
123.08082	13.4
123.11720	3.3
125.09644	4.6
129.06978	1.9
130.07788	3.3
131.08603	5.1
133.06479	6.6
133.10133	90.1
135.08029	5.6
135.11687	8.2
137.05997	21.2
137.09641	11.5
137.13232	2.4
139.11182	2.4
141.06934	2.4
143.08522	5.4
145.10124	15.7
147.04349	2.4
147.08083	12.9
147.11668	21.7
149.09592	10.6
151.07529	6.9
151.11194	3.1
156.09369	17.0
159.08041	2.3
159.11667	8.7
159.16121	1.5
161.09573	3.3
161.13249	25.7
163.11177	24.7
165.12744	2.4
166.41684	1.6
171.11691	15.5
174.10381	4.5
175.03886	3.4
177.12759	5.6
179.14369	4.5
189.12730	26.4
207.13814	100.0
208.14096	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03943	5.1
55.05507	12.1
57.07074	6.5
58.99542	2.6
65.03939	8.1
67.05509	60.5
69.03436	80.9
69.07079	36.1
70.48870	6.9
71.05000	5.9
73.56157	2.9
79.05486	21.3
81.03428	13.1
81.07071	36.3
83.05001	20.7
83.08643	6.3
85.02911	3.3
85.06579	4.5
88.97194	3.3
90.81775	2.5
91.05497	30.8
93.07047	18.9
95.04984	40.6
95.08597	18.4
97.02924	7.5
97.06550	19.2
97.64111	3.0
100.83942	3.2
105.07049	49.1
107.04976	8.1
107.08615	23.2
107.34608	3.1
109.06523	25.1
109.10155	14.3
110.07310	7.0
111.08059	14.7
117.07031	9.3
119.04930	7.2
119.08610	47.7
121.06516	7.3
121.10159	33.3
122.07339	3.2
123.04443	76.0
123.08088	15.1
123.11710	3.9
129.07028	4.5
130.07773	4.4
131.08626	5.9
133.06493	5.8
133.10152	100.0
135.08087	7.3
135.11703	8.5
137.06009	20.3
137.09653	11.8
137.13222	2.9
143.08577	3.0
145.10118	14.8
147.04402	5.6
147.08078	12.6
147.11703	25.1
147.92009	3.0
149.09659	10.5
151.07547	3.5
153.43297	3.5
156.09373	12.9
156.73677	2.9
159.08081	4.2
159.11726	5.0
161.05983	4.7
161.09607	4.3
161.13275	30.6
163.11212	25.0
165.09181	3.0
171.11768	12.7
174.10501	6.9
175.03947	4.8
177.12825	5.3
179.14217	6.2
189.12724	25.2
207.13849	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05499	9.9
57.07059	7.2
59.04987	3.8
65.03910	4.4
66.63505	2.4
67.05503	30.8
69.03426	10.1
69.07065	4.8
71.04981	4.9
71.05898	6.5
75.95950	3.0
79.05487	13.6
81.07059	22.5
83.04974	7.2
85.02909	65.9
85.06528	8.0
91.04915	2.8
91.05484	53.0
93.07061	22.3
95.04962	9.0
95.08606	93.0
105.07040	39.9
107.04968	5.5
107.08614	27.9
109.06521	11.2
109.10148	12.7
111.04436	3.6
113.05988	6.3
117.07002	6.5
119.04945	39.3
119.06869	5.0
119.07808	3.5
119.08595	49.3
120.08089	10.0
120.09341	2.8
121.06510	10.1
121.08446	23.2
121.10150	31.1
123.08074	63.9
123.11717	46.6
125.06017	6.4
129.06999	3.6
130.07777	4.7
131.08582	15.6
133.06511	6.6
133.10146	7.4
135.08066	4.3
135.11682	4.0
137.09596	8.2
143.08560	4.1
145.10135	11.7
146.10924	3.4
147.04424	34.4
147.08049	19.2
147.11696	40.8
149.02383	4.5
149.09622	98.2
151.07526	9.6
156.09354	11.5
159.08002	4.0
161.06001	10.2
161.09596	5.6
161.13257	22.4
163.11214	8.0
165.12747	12.8
171.11676	8.8
174.10402	10.4
175.03920	34.5
179.03525	4.0
179.07053	5.2
189.12749	53.7
192.04143	5.2
207.06523	14.6
207.13806	100.0
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
51.02375	1.5
53.03740	0.8
53.03948	8.3
54.51441	0.8
55.01871	1.9
55.05518	8.3
59.04973	0.8
65.03945	1.9
67.05505	26.6
69.07062	5.8
69.27935	7.4
71.04986	2.7
72.68351	0.7
73.06537	1.3
73.34384	0.8
77.03932	1.5
79.05496	46.1
81.03403	3.1
81.06591	1.4
81.07059	25.0
83.04969	3.6
83.08614	2.8
85.06533	3.6
91.05486	58.2
93.07046	100.0
95.04961	14.3
95.08613	10.2
97.06523	3.3
97.10185	1.6
98.20710	1.6
105.04539	4.6
105.07037	30.7
107.04967	1.7
107.08598	11.4
109.06533	4.7
109.10146	1.4
115.96430	3.7
116.97193	0.9
117.07030	4.2
119.04932	2.2
119.08582	18.0
121.06454	1.5
121.10164	3.2
123.08080	4.8
127.07607	1.1
128.06241	1.7
129.07016	10.2
131.08557	2.8
133.06546	1.1
133.10149	9.0
135.11736	1.1
143.08571	5.7
145.10132	8.7
147.04373	2.0
147.08023	3.0
147.11693	53.6
148.11989	0.9
149.09666	1.9
156.09357	1.2
161.05927	1.2
161.09607	4.8
161.13239	8.9
162.11560	0.9
171.11687	22.8
175.03899	1.7
175.11205	1.0
179.03355	1.3
179.14200	1.4
189.12740	9.0
207.06497	1.9
207.13800	20.0
207.17299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03937	1.6
55.01867	1.3
55.05504	4.0
57.07056	2.7
58.91129	0.9
59.04979	2.6
65.03937	5.3
67.05518	6.1
69.03450	4.5
69.07056	2.9
70.48663	2.1
70.49057	1.8
71.04978	2.9
77.03911	1.1
79.05495	6.8
80.99601	0.8
81.03401	2.6
81.07056	18.5
83.04982	2.8
83.08585	0.9
85.02910	100.0
85.06526	1.7
89.03928	2.9
91.05489	63.9
93.07050	8.2
95.04953	3.4
95.08613	8.6
97.06519	1.3
98.97541	1.2
103.05458	2.3
104.02598	1.0
104.05761	1.5
105.03410	1.0
105.06317	0.9
105.07034	18.6
107.04942	2.3
107.08588	10.7
109.06565	4.7
109.07167	0.9
109.10172	15.8
111.04440	1.5
111.08099	1.0
117.07001	3.1
118.04160	4.5
119.04952	59.5
119.08591	16.4
120.08089	4.0
121.02846	2.0
121.06509	2.2
121.08456	5.4
121.10135	12.5
123.04425	2.7
123.08080	7.3
123.11711	62.0
124.12020	1.3
125.06002	12.2
129.07007	2.5
131.04904	1.1
131.08556	3.9
132.02074	5.1
133.02821	1.2
133.06493	3.9
133.10143	4.4
134.05965	1.4
135.04405	2.5
135.08086	1.6
135.11664	2.1
136.05174	2.1
137.05963	1.3
137.09628	1.9
139.07520	1.1
141.05450	1.1
141.06966	1.1
143.08566	2.1
145.02829	1.8
145.10121	7.0
146.03645	1.6
147.04417	45.1
147.08061	6.4
147.11700	20.5
149.02301	6.1
149.09639	16.2
151.03906	1.2
151.07521	6.7
156.09320	3.7
157.03952	5.2
159.08040	1.3
159.11659	1.9
160.08905	1.2
161.05997	6.2
161.09621	4.0
161.13257	6.9
162.05490	4.3
163.11160	2.2
164.04654	2.9
165.05478	1.0
165.12750	4.9
165.96657	1.0
171.11674	3.6
174.03117	1.3
174.10422	3.1
175.03917	52.5
177.01768	1.0
177.12735	1.4
179.03281	1.3
179.07021	6.8
180.06538	1.4
189.05547	1.0
189.07466	1.3
189.09116	2.8
189.11151	0.9
189.12785	14.9
192.04190	13.2
207.02911	1.5
207.06529	27.5
207.08446	2.1
207.09956	1.8
207.13795	49.3
208.06137	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.12493	0.6
51.02380	1.6
52.40481	0.6
53.03952	8.4
55.01867	2.6
55.05513	5.5
57.03445	0.9
57.07065	0.7
65.03938	1.4
67.05509	23.3
69.03433	1.2
69.07077	5.5
70.56886	1.4
70.57267	0.9
71.04981	2.8
77.03937	2.6
79.05495	41.3
81.03423	2.1
81.07063	22.1
83.04978	3.0
83.08620	2.9
85.02906	0.9
85.06538	3.4
87.04468	0.8
91.05486	55.6
92.05799	0.7
93.07048	100.0
94.07393	0.8
95.04969	11.1
95.08610	7.8
97.06534	1.6
103.05467	0.8
105.04523	3.7
105.07036	29.5
107.04982	1.0
107.08601	8.8
109.06510	5.4
109.10194	0.7
115.05428	0.9
115.96455	4.0
117.07024	5.4
119.04919	3.9
119.08591	15.3
121.06519	3.0
121.10172	2.3
123.04427	1.7
123.08078	4.9
123.11704	0.8
127.07536	1.6
128.06265	1.5
129.07031	9.7
131.08607	2.2
133.06512	1.6
133.10141	5.7
133.97476	0.9
135.08046	0.8
143.08557	4.3
145.10114	9.0
147.04451	3.1
147.08058	2.8
147.11691	58.1
148.12050	1.0
149.02446	0.9
149.09637	1.4
151.03914	1.2
151.07555	1.8
156.09416	1.0
161.09647	3.7
161.13257	7.2
165.09126	0.7
171.11693	18.5
174.10464	0.7
175.03908	3.1
179.03410	2.0
179.07034	0.6
189.05437	0.8
189.12747	11.1
192.09441	0.8
192.70660	0.7
207.02925	1.4
207.06483	3.8
207.09944	0.9
207.13802	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	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02391	1.1
53.03952	10.1
53.21774	0.9
55.01873	1.6
55.05519	6.8
65.03954	1.0
67.05508	24.3
69.07063	6.7
70.56445	2.9
71.04997	2.7
72.48381	0.9
76.05544	1.1
76.23882	1.0
77.03927	2.2
79.05498	47.4
81.07062	19.4
83.04993	2.1
83.08610	2.1
85.06549	1.6
86.96986	1.0
91.05490	52.4
93.07050	100.0
94.07408	1.5
94.96799	0.8
95.04964	11.1
95.08614	8.1
97.06551	2.9
97.10195	1.7
103.05448	1.3
105.04534	4.2
105.07037	28.2
107.08598	9.3
109.06541	5.3
117.07037	5.5
119.08590	17.3
121.06551	1.3
121.10148	2.5
123.08057	5.7
129.07005	9.9
131.08563	2.4
133.10126	5.3
143.08572	6.4
145.10118	8.7
147.08124	2.6
147.11697	53.5
148.12021	1.0
153.87553	1.0
156.09396	1.4
161.09598	2.7
161.13255	9.5
171.11702	20.2
189.12779	11.2
207.06459	1.5
207.13835	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02380	2.4
52.61642	1.4
53.03936	4.2
55.01863	3.7
55.05503	9.8
57.07066	3.3
59.04999	3.6
65.03929	5.5
65.76172	1.7
67.05507	14.2
68.99780	1.7
69.03429	13.8
69.07073	8.3
69.30698	14.8
71.04980	5.0
77.03923	6.7
79.05495	15.3
81.03427	2.6
81.07055	16.4
83.04965	6.4
85.02915	9.8
85.06534	6.1
89.03893	4.7
91.05489	58.1
93.07045	20.3
95.04970	9.5
95.08623	16.1
97.06536	2.8
99.04450	2.5
103.05469	3.9
105.03426	11.1
105.04531	1.9
105.07037	63.9
107.04969	10.8
107.08612	23.2
109.02863	2.6
109.06516	22.4
109.10159	7.0
115.05434	4.6
116.06238	2.6
117.03353	2.4
117.07012	9.1
118.04197	3.5
119.04955	31.1
119.08586	77.5
121.06499	10.3
121.10157	25.9
123.04453	9.6
123.08073	21.7
123.11720	8.6
128.06204	8.4
129.06999	9.0
130.07779	4.6
131.04932	7.0
131.08583	16.4
132.02115	2.6
133.02859	15.9
133.06505	12.9
133.10139	21.7
135.04366	1.8
135.08043	4.3
135.11682	3.4
137.09624	10.4
137.13248	2.4
141.06966	4.5
143.08571	9.7
145.06506	3.4
145.10153	18.7
146.03632	3.2
146.07272	7.2
146.10915	2.4
147.04425	22.9
147.06332	4.4
147.08041	16.9
147.11702	62.4
148.05170	3.4
149.02380	2.6
149.09633	58.0
151.03922	38.7
151.07556	14.9
156.09367	15.4
159.08087	5.6
159.11687	3.4
160.08920	2.8
161.02370	2.9
161.05992	82.5
161.09624	28.5
161.13268	54.2
163.03882	4.4
163.07529	5.9
163.11186	18.7
164.04718	3.0
165.05371	1.7
165.09132	2.6
165.12738	11.9
171.11710	9.6
174.03160	1.8
174.06705	1.8
174.10402	12.1
175.03902	25.9
179.03407	94.2
179.06938	5.3
179.14391	2.0
180.03815	2.9
189.09171	18.1
189.12750	65.4
190.05019	2.0
192.04189	4.6
207.00920	2.9
207.02905	70.9
207.06473	16.1
207.10123	5.3
207.13806	100.0
208.03427	1.6
208.14102	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1018
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
51.02383	0.7
53.03956	0.9
54.09813	0.3
55.01884	1.2
55.05515	2.1
57.03451	0.6
57.07087	0.7
59.05011	0.7
65.03941	2.8
67.05507	4.5
69.03436	5.6
69.07067	2.5
70.19226	0.3
70.83763	0.8
71.05004	1.3
77.03954	1.1
79.05492	4.7
81.03431	1.8
81.07064	3.8
83.04990	2.8
83.08614	0.7
83.67947	0.3
85.02926	1.1
85.06565	0.8
89.03922	1.7
90.04715	0.7
90.28986	0.3
91.05485	33.9
93.03437	0.4
93.07055	5.1
95.04978	3.8
95.08611	5.5
97.02885	0.5
97.06551	1.2
97.10159	0.3
98.97610	0.3
99.04488	0.6
103.05468	2.4
105.03400	1.9
105.04521	0.4
105.07036	14.9
106.04211	0.4
107.04961	3.3
107.08604	5.8
109.02946	0.5
109.06517	5.0
109.10178	2.1
110.07277	0.6
111.08086	1.2
115.05482	1.3
115.96499	0.3
116.06255	1.2
117.07029	1.8
118.04163	4.4
118.07769	0.4
119.04949	22.4
119.08587	9.9
120.05302	0.4
121.02873	0.4
121.06506	4.9
121.10151	6.1
123.04426	4.3
123.08073	5.5
123.11714	1.6
125.09642	0.4
128.06223	2.7
129.03418	0.7
129.04465	0.4
129.07008	6.8
130.07796	1.0
131.04933	6.5
131.08572	4.0
132.02077	1.6
132.05717	0.8
133.02856	1.2
133.06490	3.4
133.10146	8.0
135.04413	0.8
135.08080	1.6
135.11676	0.8
136.05211	0.8
137.05991	1.7
137.09628	2.8
137.13217	0.4
139.11188	0.4
143.08583	2.1
144.05711	0.8
145.06467	1.6
145.10124	2.4
146.03647	3.6
146.07278	6.6
147.04424	15.8
147.08076	3.2
147.11682	6.3
148.05214	4.8
149.02370	2.2
149.09628	21.4
149.13347	0.5
151.03874	1.6
151.07544	3.0
155.06006	0.6
156.09351	2.5
157.03983	2.2
157.06482	1.6
158.07272	0.3
159.04427	0.5
159.08069	0.9
159.11690	0.9
160.08908	0.8
161.05989	100.0
161.09615	25.3
161.13231	5.1
162.06454	0.5
163.03920	0.5
163.07561	2.2
163.11192	2.5
164.04691	1.7
165.09073	1.9
165.12769	2.2
171.08098	0.7
171.11707	2.6
174.03180	0.9
174.06737	3.8
174.10353	0.9
175.03917	17.5
177.01747	0.5
177.12769	0.4
179.03456	2.7
179.07019	3.0
179.14340	0.8
189.09114	32.4
189.12743	8.4
189.16379	1.1
190.09494	0.6
192.04198	2.7
207.02972	1.8
207.06506	8.8
207.10176	3.6
207.13799	20.6
207.17426	1.0
208.06021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0653
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
50.01595	0.4
51.02378	0.9
53.00303	0.3
53.03952	0.8
55.01885	0.7
55.05529	0.7
62.39520	0.4
63.02373	0.8
64.03159	0.6
65.03941	8.9
67.05505	1.2
69.03420	0.5
69.07069	0.4
70.59802	1.2
75.02377	0.5
76.03166	1.1
77.03938	2.9
79.05500	2.3
79.40778	0.4
80.06276	0.6
80.94977	0.7
81.03434	0.4
81.07061	0.8
83.04974	0.5
83.08625	0.6
89.03919	5.1
90.04704	1.7
91.05485	100.0
92.02623	0.4
92.05814	0.7
93.03408	0.9
93.07042	0.8
95.04987	1.5
95.08614	0.8
98.21453	0.4
103.05467	1.9
104.02609	1.4
105.03413	1.8
105.07043	2.8
107.04943	2.2
107.08600	1.0
108.05759	1.5
109.06506	1.0
115.05445	0.6
117.03377	1.6
117.06992	0.6
118.04157	2.5
119.04946	94.3
119.08578	2.4
120.05276	1.1
121.02876	1.5
121.06495	0.7
121.10149	1.0
121.97618	0.3
122.03654	0.8
123.04455	0.9
123.08064	1.1
129.03375	2.2
129.04478	1.4
131.04941	1.1
132.02063	9.3
132.59843	0.4
133.02850	1.8
133.06488	0.8
133.10165	1.0
134.03632	1.6
135.04433	3.8
136.05205	2.5
137.05969	1.3
137.09659	0.5
143.08539	0.6
145.02850	2.5
146.03612	1.5
147.04416	69.9
147.08081	1.4
147.11690	1.2
148.04945	0.6
149.02342	8.1
149.05995	0.5
149.07999	0.3
149.09595	1.2
150.03111	1.4
151.07541	0.8
152.74149	0.4
157.03979	10.0
160.01588	0.8
161.05983	1.0
161.09627	1.0
161.13295	0.7
162.03099	1.1
162.05504	0.5
163.03937	1.0
164.04692	3.3
165.05553	0.3
165.12811	0.4
165.96558	0.5
174.03119	1.0
175.03912	83.9
176.04340	1.1
178.08234	0.5
179.03430	0.7
179.07039	7.0
189.05495	0.6
189.09010	0.6
189.12766	0.9
192.04178	2.1
207.03290	0.7
207.06532	24.2
207.11983	0.8
207.13803	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0654
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02390	0.9
53.03948	1.4
55.01874	0.8
57.03423	0.7
63.02358	0.7
64.03160	0.8
65.03945	9.0
66.64602	0.6
67.05501	1.1
69.03431	1.5
69.07070	0.9
69.31929	0.6
70.35377	0.6
75.02357	0.6
76.03159	1.1
77.03922	1.7
79.05501	2.7
80.06268	1.2
81.03460	0.6
81.07068	1.2
83.04984	0.7
85.06524	0.6
89.03921	5.8
90.04707	1.7
91.05488	100.0
92.05809	0.9
93.03410	0.9
93.07058	1.0
95.05000	1.2
95.08611	2.0
95.32635	0.6
97.06530	0.7
101.03889	0.8
103.05473	2.7
104.02577	1.5
105.03410	1.6
105.07036	4.5
107.04958	2.6
107.08589	1.6
108.05750	1.1
109.06535	1.4
109.10174	0.9
115.32434	0.6
117.03390	1.8
117.06973	0.8
118.04183	4.3
119.04953	95.8
119.08575	2.5
120.05287	1.3
121.02893	1.7
121.06493	1.3
121.10139	1.5
123.08065	2.0
129.03348	2.2
129.04456	1.2
131.04941	1.4
132.01151	0.9
132.02084	8.8
133.02859	1.8
133.06496	0.9
133.10150	0.8
134.03636	0.8
135.04428	3.9
136.05205	2.6
137.05977	1.1
145.02876	2.1
146.03632	2.3
147.04425	73.1
147.11673	1.9
148.04761	1.1
148.73732	0.6
149.02351	8.7
149.09608	2.2
150.03091	1.3
151.07570	1.3
156.09361	0.9
157.03986	8.5
161.06000	8.3
161.09618	2.2
161.13261	1.2
162.03127	1.2
163.03893	1.3
163.11194	0.8
164.04730	4.0
165.05460	0.9
171.11711	0.7
174.03117	1.7
175.03926	86.9
176.04308	1.0
177.01758	1.4
179.07027	8.3
179.65588	0.6
189.09074	1.5
189.12735	2.1
192.04175	7.6
194.57072	0.6
205.13162	0.6
207.06548	31.7
207.13780	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	207.0653
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
50.01606	0.6
51.02366	1.1
53.03950	2.0
55.01878	0.8
56.21608	0.5
59.77664	0.5
63.02390	0.8
64.03163	0.8
64.58556	0.6
65.03941	8.3
67.05508	2.7
69.03424	1.1
69.07076	1.2
70.75841	1.2
70.76194	0.8
71.05025	0.8
76.03159	1.5
77.03947	2.7
79.05508	4.5
80.06281	1.4
81.03465	0.7
81.07071	2.3
83.04993	1.1
89.03928	4.9
90.04710	1.8
91.05486	100.0
92.05827	1.2
93.03427	0.8
93.07056	7.2
95.04984	2.6
95.08615	1.8
103.05489	3.2
104.02615	0.9
105.03391	1.5
105.04539	1.0
105.07037	3.7
107.04977	2.0
107.08603	2.4
108.05748	1.8
109.06554	0.6
109.10150	0.8
115.96465	0.7
117.03387	1.0
118.04173	4.4
119.04950	85.3
119.08599	2.9
120.05279	1.5
121.02886	1.9
121.06542	1.0
123.04471	0.8
123.08106	1.1
129.03389	2.5
129.04431	1.1
131.04953	0.8
132.01137	1.0
132.02086	9.4
133.02859	1.4
133.06454	1.1
133.10150	2.3
134.03673	1.1
135.04413	3.9
136.05188	3.5
137.06003	0.8
143.08575	0.8
145.02861	2.8
145.10127	1.5
146.03658	2.0
146.82268	0.6
147.04420	66.0
147.11699	6.0
148.04790	0.9
149.02353	7.9
149.09628	1.1
150.03168	0.8
151.03954	0.6
151.07564	1.0
157.03996	8.7
161.06027	1.3
161.09599	0.9
161.13245	1.4
162.03081	0.7
163.03954	1.7
163.11176	0.7
164.04688	5.4
171.11694	1.7
174.03131	1.5
175.03918	74.7
176.04362	1.0
179.03395	2.0
179.07045	7.2
189.12750	2.2
192.04207	5.3
207.06532	26.5
207.12000	0.8
207.13811	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	207.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
53.03958	1.7
55.01860	0.5
55.05488	1.1
55.35783	0.4
56.14174	0.3
59.04985	0.4
63.62006	0.3
65.03948	1.9
67.05504	3.2
68.99765	0.4
69.03443	1.8
69.04474	0.3
69.07044	1.4
69.40446	2.9
71.04971	0.7
77.03923	4.1
79.05497	2.8
80.06274	0.3
81.03384	0.9
81.07069	2.5
83.04966	1.3
83.08614	0.4
84.08057	0.4
89.03928	2.4
91.05484	22.6
93.03405	0.4
93.07047	4.1
95.04975	4.3
95.08607	2.4
97.06541	0.5
98.20739	0.4
99.04459	0.4
103.05453	1.1
105.02729	0.6
105.03397	11.0
105.04453	0.7
105.07040	5.2
107.04956	0.8
107.08593	2.1
108.05698	0.6
109.02880	0.4
109.06510	1.4
109.10146	1.0
115.05421	0.7
115.96393	0.6
117.03367	1.5
117.07008	0.7
118.04158	1.2
119.04946	21.9
119.08582	4.4
121.02879	0.9
121.06516	1.8
121.10166	1.7
123.04439	8.4
123.08072	2.7
123.11671	0.5
129.03378	0.6
129.04543	0.5
131.08577	0.9
132.02037	1.9
133.02856	16.4
133.06499	2.6
133.10133	2.3
134.03065	0.4
135.04425	2.2
135.08058	0.5
136.05226	1.2
137.05960	0.5
137.09596	1.0
143.04922	0.6
143.08586	0.5
145.02881	0.7
145.04013	0.4
145.10089	0.7
146.03595	0.9
147.04422	16.1
147.08061	1.3
147.11690	4.9
149.02336	4.4
149.09636	3.4
151.03911	40.0
151.07480	3.2
152.04337	0.5
155.03357	0.4
157.03992	1.9
159.11751	0.5
161.02357	1.5
161.05997	4.6
161.09645	1.3
161.13252	1.9
163.03946	1.2
163.11179	0.7
164.04701	4.2
165.05501	0.4
165.09085	0.5
165.12746	0.5
171.11708	0.8
174.03123	1.1
175.03917	17.1
177.05461	0.4
177.12495	0.3
179.03401	100.0
180.03694	1.2
189.05397	2.3
189.09138	0.7
189.12755	1.5
191.03394	0.9
192.04149	3.5
192.09283	0.7
207.02905	24.6
207.06487	15.7
207.08418	0.7
207.09912	0.8
207.11839	0.8
207.13797	4.8
207.17311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0288
Annotation	Flaviolin
Peak:m/z	Relative Intensity
51.02386	0.6
53.03958	0.9
55.01873	0.5
55.05512	0.3
65.03939	0.5
67.05506	1.5
69.03428	0.5
69.07071	0.4
73.92982	0.1
77.03931	3.8
79.05493	0.8
81.07059	0.5
83.04980	0.3
85.06522	0.2
89.03918	1.4
91.05481	2.2
93.07059	0.5
95.04978	3.0
95.08611	0.4
103.05416	0.2
103.66680	0.2
105.03395	9.8
105.04539	0.5
105.07028	1.9
107.04929	0.5
107.08593	0.9
109.06532	0.4
109.10165	0.3
115.05451	0.4
117.03415	0.9
118.04130	0.2
119.04948	2.1
119.08634	0.8
121.02856	0.2
121.06471	0.3
121.10178	0.3
123.04434	6.8
123.05336	0.3
123.08057	0.6
129.06940	0.2
131.08585	0.2
133.02859	15.3
133.06496	0.7
133.10149	0.5
135.04416	1.3
135.08080	0.2
137.02298	0.3
137.05959	0.2
137.09636	0.2
143.04909	0.3
146.03616	0.2
147.04442	1.4
147.07993	0.3
147.11684	0.8
149.02347	0.4
149.09615	0.6
151.03911	40.5
152.04239	0.4
161.02373	1.3
161.05983	4.0
161.09604	0.6
161.13266	0.6
162.33464	0.2
163.11223	0.3
164.04712	0.3
165.01804	0.2
175.03917	1.5
177.12810	0.2
179.03400	100.0
180.03746	1.3
189.05475	0.7
189.09103	0.4
189.12733	0.7
192.04218	0.5
207.02904	21.5
207.06265	2.3
207.13853	1.6
208.03285	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.029
Annotation	Flaviolin
Peak:m/z	Relative Intensity
50.10630	0.3
51.02383	0.4
51.15510	0.2
53.03951	0.9
53.52189	0.3
54.38440	0.2
55.01882	0.8
55.05506	0.7
65.03942	1.2
67.05509	2.2
68.01115	0.3
69.03089	0.2
69.03428	1.3
69.07084	0.5
69.87202	0.5
69.87593	0.6
71.04979	0.3
73.09669	0.2
77.03931	3.4
79.05492	1.7
81.03427	0.7
81.07060	0.9
83.04968	0.4
85.02911	0.4
89.03918	1.5
91.05488	7.3
93.07043	1.7
95.04977	4.0
95.08625	1.9
97.06522	0.3
103.05499	0.7
104.74638	0.3
105.03401	10.3
105.04547	0.7
105.07035	3.4
107.04950	0.7
107.08562	1.2
107.24141	0.2
108.05758	0.3
109.06522	1.1
109.10182	0.5
115.05475	0.9
117.03381	0.9
117.07013	0.3
118.04160	0.6
119.04942	5.5
119.08593	2.4
121.02895	0.3
121.06519	0.7
121.10146	1.1
122.40739	0.3
123.03571	0.5
123.04440	7.4
123.08035	0.9
123.11670	0.5
128.06255	0.5
129.07002	0.5
130.48155	0.2
131.08585	0.6
132.02107	0.4
133.02863	16.8
133.06491	2.0
133.10152	1.0
135.04434	1.3
135.11696	0.4
136.05241	0.7
137.02306	0.4
137.05960	0.4
137.09578	0.5
139.04031	0.3
141.29019	0.2
143.04939	0.9
145.10167	0.5
146.03625	0.9
147.04417	4.6
147.08046	0.6
147.11690	2.4
149.02328	2.4
149.06046	0.3
149.09628	1.1
151.03914	40.7
151.07439	1.4
152.04153	0.4
157.03928	0.4
161.02339	1.5
161.05992	6.7
161.07271	0.5
161.09641	0.9
161.13252	1.2
163.03923	0.6
163.11191	0.5
164.04718	2.5
165.05458	0.4
165.12799	0.7
171.11719	0.3
174.03102	0.7
175.03903	3.6
177.05698	0.3
179.03404	100.0
180.03755	1.0
189.05450	2.3
189.09128	0.8
189.12755	1.0
192.04198	1.0
192.09364	0.4
207.02905	24.5
207.06488	9.3
207.09924	0.5
207.11856	0.5
207.13794	2.6
207.17456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.8
53.03939	1.0
55.01869	0.7
55.05503	0.5
57.07071	0.3
65.03938	1.0
67.05511	2.1
69.03425	0.8
69.07067	0.8
70.55040	0.4
70.55373	0.6
76.95589	0.2
77.03933	3.8
79.05488	1.3
81.03410	0.3
81.07074	1.5
83.04993	0.5
83.30272	0.2
85.02883	0.5
85.06556	0.3
88.36171	0.2
89.03918	1.8
89.04395	0.3
90.04736	0.3
91.05484	6.4
93.07066	1.5
95.04971	3.8
95.08601	1.0
103.05433	0.4
105.03399	9.9
105.04524	0.6
105.06384	0.3
105.07034	2.7
107.04933	0.7
107.07932	0.2
107.08549	1.3
109.06523	0.8
109.10146	0.8
111.08117	0.4
115.05424	0.7
115.96398	0.3
117.03377	1.0
117.07019	0.3
118.04156	0.8
119.04948	4.6
119.08577	2.1
121.06506	0.5
121.10170	1.0
123.04437	6.4
123.08061	1.1
123.11711	0.4
129.06969	0.3
133.02861	16.0
133.06497	0.9
133.10130	1.1
135.04407	1.3
135.08118	0.3
136.05199	0.8
137.02229	0.3
137.09622	0.4
143.04932	0.6
143.08556	0.5
145.03949	0.3
145.10144	0.7
146.03604	0.4
147.04419	3.5
147.08047	0.7
147.11699	2.0
149.02344	1.4
149.09648	1.2
151.03914	40.5
151.07542	1.0
152.04311	0.4
156.09349	0.4
161.02321	1.5
161.06015	2.6
161.09599	1.0
161.13300	0.7
163.03970	0.5
164.04697	1.1
165.09154	0.2
165.12605	0.4
171.11717	0.4
174.03160	0.3
175.03905	3.5
179.03403	100.0
180.03714	1.2
189.05458	1.2
189.09055	0.6
189.12752	0.7
192.04195	1.1
207.02908	21.4
207.06433	5.0
207.08331	0.5
207.13774	2.5
207.17383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.029
Annotation	Flaviolin
Peak:m/z	Relative Intensity
51.02385	0.8
53.03943	0.7
55.01879	0.4
55.05507	0.4
62.16148	0.3
65.03957	0.5
67.05515	1.5
69.03429	0.5
69.18084	3.1
77.03934	3.8
79.05499	0.8
81.07047	0.7
83.04974	0.3
89.03927	1.3
91.05502	2.5
93.07038	0.5
95.04979	3.1
95.08614	0.6
105.03397	10.7
105.04485	0.5
105.07028	2.0
107.04989	0.4
107.08608	0.5
109.06548	0.5
109.10142	0.4
115.05470	0.9
117.03384	0.8
119.04948	1.5
119.08583	1.3
121.06546	0.4
121.10141	0.7
123.04443	7.1
123.11676	0.4
129.49921	0.3
133.02863	15.7
133.06499	0.8
133.10114	0.6
135.04410	1.2
135.85443	0.3
137.02354	0.4
137.09636	0.5
143.04938	0.8
145.03967	0.4
147.04434	1.5
147.08035	0.4
147.11641	1.5
149.02292	0.7
149.09599	0.8
151.03915	38.4
151.07565	1.0
161.02361	1.5
161.05989	4.0
161.09642	0.9
161.13344	0.5
164.04768	0.7
174.26059	0.3
175.03925	1.1
179.03406	100.0
180.03741	0.7
189.05475	1.7
189.09128	0.6
189.12737	0.7
192.04213	0.4
207.02907	23.7
207.06425	3.3
207.13803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1176
Annotation	Bellendine
Peak:m/z	Relative Intensity
53.03941	1.0
55.01858	0.7
55.05506	1.0
56.05037	3.5
56.96567	0.9
57.03439	8.2
58.06601	4.8
59.04987	1.5
60.04525	1.4
61.02940	0.7
67.05490	0.7
68.05033	2.1
69.03436	3.8
70.06587	1.5
70.58067	0.9
71.01352	1.1
71.04997	3.0
72.04487	0.6
72.08171	0.6
73.02911	1.8
75.04449	0.6
75.53787	0.4
76.07642	1.1
79.05534	0.5
80.05007	1.3
81.03416	5.5
81.07043	0.6
81.99046	0.5
82.06598	2.5
82.06999	0.5
83.04994	0.7
84.04507	16.6
84.08141	5.3
85.02907	6.1
86.03695	5.1
86.06078	1.0
87.04459	1.8
89.06014	0.5
90.05621	0.4
91.05490	0.8
95.03489	0.5
96.08130	15.8
97.02920	0.5
98.97575	0.9
99.04460	2.0
100.00092	1.1
100.02684	0.6
100.05234	3.7
101.00915	2.4
102.02375	0.5
102.05536	1.2
103.05467	0.5
105.01959	0.5
105.06995	0.5
109.02835	3.1
110.06030	1.0
111.04419	0.7
111.95492	0.4
113.00864	1.4
114.05502	0.8
115.02410	0.9
115.05432	0.7
117.07038	0.5
118.01130	0.7
119.01915	1.7
119.04937	0.5
121.06443	0.6
121.53326	0.5
122.06046	1.0
124.07594	9.9
127.02390	0.5
127.04011	0.8
128.06224	1.4
128.07072	0.8
131.01904	1.4
131.08594	0.9
132.06563	0.9
134.06033	0.7
136.03726	0.7
136.04726	0.8
137.05992	0.6
141.05411	0.5
142.01099	1.1
142.08633	11.2
142.10490	0.5
143.08562	3.9
145.03500	0.9
146.04977	0.9
146.08109	1.1
147.04083	1.0
148.05197	1.5
149.04652	0.7
150.09178	0.5
151.04259	0.6
152.04993	0.5
152.07141	0.8
153.05801	0.9
155.05609	0.6
156.02710	1.2
157.03453	1.8
158.03621	0.4
158.04924	0.6
159.05019	0.7
159.06873	1.0
159.08041	1.8
160.02205	0.6
160.05179	2.7
160.07574	1.1
160.09715	11.7
160.11191	2.3
160.13303	0.7
161.02960	1.0
161.06017	3.8
162.05443	4.6
163.06291	1.0
163.07547	0.6
164.07085	6.7
167.01978	0.5
167.05602	0.5
169.03540	0.6
170.08122	10.7
171.08029	3.1
172.04727	0.8
174.03615	0.5
174.06758	0.6
174.79025	0.4
175.04546	0.8
176.07137	2.7
177.07854	50.6
178.04967	5.4
178.08429	1.3
178.12335	0.5
179.05472	0.8
184.02173	0.8
185.02966	1.7
188.05936	0.7
188.09174	6.1
188.10767	3.4
189.09142	1.7
197.06631	1.0
199.04552	1.2
201.02588	0.5
203.04002	0.5
204.10233	0.6
206.04495	1.8
206.10223	9.9
206.11797	100.0
207.12080	2.2
221.05157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1024
Annotation	Casuarine
Peak:m/z	Relative Intensity
50.57179	1.2
53.03947	3.5
55.01876	5.6
55.05510	4.0
56.05041	14.8
56.96559	2.6
57.03441	26.1
57.82171	1.1
58.06600	21.7
59.04999	3.7
60.04529	11.8
61.02922	4.0
67.43462	1.5
68.02627	1.4
68.05033	11.4
69.03436	12.5
69.07059	3.0
69.57734	8.8
70.06593	4.4
71.01359	4.0
71.05003	20.3
72.04518	2.8
72.08155	3.5
73.02919	6.8
74.06077	1.8
75.04459	1.4
76.07638	2.2
79.05476	2.0
80.05018	8.4
81.03416	19.8
82.06592	8.9
83.04987	4.7
83.06924	1.2
84.04509	90.2
84.08136	6.3
85.02911	25.8
85.06561	1.9
86.03699	21.2
86.06076	3.6
87.04472	5.4
89.06021	1.5
89.28841	1.4
90.05570	6.2
91.05468	2.2
94.06540	1.9
95.03399	2.0
96.04502	1.4
96.08136	86.5
97.02898	1.5
98.06068	3.4
98.09733	1.4
98.21490	2.2
99.04453	6.0
100.00094	5.2
100.05241	9.5
100.07632	2.8
101.00882	6.1
101.06028	2.8
102.05553	6.3
106.06537	3.0
107.05053	1.4
109.02872	9.3
110.06045	11.4
111.04457	1.6
113.00878	1.8
113.05999	2.3
114.00970	1.5
114.05545	7.7
115.02470	2.6
116.07120	1.8
117.05521	2.8
118.01203	3.4
118.03692	1.4
119.01940	7.7
121.03140	1.4
122.06017	11.3
124.07595	57.2
126.05540	2.4
127.03950	2.4
128.06226	2.7
128.07095	6.2
130.08647	1.9
131.01888	7.2
131.03444	1.3
132.06586	2.3
133.03473	2.6
134.06033	5.9
136.04720	1.5
137.04538	3.3
138.03406	1.7
139.02394	2.2
139.04214	1.9
140.07054	4.2
142.01125	2.6
142.08638	72.1
142.12279	2.1
143.01906	2.8
143.08569	4.1
146.08138	9.1
147.04002	3.6
147.08495	1.6
147.54257	1.4
151.04265	2.5
152.05042	1.7
152.07089	5.9
153.05798	2.8
154.04805	1.6
155.05592	1.3
156.02689	4.2
157.03520	7.0
158.04948	1.6
159.08029	1.6
160.02144	1.6
160.05197	2.9
160.07652	2.8
160.09711	63.9
160.13341	8.9
161.02997	2.2
161.05974	4.2
162.05569	4.5
163.06236	1.4
164.07091	8.3
164.09142	2.4
167.01837	2.0
168.02635	1.4
169.03511	2.0
170.08136	69.0
171.08235	4.4
174.03729	1.7
175.04544	2.5
176.07074	3.3
177.07860	55.4
178.04991	14.9
178.08659	1.6
181.05260	2.5
184.02257	3.5
185.02975	5.5
188.06104	4.6
188.09196	39.0
188.10727	3.0
188.12799	1.6
190.05844	1.6
199.04506	3.5
206.04614	7.6
206.10216	76.8
206.11830	100.0
206.13992	4.9
216.95555	1.3
217.05670	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	206.0813
Annotation	5-Methoxyindoleacetate
Peak:m/z	Relative Intensity
51.02380	0.3
53.03936	0.3
56.88375	0.2
65.03933	0.2
67.05516	0.3
68.99802	0.6
69.49380	0.5
69.49788	1.0
70.02949	0.7
72.30194	0.2
75.03496	0.2
77.03934	0.3
79.05489	0.3
80.05029	0.2
81.03433	0.3
81.07069	0.2
87.00826	2.1
91.05489	4.9
93.07050	2.7
95.04945	0.3
103.05473	14.9
104.05040	0.2
105.07053	0.5
107.08602	0.4
108.04496	0.3
115.05475	0.2
117.05804	0.4
117.07019	0.2
118.06553	19.0
119.04940	1.8
119.08556	0.2
120.08114	100.0
121.06500	0.4
121.08451	1.1
121.10176	0.4
123.08097	0.4
128.04985	2.1
132.08043	0.2
142.06549	0.3
145.06488	0.2
146.06018	13.9
147.04399	1.2
147.11646	0.2
149.09637	3.1
150.02681	0.4
154.04945	1.5
160.07599	0.6
160.12154	0.2
161.05997	0.3
161.13289	0.3
174.05534	0.3
175.03918	1.6
178.05035	0.4
178.08673	0.5
188.07079	9.6
189.12787	0.6
206.05336	0.4
206.08131	5.7
206.11784	0.4
207.06502	0.4
207.13832	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
60.01091	0.2
61.02952	0.2
65.03930	0.4
65.55996	0.2
66.24325	0.3
68.99791	0.6
69.03419	0.4
70.02945	1.3
70.06593	0.4
70.85452	0.4
70.85799	0.5
77.03941	0.4
79.05505	0.4
80.05046	0.3
81.03423	0.4
85.02913	0.4
87.00848	2.4
91.05492	4.3
93.07063	2.9
95.04963	0.5
97.02872	0.3
103.05473	15.6
104.05851	0.3
105.07028	0.5
107.08572	0.4
107.18611	0.3
108.04520	0.4
109.06551	0.2
115.05437	0.3
117.05762	0.3
118.06551	18.4
119.04946	1.7
119.07345	0.3
119.08589	0.3
120.08112	100.0
121.06541	0.4
121.08463	0.8
123.08108	0.5
124.07633	0.2
128.04962	2.1
142.08592	0.3
146.06013	15.0
147.04453	1.6
147.06438	0.3
147.11761	0.3
149.02371	0.4
149.09621	2.2
150.02704	0.6
154.05013	2.2
160.07562	0.6
160.09683	0.3
161.06035	0.4
162.05463	0.3
174.05453	0.3
175.03947	1.8
178.04985	0.4
178.08662	0.9
188.07069	9.6
189.07434	0.4
189.12640	0.5
206.05338	0.5
206.08118	6.5
206.11819	0.7
207.06511	0.6
207.13860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0813
Annotation	Oxyhydrastinine
Peak:m/z	Relative Intensity
52.83229	0.4
53.03943	1.5
53.31358	0.4
54.03476	1.1
55.01877	0.8
55.05521	0.7
57.03443	1.9
65.03944	3.4
67.05507	25.7
68.05043	0.5
68.06306	0.5
69.07072	1.7
70.02950	1.1
71.50198	0.7
72.04538	0.5
77.03941	0.6
79.05492	6.4
79.05913	0.6
80.05016	1.0
81.03427	0.7
81.07059	3.4
82.02941	3.9
82.06590	1.2
84.04499	2.3
88.03997	5.2
91.05486	12.9
93.05801	1.6
93.07074	1.1
94.06574	1.9
95.04970	15.1
95.08638	0.6
96.04508	4.5
96.05761	1.0
96.08103	0.5
97.02898	0.6
103.05467	0.7
105.07025	4.4
106.06582	1.2
107.04957	2.4
107.07336	5.3
107.08567	1.1
108.04469	0.7
108.08121	20.1
109.06519	0.7
110.02444	0.6
110.06046	8.2
115.05489	1.0
117.05790	1.2
117.07008	0.7
118.04200	0.7
118.06578	2.3
119.04946	9.3
119.08585	0.6
120.08134	1.3
121.06487	0.7
121.08871	0.6
122.06045	1.5
122.09672	6.9
123.04435	0.6
123.08056	0.6
124.07659	0.6
125.06053	0.6
128.06236	1.1
132.02072	0.9
132.08110	1.5
133.06512	4.7
133.10173	0.8
134.06032	1.4
135.04422	1.4
135.06804	2.3
136.07538	0.7
142.74550	0.6
145.02791	0.5
145.06514	0.5
146.06021	3.8
147.04425	6.3
148.07570	0.8
149.02385	1.2
149.06001	0.6
150.02734	0.8
150.09148	35.8
151.09604	0.5
153.05482	1.4
154.05023	1.5
157.03995	1.1
160.07571	0.9
161.05956	1.7
161.09644	1.1
163.06329	0.5
164.07014	0.5
175.03899	6.7
177.09117	5.0
178.08638	100.0
179.07092	0.8
179.08928	1.0
188.07028	0.8
189.09106	12.0
192.04195	2.0
195.65833	0.4
206.08127	68.0
206.11723	1.6
206.15372	1.5
207.06534	3.6
207.08427	1.0
229.58911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40601	0.4
53.03947	0.6
55.01860	1.3
55.05502	1.1
56.05027	2.5
56.96564	1.5
57.03443	12.0
58.06601	3.9
58.99867	0.4
59.04995	1.2
60.04530	1.3
61.02922	1.5
67.05502	0.5
68.02653	0.4
68.05029	1.3
68.98275	0.4
69.03429	5.1
70.06598	1.9
70.15983	0.9
70.16364	0.9
71.01347	1.7
71.04996	5.8
73.02923	3.3
74.06071	0.4
75.04469	0.6
76.07649	0.5
80.05021	2.0
81.03428	7.1
81.99043	0.7
82.06595	2.3
83.04997	0.7
84.04507	14.7
84.08150	4.9
85.02907	7.5
86.03690	9.3
86.06043	0.5
87.04471	2.6
89.06040	0.5
91.05477	0.8
94.02679	0.6
95.04959	0.4
96.04486	0.6
96.08138	12.5
97.02864	0.6
97.99144	0.4
98.06039	0.4
98.97594	0.8
99.04449	2.9
99.05021	0.4
100.00105	2.2
100.02650	0.7
100.05244	5.3
100.07614	0.5
101.00878	4.0
102.01008	0.6
102.05575	0.4
105.33029	0.4
108.02420	0.4
109.02877	4.4
110.01234	0.5
110.06047	1.7
110.85233	0.4
110.97584	0.5
111.04444	0.9
112.07576	0.4
113.00895	2.3
113.05980	0.7
114.01642	0.6
114.04269	0.5
114.05550	1.3
115.02427	1.5
115.05430	0.7
118.01086	2.0
119.01928	3.2
119.04929	0.4
119.11378	0.4
121.01607	0.8
121.03157	0.7
121.06501	0.6
122.06013	1.4
124.07589	8.7
127.02386	0.9
127.04073	1.7
128.03963	0.6
128.06233	1.7
128.07100	0.8
129.02983	0.6
129.05432	0.7
130.05019	0.5
130.08650	0.7
131.01924	1.9
131.04921	0.6
131.07468	0.4
131.08586	1.5
132.02753	0.6
133.03430	1.3
133.06503	0.5
134.03735	0.5
134.06035	0.7
135.04741	0.4
136.03789	0.5
136.04758	0.8
137.02965	0.5
137.04507	0.9
137.06006	0.9
139.02417	0.8
139.04131	0.4
140.07056	0.5
141.05432	0.8
142.01111	1.8
142.03549	0.7
142.08649	9.9
143.00201	0.5
143.01903	1.3
143.04530	0.4
143.08554	4.3
144.02695	0.5
144.05318	0.4
145.03435	1.6
146.04999	2.0
146.06035	0.7
146.08128	1.6
147.03912	0.8
148.05202	1.9
149.04651	0.8
151.04225	0.6
152.05028	0.9
152.07123	1.1
153.03915	0.6
153.05788	1.4
154.04803	0.6
155.00186	0.6
155.01823	0.7
155.05594	1.3
155.55638	0.5
156.02628	0.9
157.03502	3.0
159.05028	1.0
159.08078	1.7
160.02156	0.4
160.05215	2.8
160.07588	0.5
160.09706	8.9
160.11211	2.3
160.13353	0.9
161.02960	1.7
161.06017	3.5
162.04317	0.7
162.05460	4.2
163.04260	0.6
163.06294	0.8
163.07573	0.6
164.07094	6.9
166.01254	0.5
167.01917	1.0
167.05521	0.5
168.02605	1.2
169.03439	1.0
170.08133	9.3
171.05066	0.7
171.08064	3.1
172.04703	0.9
173.02969	0.7
174.03760	1.1
174.06808	0.6
174.11188	0.5
175.04576	0.9
176.07045	3.1
177.07855	48.7
178.05026	5.0
178.08502	0.7
179.05499	0.5
181.03563	0.7
181.05296	1.2
181.55406	0.5
182.99648	0.6
183.05019	0.5
183.97729	0.4
184.02184	1.1
185.03014	2.1
188.06046	1.5
188.09190	6.6
188.10751	4.1
189.09161	2.6
190.08734	0.7
197.02974	0.7
197.06715	1.9
199.04573	1.9
200.05331	0.6
201.00739	1.3
201.02461	0.9
203.04195	0.6
204.10115	0.6
206.04517	2.0
206.10236	9.0
206.11803	100.0
207.12120	1.5
217.05560	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.045
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
53.37123	0.3
58.33423	0.2
65.98726	0.2
69.54324	0.3
69.90792	1.0
84.04492	0.4
95.04936	0.3
97.02899	0.3
98.71750	0.2
104.04989	0.4
105.03384	1.2
112.64853	0.3
118.10815	0.2
128.76619	0.2
132.04445	3.9
133.02869	0.4
135.29926	0.2
150.05490	1.2
160.03943	2.6
161.05998	0.3
164.07155	0.3
176.07098	0.3
177.07841	2.5
178.04997	100.0
179.05351	1.0
180.05321	0.4
188.10750	0.4
201.00682	0.3
206.04495	38.9
206.11771	6.7
207.04768	0.5
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	Unknow
Peak:m/z	Relative Intensity
69.90115	2.6
73.84191	0.5
74.02457	1.2
91.05490	1.9
115.05460	2.5
117.05781	2.2
117.07028	3.6
118.06548	48.3
119.06908	0.6
124.32835	0.5
130.06537	2.7
132.08099	11.3
135.24846	0.5
142.06541	5.6
143.07324	6.4
144.04468	0.9
144.08093	20.5
145.08548	0.5
146.06017	100.0
147.06325	1.0
149.02318	0.5
155.06001	0.9
159.09187	10.9
160.07547	1.9
170.06018	8.8
188.07076	82.6
189.07420	1.0
205.09775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03936	3.3
55.01866	3.2
55.05518	4.9
56.96565	1.0
57.03438	1.1
57.07059	2.8
59.04990	1.1
64.67598	1.1
65.03948	2.5
66.95326	0.9
67.05511	18.3
69.03439	4.8
69.06797	0.8
69.07081	8.8
70.90035	1.1
70.90405	2.3
71.04993	1.8
73.02928	1.1
77.39802	0.9
79.05491	9.8
81.03410	1.7
81.07067	9.7
83.04990	6.7
83.08624	1.0
85.02890	1.8
85.06489	1.0
88.76938	1.0
91.05482	25.6
93.03409	1.1
93.07051	24.1
95.01333	12.9
95.04973	24.6
95.08605	4.4
97.02884	2.1
97.06522	1.7
103.05460	4.0
105.07033	37.2
107.04963	5.3
107.08582	10.1
109.02856	2.3
109.06541	4.7
109.10149	3.0
111.04476	1.6
115.05463	4.4
116.06258	1.0
117.07025	20.5
118.06582	1.6
119.04987	1.2
119.06044	1.2
119.08586	38.5
120.09343	2.5
121.02876	2.4
121.06513	17.4
121.10147	8.4
123.04438	15.5
123.08095	2.0
124.05176	1.1
125.05991	1.4
128.06226	2.0
129.07011	10.3
130.07796	6.3
131.04919	3.3
131.08571	26.7
133.06525	2.5
133.10121	6.2
135.04414	2.0
135.08044	7.3
135.11702	1.8
137.05991	6.8
137.09641	1.5
141.06961	2.2
142.07770	1.1
143.08588	3.1
144.08177	2.4
144.09341	15.4
145.06499	14.6
145.10133	24.4
146.06047	4.8
147.08058	3.7
149.02348	13.4
149.04788	2.0
149.05989	41.5
149.09731	1.4
157.06522	1.7
157.10089	5.0
158.07262	4.3
159.08112	7.4
159.11697	100.0
160.12144	1.2
161.09647	2.1
161.13264	4.8
163.07545	8.0
163.11206	3.8
169.10172	3.8
172.08862	7.8
177.05469	1.7
177.12773	8.0
187.11191	16.5
188.07047	3.0
205.08498	2.1
205.12254	36.7
205.14172	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	204.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72349	0.7
53.03947	1.6
55.01897	0.6
55.05506	0.9
56.05028	3.2
57.80388	0.9
58.50529	0.7
60.04536	6.4
61.02934	8.0
68.05042	2.5
69.03430	3.3
70.06599	1.1
71.15433	1.3
72.04535	1.2
80.05028	2.5
81.03440	4.4
83.01340	1.5
83.04955	1.2
84.04514	100.0
85.04819	0.9
96.03904	1.4
96.04507	20.2
97.02905	7.0
98.06071	11.6
99.04468	2.4
100.06210	0.8
108.04522	1.1
109.02892	5.5
114.05537	2.4
124.03993	1.0
126.05530	72.1
127.03907	2.7
138.05516	81.4
139.05914	0.8
144.06577	22.5
149.02373	1.7
161.32364	0.8
168.06610	8.9
181.98145	0.8
186.07643	2.5
189.11566	0.8
204.08653	5.9
204.10251	0.8
204.13882	5.7
222.21046	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83887	0.8
53.03944	1.4
56.05028	3.2
57.03432	0.8
60.04526	5.0
61.02932	6.8
61.49338	0.8
63.35487	0.9
68.05025	1.6
69.03415	3.7
70.06593	2.3
70.76669	2.0
71.04991	1.2
72.04523	1.4
80.05011	1.7
81.03428	5.6
83.01318	1.0
83.04958	0.9
83.57203	0.8
84.04511	100.0
85.02875	1.3
86.69430	0.8
96.04499	22.2
97.02898	8.9
98.06068	13.7
99.04433	1.8
102.07147	1.1
109.02881	6.3
114.05495	1.6
121.06565	1.0
121.14491	0.8
124.03999	1.2
126.05527	82.3
127.03940	1.9
138.05511	83.3
144.06573	19.7
149.02341	1.6
164.02995	0.9
168.06570	7.8
186.07671	2.7
189.11526	1.1
204.06721	1.0
204.08719	6.1
204.13818	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	205.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81086	0.7
59.45872	0.7
66.66512	0.7
71.27089	0.7
71.39867	1.3
74.02440	1.9
76.19090	0.7
91.05476	2.4
115.05473	3.2
117.05770	2.3
117.07013	3.8
118.06548	48.3
130.06534	3.7
132.08095	10.4
142.06540	4.7
143.07295	7.3
144.04425	1.1
144.08090	19.1
146.06015	100.0
147.06390	0.7
159.09193	9.6
160.07593	1.4
168.78165	0.7
170.06013	6.7
188.07074	84.5
189.07536	0.9
205.09802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0972
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
65.65699	0.7
71.39804	1.2
74.02442	1.4
91.05472	1.9
115.05448	3.8
115.98354	0.6
117.05772	1.5
117.07028	3.4
118.06553	51.2
124.61479	0.6
130.06549	3.8
132.08104	12.9
142.06540	5.3
143.07295	6.9
144.08087	22.3
146.06015	100.0
147.06339	1.3
159.09193	8.6
160.07591	1.8
170.05998	8.2
188.07077	85.0
189.07422	1.7
205.09790	1.2
216.30002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53854	2.2
67.37926	2.1
70.06264	2.3
70.06609	28.2
70.47531	5.0
70.47926	4.4
71.06114	7.7
72.08155	4.7
82.06592	8.5
84.08144	2.8
88.08775	10.4
101.00916	2.4
116.07112	12.4
119.01943	2.8
120.86851	2.2
158.12939	4.0
161.03003	4.9
175.99689	2.5
203.03397	5.0
203.05296	100.0
203.15118	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	203.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
53.97416	0.8
55.01875	1.3
55.05510	3.6
56.96568	9.5
57.03439	3.4
59.05018	1.4
60.04526	2.0
65.97555	0.9
67.05497	0.9
68.99827	0.9
69.03436	2.8
69.07079	1.0
70.06596	6.6
71.05001	25.4
71.50400	1.3
72.08163	1.8
73.02962	0.8
81.03421	5.6
81.07088	1.0
82.06585	1.8
83.05001	1.8
83.08624	1.5
84.04517	1.0
84.08143	2.4
84.96053	1.6
85.02902	2.9
85.06561	1.0
86.09709	9.4
87.00838	15.0
91.05517	1.0
95.08620	1.2
95.73405	1.0
96.04514	1.1
97.01136	0.9
97.02899	3.0
98.06059	1.2
98.97599	13.1
99.04464	100.0
100.07628	0.9
101.00880	1.3
105.01938	1.2
105.07069	1.2
109.02969	1.4
110.97575	1.8
112.11224	1.2
114.05547	1.3
115.05488	1.3
116.07114	2.0
116.98630	3.6
117.05521	1.7
119.01906	4.9
119.04987	1.2
120.96539	1.6
121.06525	2.2
124.99177	0.9
128.02344	1.3
129.13937	1.3
130.06552	14.0
130.08598	1.2
132.10194	5.4
134.99689	1.2
137.02928	1.1
139.03917	2.5
143.00175	1.0
143.01865	1.3
147.04425	3.9
147.08061	1.3
157.06392	1.1
157.07642	21.9
157.13316	1.2
158.99692	1.7
161.02951	2.4
175.03940	2.0
175.07727	1.2
177.00922	1.0
179.97810	1.1
185.07246	1.2
191.05844	2.6
193.99466	0.9
198.00180	1.1
203.03526	3.5
203.05318	1.6
203.08293	12.5
203.10330	1.4
203.10652	1.1
203.14961	1.3
213.00671	1.0
220.16777	1.0
221.04988	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69018	0.7
53.03959	1.2
55.01856	1.3
55.05507	0.8
56.05043	4.0
56.05301	0.7
58.63603	0.8
60.04319	0.6
60.04530	6.9
60.10213	0.7
61.02931	7.5
64.48306	0.7
68.05024	2.6
69.03432	4.1
69.22336	0.8
69.22631	8.0
70.06593	1.7
71.05012	0.9
72.04504	1.5
80.05025	2.4
80.23802	0.8
81.03412	3.6
83.01359	1.2
84.04510	100.0
85.02899	1.9
96.04498	22.8
97.02888	8.2
98.06075	9.4
98.21504	1.9
99.04449	1.5
101.02415	0.9
104.74406	0.9
108.04485	1.5
109.02909	4.7
110.06016	0.8
114.05543	3.3
120.02493	0.7
124.03965	1.9
126.05523	72.6
127.03934	0.9
138.05510	74.4
144.06561	20.6
149.02377	1.4
168.06564	7.4
186.07675	2.4
189.11502	1.5
202.95030	0.7
204.08685	5.8
204.10272	1.3
204.13797	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	200.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
56.96560	1.6
57.03424	0.7
69.03428	0.9
69.94105	0.6
69.94511	1.2
70.06596	13.0
71.04984	0.4
80.05013	1.0
82.06574	3.8
83.07342	0.4
84.04556	0.3
84.08173	0.4
94.06582	0.7
96.04505	0.4
96.08151	0.5
96.92331	0.3
97.02883	0.6
98.97590	8.9
100.07622	44.9
101.00877	0.5
108.04472	1.2
108.08145	0.5
108.28339	0.3
109.06465	0.4
110.06051	0.4
112.07645	0.6
116.98631	4.0
119.01895	1.1
122.06038	1.4
124.07520	0.4
126.05517	4.7
127.03903	0.4
128.07083	100.0
129.07426	0.5
134.99684	0.8
136.07558	0.9
137.06000	0.9
140.07124	2.0
153.01851	0.6
154.08626	1.9
154.12257	3.1
158.08153	0.5
164.07057	0.5
177.00769	0.4
177.02405	0.6
182.08150	1.5
183.08473	0.5
193.25420	0.4
200.04057	0.6
200.05806	0.4
200.09167	1.5
200.12778	3.6
201.12210	0.4
218.06926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	1.2
57.03444	0.8
58.13530	0.5
69.03422	0.9
69.07072	2.1
70.06617	0.9
71.08636	7.6
71.51131	0.8
71.52032	0.6
72.08174	0.7
81.07082	0.7
82.06576	1.1
84.04510	17.1
84.08148	0.9
84.45533	0.6
85.02913	28.4
86.09711	2.6
87.04475	1.4
88.11270	1.9
94.06564	0.7
95.01340	2.3
96.08144	1.4
98.97610	1.2
102.05547	13.6
112.03970	2.8
116.98669	1.0
121.84557	0.6
126.09128	0.8
130.05013	100.0
131.05389	0.8
138.09158	1.8
138.47838	0.7
140.07146	0.8
154.06583	0.8
154.08633	2.5
169.19797	0.6
172.09712	0.8
172.13306	1.0
182.11783	2.1
189.49538	0.5
200.07053	1.6
200.12834	92.9
201.13148	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1282
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
57.03425	0.7
58.44963	0.3
64.23177	0.4
69.03432	0.8
69.07050	1.3
69.51501	1.8
69.51908	0.7
70.06591	0.4
71.08636	5.7
80.74203	0.4
81.79295	0.4
84.04514	9.6
84.08118	0.4
85.02911	17.2
86.09696	1.1
86.64761	0.4
87.04446	1.0
88.10773	0.7
88.11274	8.2
95.01318	1.6
96.08114	0.5
98.06009	0.6
98.21667	0.4
98.97577	0.9
102.05544	7.4
112.03998	0.9
118.96799	0.4
122.22038	0.4
126.09121	0.6
130.05011	45.3
154.08618	1.2
172.09734	0.5
172.13388	2.8
173.78401	0.4
182.11800	0.8
200.12828	100.0
201.13091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	11.7
69.53021	9.1
70.06608	1.9
71.95256	2.8
98.97593	100.0
101.00896	3.8
116.98630	47.0
119.01921	3.2
131.01859	1.3
134.99670	9.7
136.93129	1.2
138.96425	2.6
139.96512	12.5
140.00186	2.2
140.92358	1.7
140.96210	2.0
142.03566	1.4
144.97809	1.4
156.97504	12.9
157.97572	63.4
158.93489	2.8
158.97214	10.9
174.98616	6.9
175.98627	38.9
176.94597	2.2
176.98222	6.4
177.00871	4.9
181.98853	2.2
199.98624	12.5
200.98351	2.2
217.99706	24.1
218.99417	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	200.092
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
53.03930	2.0
53.48417	1.2
56.77369	1.2
63.43200	1.2
67.05509	6.0
68.05013	1.7
69.03429	6.4
69.07064	7.2
70.06584	1.2
71.15241	1.8
74.81505	1.2
76.36385	1.0
79.05489	2.2
80.05010	4.0
81.07040	3.5
82.06574	1.7
83.40691	1.1
84.08143	2.9
91.05491	10.8
93.05783	5.4
93.07058	8.1
94.06573	27.8
95.04959	3.5
96.08094	1.1
97.02834	1.2
97.06498	1.5
98.97604	6.9
101.75262	1.3
108.04477	3.4
108.08131	32.6
109.06514	4.8
110.06052	17.7
111.08066	3.0
112.03948	5.0
112.07596	5.3
116.98616	2.6
118.06547	4.7
119.04917	1.9
120.08086	2.4
121.06509	5.4
122.06036	77.0
123.04440	3.5
123.06811	3.7
124.07621	3.3
126.09156	2.7
134.06012	2.9
136.07591	81.2
137.05989	5.0
138.09163	2.4
139.07547	5.3
140.07076	100.0
145.54056	1.1
154.05075	2.3
154.08641	62.6
155.07014	1.2
164.07089	13.7
165.05450	2.8
182.08141	62.2
182.09784	3.0
188.37852	1.2
190.34561	1.6
200.09184	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	198.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
60.08170	0.4
62.93391	0.3
64.11827	0.3
68.05028	0.5
70.06596	100.0
71.04691	0.5
71.05048	0.7
71.06938	0.7
82.06607	1.6
83.55588	0.3
95.06099	1.4
98.06070	1.0
101.00883	1.5
107.04974	0.5
110.04574	0.4
110.07188	1.9
111.04420	0.5
119.01941	1.7
120.02011	0.4
124.07674	0.4
127.56142	0.4
128.05588	1.5
135.04419	0.8
136.07623	0.6
138.09163	0.7
139.03897	1.0
146.06636	0.6
152.05695	0.8
152.07076	2.1
153.06583	0.5
156.05080	0.8
156.07762	0.4
164.07076	0.3
170.06644	16.5
174.06107	0.4
180.05095	0.9
180.10248	0.4
182.08119	1.1
188.07689	3.4
193.08034	0.4
198.06111	15.1
198.07494	0.9
198.11232	3.4
198.18555	1.6
216.07187	19.8
217.07359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.3
51.02377	0.8
52.55288	0.2
53.03717	0.3
53.03952	5.4
55.01850	1.3
55.05492	1.1
56.05827	0.3
57.03410	0.4
57.07061	0.6
57.93539	0.4
61.55797	0.3
62.90321	0.3
65.03957	3.8
67.05515	4.5
68.99780	0.6
69.03421	0.7
69.07054	1.1
71.04980	0.4
71.20272	0.6
72.04508	0.5
72.08125	0.5
72.93738	0.4
73.02914	0.3
73.06778	0.3
74.09720	3.5
77.03914	1.2
79.05505	2.3
81.03403	1.1
81.07042	1.0
83.04977	0.5
83.08604	1.0
85.02881	0.5
86.09707	1.5
91.05508	1.6
93.03387	1.2
93.07063	3.2
94.06595	0.4
95.04976	24.4
97.02898	2.4
97.06541	0.6
98.97592	0.5
100.07641	1.4
103.05453	0.4
105.04524	2.6
107.01283	0.3
107.04980	0.6
107.08574	0.4
108.02097	0.3
109.02856	0.3
109.06543	0.8
110.03676	2.0
111.04445	2.6
111.08109	0.5
116.97236	5.3
120.02078	0.7
121.02880	2.2
121.04005	0.7
121.06511	3.6
122.06026	0.5
123.04445	13.1
123.08064	0.8
123.96732	0.3
125.02366	13.9
125.06005	0.5
131.99559	1.3
134.95895	1.0
136.07597	0.7
137.02313	0.4
139.03923	1.1
139.07553	2.2
140.04695	100.0
141.05051	1.4
149.02449	0.5
149.06046	1.4
151.41718	0.3
152.96927	1.1
153.05513	0.6
153.09134	0.4
154.08640	0.4
155.07043	12.6
157.46127	0.3
157.97476	0.5
164.07091	0.5
166.02531	0.6
167.03438	1.6
167.07056	7.2
167.08459	0.5
171.11830	0.4
173.08125	1.0
175.98511	2.9
181.04982	5.2
182.08124	3.3
187.52980	0.4
199.04257	0.4
199.06105	0.8
199.11526	0.4
199.14650	0.4
199.18925	13.3
204.26241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1175
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
52.84023	1.4
55.01877	6.7
55.05518	25.2
59.04988	2.3
67.05492	6.0
69.03421	4.6
70.76526	5.1
70.95866	10.0
72.93798	4.8
79.05482	7.8
81.07062	22.8
85.47266	1.6
91.05495	18.8
93.07055	20.5
95.04966	6.4
95.08633	2.5
97.06547	11.9
99.04448	11.6
105.03403	2.8
105.07032	26.5
107.08603	47.8
109.06548	12.5
109.10160	5.3
111.98495	11.4
119.08597	6.8
121.06510	6.0
121.63161	1.7
123.04391	2.7
123.11694	2.6
125.06005	100.0
127.03925	31.2
129.99442	2.4
131.08582	2.6
132.95845	27.2
133.10136	55.8
135.11694	41.7
137.05995	82.7
137.09618	5.6
141.05615	1.6
143.08568	5.0
150.96918	13.0
151.03925	2.7
151.11194	6.8
155.97430	13.4
161.09624	30.4
171.83606	2.1
173.95419	1.7
173.98489	9.0
179.10690	77.6
197.11755	53.7
198.18599	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	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03937	1.8
55.01871	1.6
55.05499	4.2
57.07072	2.2
59.04989	2.4
65.03954	0.9
67.05501	6.3
69.03428	1.7
69.07054	2.6
70.95874	5.7
71.42889	1.0
72.93785	3.6
79.05502	6.6
81.07059	9.8
83.04959	2.0
83.08614	1.4
85.06534	1.4
88.35603	0.9
91.05477	23.6
93.07043	28.3
95.04966	8.7
95.08620	9.6
97.06534	1.6
102.64513	0.9
105.07034	34.5
106.43754	0.9
107.04906	1.4
107.08595	75.4
109.06528	6.7
109.10171	9.4
111.08062	3.0
111.98468	6.4
113.05988	1.0
115.05428	1.5
119.04938	3.5
119.06033	1.5
119.08578	10.2
121.06510	7.4
121.10128	2.8
122.84028	0.9
123.04428	4.3
123.08001	2.4
123.11694	4.1
125.06001	1.6
129.99538	1.8
131.08582	2.5
132.95825	13.5
133.06479	1.3
133.10132	76.9
134.10524	1.0
135.08087	1.9
135.11691	54.8
137.06003	5.2
137.09587	5.4
141.05399	1.5
141.06905	1.2
143.08534	1.9
150.96893	11.0
151.03914	3.6
151.07521	1.0
151.11206	6.3
154.06267	0.8
155.97440	7.9
161.09624	38.6
161.13213	1.9
163.46913	1.2
169.10202	1.4
173.98492	7.8
179.10672	100.0
179.14194	2.4
197.11729	74.0
197.15454	2.7
198.18518	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	197.1175
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
51.56721	1.0
53.03943	1.3
54.50013	1.1
55.01875	5.9
55.05512	8.6
67.05508	8.7
69.03414	3.0
69.05367	1.2
69.07057	4.6
70.95866	17.2
71.05000	2.1
71.40018	1.7
72.93799	10.2
78.91605	1.1
79.05501	12.8
81.07069	23.4
83.04973	2.9
85.33564	1.2
88.96898	1.3
90.61633	1.2
90.94823	1.5
91.05492	17.8
93.07050	21.0
94.50524	1.1
95.04967	4.2
95.08611	12.4
97.06530	5.0
99.04451	2.4
105.03389	1.7
105.07047	30.1
107.08604	100.0
109.06530	10.7
109.10176	7.0
111.04470	2.5
111.98489	17.2
119.04962	1.8
119.06032	1.7
119.08591	19.7
121.06498	2.7
121.09450	1.5
121.10156	15.7
121.25470	1.2
123.04399	2.1
123.08107	2.8
123.11696	2.6
125.06001	27.3
125.09612	2.2
127.03951	7.1
128.06261	1.7
129.99515	2.1
131.08542	2.5
132.95854	40.8
133.06516	2.4
133.10143	60.1
135.11684	4.1
137.05992	55.3
137.07845	1.6
137.09598	7.6
139.07484	1.9
143.08566	4.8
149.09641	9.0
150.96904	28.8
151.03883	3.3
151.07536	4.2
151.11194	17.0
153.12793	2.9
155.97443	20.8
161.09633	20.3
167.10689	21.8
168.91460	1.3
173.98515	23.1
174.13982	1.2
179.10690	43.9
179.14268	3.9
197.00575	1.5
197.09930	5.5
197.11723	55.0
197.15376	5.0
198.18532	9.5
206.12212	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
53.03949	1.0
53.78017	0.5
55.01871	9.1
55.05515	11.1
57.03428	0.8
67.05499	2.3
69.03416	2.4
69.07061	0.7
70.65402	1.8
70.68256	0.6
70.95865	9.7
71.05006	0.7
72.93786	5.5
77.91127	0.5
79.05505	6.0
81.03410	0.6
81.07058	27.2
83.04987	1.6
85.06555	0.8
88.96886	1.2
89.24818	0.5
90.94822	0.7
91.05476	3.9
93.07053	4.0
95.04977	2.0
95.08598	2.3
96.32777	0.6
97.06518	2.9
99.04456	5.6
101.48586	0.5
105.03394	1.3
105.07031	6.9
107.08599	6.5
109.06523	13.0
109.10162	4.1
111.04449	4.2
111.08060	0.9
111.98483	9.4
113.96390	1.5
119.08561	2.6
121.06512	1.7
123.04380	0.8
123.08076	1.2
123.11707	1.0
125.05997	40.9
127.03922	15.2
128.06264	1.6
129.99510	2.4
132.95844	21.6
133.10139	9.5
135.11703	1.7
137.05981	100.0
137.09595	6.1
138.06316	0.9
143.08604	3.1
146.07236	0.7
146.27072	0.6
150.96896	13.6
151.03915	2.0
151.07518	0.9
151.11192	2.6
155.97429	11.6
159.07950	0.6
161.09605	8.3
173.98500	11.4
179.10669	15.2
194.66991	0.5
197.00861	0.5
197.05949	1.1
197.11710	10.6
197.13371	0.8
198.18558	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	196.004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71004	0.6
54.93828	1.5
56.96555	3.3
68.05034	0.9
69.56364	1.4
69.56786	2.6
69.96181	18.7
71.91969	0.7
71.94103	6.3
72.08128	0.6
72.94881	0.7
98.21558	0.6
98.97580	1.4
100.02493	0.9
101.00887	1.2
110.98782	2.5
113.00881	0.8
113.95116	12.5
118.92072	1.4
119.01933	2.2
129.90964	0.6
131.01915	1.4
131.96156	100.0
132.05002	0.9
133.03445	0.7
136.92200	1.2
136.93126	4.5
141.95676	1.5
145.03488	2.0
147.05048	0.8
149.97208	56.2
154.93164	1.8
154.94261	5.9
154.97746	28.1
155.01926	1.5
156.05038	0.7
167.98264	1.6
168.05113	1.3
168.10158	1.3
172.94241	2.4
172.95303	2.5
172.98820	27.0
173.03011	5.8
173.06497	0.8
174.06099	1.9
191.04010	1.2
196.04613	2.0
196.09682	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.03200	0.5
53.03938	0.9
53.88668	0.3
55.01879	2.3
57.03437	0.3
63.35262	0.3
65.03933	1.8
65.27628	0.4
66.51505	0.3
67.05505	2.3
69.94199	1.5
70.95880	1.6
72.93786	0.9
73.02920	20.3
77.03923	0.4
81.07052	0.4
82.26089	0.3
91.05470	2.1
93.03399	0.9
93.07067	0.4
95.04977	1.1
101.62682	0.4
107.04905	0.4
107.56438	0.3
108.02087	2.2
110.03667	2.8
111.04443	1.4
111.98479	2.2
114.94842	0.4
117.03387	0.4
119.04966	1.6
123.04414	0.5
125.05997	15.1
129.99542	0.6
132.95836	5.2
133.10097	0.4
137.06009	1.1
141.05518	1.9
149.05991	2.7
150.96925	2.5
151.03914	100.0
151.05023	9.8
151.07431	3.4
152.04269	1.5
155.97406	3.2
173.98518	2.3
179.07037	17.0
179.10562	0.4
197.08127	5.3
198.18567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03945	5.8
53.49858	1.0
55.01865	4.9
55.05279	1.3
55.05514	22.7
57.03453	7.0
57.07072	4.2
57.63036	1.1
65.03947	2.7
67.05511	68.8
69.03417	2.8
69.07075	21.7
69.58408	8.0
70.06596	2.0
71.01347	3.3
71.05006	6.1
73.08977	1.5
79.05500	50.3
81.02991	2.1
81.03426	28.9
81.07065	100.0
83.04989	19.6
83.08641	9.1
85.02875	1.7
85.06532	4.5
89.03916	1.3
89.90991	1.5
91.05486	35.6
93.07052	70.1
95.04979	7.3
95.08611	36.6
97.06530	14.7
97.10169	1.3
98.20793	2.8
98.21453	2.8
99.08080	1.9
105.04504	1.8
105.07036	12.7
107.04953	4.2
107.08604	28.2
109.06507	4.4
109.10155	3.5
111.08067	5.4
113.09646	1.6
117.07024	14.6
119.08559	5.7
121.06535	10.6
121.10152	17.5
123.11718	1.5
131.08565	15.7
133.10149	19.7
135.08109	5.5
135.11705	35.2
142.56236	1.4
145.02841	1.8
145.10104	2.7
149.09618	2.1
149.13269	19.9
151.11215	2.9
159.11702	18.2
163.11201	1.2
168.10188	1.7
177.05507	2.7
177.12796	12.9
195.02921	7.7
195.06516	1.2
195.11855	2.6
195.13811	15.8
195.17465	2.9
207.28772	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03943	5.9
55.01873	4.4
55.05515	21.7
56.68311	0.7
57.03440	5.9
57.07060	2.3
61.10840	0.8
61.25496	0.8
63.76342	0.8
65.03934	3.0
67.05508	66.4
69.03422	2.3
69.06730	1.2
69.07072	16.6
69.07816	0.8
69.81602	4.8
71.01344	3.1
71.05006	6.6
73.02898	1.4
79.05495	47.6
79.51040	0.8
81.03425	28.2
81.07059	100.0
83.04503	1.0
83.04989	16.4
83.08617	11.5
85.06551	5.6
89.06047	1.0
91.04906	1.6
91.05486	39.5
93.07050	68.0
95.04971	7.1
95.08611	38.0
96.68955	0.9
97.06544	15.8
97.10144	0.8
98.21487	1.6
99.08081	2.3
103.05501	1.0
105.04505	1.6
105.07037	14.7
107.04960	3.4
107.07874	1.6
107.08600	30.7
109.06523	4.9
109.10126	3.4
111.08070	7.3
113.05996	1.2
117.03377	1.0
117.07020	14.3
117.98621	0.9
119.08582	3.3
120.09635	0.9
121.06505	8.9
121.10154	8.6
123.11668	1.3
129.06952	1.2
131.08574	13.5
133.10138	22.9
133.98607	0.9
135.08022	5.6
135.11700	33.7
145.02832	1.2
149.09642	2.0
149.12079	1.0
149.13261	17.6
151.11159	2.5
159.11693	18.4
177.05495	2.1
177.12772	12.8
195.02838	2.4
195.11971	1.5
195.13820	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03937	6.9
55.01873	5.0
55.05522	26.6
56.75118	2.2
56.96566	7.8
57.03433	4.9
57.07074	5.7
65.03942	6.4
67.05508	68.9
69.03413	3.6
69.07081	20.1
71.01349	2.9
71.04984	8.3
71.50713	2.8
71.51099	2.2
79.05500	60.4
81.03423	34.8
81.07066	100.0
83.04989	31.4
83.08623	12.0
85.02924	2.2
85.06550	5.0
89.03899	10.3
89.06020	9.0
89.74242	2.0
91.05500	39.2
91.13881	2.0
92.05025	2.5
93.03428	3.6
93.07053	75.9
95.04977	12.7
95.08614	41.4
97.06522	15.1
100.02510	2.9
105.04491	3.8
105.07046	17.9
107.04946	8.7
107.08604	35.4
109.02859	3.6
109.06509	5.4
109.10158	6.5
111.04419	2.7
111.08071	10.6
113.06029	2.2
117.03401	14.7
117.07037	16.7
119.08575	6.2
121.06513	16.7
121.10159	9.0
125.05984	2.1
125.09584	2.7
129.07040	2.7
130.96284	4.1
131.08589	15.1
131.96075	2.2
133.10129	23.9
134.06000	2.1
135.04445	2.8
135.08046	9.6
135.11705	32.7
136.07596	2.6
136.12181	2.2
137.05974	3.8
139.03949	3.0
139.07591	5.1
145.02879	24.7
148.97353	3.5
149.02367	2.7
149.05965	9.2
149.09612	4.4
149.13303	17.7
151.07530	3.2
153.09171	3.7
153.97894	2.7
159.11693	19.6
163.03915	7.6
165.07011	3.7
167.03696	2.6
167.08669	2.5
168.10219	2.6
177.05487	29.9
177.12666	12.3
177.16508	2.4
195.02942	26.9
195.06461	7.9
195.08304	4.5
195.11760	6.4
195.13818	27.3
195.15704	6.0
196.09700	5.0
196.17055	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03938	10.7
54.53316	2.7
55.01859	9.0
55.05515	23.2
56.96554	6.1
57.03428	8.2
57.07074	6.6
58.70001	2.4
65.03938	7.4
67.05511	71.1
69.03436	3.2
69.07075	19.0
70.06598	2.9
71.01353	2.8
71.04988	8.4
71.50941	3.0
77.03938	3.1
79.05073	4.0
79.05502	54.0
81.02963	4.7
81.03418	33.3
81.05475	2.5
81.07064	100.0
83.04983	19.6
83.08633	13.9
83.09048	2.7
85.02898	4.9
85.06551	3.6
89.03913	7.4
89.06020	11.0
91.05497	42.0
93.03379	2.9
93.06485	4.4
93.07051	68.0
94.06589	3.7
95.04958	11.7
95.08608	35.0
97.06504	8.4
105.07035	18.8
107.04926	14.4
107.08602	35.5
108.04462	3.1
109.06540	6.7
109.10126	3.3
111.04494	5.7
111.08099	10.8
112.45586	2.9
117.03393	14.7
117.07034	18.9
119.08604	5.7
121.06516	14.1
121.10136	12.3
123.08084	2.5
130.96289	4.6
131.08582	15.7
133.10135	22.3
135.04399	4.2
135.08060	8.2
135.11700	32.7
145.02859	21.6
148.97346	5.4
149.05975	12.2
149.09648	3.6
149.13286	21.2
149.97215	4.7
150.09131	3.2
153.05513	3.3
159.11700	18.2
163.03911	6.2
165.07007	5.6
167.07031	3.5
167.08583	5.0
168.10220	7.5
171.98967	4.5
177.01901	3.2
177.05502	35.6
177.09106	2.9
177.12729	12.0
178.68869	2.9
180.09354	3.4
195.02934	35.7
195.06473	11.0
195.08162	8.1
195.11630	6.1
195.13800	25.5
195.15758	8.4
195.17400	3.0
196.16960	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03946	4.4
55.01861	3.2
55.05511	24.4
57.03445	6.7
57.07069	3.9
65.03935	3.3
67.05505	73.4
69.03429	2.2
69.07070	19.9
69.95358	5.6
70.06587	2.3
71.01356	3.2
71.05006	7.0
73.02900	2.6
77.03893	1.1
78.13493	1.2
79.05495	50.5
81.03419	29.9
81.07057	100.0
82.07388	1.2
83.04987	17.6
83.08624	13.4
84.02058	1.1
85.06545	4.8
86.80998	1.1
87.04434	1.2
89.06044	3.0
91.05481	40.7
93.07043	68.9
94.07378	1.4
95.04969	8.9
95.08607	37.8
97.06538	14.5
99.08084	2.4
101.06031	1.2
105.04482	1.6
105.06499	1.2
105.07050	12.7
107.04941	3.8
107.08603	28.0
109.06524	3.0
109.10154	3.0
111.08083	7.9
117.07024	14.3
119.08591	4.3
121.06506	11.6
121.10146	16.0
123.08059	1.9
131.08574	14.8
133.10133	20.4
135.08087	6.9
135.11697	28.8
135.12718	1.6
139.11197	2.2
145.02826	2.8
145.10144	1.5
147.11742	1.5
148.23300	1.2
149.06000	1.2
149.09625	1.4
149.13261	19.1
151.11186	3.8
154.42601	1.2
159.11717	16.0
163.11253	1.3
177.01794	1.7
177.05444	4.7
177.12738	13.0
180.33365	1.1
195.02878	9.6
195.06461	1.2
195.08292	1.2
195.11853	2.1
195.13791	17.2
195.15598	1.8
195.17514	3.3
212.22523	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.05499	2.3
67.05486	3.3
69.07064	2.9
70.62914	4.2
71.04997	100.0
74.99237	1.2
79.05482	2.5
81.07069	8.7
91.05483	5.5
93.07043	5.2
95.08616	7.5
98.80818	1.7
105.07052	11.5
107.08605	7.2
109.06509	4.5
109.10144	4.4
111.41611	1.2
119.08587	8.1
119.93399	1.3
121.06600	1.6
121.10149	13.1
123.04408	1.8
123.08070	4.0
123.11732	12.9
123.21198	1.3
133.06523	3.4
133.10139	13.4
135.11642	2.7
137.09570	3.0
138.89087	1.3
147.11682	3.8
151.11151	12.6
151.14781	1.9
161.05991	2.4
165.12718	2.8
175.14842	21.1
193.04948	3.5
193.08612	3.9
193.15895	66.6
194.16310	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	5-Hydroxyconiferaldehyde
Peak:m/z	Relative Intensity
53.03937	0.8
55.01866	1.0
55.05505	0.8
55.09363	0.3
56.96558	0.8
57.03424	0.5
57.07056	0.3
58.41163	0.3
65.03923	0.5
67.01856	1.2
67.05503	1.8
68.96320	0.6
68.99772	1.9
69.03088	0.5
69.03435	6.2
69.04449	0.3
69.07054	0.8
70.06601	0.4
70.94269	0.5
71.04987	0.7
71.50963	0.5
79.05497	3.4
81.03410	0.9
81.07060	2.6
83.04970	1.1
84.08152	0.4
85.06546	0.5
89.03904	1.1
89.06039	0.6
91.05485	2.7
93.03411	0.5
93.07055	2.2
95.04968	2.9
95.08598	1.3
95.90253	0.3
97.02884	0.7
97.06515	0.4
98.06046	0.5
98.97565	0.5
99.04427	0.4
103.05457	1.3
105.07054	2.0
107.04961	10.5
107.08598	3.1
109.06529	1.1
109.10124	0.7
109.98930	0.8
111.00775	0.5
111.04436	1.4
111.08079	1.1
115.05464	0.9
117.03403	2.3
117.07040	0.4
119.08598	0.8
120.05719	0.5
121.02853	0.5
121.06518	2.0
121.10157	1.7
123.04431	6.6
123.08048	0.5
123.11742	0.4
125.05988	1.0
125.09662	0.3
127.03899	0.4
129.77321	0.3
130.96300	1.4
131.04936	0.5
131.08591	0.8
133.06512	0.4
133.10117	0.6
134.03658	0.8
135.04431	0.9
135.08078	3.5
135.11690	2.4
137.05971	0.8
139.03902	2.7
139.07555	0.4
145.02870	4.4
148.97394	1.6
149.05989	2.5
149.09615	1.4
149.13144	0.5
151.03922	9.8
151.07520	0.4
153.01837	38.1
153.05409	3.2
153.09079	0.5
153.97923	0.7
154.02151	0.4
154.06197	0.8
159.11679	0.5
159.69797	0.4
163.03931	0.6
163.07545	3.1
167.03432	0.7
167.07072	3.9
171.98917	1.1
177.01938	0.6
177.05479	8.3
177.09125	1.0
177.12767	1.2
180.07803	1.0
195.02963	4.8
195.06540	100.0
195.10101	4.4
195.13780	1.0
195.15726	1.0
195.19525	0.4
196.06857	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	Enalin A
Peak:m/z	Relative Intensity
53.28334	0.2
55.05508	0.4
61.12562	0.3
64.76138	0.3
65.03946	0.7
67.01881	1.4
67.05510	0.9
68.99798	1.2
69.03431	5.6
69.07073	0.4
70.95328	0.7
77.03928	0.7
79.05496	0.8
81.03425	0.6
81.07053	1.0
83.04996	0.6
85.02893	0.3
89.03932	0.6
89.06045	1.0
91.05463	0.8
93.03399	0.7
93.07065	1.9
95.04990	1.7
95.08601	0.4
103.05464	0.4
105.03387	0.5
105.07037	1.0
107.04959	1.7
107.08557	0.9
109.06548	0.5
109.10103	0.3
110.06054	0.8
111.00845	0.4
111.04454	0.6
115.05501	0.3
117.03398	0.9
121.02880	0.4
121.06499	1.1
121.10160	1.1
123.04440	7.0
125.02442	0.4
125.05981	0.5
130.96315	0.8
131.04919	0.4
131.08537	0.5
133.02859	1.8
134.03671	0.3
135.04416	0.9
135.08072	1.1
135.11707	0.7
137.06013	0.4
137.09595	0.6
139.03889	2.8
145.02837	1.4
149.02357	0.8
149.05991	1.3
149.09616	1.1
151.03915	10.1
153.01837	37.9
153.05396	2.0
153.97891	0.4
163.03888	0.6
163.07550	0.5
167.03435	0.9
167.07057	0.9
177.01843	0.6
177.05502	4.7
177.09077	1.0
195.02884	8.2
195.06543	100.0
196.06895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0865
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
53.03936	8.1
57.03430	4.9
58.31133	2.3
65.68017	2.6
69.03429	12.6
70.06590	3.2
70.74574	6.6
71.05003	12.4
71.37749	2.0
73.02913	5.7
75.04500	2.5
81.03428	100.0
82.06579	4.5
85.02934	11.0
90.42031	2.0
90.48460	1.8
99.04440	3.4
100.02485	3.2
105.00109	35.9
106.00487	23.3
106.99654	3.8
109.02892	44.3
113.00875	2.3
118.03493	2.8
119.01899	3.7
127.03900	6.9
141.05273	2.9
144.52394	2.4
145.02827	5.8
146.06639	3.0
149.06006	3.7
163.03909	3.5
170.98997	3.3
177.02240	2.0
177.05435	7.2
178.02516	10.1
185.03006	2.4
189.00032	3.0
195.02927	10.1
195.11340	3.5
196.06039	3.8
196.09644	2.9
205.31911	2.0
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
51.02130	2.2
53.03945	3.4
55.05516	20.0
57.03435	3.5
57.07072	5.1
59.04984	2.5
61.27942	1.9
65.03931	3.4
67.05507	24.8
69.03410	3.5
69.07069	53.5
69.37542	18.1
71.04992	8.2
79.05499	18.9
81.03411	8.7
81.07063	38.7
83.04967	2.6
83.08615	16.4
85.06538	5.1
88.29216	2.2
91.05493	15.8
93.07040	30.1
95.04979	22.4
95.08617	42.2
97.06544	41.4
97.10168	3.7
99.08087	3.5
103.05453	3.0
105.07043	37.1
107.04933	2.5
107.08590	40.6
109.05803	4.3
109.06525	73.5
109.07266	3.8
109.10165	38.9
110.06786	2.3
111.08092	11.6
111.11710	8.3
111.75613	2.0
119.08590	43.8
119.65180	2.1
121.10145	17.7
123.08073	71.1
123.11710	9.0
125.09624	3.0
133.02827	2.2
133.06514	10.4
133.10141	60.6
135.08072	3.4
135.10706	3.5
135.11705	59.6
135.78673	2.2
137.09622	29.2
147.04369	2.8
147.11707	14.8
149.09648	2.9
149.13257	7.2
151.07524	2.3
151.11183	5.0
161.05954	10.2
175.11295	2.8
175.14828	59.3
193.04993	12.5
193.06587	2.0
193.08499	4.9
193.10101	2.8
193.12221	7.9
193.15895	100.0
208.41290	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03933	3.0
55.01878	3.3
55.05512	25.3
57.03425	2.2
57.07061	7.2
58.90791	1.7
59.04998	2.4
65.03934	3.4
67.05508	32.2
69.03442	13.9
69.07074	25.7
69.38441	7.5
69.38865	7.8
71.04980	3.9
79.05502	13.8
81.03407	1.9
81.07063	44.6
83.04980	24.9
83.08618	14.3
85.06549	6.3
90.18338	1.7
91.05483	30.3
93.07053	33.0
95.04964	8.0
95.08615	68.5
97.06532	6.0
97.10153	2.3
99.08076	3.5
103.05477	3.6
105.07037	51.3
107.08602	60.0
109.06524	19.8
109.10162	84.4
111.08061	11.7
115.05479	3.5
117.07027	3.5
118.04176	2.6
119.04942	6.5
119.08591	89.1
121.06456	3.7
121.10156	32.5
123.08080	40.7
123.11687	13.8
125.09619	2.4
131.08577	3.7
133.02863	3.1
133.06514	17.3
133.10136	72.8
134.10889	2.4
135.08049	2.0
135.11699	100.0
137.09618	32.4
138.10405	5.4
139.03952	2.2
145.10127	2.7
147.04424	32.0
147.11679	17.0
149.13274	22.1
151.11209	8.8
151.14771	10.2
160.12405	2.2
161.05960	15.2
165.05499	5.4
165.16357	4.1
175.03925	30.8
175.14838	82.0
178.02675	2.3
193.04970	39.3
193.08412	9.8
193.12183	4.1
193.15898	82.0
194.05318	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	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03934	3.3
55.01862	2.8
55.05521	7.8
55.47834	0.9
57.03426	2.7
57.07068	3.5
57.47265	0.8
59.05006	1.0
65.03930	2.8
67.05509	36.3
67.05882	1.8
69.03085	1.7
69.03433	23.0
69.07071	9.1
69.98629	1.9
69.99043	3.1
70.03744	1.0
70.06596	1.2
71.04996	10.5
79.05494	16.4
79.48079	0.8
81.03424	14.8
81.06588	2.0
81.07063	37.2
81.30360	0.9
82.06518	0.9
83.04965	2.9
83.08614	4.0
91.05484	18.3
93.07050	13.1
95.04979	9.3
95.08613	18.3
97.06531	3.6
97.10164	2.0
97.34515	0.9
98.20817	1.4
103.05471	5.8
105.03402	0.9
105.04543	0.9
105.07037	55.6
107.04966	2.7
107.08603	14.3
109.02882	1.3
109.06531	9.5
109.10162	100.0
111.08074	2.1
115.05473	6.8
117.07024	1.7
118.04166	5.0
118.04969	0.9
119.05039	1.9
119.08590	32.2
121.02892	0.9
121.06544	1.8
121.07630	1.9
121.10138	6.8
123.04446	2.8
123.08054	5.4
123.11719	27.3
124.44096	1.1
126.21859	0.9
129.07024	1.2
131.04951	2.1
131.08557	3.7
132.05711	2.1
133.02827	4.3
133.06500	31.1
133.10133	41.3
135.08055	2.6
135.11710	10.0
137.05981	4.2
137.09644	5.6
143.05997	2.1
145.10150	2.1
146.97469	1.8
147.04445	4.5
147.08046	2.7
147.11702	14.1
149.02307	2.4
149.06029	1.4
149.09645	2.3
149.13304	1.7
150.06740	1.0
151.03833	1.7
151.07553	3.3
151.11301	2.0
151.14844	1.2
157.10123	1.4
161.05995	27.8
165.05469	2.2
165.09100	2.7
165.12730	2.0
166.08661	1.3
169.98947	1.3
175.03986	2.1
175.07545	1.2
175.11189	3.0
175.14839	34.0
178.02655	2.9
193.04962	25.4
193.06641	1.5
193.08475	18.8
193.09984	3.6
193.12213	7.9
193.15894	65.3
194.08067	1.2
194.15399	1.5
213.06602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
50.58295	1.2
53.03930	1.3
55.01850	2.1
55.05500	4.8
57.50240	1.4
59.04986	1.6
67.01891	1.5
67.05508	6.2
69.07068	6.1
69.40495	4.6
69.40913	6.0
71.04996	100.0
79.05510	7.5
81.03421	2.6
81.07063	15.5
83.04975	1.5
83.08612	1.9
85.06538	1.7
91.05475	11.1
93.07040	8.8
95.04974	5.6
95.08604	11.7
97.06545	1.6
98.20826	2.4
103.05455	2.2
105.07040	22.7
106.99348	1.3
107.08592	11.9
109.06535	6.9
109.10167	9.0
115.05458	3.2
117.06996	2.2
118.04148	1.9
119.08585	25.8
121.10154	16.4
123.08099	3.3
123.11708	12.3
131.08569	3.4
133.06537	7.8
133.10138	29.1
135.11719	7.4
137.05960	1.8
137.09612	5.2
143.06114	1.4
146.10861	1.7
147.04483	2.1
147.08099	1.5
147.11684	9.7
149.02328	2.3
149.13249	3.1
151.11168	12.4
151.14749	2.2
157.71643	1.2
160.12628	1.8
161.05949	8.5
165.12743	3.2
175.03816	1.6
175.07573	1.4
175.11256	2.1
175.14824	36.2
193.04990	23.9
193.08525	8.8
193.12227	3.7
193.15895	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03942	7.1
55.01862	7.2
55.05503	14.5
57.07061	4.8
62.55918	3.1
65.03937	12.0
67.05507	59.6
69.03414	9.5
69.07076	16.7
69.22540	9.4
69.22943	25.2
71.04990	8.2
79.05505	60.1
81.03432	19.2
81.07063	61.0
83.04975	14.7
85.06541	6.8
89.39847	3.3
91.05488	100.0
93.07056	44.7
95.04985	29.7
95.08619	29.8
97.02895	13.8
97.06527	19.5
103.05465	5.6
105.07040	83.6
107.04947	10.7
107.08588	19.1
108.06871	3.5
109.06519	20.8
109.10123	7.9
113.06016	4.8
115.05464	5.4
119.08595	58.3
121.02882	4.6
121.06528	12.8
121.07629	18.6
121.10124	11.1
122.03604	3.5
123.04418	8.7
123.08051	11.2
129.07011	14.0
131.08618	17.2
133.02849	10.9
133.06506	19.3
133.10147	62.9
135.11655	4.3
136.07610	5.6
137.05994	10.7
137.09634	8.2
142.07761	7.2
146.97458	14.2
147.04425	6.5
147.07979	10.0
147.09106	3.9
147.11700	56.2
149.02373	73.7
149.03474	9.5
149.09647	17.4
151.03844	6.6
157.10178	40.1
161.05997	13.5
165.05449	7.5
165.12766	10.6
166.08600	3.7
169.99046	5.6
175.03897	6.6
175.11188	46.1
175.14835	12.9
178.02617	11.4
178.07805	5.2
183.70549	3.4
193.04984	91.6
193.06642	4.9
193.08456	11.3
193.09941	38.6
193.12209	45.9
193.15865	15.3
194.08147	6.1
194.15388	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03951	2.2
55.01867	2.6
55.05517	12.5
55.82795	2.1
57.07066	4.2
65.03955	2.0
67.05505	17.4
69.07076	26.3
69.34230	10.1
69.34653	4.7
71.04993	16.4
79.05482	9.5
81.03408	5.1
81.07059	24.0
83.08615	6.1
85.06540	15.7
87.23358	1.8
91.05502	13.0
93.07050	33.5
95.04972	41.3
95.08617	23.7
97.06525	4.7
97.10175	9.3
99.08094	4.7
105.07037	19.8
107.08608	37.8
108.06790	2.3
109.06523	100.0
109.10164	17.7
111.08064	6.7
111.11717	3.7
115.05519	1.7
119.08585	34.3
121.06493	6.6
121.07607	10.2
121.10124	12.0
123.04421	1.9
123.08064	6.7
123.11716	21.4
123.90213	1.6
133.06534	3.8
133.10149	28.9
135.11697	33.2
137.05971	3.4
137.09612	14.2
146.97475	3.8
147.04364	2.5
147.11664	5.0
147.20613	2.0
149.02309	5.5
149.13277	11.7
151.11177	3.7
151.14799	2.3
165.05562	2.5
165.10291	2.0
175.14842	41.0
178.02661	2.9
186.46754	1.6
188.81526	1.9
193.04977	18.9
193.06633	2.7
193.09846	14.6
193.12134	3.4
193.15884	60.5
193.17656	3.8
194.08035	2.5
194.15372	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	193.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	12.0
55.01881	8.3
55.05510	17.2
57.03419	4.3
57.07076	3.0
65.03940	4.7
65.80537	1.7
67.05505	40.4
69.03424	6.2
69.07057	5.4
71.04992	6.3
71.51857	2.4
77.03918	2.2
79.05495	42.1
81.03419	100.0
81.06585	2.7
81.07056	34.3
83.05004	10.1
83.08621	17.9
85.06533	2.8
90.69823	1.6
91.05482	60.6
92.05761	1.9
93.07047	34.5
95.04970	58.2
95.08596	12.5
97.02883	5.2
97.06543	4.8
99.08030	1.6
103.05527	2.3
105.07039	46.0
107.04971	11.2
107.08588	10.3
108.04472	1.8
108.06859	1.8
109.06523	18.0
109.10153	4.4
111.04441	9.9
111.08079	4.2
115.05434	3.4
117.07046	4.0
119.04996	2.9
119.07793	3.0
119.08582	30.7
120.96942	1.6
121.02884	1.5
121.06538	9.4
121.07592	12.4
121.10136	7.7
121.56853	1.6
123.08064	3.1
123.11734	2.4
123.33749	2.0
128.06299	2.5
129.06993	18.2
131.08586	16.8
133.02867	2.4
133.06485	10.2
133.10136	46.3
135.08035	6.6
135.11729	2.2
137.09599	2.9
142.07782	5.3
145.10112	3.0
146.97459	3.9
147.04446	3.4
147.08089	8.8
147.09082	1.8
147.11705	25.5
149.02348	3.2
149.09624	12.3
151.11179	6.8
157.10141	16.8
161.05988	3.8
165.12779	3.1
169.99005	2.0
175.11186	26.0
175.14824	4.8
178.02600	3.5
193.04968	20.0
193.06636	2.7
193.09804	16.6
193.12236	39.0
193.15915	4.5
193.17706	1.8
194.08153	3.2
194.15544	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03954	12.0
55.01881	8.3
55.05510	17.2
57.03419	4.3
57.07076	3.0
65.03940	4.7
65.80537	1.7
67.05505	40.4
69.03424	6.2
69.07057	5.4
71.04992	6.3
71.51857	2.4
77.03918	2.2
79.05495	42.1
81.03419	100.0
81.06585	2.7
81.07056	34.3
83.05004	10.1
83.08621	17.9
85.06533	2.8
90.69823	1.6
91.05482	60.6
92.05761	1.9
93.07047	34.5
95.04970	58.2
95.08596	12.5
97.02883	5.2
97.06543	4.8
99.08030	1.6
103.05527	2.3
105.07039	46.0
107.04971	11.2
107.08588	10.3
108.04472	1.8
108.06859	1.8
109.06523	18.0
109.10153	4.4
111.04441	9.9
111.08079	4.2
115.05434	3.4
117.07046	4.0
119.04996	2.9
119.07793	3.0
119.08582	30.7
120.96942	1.6
121.02884	1.5
121.06538	9.4
121.07592	12.4
121.10136	7.7
121.56853	1.6
123.08064	3.1
123.11734	2.4
123.33749	2.0
128.06299	2.5
129.06993	18.2
131.08586	16.8
133.02867	2.4
133.06485	10.2
133.10136	46.3
135.08035	6.6
135.11729	2.2
137.09599	2.9
142.07782	5.3
145.10112	3.0
146.97459	3.9
147.04446	3.4
147.08089	8.8
147.09082	1.8
147.11705	25.5
149.02348	3.2
149.09624	12.3
151.11179	6.8
157.10141	16.8
161.05988	3.8
165.12779	3.1
169.99005	2.0
175.11186	26.0
175.14824	4.8
178.02600	3.5
193.04968	20.0
193.06636	2.7
193.09804	16.6
193.12236	39.0
193.15915	4.5
193.17706	1.8
194.08153	3.2
194.15544	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02393	0.6
53.03939	1.3
55.01875	4.6
55.05525	0.7
65.03946	1.1
66.04724	0.7
67.05504	1.8
69.03416	0.5
69.07037	0.7
70.06588	1.5
70.56006	1.6
72.08178	0.5
74.08592	0.5
77.03938	0.6
79.05076	0.8
79.05500	12.0
81.03432	1.0
81.07067	2.5
82.51134	0.5
83.04987	0.6
90.04702	1.1
90.58323	0.5
91.05488	14.0
93.07037	1.6
95.04974	3.4
95.08612	1.2
98.86963	0.5
98.97552	0.5
100.72120	0.4
100.97564	0.5
102.04707	0.6
103.05474	16.6
103.06155	0.9
104.06265	0.8
105.03403	0.8
105.07037	100.0
106.07373	1.5
107.04946	1.1
107.08630	1.2
109.06515	2.0
109.10138	0.9
113.83236	0.4
114.05045	0.5
115.05462	22.7
115.66336	0.5
117.07004	0.8
118.04172	12.6
119.04964	1.4
119.08595	3.9
121.06500	2.3
121.07623	0.5
121.10209	0.5
122.06831	0.7
123.04417	0.7
123.08054	1.1
129.06999	0.7
131.04939	3.6
131.08569	2.7
132.05730	1.6
133.02858	1.5
133.06500	84.8
133.10133	24.2
134.05968	0.8
134.06894	0.7
134.10449	0.5
135.08015	0.6
137.05988	1.8
143.04922	2.1
143.06056	7.8
146.97397	0.5
147.04401	1.6
147.06325	0.8
147.08044	1.0
147.11705	5.4
149.06020	0.8
150.03165	0.9
150.04234	2.4
151.03877	0.7
151.07565	0.7
151.11122	1.0
160.05110	0.7
161.05998	90.6
162.06369	1.8
165.05516	3.0
165.06764	0.5
175.03888	1.8
175.07611	1.0
175.11235	2.2
175.14830	0.9
176.08386	0.9
178.02641	0.7
178.06203	0.9
193.04971	6.1
193.06880	0.5
193.08470	10.3
193.12154	3.9
193.15977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03942	6.8
55.01863	7.6
55.05505	8.9
57.03429	4.4
57.07076	12.2
60.24859	2.1
62.99310	2.2
65.03941	6.9
67.05509	63.6
69.03429	8.5
69.07070	19.5
71.04993	6.7
71.50843	2.7
79.05496	61.4
81.03407	8.6
81.05814	2.1
81.07062	68.1
83.04986	18.8
83.08628	4.7
85.02863	2.5
85.06532	4.2
89.89127	2.6
91.05486	100.0
93.07050	38.4
94.06606	3.5
95.04964	18.2
95.08602	32.4
97.02904	21.8
97.06535	16.6
99.08073	7.1
103.05479	5.3
105.07037	84.0
107.04987	7.8
107.08592	14.0
108.06876	3.3
109.02881	2.5
109.06519	19.5
109.10117	5.1
111.04433	4.8
113.06052	5.3
115.05470	7.5
117.06983	3.4
119.04967	5.1
119.06052	1.8
119.08589	59.1
121.06470	5.0
121.07668	16.8
121.10113	12.5
123.04452	4.4
123.08077	7.7
123.11700	3.2
125.05984	4.8
127.00885	2.2
128.96393	2.7
129.07010	17.0
131.08577	20.8
133.02852	6.0
133.06477	15.4
133.10138	62.5
135.04387	2.2
135.08075	2.5
135.11705	4.3
136.07562	3.1
136.75682	2.2
137.05981	7.4
137.09599	6.0
142.07770	3.9
145.10103	4.3
146.97441	8.2
147.04425	4.9
147.08061	5.7
147.11703	76.7
149.02368	16.8
149.05986	2.6
149.09622	11.7
151.07535	4.0
151.11215	2.1
157.10147	34.3
161.05994	11.8
165.05486	2.9
165.12770	10.9
169.99086	4.7
175.03879	3.4
175.11208	52.7
175.14777	10.4
178.02690	6.9
178.07860	3.1
193.04980	49.3
193.06845	4.9
193.09775	32.8
193.12256	53.7
193.13850	2.2
193.15866	9.6
193.17566	2.4
194.08089	3.9
194.15413	4.1
212.27324	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03948	1.7
55.01872	4.4
55.05507	1.5
56.80792	0.5
59.04996	0.7
59.82094	0.5
62.89894	0.5
65.03936	1.0
66.35375	0.5
67.05510	2.4
69.03435	0.9
69.07084	1.1
70.76980	1.3
70.77332	0.6
71.05022	0.6
77.03938	1.5
79.05497	12.3
81.03417	2.3
81.07053	2.9
83.05009	1.0
89.03912	0.7
90.04711	1.3
91.05478	8.4
93.07050	1.6
95.04967	2.6
95.08600	2.4
97.06513	1.0
102.04726	0.6
103.05476	16.1
104.06315	0.7
105.07037	100.0
106.07379	1.1
107.04958	1.1
107.08591	2.0
109.02863	0.6
109.06544	1.5
109.10146	2.6
115.05457	24.2
117.06991	0.9
118.04169	11.8
118.79114	0.5
119.04968	1.0
119.08585	5.6
121.06545	0.7
121.10176	0.9
123.08088	1.2
123.11728	0.7
129.07088	0.8
131.04935	3.6
132.05717	1.2
133.02892	4.0
133.06500	77.1
133.10127	8.1
134.06895	1.2
135.11745	1.2
137.05995	3.0
137.09616	0.9
143.04971	1.4
143.06026	7.2
146.97484	0.8
147.04431	1.7
147.08064	1.6
147.11732	2.9
149.02333	0.8
149.06012	0.7
150.03206	0.8
151.07477	0.7
161.05991	89.6
162.06367	1.1
165.05522	1.2
165.09099	0.8
175.03954	1.3
175.07516	1.3
175.11089	1.3
175.14885	3.7
176.03427	0.6
178.02693	2.6
178.06235	1.2
193.04980	15.5
193.06606	0.6
193.08521	13.1
193.12276	2.3
193.15892	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01879	3.9
55.05516	2.6
65.03938	1.6
67.05515	2.7
69.03427	0.9
69.07061	1.6
69.78503	2.3
70.06593	1.0
71.05005	0.5
72.08173	0.6
74.56660	0.5
77.03931	1.0
79.05499	14.3
81.03419	1.1
81.07063	4.9
83.04983	1.6
83.08618	0.6
85.06540	0.9
89.03913	1.1
90.04717	1.0
91.05490	16.9
93.07042	4.3
94.76369	0.5
95.04974	3.3
95.08624	3.6
98.21450	0.8
99.08086	0.7
99.55629	0.5
102.04660	0.6
103.05482	14.7
104.06272	0.9
105.03397	1.1
105.07039	100.0
106.06630	0.6
106.07376	1.4
107.04958	1.5
107.08609	2.6
109.06524	2.3
109.10155	3.2
115.05462	21.9
117.07035	0.6
118.04158	10.3
119.04959	1.2
119.08585	8.0
121.06565	1.4
121.07639	1.7
121.10155	1.1
123.04461	0.9
123.08057	1.4
123.11728	0.7
129.07045	1.2
131.04956	3.6
131.08566	3.6
132.05762	1.3
132.06630	0.6
133.02838	1.9
133.06505	76.3
133.10138	38.4
135.08047	1.1
135.11705	1.8
137.05995	2.3
137.09610	1.7
143.04945	1.4
143.06024	6.9
146.03664	0.5
146.97449	1.0
147.04440	5.1
147.06349	2.2
147.08092	1.4
147.11703	7.1
149.02361	0.7
149.06023	1.3
149.13261	0.6
151.03920	0.7
151.11157	1.5
161.06001	79.2
162.06323	1.3
165.05501	3.4
165.09187	0.8
175.03889	3.4
175.07549	1.3
175.11200	2.0
175.14891	4.8
178.02570	2.4
178.06332	0.9
193.04993	10.8
193.06694	0.9
193.08476	11.2
193.12216	5.8
193.15959	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	193.0497
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
59.56563	0.3
65.03971	0.3
67.01868	2.8
67.84106	0.3
68.99788	1.4
71.42310	0.5
80.93658	0.2
81.03399	0.5
85.02917	1.8
91.05470	1.3
93.07078	0.6
95.04950	0.6
95.08637	0.4
96.42660	0.3
103.05461	0.3
105.07041	1.5
107.08651	0.3
109.02858	0.5
109.06516	0.3
109.10148	0.5
119.04916	0.5
119.08567	1.1
121.06487	0.6
125.05973	1.6
127.03912	0.8
133.02856	0.5
133.06528	0.8
133.10132	1.3
135.11601	0.4
137.05995	0.8
147.04425	2.2
147.11684	1.0
151.03899	1.1
153.01854	2.5
161.05945	0.7
169.04942	1.1
175.03937	0.7
175.11244	0.4
175.14809	1.0
193.04974	100.0
194.05289	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0498
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
51.02368	0.2
53.03942	0.2
55.01868	0.3
55.05498	0.4
65.03934	0.3
67.01536	0.3
67.01865	3.1
67.05492	0.7
68.99791	1.5
69.03409	0.3
69.07055	0.5
69.14306	0.9
69.14738	1.0
71.04990	0.3
79.05504	1.3
81.03415	1.1
81.07064	1.6
83.04959	0.3
83.08579	0.2
85.02916	1.2
91.01847	0.2
91.05495	1.8
93.07027	0.8
95.04959	0.8
95.08611	1.1
103.05458	0.8
104.06243	0.3
105.07037	5.3
107.04942	0.4
107.08577	0.6
108.66028	0.2
109.02895	0.6
109.06512	0.8
109.10168	1.3
110.97785	0.2
111.81559	0.2
115.05470	0.9
117.07047	0.3
118.04152	0.5
119.04956	0.8
119.05672	0.2
119.08578	2.5
121.02862	0.2
121.06409	0.2
121.07626	0.2
121.10114	0.4
123.04421	0.6
123.08081	0.6
123.11726	0.2
125.02352	0.2
125.05994	1.6
127.03906	0.6
129.07066	0.2
131.08583	0.2
132.05737	0.3
133.02829	0.7
133.06499	3.7
133.10133	3.2
135.08168	0.2
135.11699	0.8
137.05968	0.9
137.09612	0.3
143.06075	0.3
147.04404	2.2
147.08011	0.3
147.11681	1.2
149.02373	0.3
150.06822	0.3
150.70590	0.2
151.03886	1.4
151.07587	0.3
151.11179	0.3
153.01842	2.5
159.73975	0.2
161.05997	3.1
165.05481	0.6
165.09157	0.4
169.04950	1.4
175.03891	1.5
175.07545	0.2
175.11160	0.6
175.14835	2.5
178.02618	0.3
193.04968	100.0
193.08623	3.5
193.15923	1.3
194.05293	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0769
Annotation	Carbendazim
Peak:m/z	Relative Intensity
50.75405	0.2
50.95303	0.2
53.03198	0.2
53.03899	0.3
55.01831	0.2
58.82213	0.2
65.03896	0.2
67.05460	0.2
71.50668	0.3
72.08161	1.0
79.05457	0.3
83.04956	0.4
85.55541	0.2
91.05486	1.1
92.04985	0.3
93.07048	2.0
94.06525	0.4
95.04911	0.5
103.05477	1.4
105.04456	0.2
105.06985	0.6
106.07318	0.3
107.08595	0.3
109.02846	0.7
109.10126	0.3
110.10448	0.2
118.06510	0.7
119.04949	0.2
119.08561	0.3
120.08088	0.4
121.06508	14.7
122.10505	0.2
132.04552	0.3
132.05560	2.9
132.08885	0.5
133.06364	0.6
134.05968	0.2
134.10448	0.7
135.05540	0.4
136.07523	0.2
136.08440	0.2
146.06044	2.1
160.05067	100.0
161.05412	0.7
164.07063	0.3
174.05550	0.5
174.09212	0.5
174.13646	0.7
179.68758	0.2
192.07735	17.3
192.10406	0.7
192.13997	1.2
192.17488	0.4
193.04974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38417	0.2
53.03945	1.4
55.01867	0.4
56.05031	0.5
65.75200	0.3
67.01873	1.0
67.05527	0.2
68.99797	0.4
71.49986	0.2
71.50383	0.3
72.04521	2.8
77.03938	0.6
79.05508	0.7
80.05028	0.3
81.03429	0.4
81.07056	0.3
83.05004	0.4
85.02901	0.5
91.05483	8.0
93.07045	13.2
94.06581	0.3
94.07373	0.3
95.04968	1.7
103.05474	9.3
105.04533	0.7
105.05801	0.2
105.07017	1.2
106.06567	1.0
106.07317	0.4
107.04961	2.5
107.08575	0.2
108.08913	0.3
109.02905	1.1
118.06545	0.8
119.04972	0.3
119.08601	0.3
120.08132	0.3
120.08937	0.4
121.06508	100.0
122.06037	0.4
122.06815	1.6
123.04497	0.3
125.05981	0.3
126.96398	0.2
127.56570	0.2
128.05000	0.3
129.53410	0.2
132.05556	0.4
132.08922	0.6
133.02835	0.3
133.06497	0.8
133.10120	0.9
134.10457	0.8
136.07538	0.2
137.05960	0.3
138.12952	0.2
146.06021	4.2
146.10516	0.4
147.04405	1.3
147.08153	0.3
148.07571	0.4
148.12010	0.4
150.96918	0.3
151.03885	0.6
153.01840	0.9
159.11238	0.3
160.05072	7.5
161.05991	0.5
164.07050	0.6
169.04996	0.3
174.05504	1.0
174.09143	0.9
174.13629	0.9
175.03845	0.3
192.06314	1.8
192.08025	0.7
192.10185	11.9
192.14844	1.2
192.17470	0.4
193.04971	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05497	8.0
57.03441	2.7
57.07070	3.7
65.03959	1.8
66.29271	1.7
67.05516	9.2
69.03417	7.6
69.07072	12.8
70.76555	3.4
70.76891	2.4
71.04977	5.6
71.53413	2.1
72.08170	1.8
77.03918	2.2
79.05495	15.7
81.07065	14.2
82.29423	1.6
83.04968	8.0
83.08603	6.5
85.06538	2.6
91.05479	29.2
93.07047	25.6
95.04948	5.3
95.08604	11.1
97.06520	8.6
103.05453	7.1
105.07034	54.0
107.04971	4.1
107.08602	53.4
109.06521	19.6
109.10169	24.1
115.05447	4.5
116.06226	1.9
117.07053	9.3
119.08590	34.4
121.06511	27.1
121.10155	29.2
123.08069	8.1
123.11674	4.3
129.06981	4.9
130.07747	4.3
131.04941	3.7
131.08575	48.6
133.06474	2.1
133.10138	100.0
135.08061	28.7
135.11664	4.9
143.08511	13.4
144.09373	3.4
145.06499	3.4
145.10127	28.3
146.05978	3.0
147.11696	16.3
149.09612	12.4
149.13260	28.8
156.09299	1.9
158.10909	17.1
163.07408	3.0
163.11160	4.3
163.14839	7.5
164.07057	4.8
173.05965	2.7
173.09631	2.3
173.13266	68.9
185.14511	1.9
191.03343	4.5
191.07025	8.3
191.10675	6.1
191.14307	73.2
192.06584	7.1
192.10277	1.9
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
51.02383	1.6
53.03939	2.3
53.87911	1.2
55.01873	6.7
55.05516	7.6
57.03424	2.0
57.07061	1.4
65.03948	3.1
66.35931	1.4
67.05509	13.7
69.03091	1.3
69.03430	16.8
69.07074	12.8
69.35731	5.9
69.36163	5.0
71.04991	8.3
79.05067	2.0
79.05492	22.4
81.03394	1.4
81.07059	18.1
82.34151	1.4
83.01323	1.6
83.04991	9.7
83.08625	3.3
85.06532	4.1
87.68864	1.2
91.05483	21.9
93.07047	18.7
95.04967	8.2
95.08612	14.2
97.06518	4.5
101.45242	1.3
103.05470	3.3
105.07037	31.3
107.04962	10.3
107.08603	52.9
109.06524	13.9
109.10162	39.4
111.04433	2.4
116.06255	1.6
117.07043	7.1
119.06046	1.3
119.08584	14.4
121.06505	15.7
121.10143	38.5
122.07297	2.0
123.08070	9.5
125.09744	1.5
129.07031	2.7
130.07797	3.1
131.04932	3.7
131.08577	32.7
133.06541	1.9
133.10136	84.0
135.04407	4.3
135.08063	40.0
135.09120	1.8
135.11702	10.6
137.09616	10.2
140.36340	1.4
143.08589	8.8
144.09354	2.0
145.06485	2.3
145.10115	18.4
147.04480	1.5
147.08046	2.7
147.11703	19.0
148.08833	2.4
149.09650	12.5
149.13268	21.1
150.10359	1.5
158.07248	2.1
158.10915	9.7
159.04588	1.3
161.06027	2.0
161.09621	5.2
163.03899	4.0
163.07584	3.0
163.11171	8.5
163.14799	5.5
170.51549	1.3
171.11703	1.5
173.09622	5.7
173.13268	39.0
176.08388	8.6
176.11993	3.7
191.03426	11.3
191.04988	1.5
191.07034	7.6
191.10678	40.4
191.14313	100.0
192.06499	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01871	2.0
55.05508	6.4
57.07063	1.7
67.05502	11.3
69.03437	14.8
69.06773	1.2
69.07078	11.8
69.44001	2.4
69.44411	8.5
71.04977	1.2
79.05499	13.7
81.07058	14.4
83.04984	7.3
83.08613	4.3
85.06511	1.3
91.05486	8.2
93.07044	17.2
95.04971	12.4
95.08617	21.2
97.06517	6.2
100.80070	1.3
105.07036	17.4
107.04954	3.4
107.08601	36.9
109.05877	1.3
109.06525	7.7
109.10156	3.7
111.08065	2.2
117.07018	3.7
119.08575	12.2
121.06502	17.6
121.09335	2.0
121.10159	30.6
123.08051	5.8
129.06978	2.5
131.08585	19.3
133.10129	19.0
135.08057	23.0
135.11670	7.8
137.09558	1.2
143.08571	4.5
144.09384	2.4
145.10141	13.6
147.08029	3.7
147.11697	17.6
148.08871	7.7
148.53415	1.3
149.09637	15.8
149.13293	12.0
158.10938	7.9
161.09602	2.9
163.11131	3.2
163.14815	7.7
173.13274	24.3
176.11966	2.2
191.03398	2.2
191.07159	1.3
191.10707	4.0
191.14319	100.0
192.14647	2.2
212.60651	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.7
53.92648	1.7
55.01860	3.6
55.05512	10.0
57.03431	7.5
57.07069	4.4
57.66229	1.9
59.05013	1.9
65.03938	2.4
66.59278	1.6
67.05499	10.2
69.03427	15.7
69.07072	17.8
69.26747	16.6
71.04989	9.8
79.05503	18.2
81.07043	15.3
81.20588	2.1
83.04971	8.1
83.08617	9.6
85.06525	2.7
91.05485	32.4
93.07048	27.3
95.04944	6.6
95.08607	13.1
97.06528	10.1
98.20768	2.4
103.05457	3.8
103.95888	1.8
105.07036	56.0
107.04944	5.5
107.08600	52.4
109.06531	10.1
109.07169	1.9
109.10168	7.3
115.05444	4.6
116.06271	3.6
117.07052	12.1
118.06561	2.1
119.06113	1.9
119.08585	46.5
121.06520	12.0
121.10149	38.3
123.08060	5.8
123.11740	2.9
128.06210	1.6
128.76389	1.9
129.07040	8.6
130.07779	4.6
130.92680	1.8
131.04976	2.1
131.07602	2.6
131.08577	54.4
133.10136	67.1
135.08070	29.1
135.11717	9.7
137.09602	1.8
143.08572	18.9
144.09323	6.2
145.07593	2.2
145.10136	34.6
147.08101	3.6
147.11705	33.8
149.09608	10.0
149.13254	20.8
158.10931	26.4
161.09636	4.3
163.11214	7.4
163.14854	10.2
171.11630	2.5
173.09618	2.8
173.13277	64.4
191.03419	4.2
191.06847	3.1
191.08391	4.2
191.10707	12.9
191.14322	100.0
192.14561	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.04871	1.0
53.03938	1.5
55.05506	3.7
57.03416	1.7
64.28973	1.3
67.05506	5.4
69.03435	12.4
69.07060	4.6
70.14944	3.9
71.09780	1.1
71.14985	1.0
79.05502	13.8
81.07056	11.8
83.04988	4.7
83.08624	1.3
84.22933	1.2
86.13058	1.0
90.60516	1.2
91.05481	9.2
93.07059	7.0
95.04964	1.3
95.08609	4.9
105.07042	13.5
107.04993	5.3
107.08601	30.0
109.06503	3.2
109.10156	11.2
115.99310	1.2
117.07044	2.0
118.07852	1.4
118.64658	1.0
119.08610	7.2
121.06527	2.8
121.10143	18.5
122.07269	2.0
123.08114	2.9
129.06975	1.3
131.08557	10.5
133.10136	100.0
133.81570	1.2
135.08058	5.7
135.11700	3.0
137.09637	11.7
143.08545	4.0
145.10112	4.9
147.11685	4.2
149.09654	3.8
149.13268	12.7
158.10944	4.8
161.09625	1.0
163.14812	2.9
163.35342	1.0
173.13275	20.5
176.12054	1.2
191.10657	1.1
191.14320	32.6
204.53426	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03948	0.8
53.29399	0.6
55.05503	2.7
57.03420	0.7
57.07062	2.3
65.85533	0.6
67.05494	2.6
69.03435	10.6
69.07079	6.4
70.79829	1.5
73.20024	0.8
79.05489	5.1
81.07045	2.2
83.04987	9.0
83.08612	1.6
91.05488	5.3
93.07050	5.6
95.04960	2.1
95.08623	3.5
97.06520	2.1
103.05453	0.8
105.07030	7.5
107.04939	2.0
107.08594	18.3
109.06499	2.3
109.10139	1.6
111.08092	0.9
117.06989	1.4
119.08588	6.1
121.06504	5.0
121.09339	0.9
121.10149	11.2
123.08073	1.5
129.07002	1.0
131.08575	10.7
133.09131	1.0
133.10123	10.8
135.04414	0.9
135.08060	11.2
135.11665	2.3
141.05212	0.7
143.08598	2.3
144.09268	1.0
145.10118	5.9
147.08015	1.0
147.11688	4.9
149.05937	0.9
149.09621	4.7
149.13261	5.1
158.10918	7.1
161.09608	5.0
163.03894	5.4
163.07527	0.8
163.14841	0.8
173.11966	1.2
173.13289	13.6
176.11972	2.6
191.03371	4.6
191.06953	1.6
191.14317	100.0
192.14594	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01872	2.3
55.05511	6.2
57.03428	2.0
57.07072	2.0
59.05012	1.5
67.05493	5.3
69.03081	1.8
69.03432	17.4
69.07070	11.5
69.19424	1.3
70.02296	1.2
71.04996	3.4
74.96809	1.2
77.03928	1.4
79.05493	13.9
81.07065	11.1
83.04993	6.8
83.08612	2.3
85.06521	3.1
91.05486	21.0
93.07054	16.9
95.04977	3.4
95.08614	14.3
97.06518	8.1
100.66966	1.3
103.05481	7.1
105.03410	1.2
105.07040	40.2
107.04944	5.6
107.08601	39.7
109.02879	1.7
109.06532	7.3
109.10149	5.7
111.08064	2.4
115.05454	3.1
116.06274	2.7
117.07043	8.5
118.04223	1.6
118.06523	1.7
119.01610	1.5
119.06045	1.5
119.08590	30.9
120.08142	1.6
121.06506	13.9
121.10151	25.4
123.08061	8.0
123.11694	2.1
129.06975	4.6
130.07817	3.2
131.04895	3.0
131.08575	34.9
133.06514	1.9
133.09119	2.8
133.10138	53.2
135.08061	22.5
135.11726	4.9
143.08568	8.2
144.05722	1.5
144.09370	2.7
145.06485	5.2
145.10138	22.2
146.06001	5.6
147.08041	3.1
147.11694	18.3
148.05264	2.1
149.05983	1.3
149.09631	29.6
149.13283	19.0
157.10106	1.6
158.10913	13.2
160.05078	3.5
161.05879	1.8
161.09586	3.5
163.03961	2.3
163.07547	3.6
163.11172	5.0
163.14838	5.4
173.05896	1.3
173.09627	2.6
173.13275	40.0
176.04712	2.9
176.11987	1.6
191.03409	3.0
191.06960	11.4
191.10606	6.9
191.14325	100.0
192.62137	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01877	4.1
55.05505	2.7
57.07061	0.5
65.03943	0.7
67.05533	2.5
69.03423	3.7
69.07073	16.4
71.04981	0.8
71.35117	0.9
79.05507	4.8
81.03436	0.5
81.07065	3.1
83.04995	2.6
83.08615	1.1
88.24059	0.4
90.75909	0.5
91.05489	8.7
93.07051	17.0
94.46810	0.4
95.04986	1.2
95.08617	3.7
97.06529	2.4
103.05432	0.8
105.07030	9.0
105.10236	0.5
107.04955	0.8
107.07873	0.9
107.08602	15.5
109.06548	2.2
109.10196	2.5
111.08117	0.8
115.05474	1.3
116.06245	0.7
117.07018	3.6
118.04149	0.7
119.07793	0.7
119.08584	5.8
121.06517	17.0
121.09332	0.8
121.10152	11.1
122.07323	0.4
123.08094	2.8
129.07002	1.5
130.07771	1.0
131.04942	1.1
131.08585	9.3
133.10138	9.9
135.04401	0.4
135.08061	12.6
135.11714	3.4
137.09631	1.5
142.87892	0.4
143.08568	2.4
144.09256	0.9
145.06480	0.7
145.10130	7.1
147.08110	0.5
147.11696	25.1
148.05228	0.8
149.05957	0.9
149.09653	3.6
149.13252	9.1
150.10397	1.5
158.10927	3.2
161.09622	6.9
163.07535	1.1
163.11189	2.2
163.14804	1.9
173.09605	1.7
173.13280	13.0
176.08278	0.9
176.11990	1.6
191.03421	1.3
191.07013	2.8
191.10741	7.0
191.14320	100.0
192.14639	1.1
211.96732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01878	3.1
55.05513	8.7
57.03415	2.7
57.07061	3.0
67.05497	7.9
69.03432	27.7
69.07071	10.3
71.15403	3.6
79.05502	35.8
79.05948	1.4
81.07059	30.8
83.04971	12.9
83.08611	2.3
91.05486	20.6
93.07045	19.6
95.04928	4.4
95.08610	9.7
102.71828	1.9
103.05469	3.4
104.14379	1.6
105.07035	28.5
107.04962	21.0
107.07884	3.8
107.08607	60.9
109.06503	6.6
109.10171	10.1
115.05441	2.3
117.07032	3.8
119.08604	13.8
121.06506	13.1
121.10151	24.7
123.08064	4.4
128.06218	1.9
129.07004	4.4
131.04982	2.7
131.08577	17.1
133.10141	100.0
135.08064	15.6
135.11696	8.1
137.09599	17.6
143.08586	6.2
144.09283	2.0
145.10135	13.7
147.11736	11.0
149.09598	6.6
149.13251	17.7
158.10902	11.6
163.14839	3.3
168.65480	1.8
173.13268	34.3
191.03369	2.2
191.06966	5.4
191.10686	6.8
191.14319	84.6
191.16071	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	191.1068
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
52.07310	0.7
53.03950	2.4
53.27185	0.6
55.01877	8.8
55.05517	3.3
57.03441	1.6
63.16518	0.9
65.03942	1.6
67.05511	21.6
67.27786	0.7
69.03423	3.9
69.07056	4.1
69.90491	2.8
71.05007	2.2
73.02916	0.8
77.03947	1.0
79.05498	29.1
81.03426	1.0
81.07061	15.1
83.04986	3.7
91.04906	1.0
91.05486	25.9
93.07050	36.4
94.30819	0.7
95.04979	11.2
95.08611	3.3
97.06544	11.8
103.05471	2.7
105.07041	16.9
107.04967	19.0
107.08603	23.8
109.06522	5.9
109.10157	1.6
111.04469	2.3
115.05472	2.0
117.07021	16.5
119.08589	18.2
119.10833	0.8
121.06511	10.3
121.10154	24.4
121.11022	1.2
122.07281	0.8
123.08055	4.2
128.06160	1.3
129.06998	7.1
130.07791	4.7
131.04948	3.7
131.08582	27.8
132.08965	1.0
133.06494	0.8
133.10117	8.7
135.04446	1.6
135.08063	19.0
135.11703	22.9
135.12729	1.4
137.09624	1.0
143.08583	2.4
145.06511	5.7
145.10135	42.9
146.10522	1.0
147.08049	9.7
147.11725	3.6
148.05247	0.9
149.09627	9.9
149.13210	1.4
150.03783	0.8
153.06952	1.4
155.08575	8.5
158.10936	0.9
161.06030	1.0
163.03961	2.1
163.11194	100.0
164.11574	1.4
173.09639	25.6
173.13266	5.5
176.08345	2.2
181.12224	1.5
191.03473	3.5
191.07040	3.1
191.10684	87.5
191.14325	13.9
192.10916	1.3
193.39613	0.8
206.14763	0.8
210.95566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1068
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
52.69109	0.5
52.88327	0.6
53.03936	1.9
55.01879	4.4
55.05515	3.4
57.03423	0.7
57.07081	0.8
64.37764	0.5
64.98727	0.5
65.03944	1.3
67.05184	0.7
67.05508	9.0
67.55420	0.5
68.99782	0.6
69.03444	4.2
69.07076	4.4
69.27455	1.1
69.27866	4.2
71.04977	1.9
77.03926	0.6
79.05499	15.4
81.03401	0.8
81.07065	8.8
82.55376	0.5
83.01311	1.7
83.04990	4.4
83.08601	1.1
85.06532	0.9
91.05487	16.7
93.07056	16.8
95.04980	5.8
95.08614	4.2
97.06544	3.7
98.21535	1.0
99.04469	0.7
102.04671	1.1
103.05474	8.7
105.03384	1.4
105.04530	0.7
105.07039	15.1
107.04966	7.8
107.08604	17.1
109.02878	1.3
109.06533	5.3
109.10155	5.8
111.04453	5.8
111.62726	0.6
115.05475	2.5
116.06254	1.4
117.07024	8.9
118.04159	2.4
118.06533	0.8
119.04950	1.3
119.08594	10.4
120.08078	0.6
121.02926	0.6
121.06520	10.2
121.10153	13.0
122.07310	1.3
123.04473	0.5
123.08072	4.5
123.11749	0.8
128.06233	1.4
129.07014	5.6
130.04153	1.6
130.07794	4.8
131.04948	6.1
131.08586	14.8
132.05685	0.9
133.02859	1.1
133.06471	1.9
133.10136	9.7
135.04434	2.2
135.08064	38.8
135.11671	9.2
137.05989	0.9
137.09622	1.3
143.08594	2.4
144.09283	0.7
145.06490	3.2
145.10135	25.8
146.03651	0.7
146.05992	1.0
147.04416	0.9
147.08057	4.5
147.11700	4.9
148.05208	5.0
148.08821	1.1
149.05963	1.5
149.09608	7.6
149.13243	2.9
154.07747	0.6
155.06029	0.7
155.08575	5.7
158.07301	4.0
158.10941	2.6
159.04474	0.6
161.06003	4.6
161.09630	1.3
163.03937	3.6
163.07552	5.1
163.11197	38.1
163.14832	1.2
164.11507	0.6
173.05962	1.3
173.08119	1.2
173.09636	25.2
173.13242	9.1
175.07588	0.6
176.04698	2.3
176.08342	15.5
191.03400	6.3
191.07062	10.0
191.10683	100.0
191.14297	28.1
191.17947	2.0
192.06580	1.0
192.11212	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1068
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
55.01871	1.0
55.05504	2.3
57.03430	0.6
65.96590	0.7
67.05491	3.0
69.03421	3.8
69.07064	1.7
70.41090	2.1
70.41430	0.7
79.05494	3.8
81.07053	2.3
83.01344	1.4
83.04975	2.7
91.05484	9.1
93.07047	5.1
95.04967	2.9
95.08605	3.1
97.06545	0.8
103.05443	1.6
105.07042	10.2
107.04948	2.6
107.08601	8.4
109.02887	1.1
109.06508	2.9
109.10151	3.2
111.04447	6.1
115.05446	1.7
117.06999	4.2
118.06546	1.3
119.06134	0.8
119.08594	4.6
121.06512	7.9
121.10146	4.9
122.07285	2.4
123.08061	3.0
128.06236	1.3
129.06996	2.0
130.07820	3.3
131.08574	6.6
133.07553	0.8
133.10141	5.6
134.06017	0.8
135.08061	59.4
135.11684	3.0
136.08437	0.9
137.05965	0.9
143.08513	1.9
145.06480	0.8
145.10132	13.4
147.08023	2.5
147.11694	1.2
148.08733	1.0
149.05971	2.5
149.09627	4.9
149.13263	1.9
151.07533	1.1
155.08548	2.2
158.07260	6.8
158.10953	1.1
161.06015	5.1
161.09634	0.9
163.03891	0.8
163.07527	1.7
163.11189	16.8
170.35522	0.7
173.09634	21.0
173.13252	5.8
175.07498	1.0
176.08337	16.4
191.03331	1.9
191.07030	2.6
191.10674	100.0
191.14288	13.7
192.06519	2.0
192.10086	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1261
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99064	1.4
51.85682	0.4
55.01879	0.4
55.05492	0.5
55.48080	0.4
57.07079	23.9
59.99115	5.1
61.26455	0.5
65.03888	0.4
67.05487	0.8
69.03374	0.5
69.07030	0.5
70.06556	0.5
70.16635	0.4
70.16971	1.8
76.26584	0.4
78.00159	39.5
79.05495	0.9
80.03960	0.4
80.05036	0.4
81.07088	0.5
84.08183	0.8
86.09227	0.7
86.09712	9.3
88.02175	0.6
91.05467	1.8
92.01696	1.3
93.07047	0.8
98.21468	0.5
103.05479	0.7
105.07037	1.3
106.64802	0.4
107.08581	1.0
116.05344	0.8
117.07027	0.9
118.06551	1.0
119.08585	1.0
120.08927	0.8
121.06490	0.5
121.10107	0.9
123.70220	0.4
127.57997	0.4
130.06540	1.0
131.04970	0.5
131.08575	0.8
133.10083	0.6
134.06358	44.1
134.10455	0.6
135.08025	2.0
144.08119	0.9
144.10143	0.7
145.10139	1.7
147.04411	1.5
147.08061	0.4
147.11722	0.7
148.07863	2.6
149.02367	1.4
149.09679	0.8
160.05118	0.5
162.05533	1.1
163.11182	1.9
165.86464	0.4
172.07565	0.6
173.09625	1.4
173.13197	0.5
175.03944	0.6
176.08321	0.8
190.04951	1.3
190.06279	1.9
190.08946	2.6
190.12617	100.0
191.07048	1.3
191.10693	5.3
191.12845	1.0
191.14363	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1069
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
55.05516	1.5
56.01384	1.1
56.05027	1.1
58.75330	0.7
65.03945	1.0
67.05513	2.2
68.05002	1.4
69.03422	3.2
69.07021	0.9
69.74854	3.7
79.05514	3.5
79.08134	0.7
80.05023	0.9
81.04528	2.2
81.07047	1.6
83.01327	1.0
83.04994	1.1
84.05628	0.9
91.05492	6.4
93.07056	3.8
95.06087	1.1
95.08620	1.6
98.20717	0.8
103.05453	0.8
105.07037	8.2
106.06582	0.9
107.04923	1.3
107.08601	6.4
108.05608	1.2
109.03989	2.0
109.06531	0.9
109.07644	2.1
110.07180	2.1
110.08410	1.0
111.04465	6.2
111.07951	0.8
111.09222	1.3
115.05473	1.8
117.07023	3.5
119.08591	4.5
121.06528	8.9
121.10155	3.4
122.07240	2.9
123.08093	1.7
124.08697	0.9
129.06985	0.9
130.07806	3.9
131.08594	2.1
133.06520	0.9
133.07611	1.6
133.10109	1.8
134.07191	0.9
135.08067	58.7
135.11676	2.5
136.08604	0.7
137.05994	2.0
145.10147	12.5
147.08035	2.6
147.11691	0.8
148.07727	0.7
148.08783	3.0
149.05994	1.6
149.08221	4.0
149.09590	3.5
149.10648	0.8
150.08971	0.8
150.10254	2.0
151.09802	1.4
155.08527	2.6
158.07291	7.7
161.05960	5.9
161.09616	1.1
162.06738	1.1
163.07538	1.6
163.09865	1.6
163.11205	18.4
173.09647	18.8
173.13304	1.4
174.10236	1.0
175.07568	1.1
175.09802	0.9
176.08345	17.5
191.10674	100.0
191.14211	6.2
192.06555	1.1
192.10922	1.3
192.12524	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93108	0.7
55.01899	2.1
55.05530	1.5
56.05050	1.6
56.05894	0.6
56.96575	1.7
57.03443	3.9
58.06606	4.9
59.05004	5.7
60.04545	1.1
60.08194	2.2
61.02952	0.8
64.31602	0.6
67.05514	1.2
68.05037	5.9
68.05340	0.6
69.03430	8.2
70.06603	7.8
70.99298	1.8
71.01366	1.4
71.05025	2.1
73.01176	1.3
73.02947	2.0
73.08505	1.1
74.03281	0.8
74.07210	0.9
75.00750	0.7
76.02253	1.5
76.73158	0.6
79.05508	0.9
80.05043	2.6
81.03431	1.1
81.07067	0.7
82.06593	6.3
83.06919	5.7
84.04519	3.6
84.07290	1.0
84.08136	5.8
85.02935	2.5
85.05334	0.7
85.08468	3.7
86.06074	53.9
87.04486	1.2
88.04033	1.5
90.77601	0.7
94.52737	0.7
96.04532	0.6
97.02905	1.0
97.06572	0.9
98.06070	3.1
98.09705	1.9
98.97625	0.9
100.07619	5.0
101.00990	1.2
101.01746	8.1
101.02372	1.2
102.02728	1.5
102.64418	0.8
108.08134	6.1
109.02895	0.9
109.08916	2.4
110.09702	5.6
111.00775	0.7
111.02940	0.7
112.07650	0.9
114.05554	1.6
115.03935	1.2
116.04283	2.0
116.07128	1.1
119.01678	4.2
126.03487	0.7
126.05516	2.3
126.09169	56.9
127.09505	0.9
128.07097	7.2
128.98656	0.8
129.07484	1.0
130.05037	3.9
130.08640	1.1
131.01917	1.0
131.08969	2.0
132.06563	1.9
133.03487	0.8
136.07576	3.2
144.04860	1.0
144.06555	7.3
144.10214	100.0
145.10634	1.0
147.02237	3.8
154.08659	17.4
157.03470	2.2
158.01685	2.5
167.01939	1.0
172.09705	77.3
185.02989	4.5
190.05002	1.5
190.10732	84.4
190.14287	3.5
191.11087	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1074
Annotation	(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate
Peak:m/z	Relative Intensity
55.05503	1.3
58.06594	3.9
59.05003	6.5
61.16402	0.7
68.05022	4.2
69.03429	4.2
69.94592	3.1
70.06589	7.6
71.04990	1.3
79.85310	0.7
80.05017	1.3
82.06577	2.4
83.06915	1.0
84.04488	2.2
84.08134	4.5
85.08461	1.6
86.06071	53.0
87.06400	1.0
93.85558	0.7
98.20863	1.3
99.61829	0.8
100.07602	1.9
107.08640	0.9
108.08116	6.2
109.08906	1.9
110.09682	5.8
112.07555	1.7
114.05533	2.5
119.01665	2.4
126.09161	51.2
127.09482	1.8
128.07074	2.8
130.05042	1.5
130.08620	0.9
132.06554	2.0
136.07564	3.7
144.10202	100.0
144.75125	0.8
145.10558	1.1
154.08630	15.6
172.09694	69.8
173.10057	1.3
190.10741	81.6
191.11151	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.05520	5.1
57.07076	1.4
66.54996	0.7
67.05495	2.5
69.03418	3.1
69.07055	2.4
79.05509	4.7
81.03409	1.0
81.07073	5.0
83.04971	3.2
91.04977	1.3
91.05486	13.7
93.07049	3.6
95.04955	1.8
95.08565	1.4
103.05484	2.8
105.07040	23.7
107.04944	2.6
107.08612	5.1
109.06469	1.8
115.05433	2.2
117.07051	4.2
119.04928	2.4
119.08586	35.3
121.06511	2.5
121.10163	4.8
123.08098	1.1
128.06233	5.7
129.07011	8.3
130.07762	1.4
131.04929	2.1
131.08559	7.7
133.06520	5.7
133.10138	38.7
135.08054	5.6
141.06992	8.7
142.07794	0.8
143.08582	9.4
144.09343	2.9
145.06451	4.3
145.10139	5.8
146.07222	3.7
146.10942	1.6
147.08060	19.6
147.11690	23.6
149.09621	3.1
155.08536	2.9
156.09354	44.2
157.06497	1.7
157.09906	1.0
159.08064	31.9
159.11694	11.2
160.08875	9.2
161.06017	10.3
161.09610	19.2
161.13257	19.9
171.11696	38.7
172.12100	1.2
173.09637	2.4
174.06970	3.9
174.10413	63.6
175.10783	1.5
187.11357	1.1
189.05435	2.5
189.09154	18.4
189.12750	100.0
189.16396	2.9
190.13062	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	190.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01860	0.5
56.96565	2.9
57.03422	0.8
57.07082	1.2
58.99863	0.7
64.84599	0.2
68.98299	0.2
69.03417	0.5
71.49865	0.5
71.95252	0.8
73.02905	0.3
77.00902	0.6
81.03400	1.1
82.01438	0.5
85.01421	0.6
85.02903	0.5
86.00938	0.3
86.01482	0.2
86.99302	0.3
97.01372	0.7
97.02886	0.3
98.97582	9.4
100.02483	1.7
101.00876	1.4
101.02628	0.3
102.00963	0.9
103.00630	0.2
103.02443	0.8
104.01942	0.5
104.02573	0.6
113.00877	0.4
115.02435	1.7
116.98615	6.1
117.98927	0.3
118.03502	0.6
119.01915	3.6
120.02017	2.1
121.01571	1.2
123.02894	0.3
127.02386	0.3
128.01996	0.5
129.00365	0.3
129.03081	0.2
129.03958	1.0
131.00151	0.5
131.01909	1.0
131.96211	0.3
133.03481	0.5
134.51755	0.3
134.99690	3.5
135.99940	0.9
137.03003	0.6
138.03023	0.6
139.02390	2.2
139.50865	0.4
141.03949	0.5
142.01109	0.3
142.03517	1.4
143.01917	0.3
144.02722	0.4
145.03471	1.7
146.02960	0.3
147.01418	0.3
147.05022	0.5
147.99876	0.5
148.05090	0.6
148.51468	0.3
148.99666	0.4
149.01004	1.6
149.99701	0.3
150.04118	0.2
151.01697	0.5
151.51529	0.3
155.01888	0.4
157.03465	5.3
158.03650	0.3
158.99797	0.3
159.05002	0.5
161.03053	0.3
161.99834	0.3
162.03122	0.4
163.04564	0.3
164.04027	0.3
166.03468	0.3
167.01910	13.2
167.59694	0.7
168.02101	0.3
168.05046	1.0
172.02823	0.3
175.04510	0.7
177.00931	1.1
178.01105	0.3
179.10506	0.4
185.02962	100.0
186.03165	3.3
186.97612	0.5
187.03477	0.6
190.03712	1.2
190.06042	0.7
190.08768	0.4
195.98271	0.5
201.00977	0.5
203.04018	16.5
204.04306	0.3
208.04575	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	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01868	1.8
55.05518	3.6
57.07063	1.8
64.91733	0.5
65.03957	0.5
67.05506	3.6
69.03433	3.5
69.07082	3.2
69.85301	2.8
74.84159	0.5
79.05500	5.3
81.03418	1.6
81.07054	5.8
82.06550	0.7
83.04984	2.4
84.08162	0.8
85.02898	0.7
91.05488	15.2
93.07065	4.3
95.04998	2.8
95.08594	1.7
96.01564	0.5
98.20780	0.6
103.05455	1.9
105.03410	0.7
105.07037	27.3
107.04995	2.5
107.08619	5.5
107.46587	0.5
109.06512	2.7
111.04417	0.7
115.05488	3.5
116.06242	1.3
117.07024	7.2
119.04926	2.0
119.08591	36.7
121.02708	0.7
121.06535	3.6
121.10149	3.6
128.06236	7.4
129.07024	9.4
130.06555	1.0
130.07776	1.6
131.04906	2.4
131.08585	8.3
132.05687	1.2
133.06516	7.0
133.10139	39.0
134.10468	0.7
135.08066	5.6
141.06999	7.5
142.07733	1.7
143.08572	9.3
144.05702	1.4
144.08104	0.9
144.09335	2.1
144.75285	0.6
145.06497	5.2
145.10132	6.7
146.07268	4.3
146.10905	2.3
147.04417	1.5
147.08054	17.8
147.11694	23.6
148.05173	1.5
149.09612	3.0
155.06012	1.3
155.08574	2.5
156.09358	47.3
157.06496	2.2
157.09770	0.9
158.07297	0.9
159.08060	25.6
159.11707	12.0
160.08856	6.6
161.06003	9.6
161.09625	19.5
161.13263	21.9
162.09918	0.6
169.10069	0.7
171.11697	37.5
172.12044	1.4
173.09610	2.1
174.06863	4.2
174.10411	59.5
175.10745	1.1
185.08008	0.5
187.11194	0.9
189.05452	2.9
189.09140	19.2
189.12747	100.0
189.16258	3.4
190.13110	2.7
207.76476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25787	1.0
51.29240	0.9
53.03949	1.1
55.01883	6.8
55.05497	3.8
65.03949	1.8
67.05186	1.4
67.05511	15.9
69.03398	1.0
69.07060	4.6
70.95398	1.4
70.95721	2.0
79.05494	18.8
81.07066	9.0
88.51608	0.9
91.05485	89.1
92.05833	1.2
93.07045	8.9
95.04945	3.0
95.08601	4.9
97.06531	4.3
98.20747	1.1
103.05437	1.8
105.07040	31.9
106.83291	1.1
107.04936	3.8
107.08579	3.5
109.06524	2.3
115.05436	3.9
117.07021	15.1
119.08595	20.0
121.06538	5.0
121.10177	1.4
123.08041	1.5
128.06204	5.1
129.07013	35.1
130.07819	2.5
131.08562	5.1
133.06500	2.4
133.10156	15.0
134.83517	1.1
135.08105	1.6
141.06906	1.1
143.08568	19.8
143.09634	0.7
145.10135	25.3
147.08058	8.9
147.11678	11.1
156.09358	4.0
159.11656	1.5
161.09593	2.3
161.13275	13.2
169.10042	1.2
171.11699	48.2
172.12006	2.1
174.10397	1.1
189.05421	1.5
189.12743	100.0
189.16339	3.7
190.13089	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01870	1.2
55.05508	5.3
57.07061	1.3
61.56844	0.7
64.66957	0.7
65.02056	0.7
67.05489	3.5
69.03429	3.8
69.07071	3.6
70.76035	2.4
77.03931	1.2
79.05500	7.1
80.24220	0.6
81.03417	2.3
81.07053	4.8
82.06561	0.9
83.04977	3.2
91.05482	13.1
93.07047	4.3
93.07540	0.9
95.04990	1.6
95.08601	2.2
103.05455	1.8
105.03387	0.9
105.07037	26.4
107.04949	2.8
107.08620	3.7
109.06508	2.9
109.81129	0.7
115.05418	2.6
117.07049	4.6
119.04942	2.9
119.08586	38.1
121.06498	3.3
121.10188	4.1
128.06232	8.4
129.07018	7.0
130.07787	1.7
131.04930	2.0
131.08569	8.1
133.06509	7.5
133.10133	40.0
134.10468	0.8
135.08061	6.8
136.60207	0.7
141.06979	9.2
142.07782	1.5
143.08565	10.3
144.05598	1.1
144.09329	1.8
145.06502	6.7
145.10141	6.7
146.07242	4.9
146.10880	2.3
147.04425	2.2
147.06308	1.2
147.08064	19.0
147.11696	23.7
148.05171	1.4
148.08571	0.9
149.09589	3.4
155.06149	1.2
155.08546	3.4
156.09352	49.5
157.06454	1.9
158.07245	0.9
159.08060	33.4
159.11696	11.2
160.08849	7.9
161.05980	9.5
161.09621	21.8
161.11954	1.5
161.13257	16.9
171.06473	0.8
171.07979	1.4
171.11694	43.3
173.09636	2.7
174.06911	3.7
174.10406	69.7
175.10764	1.1
187.11244	1.2
189.05492	1.1
189.09138	18.5
189.12746	100.0
190.09410	1.3
190.13081	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70642	0.8
51.11309	0.9
51.82496	0.9
53.22884	0.8
55.05514	4.3
57.07065	1.1
67.05489	2.8
69.03424	2.8
69.07051	3.0
70.32990	2.2
79.05503	4.5
81.03416	1.2
81.07052	4.3
83.04974	2.2
91.05492	9.9
93.07047	3.2
95.04982	1.3
95.08584	1.5
102.65712	1.0
103.05492	1.2
105.07037	22.8
107.04935	2.3
107.08578	3.3
109.06505	2.5
115.05452	1.9
117.07029	4.2
119.04970	1.8
119.08589	34.7
120.08839	1.0
121.06514	1.3
121.10126	3.3
128.06213	3.1
129.07008	3.3
130.07794	1.5
131.08575	8.1
133.06540	4.0
133.10136	34.3
135.08064	7.0
141.06990	7.8
142.07767	1.0
143.08572	7.2
145.06468	3.7
145.10124	6.0
146.07225	1.4
146.10933	1.4
147.08054	17.1
147.11700	22.1
148.70659	0.8
149.09627	3.3
155.08534	2.7
156.09358	43.4
157.09763	1.8
159.08064	24.9
159.11711	10.0
160.08846	8.2
161.09630	8.3
161.13268	18.0
171.11693	36.0
173.09660	1.9
174.10408	61.0
175.10771	1.3
189.12743	100.0
190.13043	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00861	1.3
55.05500	1.8
69.03414	5.3
69.07081	1.7
69.37648	10.3
79.05483	2.0
80.76947	1.4
81.07040	1.6
82.06557	1.4
87.33656	1.3
91.05502	9.7
93.07029	1.4
95.04945	2.0
102.33819	1.2
105.06397	1.7
105.07038	17.4
107.08586	3.3
115.05437	1.6
117.07005	6.2
119.05000	1.6
119.08591	27.4
128.06233	7.3
129.06995	5.4
130.07771	5.8
131.08585	10.7
133.06493	3.3
133.10075	7.9
137.92609	1.5
141.07010	11.6
143.08589	9.7
144.09367	3.8
145.06497	1.6
145.10144	21.6
146.07253	2.2
146.10916	2.9
147.04364	3.5
147.08057	8.7
147.11705	18.7
155.08569	4.2
156.09357	63.4
159.08029	8.9
159.11699	12.4
161.05998	4.4
161.09604	6.4
161.13261	5.4
171.11694	76.5
174.06836	2.3
174.10402	12.7
189.09174	9.1
189.12747	100.0
190.13155	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.0
55.78302	1.5
69.03421	5.7
69.07057	1.8
70.65473	3.3
70.65820	2.6
79.05493	3.1
86.09743	3.2
86.92554	1.5
91.05481	13.3
93.07041	3.3
95.04938	2.1
103.05469	2.3
105.07038	19.4
107.04955	1.8
107.08591	3.4
115.05460	2.9
117.07013	5.8
119.08588	29.3
121.06510	4.1
121.10119	2.3
128.06248	7.3
129.07027	9.4
130.07784	6.0
131.04875	3.7
131.08594	9.6
133.06471	4.4
133.10109	10.2
141.06966	8.9
143.08575	9.0
145.06506	3.5
145.10127	21.1
146.07280	3.1
146.10910	2.2
147.04405	5.8
147.06351	1.8
147.08066	9.1
147.11687	20.1
155.08553	2.4
156.00984	1.4
156.09358	49.2
157.06493	1.7
159.08095	8.2
159.11668	11.2
160.08823	2.7
161.05960	10.4
161.09608	16.2
161.13257	6.0
169.36690	1.5
171.11696	62.8
172.11945	1.6
174.06798	2.3
174.10368	11.8
189.05470	3.1
189.09094	19.3
189.12753	100.0
190.13120	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	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
57.98832	0.6
64.65131	0.6
66.97163	0.6
69.29630	3.6
69.30039	1.0
91.05492	5.8
99.40940	0.6
115.05456	6.7
117.05752	2.1
117.07008	3.8
118.06550	67.5
119.06870	1.0
132.08153	0.6
142.06506	5.2
143.07315	11.7
144.04492	0.8
144.08099	25.3
146.06020	100.0
147.06331	1.5
155.06067	1.1
160.07628	1.1
170.06027	8.6
188.07077	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03934	1.5
55.01857	2.0
55.05495	3.1
57.03435	0.8
59.04970	0.8
65.03912	0.7
67.05491	2.7
68.15385	0.6
69.03426	3.4
69.06715	0.6
69.07059	3.8
69.07375	0.7
69.62541	1.3
69.62968	3.3
72.08137	0.8
78.04723	0.6
78.75043	0.7
79.05496	4.7
81.07050	3.7
82.06562	1.7
83.04958	1.3
83.08608	1.7
84.08139	1.2
85.02924	0.9
91.05487	25.3
93.07052	3.3
95.04962	1.6
95.08634	3.7
103.05461	4.2
105.03378	1.3
105.07028	28.7
107.04968	5.5
107.08615	3.9
109.06458	0.8
109.10110	1.3
115.05437	4.9
116.06220	2.6
117.07026	5.4
118.04167	1.0
118.06550	1.1
118.07767	1.1
119.04950	6.2
119.06834	1.5
119.08580	24.0
121.06498	8.8
121.10121	1.1
128.06227	16.0
129.07007	28.7
130.06512	1.2
130.07750	3.4
131.04945	11.7
131.08565	14.3
132.05728	0.9
133.02780	1.2
133.06496	6.7
133.10132	22.0
135.04411	2.4
135.08051	1.2
141.06978	2.5
143.06873	1.1
143.08549	8.3
144.05676	2.6
145.06470	6.9
145.10146	6.1
146.03593	1.2
146.06323	0.8
146.07271	18.1
146.10855	1.2
146.57541	0.8
147.04434	7.7
147.06352	3.0
147.08075	6.5
147.11685	14.8
148.04031	0.8
148.05200	10.5
149.09561	1.0
155.06009	1.9
155.08505	0.8
156.05684	1.4
156.09348	12.7
157.06500	9.2
157.07707	0.6
158.07234	1.4
159.04404	1.3
159.08083	6.2
159.11687	3.0
160.05223	1.5
160.08810	3.1
161.05988	60.6
161.09621	73.3
161.13239	7.5
162.09978	1.5
171.04413	0.7
171.06360	3.4
171.08060	3.4
171.11694	14.8
173.05977	1.1
174.06773	19.3
174.10393	7.6
174.14088	0.8
189.05627	3.2
189.09091	100.0
189.12704	31.3
189.16360	17.5
190.09412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66842	0.5
70.94892	0.5
70.95239	1.0
71.70433	0.5
91.05492	4.7
103.05439	0.6
114.25294	0.4
115.05441	4.3
116.05010	0.5
117.05762	1.4
117.07006	4.1
118.06549	63.3
132.08066	0.6
142.06544	6.3
143.07314	10.1
144.04425	0.9
144.08093	22.2
146.06017	100.0
147.06354	0.9
155.06018	0.7
160.07578	1.4
170.06015	8.3
188.07077	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	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03956	2.3
54.04551	1.1
55.05516	4.6
56.49558	0.9
56.93322	0.9
57.07062	3.8
65.03947	1.0
67.05502	10.7
69.03407	3.9
69.07053	4.2
70.06618	1.0
71.01347	1.2
71.08625	0.9
71.51208	1.2
73.46130	1.0
74.02428	1.6
74.86939	0.9
79.05499	7.9
80.04991	0.9
81.03421	4.5
81.07063	7.1
82.06585	30.7
82.07075	1.7
83.04920	1.3
83.08615	3.9
84.04495	3.1
85.02913	1.6
88.02230	10.6
91.05489	24.3
93.07054	7.5
95.08599	4.0
97.02878	1.1
103.05470	1.1
105.07034	24.3
107.04983	2.0
107.08571	3.7
109.02888	1.1
115.05444	6.3
116.06255	1.9
117.07018	20.9
119.08587	17.9
121.10155	3.2
128.06195	1.6
128.07085	2.5
129.07013	6.8
130.07848	5.0
131.04980	5.0
131.08572	67.7
133.10162	4.9
141.07002	1.7
141.10262	1.3
143.04898	2.0
143.08562	4.4
144.09322	4.2
145.06482	4.0
145.10130	100.0
146.05991	1.1
146.10558	1.9
154.07735	2.3
155.06006	1.0
157.10141	4.9
158.07265	1.4
158.10887	1.7
159.07024	3.1
159.08208	1.5
159.11707	17.1
168.19185	0.9
169.10121	2.7
170.08096	1.3
172.08847	1.3
172.12408	1.7
173.00835	4.4
187.02388	1.2
187.03876	10.7
187.11214	15.1
187.14827	97.5
187.22537	2.4
188.09142	1.3
188.15140	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1483
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.07811	0.8
55.05520	4.9
57.07080	5.7
67.05507	8.5
69.03445	1.8
69.07077	2.9
70.81890	2.1
71.01364	0.9
74.02464	0.8
79.05137	0.8
79.05506	7.2
81.03419	4.6
81.07056	6.4
82.06586	34.2
83.08613	3.2
84.04503	1.1
84.99512	0.8
85.02911	1.6
85.06580	0.9
85.99115	0.8
88.02213	7.1
91.05487	21.9
93.07049	6.8
95.04900	0.8
95.08617	5.6
99.04492	1.1
100.07621	1.4
103.05521	1.0
105.07038	22.6
107.08582	3.8
109.02831	1.0
109.10168	0.9
110.06048	0.8
115.05402	5.2
116.06246	1.6
117.07028	23.8
119.08589	16.6
121.10141	4.0
127.03949	1.1
127.05905	0.8
128.07124	5.2
129.06995	6.6
130.07808	3.9
131.04974	4.8
131.08578	66.7
132.08838	1.4
133.10152	5.3
141.10213	1.3
142.08620	1.5
143.04926	1.7
143.08585	4.6
143.09590	1.0
144.09377	1.3
145.10135	98.1
146.06087	0.8
146.10497	1.9
151.82788	0.8
153.17265	0.8
157.10179	1.0
158.10875	1.4
159.06985	2.3
159.11703	14.3
172.12485	1.0
173.00800	3.6
187.03873	10.4
187.11180	6.5
187.14833	100.0
187.22427	1.1
188.15234	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	187.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05516	7.5
56.05012	1.7
57.07078	4.7
67.05504	8.8
69.03438	2.3
69.07057	3.8
70.06567	1.3
71.01322	1.7
71.51462	1.0
74.02450	1.9
79.05497	6.1
80.40507	1.0
81.03406	4.1
81.07063	6.9
82.06581	53.5
83.08620	4.0
84.04498	2.1
85.02903	2.2
86.05630	1.0
88.02232	12.7
91.05483	23.9
93.07049	6.8
95.08608	4.3
99.00838	1.0
100.07620	2.2
103.05416	1.2
104.04034	1.3
105.07043	19.4
107.08577	3.2
109.02908	1.1
115.05405	5.9
116.06242	1.6
117.07024	21.6
117.72481	1.2
119.08590	17.5
121.10172	5.2
127.03847	1.0
128.07082	6.1
129.07014	4.8
130.07788	5.1
131.04919	5.5
131.08571	66.6
133.10156	5.4
139.91385	1.1
141.10197	2.7
142.08679	1.1
143.04887	1.8
143.08557	4.9
144.09317	2.4
145.10135	99.2
146.10535	2.2
157.10133	1.6
158.10947	1.4
159.06978	3.2
159.11703	12.6
163.37103	0.9
173.00803	3.7
187.03888	12.5
187.07635	1.5
187.11082	11.2
187.14824	100.0
187.22505	2.7
188.07126	1.4
188.15126	2.7
200.07289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.081
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
51.87061	0.6
53.03909	0.9
55.01830	1.6
55.05466	1.8
61.42665	0.6
62.01585	0.7
65.03897	1.0
66.27538	0.6
67.05447	3.5
68.99741	2.2
69.03365	2.0
69.07020	1.4
70.06520	1.9
71.04955	0.7
71.50259	1.1
71.50664	0.9
72.08149	6.2
75.04462	1.4
79.01857	3.7
79.05445	2.8
81.03371	1.8
81.06998	1.2
82.04144	2.2
83.04937	2.4
83.08578	1.5
85.02850	1.8
86.09706	9.7
89.03891	0.7
91.05443	1.5
93.03361	1.5
93.06982	2.8
95.01328	9.0
95.04967	4.2
95.08569	1.2
97.02844	1.7
97.06487	1.7
98.06068	0.8
98.09712	0.7
99.04424	1.2
105.07007	0.9
106.81146	0.6
107.01333	8.5
107.04918	0.8
107.08555	1.9
109.02837	2.8
110.03664	29.7
111.04446	8.7
111.08041	1.0
112.11192	0.6
114.05493	0.9
115.05369	0.7
117.03300	0.9
121.00762	0.8
121.06456	1.2
121.10135	0.9
123.04458	5.1
125.02348	6.6
125.05997	81.8
125.09557	1.3
126.03146	11.2
126.05493	1.5
126.06276	1.0
127.03928	6.5
128.06183	1.8
129.06987	2.2
134.03622	0.7
136.06213	3.1
139.03902	19.8
139.07504	2.3
139.11166	0.7
140.07071	1.2
141.05441	1.1
142.07756	1.9
143.03334	1.3
143.08568	0.9
145.02928	0.8
149.09549	0.7
153.01868	15.1
153.05472	100.0
154.06261	41.9
155.03418	3.7
155.06992	1.3
156.04103	1.1
157.06532	1.2
157.10104	2.4
162.07809	1.5
163.01938	1.6
164.98929	0.7
167.03426	2.7
167.07094	1.1
168.13861	2.2
169.84665	0.6
170.05779	6.5
170.10933	1.2
171.02922	2.8
181.02931	2.0
185.03023	0.8
185.04585	3.9
185.08142	24.8
185.09502	1.5
185.13155	1.9
203.93930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
54.49792	0.3
55.05513	6.3
56.05052	2.0
56.96573	1.0
60.04529	0.8
68.04330	0.3
70.03350	1.3
70.06616	0.7
72.53636	0.4
74.02458	3.1
80.05045	1.0
82.06586	100.0
83.06904	0.7
84.08160	0.4
98.06090	0.3
98.20944	0.4
98.97558	0.6
100.07626	2.8
101.65533	0.3
110.06122	0.6
119.01927	0.5
124.07621	0.3
124.11240	0.6
128.07097	11.8
141.10240	6.1
142.12328	0.4
145.09738	4.3
170.08037	0.6
187.03871	0.5
187.10789	16.4
188.12776	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11356	0.2
55.05514	6.3
56.05036	2.0
60.04526	0.6
65.03941	0.2
67.04251	0.5
67.92564	0.2
70.06596	0.6
70.28881	0.3
70.29280	0.4
74.02448	3.5
74.74416	0.2
80.05023	0.8
82.06584	100.0
83.06927	0.5
86.06069	0.3
99.09130	0.2
100.07613	2.7
102.07955	0.2
110.06037	0.7
114.81901	0.2
124.07613	0.3
128.07089	11.4
141.10239	5.9
145.09737	5.0
164.36076	0.2
169.09738	0.3
170.08112	1.0
187.10791	17.2
188.11143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1078
Annotation	H-PRO-ALA-OH
Peak:m/z	Relative Intensity
53.03931	0.4
55.05513	7.3
56.05039	2.1
56.64215	0.2
56.99388	0.2
60.04528	0.8
63.27048	0.2
65.17841	0.2
67.04254	0.5
70.06608	0.4
70.71204	0.5
70.71570	0.5
72.90562	0.3
74.02443	3.5
80.05022	1.1
82.06582	100.0
83.06907	0.7
85.35371	0.2
91.45883	0.2
100.03966	0.3
100.07612	2.8
104.07606	0.3
110.06033	0.6
110.50742	0.2
128.07088	10.6
141.10237	5.1
145.09731	4.5
157.07417	0.3
169.09692	0.4
170.08084	1.5
187.10783	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	184.097
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
53.03943	2.0
53.56694	0.9
54.40490	0.9
55.01864	4.1
55.05499	3.0
56.05022	1.2
56.96569	9.4
57.03437	1.4
57.07066	4.0
60.08144	3.1
65.03930	2.8
65.92631	2.4
67.05505	17.3
68.05022	2.1
68.99775	3.6
69.03420	2.3
69.04567	1.2
69.07062	6.5
70.06594	9.3
70.95856	2.4
71.04993	2.4
71.07350	2.7
71.50690	1.1
71.95269	1.2
72.04503	1.4
72.08166	2.1
72.93768	1.7
73.02905	2.1
79.05480	3.5
80.05006	1.7
80.94952	4.3
81.03454	1.4
81.05789	1.1
81.07071	5.2
82.06569	3.4
83.04984	2.8
84.04496	3.6
84.08129	3.1
85.02891	1.5
85.06536	2.9
86.06087	1.1
86.09225	1.4
86.09711	19.5
91.05453	1.0
93.07041	1.5
94.06576	1.9
95.04964	28.1
95.08569	1.5
96.04479	4.7
96.05288	1.5
96.08136	15.0
97.02881	1.5
98.06026	1.6
98.98448	4.0
99.08069	1.3
100.03987	1.1
101.00871	8.1
101.95036	13.9
104.10719	1.4
106.03709	1.5
110.06040	3.7
110.06821	1.0
110.09654	2.6
111.04453	1.6
112.03960	1.4
112.07616	3.9
113.06013	7.0
114.05532	2.7
119.01925	27.1
119.96075	3.6
120.08105	2.4
121.97576	7.6
123.04457	2.6
124.03958	1.3
124.04769	2.2
124.07594	100.0
124.93931	1.7
125.00002	11.7
125.05908	1.2
125.07896	1.8
126.01508	1.5
126.03129	3.0
126.05505	2.2
130.08545	1.4
131.07031	2.3
136.07611	1.6
137.02962	8.2
137.97073	2.2
138.01788	1.0
138.05521	8.0
138.09151	12.8
138.12802	1.9
139.03862	3.2
140.07080	2.7
142.03481	8.8
142.04988	2.3
142.08644	20.2
142.94936	3.5
148.03973	1.2
150.03064	1.2
151.03923	1.6
153.01836	1.9
154.08676	1.1
156.02960	5.2
156.06505	2.4
156.10202	4.4
160.96091	5.0
161.02966	2.5
165.96567	5.0
166.05035	6.8
166.08630	16.3
173.01767	3.2
179.03995	3.9
183.97623	4.8
184.02483	4.7
184.03815	1.1
184.06010	4.3
184.07381	15.4
184.09691	70.0
184.13159	5.2
186.99162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40281	44.3
58.05713	40.6
71.41399	100.0
85.23369	51.0
120.02020	77.3
157.45906	55.4
163.82698	46.7
174.19696	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0446
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
51.02365	0.7
51.15867	0.6
52.03158	0.7
53.03945	1.7
55.01870	1.8
57.27058	0.6
60.04539	0.7
65.03931	1.6
67.05240	0.6
67.05512	6.5
67.53468	0.6
69.03436	2.9
69.07066	2.2
69.57025	4.0
70.06586	0.7
70.07401	1.9
79.01861	6.9
79.05499	0.7
81.03403	1.3
81.07050	0.9
95.04974	12.1
97.02924	3.0
97.06545	1.0
98.20805	0.8
105.03405	1.1
107.01322	38.6
107.08607	0.5
107.95723	0.6
108.02098	2.1
109.02898	2.6
111.04446	1.1
123.04437	19.0
125.02359	32.0
125.05952	0.9
125.08091	0.6
126.03143	60.1
127.03931	2.4
135.00793	5.6
136.06209	0.7
139.03932	0.7
141.05522	3.3
143.03392	3.0
153.01842	100.0
154.02182	1.9
157.06430	1.1
157.09920	0.8
167.03357	0.7
171.02890	13.3
181.02907	0.7
185.04477	7.2
185.05994	1.1
185.09930	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0969
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
52.17949	0.4
53.03967	0.4
55.01873	0.5
55.05517	0.8
56.96559	0.6
58.02972	2.4
58.06602	0.6
60.04221	0.9
60.04528	17.4
67.05506	2.9
69.03416	0.7
69.07071	100.0
70.07399	1.1
71.08634	2.8
71.49937	0.6
79.01863	1.0
79.05507	0.8
81.03436	0.6
81.07040	0.6
82.06570	0.7
83.08633	0.6
84.08157	0.5
85.02878	0.5
86.02432	14.1
86.06072	1.1
86.09740	1.0
91.05502	0.6
93.07082	0.7
95.04945	2.0
95.08594	0.7
96.04494	2.1
96.05365	0.6
96.08154	0.8
97.02906	0.7
97.06528	4.8
98.98441	0.5
100.07629	1.0
101.00876	0.6
101.95042	1.6
105.07030	0.4
106.42177	0.4
107.01315	4.9
109.02917	0.5
110.04855	0.4
110.06053	0.8
110.09686	1.5
110.10427	0.5
111.04412	0.5
111.08066	0.5
112.03981	0.7
114.05509	0.4
119.01918	0.9
121.06496	0.5
123.04420	2.6
124.04806	0.5
124.07595	0.6
124.99960	0.6
125.02357	5.4
125.09679	0.5
126.03140	8.2
127.03939	0.7
132.46086	0.4
135.00819	0.5
138.05493	1.1
138.09140	6.9
138.10123	0.8
143.03375	0.7
153.01839	14.4
156.02895	0.5
156.10213	4.3
166.08655	3.2
171.02893	1.4
172.56361	0.5
173.06569	0.5
184.06084	1.3
184.09692	28.1
185.04472	0.7
200.70038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
54.60769	0.4
54.94352	0.4
56.05039	1.5
56.96565	0.4
58.06615	1.1
60.08170	19.7
63.11549	0.4
66.09919	0.4
70.06591	0.9
71.07379	11.3
71.95271	1.5
80.05001	0.5
86.09712	100.0
87.10040	0.8
94.06576	0.7
98.06085	0.6
98.98477	19.1
101.95040	27.9
104.10757	3.9
105.03378	0.7
105.94665	0.4
106.03703	0.7
110.06041	0.7
110.09709	0.6
112.07568	0.6
117.36801	0.5
119.96078	11.5
121.08508	0.5
123.04483	0.4
124.07596	1.1
125.00016	79.8
125.40230	0.4
126.00380	0.5
126.05509	0.4
128.07094	0.5
136.50696	0.4
137.97105	6.1
138.05510	1.2
138.09148	1.4
139.55690	0.4
140.07086	0.7
142.97659	1.3
148.07614	0.5
155.98184	1.0
160.98697	2.7
166.08669	1.6
184.07359	94.1
184.09671	7.8
185.07666	0.6
185.09642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
50.10773	0.4
55.05508	0.6
56.05034	1.5
58.06607	0.6
59.07418	0.6
59.51932	0.4
60.08167	19.7
63.96221	0.5
67.05511	0.5
70.06593	1.0
70.25214	1.9
71.07375	11.2
71.95270	0.8
86.09708	100.0
87.10035	0.9
96.04501	0.7
98.06077	0.6
98.98472	17.0
101.95036	19.2
104.10741	3.3
106.03749	0.5
110.05976	0.6
113.04759	0.5
119.96073	7.5
124.07565	0.6
125.00008	80.1
126.00366	0.7
128.07121	0.6
129.06958	0.7
137.97130	3.7
138.05524	0.5
138.09146	1.0
142.97623	1.1
143.00980	0.6
143.08630	0.8
153.01845	0.9
155.98184	0.8
156.06480	0.7
156.08977	0.6
156.10123	0.6
160.98692	1.8
162.18970	0.4
166.08636	1.7
184.07349	92.8
184.09679	4.8
185.07594	0.7
185.13228	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1382
Annotation	Nordavanone
Peak:m/z	Relative Intensity
53.03938	5.0
55.01888	3.3
55.05514	12.1
57.03434	2.8
57.07087	8.0
59.04987	3.5
65.03948	2.0
67.05505	21.6
69.03429	38.4
69.07070	47.6
70.79883	4.1
71.04985	7.4
71.08627	3.3
72.08167	2.6
79.05133	1.5
79.05503	15.7
81.03399	8.1
81.07059	100.0
81.61610	1.5
83.04986	18.6
83.08611	4.1
84.08141	1.5
85.02917	1.8
85.06543	15.9
91.05480	6.0
93.07026	12.8
95.04975	20.4
95.08614	27.1
97.06548	10.1
98.98460	11.2
99.04459	25.8
99.05859	1.7
99.08096	43.2
100.03963	1.7
105.03396	16.9
105.04494	2.0
105.07021	11.5
107.08595	16.3
109.06513	23.5
109.10146	17.6
111.08074	6.0
113.06005	6.1
119.08588	8.3
121.10150	34.0
121.11031	1.8
123.04436	9.2
123.08070	17.5
123.11707	24.7
124.07595	1.8
125.09637	22.5
127.07504	8.6
135.11786	1.7
137.02350	20.2
137.06042	3.6
137.07927	4.5
137.09615	12.7
137.13258	8.1
139.11195	23.6
140.04700	3.3
141.09093	5.1
147.07942	1.5
147.11671	8.4
149.35355	1.4
155.07072	3.5
155.08212	1.4
155.08893	1.5
155.10649	1.7
165.01852	21.0
165.05579	2.2
165.07292	3.6
165.09096	3.7
165.12746	15.8
166.08623	2.2
183.01413	2.0
183.02925	22.4
183.06612	2.8
183.09160	28.9
183.11731	3.5
183.13792	36.6
184.09731	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	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92140	0.4
52.19988	0.4
53.03956	0.5
54.63480	0.5
55.01878	0.7
56.96568	1.7
57.03438	1.8
60.08154	1.2
68.51974	0.5
69.03423	1.3
69.88297	2.2
70.06589	2.0
71.07359	0.8
72.84492	0.5
73.02914	1.4
74.41248	0.4
81.03420	1.1
82.06592	1.5
82.99847	5.9
84.04517	0.7
85.02912	1.2
86.03725	0.6
86.09712	6.2
96.08110	1.3
97.02909	0.7
98.97576	0.6
98.98486	0.5
100.05243	0.5
101.00892	54.2
102.00977	1.5
103.00622	0.9
103.02353	0.6
104.10757	7.5
106.52787	0.5
110.01281	0.9
111.53036	0.7
115.02438	1.4
119.01932	100.0
120.01987	3.2
120.08109	0.8
123.18583	0.5
124.02456	3.7
125.00007	5.2
131.00154	0.6
131.01981	1.1
133.01657	0.6
133.03426	1.1
135.03180	0.6
137.02969	14.1
138.05504	1.2
142.03514	20.6
143.01921	2.9
143.03682	0.6
144.01973	0.7
155.01921	0.7
156.01936	0.7
157.03482	0.6
160.04547	3.6
161.02972	13.9
161.03975	0.6
162.03275	0.5
166.04942	0.7
166.08653	0.7
179.02420	0.4
179.04019	10.0
184.04564	1.2
184.06184	1.5
184.07562	4.3
184.09666	3.0
185.02936	0.8
202.05655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1381
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
53.03938	5.3
55.01875	3.4
55.05515	15.7
57.03431	3.8
57.07063	3.8
65.03938	2.5
65.25553	1.5
67.05508	34.0
68.05042	1.7
69.03435	1.9
69.06742	1.2
69.07074	16.0
71.05000	10.2
71.51079	2.0
73.06503	1.5
73.11955	1.4
74.21075	1.6
79.05498	13.8
81.03416	2.2
81.04360	1.2
81.07061	73.8
83.04986	6.0
83.08623	6.0
85.02895	2.5
85.06558	8.4
91.05491	19.4
92.02483	1.4
93.07056	11.7
95.04984	17.1
95.08612	17.7
96.04501	1.7
97.06540	6.5
98.98478	21.9
99.04455	3.4
99.08092	3.9
101.95054	8.9
105.03399	18.3
105.04513	2.4
105.06398	2.2
105.07040	27.8
107.08602	12.1
109.06503	6.5
109.10160	4.1
111.08077	3.8
112.07641	1.7
113.05978	1.8
115.05447	4.4
117.07024	12.7
119.08588	22.8
119.96076	2.6
121.10151	23.8
123.04450	8.7
123.08067	4.9
123.11713	43.5
127.01564	3.2
127.07559	2.8
129.07021	12.4
137.02353	2.1
137.05995	2.3
137.09637	1.9
137.13255	2.9
137.97034	1.6
140.04672	3.8
141.07001	100.0
142.07735	6.5
143.08574	2.0
147.11696	49.7
153.07022	5.3
154.07751	1.9
155.04778	1.4
155.07204	2.9
155.08557	41.7
165.01855	1.6
165.05492	1.8
165.08995	2.0
165.12779	21.9
168.09329	11.2
181.10155	2.1
183.06506	3.2
183.08063	3.2
183.09372	2.7
183.11702	51.8
183.13657	3.9
184.09723	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	182.0814
Annotation	3-azaniumyl-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
50.46038	1.6
53.03937	4.1
55.05510	3.2
58.02949	3.3
58.93258	1.6
58.99320	1.4
65.03936	5.8
65.60033	1.8
67.05509	19.7
67.92067	1.5
69.07064	5.5
69.46212	10.4
70.02934	2.4
79.05497	33.6
80.05013	5.3
81.06592	2.8
81.07060	42.5
82.06571	2.3
84.30032	1.5
86.02425	5.7
89.72333	1.8
91.05499	7.8
92.05006	2.6
93.05793	9.0
94.06566	11.7
94.55507	1.5
95.04988	9.2
96.04481	2.5
97.05309	1.7
97.06562	10.6
98.06068	2.1
98.09686	2.7
98.55586	1.6
100.82961	1.6
107.07322	4.7
108.04453	2.5
108.08121	61.2
109.06551	8.8
110.06033	4.7
118.06535	3.8
121.05251	3.2
122.06042	28.1
123.04401	3.4
125.06001	36.9
126.05527	32.6
126.09166	19.4
133.04459	1.6
136.07585	100.0
137.06029	3.2
138.05487	3.2
140.94484	1.7
152.07051	1.8
153.07899	3.1
154.08640	32.2
164.07083	96.3
182.08138	89.7
182.09750	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	182.0815
Annotation	3-azaniumyl-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
55.01870	0.9
55.05534	0.5
56.05049	0.5
56.96582	0.5
58.02961	0.7
58.06599	0.7
58.36594	0.4
65.03953	6.5
67.05511	93.3
68.05057	0.6
68.05831	0.8
69.03409	1.0
69.07075	12.1
69.51665	1.4
69.52091	1.8
70.06618	0.4
75.64796	0.5
79.05502	1.2
80.05035	1.3
81.03432	1.0
81.07066	1.4
81.92335	0.4
82.06598	0.6
83.07346	1.0
84.08142	0.6
86.02433	2.1
86.06078	1.8
91.05505	2.6
93.05841	0.7
93.07056	0.8
94.06567	2.0
95.04977	100.0
96.05300	1.2
97.06513	1.0
98.06055	0.4
98.97599	0.9
98.98471	0.7
105.03403	1.0
108.04507	1.0
108.05251	0.6
108.08137	2.7
109.02889	0.8
109.06540	1.1
109.10114	0.5
110.06046	1.3
111.04479	0.7
112.07598	0.5
113.05999	2.0
116.98585	0.7
118.06535	0.8
119.04973	0.9
120.08105	0.9
121.06537	0.8
122.02390	0.5
122.06028	2.1
123.04429	1.4
124.07592	1.0
126.05507	0.5
126.09165	2.2
136.03882	0.7
136.04843	0.8
136.07590	14.9
137.05991	1.3
138.09128	3.0
140.03474	2.2
140.04402	0.4
140.07037	0.8
147.04475	0.5
154.04951	0.5
154.08641	17.8
164.01614	0.6
164.04231	1.3
164.07053	4.8
164.08292	0.8
165.05469	1.4
177.29527	0.4
180.56020	0.7
181.97905	0.5
181.99551	0.4
182.03024	0.4
182.04291	0.9
182.05450	1.6
182.08127	23.0
182.11726	1.8
182.15343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1541
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
52.18169	1.3
55.05506	9.6
57.03432	1.7
57.07076	2.6
58.02965	35.9
67.05508	21.0
69.07072	57.7
70.06580	2.8
70.10513	6.4
79.05479	5.6
81.07063	18.8
83.08620	7.8
84.08143	8.4
86.06080	1.7
91.05479	5.9
93.07059	9.6
94.06530	1.3
95.04943	1.7
95.08594	6.6
97.06530	4.9
98.06028	3.2
98.09706	3.5
98.21453	1.5
98.97588	2.7
100.07626	5.4
105.03349	1.9
105.07031	11.9
105.34972	1.4
107.08600	21.1
109.06548	2.9
109.10160	46.5
109.68077	1.6
112.07596	2.9
114.09187	14.6
115.11357	1.4
119.08508	1.7
121.10143	2.9
123.11712	7.8
126.09171	13.1
126.12758	2.0
133.10144	29.5
135.11711	18.9
136.07553	2.2
138.12787	22.1
147.11688	3.2
150.05846	1.4
151.11212	9.0
153.12747	12.9
154.08621	2.8
165.12721	3.0
182.08069	2.9
182.15410	100.0
183.15741	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.22398	0.8
55.01881	2.5
55.05505	2.3
57.07081	20.4
59.04995	2.8
67.05502	1.9
69.03412	1.5
69.07061	3.1
74.12424	0.9
79.05493	9.5
81.03429	5.8
81.07050	4.3
83.04990	51.4
85.06572	1.7
91.05466	5.3
93.07063	8.6
95.04975	16.3
95.08563	1.5
97.05938	1.3
97.06543	25.4
98.97600	7.2
105.07035	5.3
107.04951	2.8
107.08591	10.6
109.06496	1.8
109.54790	1.1
116.98608	2.8
117.07002	1.9
119.08613	5.1
120.05655	1.3
121.06496	3.1
121.10158	14.2
125.06003	64.0
128.10339	0.9
130.07776	3.2
134.99690	1.5
135.11681	5.8
139.08650	1.1
145.10144	9.5
154.08643	4.4
163.11195	100.0
164.11600	2.3
165.06985	3.8
166.07826	5.0
181.10152	7.6
181.12224	28.3
182.00909	1.5
182.08203	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
51.80621	1.0
53.03941	1.4
55.01874	1.7
55.05498	3.5
57.04554	3.1
57.07081	22.4
58.02950	1.0
59.04992	2.9
60.04194	1.3
69.03413	1.6
69.07058	3.1
70.06583	1.2
71.51434	1.4
75.14466	1.0
79.05496	7.5
81.03402	4.7
81.07043	5.5
83.04983	45.8
84.05276	1.2
87.72910	1.3
91.05455	2.3
93.07056	8.4
95.04974	17.2
95.06086	1.0
97.06538	23.8
97.07601	2.5
98.07190	2.0
98.97578	1.3
99.05586	17.2
105.07053	5.7
107.04955	3.0
107.08613	10.0
109.04021	1.6
110.07172	1.2
112.08718	1.5
113.08900	1.1
117.07019	2.7
118.30787	1.1
119.08584	3.5
121.06496	3.8
121.10157	13.0
122.07124	1.8
123.09274	1.5
125.06002	61.2
126.06335	1.4
130.07777	1.6
135.11699	6.0
138.10326	1.7
139.08774	2.0
139.09764	2.2
145.10133	9.5
163.03926	1.5
163.11185	100.0
164.11642	2.6
166.07802	1.4
181.08600	1.6
181.09776	1.5
181.10641	3.4
181.12209	28.7
181.14536	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.02384	0.4
53.03949	2.0
55.01876	3.6
55.05515	5.9
56.96567	1.7
57.03443	1.0
57.07074	1.2
58.60249	0.3
62.36025	0.4
65.03944	2.7
67.05514	8.8
69.03430	1.4
69.07074	2.6
69.66310	2.3
71.04987	1.1
77.03943	1.1
79.05498	39.9
81.03426	0.5
81.07063	20.6
82.04195	0.5
83.04983	3.7
83.08610	0.7
85.02912	1.7
85.06547	0.6
91.05489	10.7
93.03425	0.8
93.07050	57.4
94.07365	0.9
95.04989	4.0
95.08617	4.7
95.09174	0.6
97.02893	1.0
97.06534	2.7
98.20766	0.7
98.97593	12.2
98.98209	0.8
101.06002	0.4
103.05451	1.1
105.04542	1.1
105.07035	6.8
107.04989	2.3
107.08604	14.2
109.06510	0.9
109.10156	1.6
110.03677	0.8
110.09662	0.4
111.04452	1.5
111.08093	1.0
113.06014	1.8
116.98627	5.5
117.07039	3.0
119.08590	13.3
121.06525	9.3
121.10151	100.0
122.10493	1.4
123.04411	0.7
123.08057	1.0
125.02413	0.7
125.05991	3.3
134.99672	1.6
135.04427	1.4
135.08061	1.4
135.11700	18.3
136.07611	0.6
136.12035	0.6
137.05945	1.3
137.09590	0.5
137.16003	0.5
139.03891	0.5
139.07550	1.8
139.11243	0.5
145.10130	10.6
149.06001	0.6
153.05530	0.5
153.06822	0.4
153.12750	3.0
154.08652	1.2
155.80913	0.4
163.03958	1.6
163.11188	22.5
164.07025	0.6
166.07753	0.8
171.06493	0.5
181.01347	2.5
181.05020	5.9
181.06497	0.7
181.08699	0.9
181.10432	0.7
181.12216	7.0
195.17099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.07260	1.6
53.03936	1.9
55.01868	1.9
55.05499	2.9
56.96553	2.5
57.04581	2.0
57.07080	23.3
59.04991	3.6
67.05502	3.4
68.05050	1.9
69.03419	2.0
69.07066	4.6
71.51659	1.7
76.02519	1.4
79.05494	11.6
81.03416	7.7
81.07050	5.8
83.04983	48.7
91.05509	3.3
93.07044	9.4
95.04987	18.3
95.08638	2.3
97.06535	23.0
98.97579	12.2
99.05585	6.6
99.51220	1.7
105.07024	4.8
107.04941	3.2
107.06153	1.9
107.08577	14.4
111.08082	2.1
116.98637	7.4
117.07047	2.4
119.08611	3.7
121.06521	5.0
121.10130	13.2
125.06006	69.1
130.07785	2.8
134.99724	3.0
135.11702	7.2
145.10143	11.4
163.03876	2.8
163.11188	100.0
164.11656	3.9
165.07071	2.7
166.07736	2.1
167.08739	2.0
181.09967	3.4
181.12207	25.9
182.08128	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	181.1225
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.12949	0.7
53.03949	4.6
54.64405	0.9
55.01874	4.6
55.05512	11.6
56.96549	3.9
57.03421	2.5
57.07073	2.7
59.05017	4.4
65.03947	15.3
67.05511	16.9
68.99760	1.1
69.03436	19.1
69.07073	10.7
71.01352	0.8
71.04999	8.4
71.51098	0.8
71.95266	1.4
77.03934	2.3
79.01848	0.7
79.05496	41.3
81.03420	4.2
81.07058	12.2
82.04202	4.8
82.23384	0.8
83.04984	16.8
83.08623	14.9
85.02900	6.9
85.06521	2.0
91.05479	13.5
91.06015	1.0
93.03413	3.2
93.07050	36.9
94.68256	0.7
95.04983	13.8
95.08614	15.9
97.02901	12.4
97.06538	41.3
98.96942	1.3
98.97590	27.3
99.04477	1.0
103.05477	2.7
105.04528	2.1
105.07041	13.7
107.04969	7.4
107.08607	21.3
108.02102	2.9
108.08118	0.9
109.06531	3.1
109.10176	7.2
110.03664	5.1
111.04449	9.3
111.08083	7.0
116.98618	13.9
117.07017	2.4
119.04931	1.4
119.08572	7.8
121.06531	7.5
121.10152	95.1
122.07247	1.5
122.10487	1.4
123.00798	1.9
123.08075	100.0
124.08428	0.9
125.02386	0.9
125.06004	10.4
130.07822	1.1
133.07663	0.9
134.99667	5.3
135.04430	2.9
135.05388	1.0
135.08067	3.2
135.11699	19.2
136.07581	3.1
137.02414	1.1
137.05971	4.6
137.09625	12.8
138.03127	3.9
139.07550	1.7
139.11198	2.3
140.00337	0.9
142.02635	2.7
145.10124	11.6
149.05998	3.0
153.05513	2.3
153.12695	1.7
154.08611	1.6
163.03908	4.0
163.07542	1.1
163.09601	1.4
163.11191	19.3
171.06522	4.6
181.01431	4.6
181.04996	35.5
181.08621	3.6
181.10054	1.0
181.10457	1.2
181.12242	20.7
182.19064	1.7
203.17406	0.9
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	Unknow
Peak:m/z	Relative Intensity
50.72411	0.8
51.33020	0.9
52.05610	0.8
55.01877	1.9
55.05501	3.0
57.07078	23.2
59.04996	2.5
63.54137	0.8
67.05505	1.8
69.03426	1.2
69.07062	3.5
79.05491	9.5
81.03434	6.4
81.07068	5.3
82.07882	0.8
83.04986	50.6
85.06532	0.9
91.05466	3.4
93.07045	7.2
95.04972	17.0
95.08626	1.0
97.06539	23.9
98.97582	8.4
105.07043	4.5
107.04942	2.8
107.08593	12.5
116.98626	3.7
117.07007	2.4
119.08556	4.5
121.06506	3.5
121.10159	11.0
125.06003	64.7
130.07796	2.5
131.18637	0.9
134.99594	1.1
135.11711	6.6
140.00133	1.1
140.81068	0.9
145.10138	11.7
154.08632	1.6
162.60983	0.8
163.11189	100.0
164.11525	2.5
165.07031	1.3
166.07750	1.8
181.09911	1.7
181.10487	1.9
181.12239	28.4
182.08000	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03946	2.1
55.01870	1.6
55.05510	4.5
56.96547	1.4
57.03417	2.4
57.07082	22.3
59.04993	3.2
65.03953	4.0
67.05515	4.2
69.03416	3.2
69.07080	5.0
70.90038	2.3
71.05021	1.0
79.05499	12.3
81.03423	7.6
81.07063	7.6
82.04180	0.9
83.04988	49.6
83.08634	2.0
85.02901	3.0
85.06553	0.9
91.05480	6.8
93.03399	1.5
93.06496	1.2
93.07052	16.1
94.07381	0.8
95.04978	17.0
95.08625	4.0
97.02898	1.5
97.06543	25.9
98.97593	16.0
99.04468	1.4
103.05461	2.0
105.04509	1.3
105.07024	7.5
107.04951	3.8
107.08600	16.3
108.02066	0.8
109.06525	2.0
109.10133	1.4
110.03640	2.1
111.04490	1.4
111.46776	0.7
115.05450	1.1
116.98643	8.3
117.07010	2.9
119.04932	0.9
119.08596	5.3
121.06522	6.9
121.10157	22.5
123.08086	7.1
125.06003	63.9
126.06318	0.9
130.07796	2.8
134.99640	1.6
135.04376	1.1
135.08089	2.4
135.11707	8.4
136.07594	1.2
137.05954	3.5
137.09615	1.2
138.03120	1.0
139.11198	1.7
142.02580	0.7
145.10127	14.7
148.08800	1.1
149.05968	2.2
153.05482	1.3
153.09087	1.2
154.08632	1.4
160.23666	0.7
163.03925	3.1
163.11195	100.0
164.11543	1.8
171.06485	1.8
181.01381	2.3
181.04987	11.5
181.08612	2.9
181.12242	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03963	8.6
54.10582	1.6
55.01875	5.5
55.05515	26.6
56.96572	11.7
57.03445	16.0
57.07071	5.1
65.03941	4.1
67.05511	84.2
69.03446	3.5
69.07075	25.4
69.84119	5.1
71.01357	21.3
71.04995	6.6
71.95256	2.6
79.05499	81.3
81.03429	39.8
81.07066	48.8
83.04496	2.4
83.04993	45.8
83.08633	6.2
85.02912	3.1
85.06551	3.9
91.04913	2.3
91.05487	43.7
93.07052	83.4
95.04972	13.0
95.08603	16.2
97.06539	25.4
97.10181	3.3
98.97594	100.0
99.08086	3.6
105.07052	10.2
107.04974	9.7
107.08604	38.4
108.08090	2.0
109.06536	3.1
109.10144	7.3
111.08097	3.1
115.05454	2.1
116.21667	1.5
116.98634	49.8
117.07015	11.9
119.08604	24.0
121.06522	12.3
121.10155	34.6
125.06007	6.7
126.91840	1.6
130.07784	3.1
133.10167	4.2
134.99669	14.9
135.08098	6.6
135.11703	47.5
137.09636	7.6
140.00212	8.4
145.10143	21.7
154.08633	4.2
158.01282	3.5
163.03957	2.7
163.11194	29.9
181.04915	3.1
181.10707	3.0
181.12236	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03939	1.7
55.01869	1.2
55.05510	3.1
57.07077	22.1
59.04988	2.7
67.05508	2.1
69.03423	1.2
69.07055	3.2
73.59608	0.9
79.05489	8.3
81.03421	5.3
81.07058	4.7
83.04982	45.1
85.06536	1.1
85.94302	0.8
91.05473	3.7
93.07056	8.0
95.04970	18.4
97.06531	22.5
98.97583	8.6
105.07028	4.7
107.04938	1.3
107.08583	11.3
116.98620	4.4
117.07025	1.9
119.08572	4.0
121.06468	2.5
121.10140	11.5
125.05997	60.0
130.07791	1.4
134.99667	1.9
135.08070	1.3
135.09122	0.9
135.11708	5.3
145.10129	11.0
154.08578	2.0
163.11185	100.0
164.11508	3.2
165.06934	1.0
166.07710	2.1
181.10138	3.1
181.12230	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	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03938	1.8
55.01881	1.5
55.05515	35.3
56.96547	4.5
57.06831	1.3
57.07078	13.6
59.04978	1.4
62.75943	1.1
63.89388	1.1
65.03947	2.0
65.80911	1.2
67.05502	12.7
69.03423	3.5
69.07072	6.6
70.83465	2.1
71.04977	2.2
71.95274	1.7
79.05157	1.0
79.05507	12.0
81.03414	1.5
81.07063	14.3
83.04984	24.6
83.07338	1.3
83.08626	2.5
85.06545	5.9
91.05487	11.2
93.07051	23.9
94.11307	1.1
95.04959	9.0
95.08070	1.6
95.08612	17.4
97.06525	14.7
98.97591	56.1
103.05534	1.6
105.07040	11.0
107.04948	3.4
107.07880	1.9
107.08601	38.1
109.06522	7.2
109.10135	3.2
111.04448	100.0
111.08074	7.3
112.04782	1.1
112.07546	1.4
113.05992	5.0
116.97326	1.2
116.98629	30.1
117.07014	3.5
119.05067	1.2
119.08556	5.1
121.06554	6.2
121.10160	10.8
122.07241	1.5
123.08076	2.8
125.06001	46.6
127.07546	4.0
130.07761	2.7
134.99641	11.4
135.04375	1.4
135.08075	24.1
135.11693	22.2
137.09586	1.3
138.06740	1.9
138.09169	1.2
139.07550	2.9
140.00191	3.9
143.08549	2.1
145.10129	19.5
153.05527	1.5
153.12747	3.7
154.08705	6.1
158.01297	2.5
163.03931	2.0
163.09682	2.2
163.11186	28.0
165.06926	1.3
171.53369	1.4
181.01256	1.2
181.04948	3.3
181.06364	1.8
181.10562	3.0
181.12221	26.7
181.15858	2.3
182.08113	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	8.6
54.10582	1.6
55.01875	5.5
55.05515	26.6
56.96572	11.7
57.03445	16.0
57.07071	5.1
65.03941	4.1
67.05511	84.2
69.03446	3.5
69.07075	25.4
69.84119	5.1
71.01357	21.3
71.04995	6.6
71.95256	2.6
79.05499	81.3
81.03429	39.8
81.07066	48.8
83.04496	2.4
83.04993	45.8
83.08633	6.2
85.02912	3.1
85.06551	3.9
91.04913	2.3
91.05487	43.7
93.07052	83.4
95.04972	13.0
95.08603	16.2
97.06539	25.4
97.10181	3.3
98.97594	100.0
99.08086	3.6
105.07052	10.2
107.04974	9.7
107.08604	38.4
108.08090	2.0
109.06536	3.1
109.10144	7.3
111.08097	3.1
115.05454	2.1
116.21667	1.5
116.98634	49.8
117.07015	11.9
119.08604	24.0
121.06522	12.3
121.10155	34.6
125.06007	6.7
126.91840	1.6
130.07784	3.1
133.10167	4.2
134.99669	14.9
135.08098	6.6
135.11703	47.5
137.09636	7.6
140.00212	8.4
145.10143	21.7
154.08633	4.2
158.01282	3.5
163.03957	2.7
163.11194	29.9
181.04915	3.1
181.10707	3.0
181.12236	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
55.01875	1.1
55.05504	2.1
56.96555	2.5
57.03420	0.9
57.07064	2.4
59.05000	3.9
64.33221	0.5
67.05516	3.7
69.03421	2.1
69.07066	4.1
70.70667	1.7
71.04970	0.6
71.95269	0.6
79.05501	7.7
81.07064	8.4
83.04971	1.8
83.08612	0.9
87.04457	0.6
91.05473	4.4
93.07046	19.3
93.07635	1.0
95.04960	1.4
95.08611	15.8
97.06536	2.3
98.96938	1.3
98.97588	26.3
105.07022	3.6
107.04939	2.3
107.08598	36.3
109.06513	1.4
109.10137	2.2
111.04456	2.0
111.08083	1.5
116.98628	10.8
117.07011	1.3
119.08605	4.4
121.06512	5.9
121.10143	20.4
123.08082	4.4
125.05972	4.2
134.99638	3.2
135.08125	1.1
135.11699	49.3
136.12039	0.7
137.13240	1.6
139.07542	8.1
140.00175	0.8
141.73250	0.5
145.10130	12.4
153.12730	2.2
163.03885	0.8
163.11188	33.3
164.11511	0.7
165.06911	0.6
166.07695	0.6
181.05011	1.4
181.12241	100.0
182.12601	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	181.0496
Annotation	m-Hydroxyphenylpyruvic acid
Peak:m/z	Relative Intensity
51.02378	0.3
53.03943	2.2
55.01871	1.6
56.96568	2.1
57.42510	0.3
62.68393	0.3
65.03953	2.3
67.05514	1.5
67.91943	0.3
68.99800	1.2
69.03445	1.4
69.07083	0.4
70.03823	0.6
70.04233	0.9
71.01380	0.4
71.05007	0.4
71.95266	0.5
77.03934	1.1
79.05494	10.8
81.03429	0.7
81.07074	0.6
82.04211	0.5
83.04995	0.6
85.02896	1.6
89.03923	5.1
91.05491	3.6
91.11653	0.3
93.07033	1.8
94.04202	0.5
95.04968	3.7
97.02898	1.1
97.06552	1.7
98.96941	0.7
98.97590	14.9
103.05479	1.3
105.04541	1.2
105.07031	0.4
107.04961	32.9
107.08614	1.0
108.02125	0.5
108.05252	0.5
108.08203	0.4
110.03655	0.6
111.00777	0.3
111.04458	1.1
112.55726	0.3
116.98627	8.7
117.03390	6.8
118.06585	0.4
119.04953	2.5
119.94156	0.3
119.97884	0.5
121.02901	0.4
121.06499	1.6
121.08404	0.4
122.03643	0.6
122.94275	0.3
123.00829	0.5
123.04430	2.9
125.05994	2.9
131.04918	0.4
134.99670	2.6
135.04422	52.5
135.08051	1.0
135.09091	0.6
135.66431	0.4
136.04773	0.7
136.07602	1.9
137.05975	7.7
139.03893	2.4
140.00197	0.4
145.02843	8.7
151.03929	2.4
151.07515	0.7
153.05478	18.3
153.10213	0.7
154.08681	1.6
163.03911	100.0
164.04269	1.5
164.07089	1.0
166.02589	0.4
181.01393	0.6
181.04953	22.7
181.08611	0.8
182.05411	0.3
182.08148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
53.03955	4.3
54.04725	1.0
55.01865	3.2
55.05502	3.1
56.96585	4.5
57.03421	1.5
65.03944	34.3
66.04266	0.8
67.05510	13.1
68.99802	1.6
69.03429	6.7
69.07047	1.2
69.62946	4.4
70.06577	1.2
71.05004	1.1
77.03924	1.4
78.04801	0.7
79.05494	5.6
81.03407	3.5
81.07020	1.1
82.00554	1.7
82.04208	17.4
83.01321	0.7
83.04979	1.9
83.08620	1.0
84.04467	0.9
85.02910	20.0
85.92562	0.7
89.03932	1.1
91.05473	5.5
93.03416	6.3
93.07055	4.4
95.04980	5.4
97.02880	3.4
97.06532	9.3
98.97587	30.8
101.05991	1.1
103.05466	1.6
105.04507	1.4
105.07046	1.5
107.04942	3.6
107.08585	2.7
108.02107	8.8
109.02849	1.1
109.06555	0.9
110.03665	16.1
111.04465	6.3
112.07674	1.0
116.98626	15.3
117.06971	1.0
119.04935	1.5
119.97845	0.8
121.02850	1.1
121.04052	0.9
121.06506	4.9
121.10162	1.5
123.00826	6.2
123.04422	2.0
125.02425	0.9
125.05979	7.5
134.04779	0.8
134.99675	5.6
135.04425	4.9
135.08060	3.2
135.11644	1.1
136.07579	1.9
137.02345	1.4
137.05969	4.0
138.03120	8.4
139.03914	2.8
139.07536	1.0
141.01842	1.0
142.02625	11.7
145.10155	1.0
149.06000	1.5
151.03925	2.1
153.05534	4.2
154.08636	2.4
156.04204	0.9
158.99605	1.6
163.03912	9.7
163.07516	1.4
163.09557	1.7
163.11124	1.2
163.96811	1.0
164.07066	1.9
170.02031	0.9
171.06541	12.5
181.04959	100.0
182.05174	2.8
182.08014	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
51.02380	0.5
53.03948	4.4
54.04731	0.7
55.01884	2.2
55.05505	1.5
56.96561	0.6
57.03434	1.2
57.07070	0.9
65.03944	35.7
67.05508	13.8
68.02636	0.8
68.99793	1.2
69.03429	5.2
69.07067	1.7
71.04998	0.7
77.03935	1.1
79.05504	4.2
81.03421	2.1
81.07066	2.7
82.00560	1.2
82.03820	0.6
82.04204	13.5
83.01341	0.5
83.04990	2.4
83.08611	0.5
85.02910	19.4
85.06544	0.5
91.05495	3.6
93.03407	6.4
93.07060	5.6
95.04968	6.1
95.08595	1.3
97.02898	2.4
97.06544	9.8
98.21484	0.8
98.97591	5.5
99.04459	0.8
101.02393	0.5
101.06040	0.5
103.05447	0.8
105.04502	1.5
105.07021	1.3
107.04941	1.6
107.08602	4.1
108.02099	9.6
110.02911	0.7
110.03667	14.4
111.04465	5.4
111.08072	0.6
114.03114	0.9
116.98632	3.0
117.07018	1.1
119.04946	0.5
119.08604	0.8
121.02916	0.5
121.03988	0.7
121.06541	3.0
121.09321	0.8
121.10151	6.9
122.06065	0.5
123.00800	5.7
123.08058	0.7
125.02354	1.0
125.05994	11.1
125.09638	0.6
129.05464	0.5
130.50429	0.4
134.99660	0.8
135.04428	1.7
135.08052	1.9
135.11713	2.9
136.07581	4.9
137.02322	1.9
137.05978	0.8
137.09613	1.0
138.03123	8.0
139.03906	1.7
139.09444	0.4
142.02626	10.7
145.10092	1.8
149.05975	2.1
153.05495	3.7
154.08615	1.0
157.05011	0.5
163.03896	2.0
163.07507	0.5
163.09776	0.9
163.11166	6.4
164.07028	2.1
170.02095	0.5
171.06522	11.4
181.04964	100.0
181.12151	2.9
182.05318	1.3
182.08092	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.4
51.02384	1.2
53.03961	0.6
55.01877	0.9
55.05511	1.0
56.96570	0.6
57.03442	0.4
57.07072	0.7
62.59755	0.2
65.03957	1.3
66.94576	0.3
67.05512	1.3
68.99805	0.2
69.03439	3.4
69.07076	0.8
71.04998	0.3
71.25810	0.4
72.74578	0.2
77.03934	0.3
79.01860	6.8
79.05503	2.0
80.13384	0.2
81.03430	0.3
81.07055	1.4
82.04195	0.7
83.01335	1.4
83.04978	1.1
83.08627	0.5
85.02916	1.3
91.05493	2.3
93.03416	0.3
93.07048	2.7
95.04964	1.5
95.08617	0.9
97.02900	39.9
97.06519	1.7
98.03220	0.3
98.97593	7.2
100.59772	0.2
103.05461	0.7
105.07052	0.5
107.01316	2.4
107.04971	1.0
107.08599	2.2
109.06522	0.5
109.10143	0.5
110.03689	0.7
111.04440	0.5
116.98637	4.3
119.04965	0.8
119.08580	0.7
121.03780	0.2
121.06528	1.1
121.10141	2.9
122.03704	0.3
123.00799	0.6
123.04428	0.4
123.08099	0.5
125.02364	33.1
125.05978	2.1
126.02693	0.3
134.99710	1.8
135.00716	0.3
135.04414	0.8
135.08081	0.6
135.11713	0.9
136.07646	0.3
137.05997	2.3
138.03159	0.4
139.03937	0.8
140.00209	0.5
142.02582	0.3
145.10132	0.7
149.06007	0.7
153.01865	2.2
153.05460	0.6
153.09108	0.3
163.03882	1.5
163.07549	0.5
163.08752	0.3
163.11185	3.0
164.07104	0.3
166.06316	0.3
171.06584	0.6
175.71448	0.2
181.01335	100.0
181.08395	1.1
181.12189	2.2
182.01717	1.6
199.52373	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0881
Annotation	1,3-Dimethylguanine
Peak:m/z	Relative Intensity
53.03946	0.3
55.02988	0.7
55.05500	0.3
56.96568	4.0
57.03426	0.5
61.02915	0.3
61.55754	0.3
69.03430	1.5
69.07067	0.6
70.99979	0.4
71.00327	0.6
71.04992	0.4
71.06110	2.2
71.95261	0.4
73.02908	0.6
73.23022	0.2
79.05494	0.4
81.03410	0.4
81.07027	0.4
82.04056	1.2
84.08121	0.5
85.02895	1.1
87.72006	0.3
88.04019	0.3
91.05488	0.6
93.07040	0.8
95.04975	0.4
97.02890	0.5
98.97591	8.8
99.04503	0.3
103.05447	0.4
107.04984	0.4
108.04458	0.3
109.02883	0.3
110.03536	17.4
110.97585	1.0
112.07613	0.9
116.98621	3.2
117.07014	1.1
120.08084	0.6
121.06518	3.9
122.05917	1.0
124.07641	0.3
128.04536	1.4
128.98599	0.4
134.06010	1.0
134.99666	0.9
135.02068	0.5
135.03032	7.2
135.06734	0.4
137.04620	0.4
137.06036	0.3
137.08234	5.5
138.05577	0.4
138.09169	0.7
141.02211	0.3
145.06519	1.5
147.05409	0.4
151.07512	0.4
152.07056	0.9
153.04088	5.8
162.07753	2.2
162.09142	2.2
163.03883	0.4
163.06226	0.5
163.07503	1.6
165.06461	1.8
173.02913	0.4
175.79399	0.3
177.03090	0.3
179.22423	0.3
180.08815	100.0
180.10117	4.3
181.04901	0.3
181.07210	0.6
181.09154	0.6
188.54907	0.5
192.08644	0.3
196.02850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1019
Annotation	N-Acetyltyramine
Peak:m/z	Relative Intensity
53.03943	0.5
55.01865	0.3
55.05516	0.3
56.96552	0.3
65.03937	0.8
67.05489	0.7
69.03429	1.2
70.06607	0.3
70.22769	0.3
71.04971	0.3
71.50574	0.2
71.50989	0.3
74.24974	0.2
79.05500	1.2
80.05026	0.3
81.03363	0.4
81.07056	0.2
82.06567	0.3
85.02916	0.2
88.67326	0.2
91.05483	1.8
93.07039	3.4
94.06576	0.3
95.04977	0.9
95.08605	0.3
96.04529	0.2
96.08146	0.4
97.02901	0.3
97.06545	0.4
98.97611	1.9
103.05472	7.8
105.04546	0.3
105.07033	0.5
106.06539	1.0
106.07256	0.3
107.04972	0.4
107.08597	0.4
108.04498	0.6
109.02861	0.2
110.06023	0.8
111.04464	0.2
112.07607	1.5
116.98626	1.0
117.07005	0.5
118.06505	0.2
119.07337	0.4
120.08106	100.0
121.06503	6.4
121.08430	2.1
124.04856	0.2
124.07574	0.3
125.05981	0.3
131.04964	1.2
134.06050	1.3
134.06940	0.3
134.09618	0.4
134.99710	0.3
135.08038	0.2
136.07596	0.7
137.06017	0.7
138.05511	0.6
138.09125	1.4
142.22166	0.2
145.06490	0.8
148.04752	0.3
152.07056	1.2
152.10712	0.3
162.05450	1.1
162.09132	4.2
163.03914	0.9
163.07555	1.3
180.03790	3.4
180.06546	6.7
180.10153	4.3
181.04977	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03952	6.5
55.01870	6.9
55.05512	29.1
57.03444	20.9
67.05518	24.7
69.03428	6.6
69.07066	14.6
69.37450	28.2
71.04983	3.7
77.03905	3.1
79.05482	27.1
81.07064	44.8
83.04974	9.5
83.08605	7.7
85.06522	5.1
91.05492	26.9
93.07053	50.6
95.04969	8.3
95.08613	42.0
96.07981	3.7
98.20759	6.2
99.79388	3.3
104.76005	3.2
105.03381	4.1
105.07015	35.1
107.08605	68.3
109.06528	67.5
109.10158	15.3
111.08051	4.4
119.04936	12.7
119.08591	40.3
121.06514	3.4
121.09339	5.1
121.10159	59.6
123.04435	13.1
123.08073	41.3
125.09648	25.8
126.01729	3.2
131.04997	3.3
133.02821	3.7
133.06491	5.0
133.10150	39.6
135.11676	30.1
137.06001	32.0
137.09631	13.8
137.13263	4.9
147.04427	23.1
151.03912	7.5
151.11209	4.3
158.29306	3.3
161.05931	3.7
161.09575	5.2
161.13266	85.8
175.66345	3.6
179.03412	46.7
179.07024	28.1
179.10701	9.3
179.14333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03934	6.5
55.01869	6.0
55.05511	27.8
56.96561	10.5
57.03444	15.2
57.07066	6.3
59.04994	4.8
67.05508	61.8
69.03429	10.6
69.07069	39.1
71.05001	11.7
71.51713	5.0
79.05069	3.0
79.05493	34.2
80.93505	2.1
81.03410	9.1
81.06596	4.3
81.07059	67.6
83.04981	13.6
83.08613	8.4
85.02924	4.0
89.03908	2.4
91.05489	27.0
93.06475	3.2
93.07045	34.2
94.06555	4.8
95.04978	26.1
95.06010	2.3
95.08608	100.0
96.08952	2.2
97.06518	4.7
97.96810	3.3
97.99207	2.8
101.66016	2.1
103.05474	5.1
104.98492	2.5
105.03391	5.0
105.07031	37.8
107.04903	2.5
107.08598	31.4
108.96919	2.0
109.02865	3.5
109.06520	24.3
109.10155	43.3
109.99819	2.1
110.01264	3.1
110.97569	3.2
111.08064	6.7
112.07599	4.0
115.97810	2.7
117.02045	5.0
117.06998	3.2
119.01788	3.4
119.04924	9.2
119.08586	33.9
120.08109	4.0
121.06527	11.6
121.10134	11.1
123.04430	23.6
123.08076	40.3
123.11708	6.1
128.52933	2.9
131.08546	3.9
133.02876	11.7
133.06544	4.2
133.10132	19.7
134.06056	3.7
135.04367	2.5
135.11676	10.8
136.02132	3.8
136.08810	2.5
137.05934	3.3
137.09619	26.7
137.13254	3.1
137.53314	2.4
138.09155	3.8
147.04402	12.4
151.03899	14.0
151.07521	3.4
151.11182	4.7
151.14821	7.0
161.05998	9.4
161.09615	3.8
161.13257	23.6
162.09181	10.3
179.03394	66.8
179.06444	23.6
179.08972	3.6
179.10670	9.1
179.11984	3.7
179.14310	69.5
180.06549	3.8
180.08003	3.2
180.10185	7.2
191.44276	2.1
199.34541	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03957	7.5
55.01876	10.4
55.05271	2.0
55.05515	29.8
57.03422	4.3
57.07059	3.3
63.16367	1.3
65.03932	4.6
65.51315	1.4
67.05508	93.7
69.03413	4.4
69.07076	15.4
71.04970	3.2
71.51918	1.5
71.98573	1.5
79.05495	67.1
81.03416	25.0
81.07059	100.0
83.04491	2.7
83.04982	37.5
83.08620	15.0
85.06531	5.5
91.05486	62.2
93.07047	49.1
95.04960	14.9
95.08607	76.2
96.36711	1.7
97.05921	2.6
97.06532	39.5
97.10169	4.1
99.08113	3.3
105.06400	2.2
105.07043	32.1
107.08607	9.7
108.08900	1.4
109.06516	9.8
109.10159	15.2
111.08081	9.9
112.07617	3.9
113.09656	7.3
117.06994	3.1
119.04932	4.3
119.08582	42.9
120.08128	1.5
121.06494	2.9
121.10139	7.5
123.04418	10.9
123.08060	6.5
130.52203	1.6
133.02872	3.5
133.06459	2.7
133.10132	27.1
135.01468	1.5
135.11713	9.0
136.02161	2.7
137.05983	2.0
137.09608	2.9
147.04402	5.4
151.03897	3.8
161.05980	3.0
161.09642	2.3
161.12157	2.1
161.13281	19.7
162.09143	6.1
164.04074	3.4
177.10262	1.5
179.03398	21.6
179.06409	14.9
179.08205	2.1
179.10657	3.9
179.11839	4.2
179.14313	66.6
180.06586	3.3
180.10211	4.0
180.14722	1.6
197.19972	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.31051	1.3
51.28044	1.5
53.03950	7.4
55.01882	11.5
55.05274	2.1
55.05515	27.2
56.96557	4.0
57.03421	4.1
57.07070	3.9
57.33323	1.3
58.22673	1.5
59.05010	1.5
59.42395	1.4
65.03938	5.6
67.05507	100.0
69.03422	5.2
69.07074	14.8
69.21886	5.9
69.22307	7.3
71.04977	2.8
79.05499	62.1
79.39433	1.2
81.03420	23.5
81.07061	91.7
83.04988	29.3
83.08624	13.7
84.90525	1.4
85.06527	2.8
89.03909	2.2
91.05488	57.5
93.06486	2.6
93.07048	42.2
95.04978	13.2
95.08610	66.3
97.06532	32.1
97.10154	1.9
98.97583	2.3
99.08138	2.0
105.03392	2.7
105.07034	30.1
107.08598	13.0
109.02881	1.4
109.06532	7.6
109.10165	13.4
111.08112	9.6
112.07594	2.2
113.09652	7.9
117.07000	4.1
119.04927	6.1
119.08585	29.0
120.08128	1.8
121.06493	5.4
121.10142	5.8
123.04422	14.5
123.08053	5.6
123.11721	2.9
124.07626	1.6
131.08554	2.4
133.02853	5.8
133.06500	2.4
133.10127	23.7
134.06003	1.6
135.04395	2.8
135.11716	8.3
137.06009	1.6
137.09610	3.3
138.05473	1.5
147.04436	7.9
151.03914	6.3
152.07053	2.5
159.11787	1.7
161.05992	3.8
161.09613	3.1
161.13243	15.9
162.09146	5.3
164.04129	2.2
179.03389	34.0
179.06432	12.2
179.08615	2.1
179.09181	2.4
179.10526	8.8
179.14304	47.4
180.06502	3.9
180.10187	4.0
197.49498	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1068
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03949	3.4
55.01879	4.6
55.05506	4.1
56.96572	1.0
57.07086	1.0
59.05001	2.6
65.03941	1.7
67.05505	14.7
68.99821	0.9
69.03431	9.8
69.07070	100.0
70.56908	2.1
70.57240	0.7
71.04998	2.1
77.03936	1.5
79.05500	13.8
81.03433	1.1
81.07059	21.9
83.04988	3.3
91.04910	1.4
91.05481	25.7
93.07043	15.3
94.06541	0.7
95.04975	12.6
95.08618	8.3
95.81190	0.7
97.06537	7.5
103.05481	2.5
105.03428	2.1
105.07037	38.5
107.04984	1.8
107.08602	26.3
108.05725	1.1
109.02888	1.0
109.06525	7.3
109.10137	6.6
111.04495	1.3
112.07598	1.2
115.05491	2.0
117.07035	3.5
119.04939	9.4
119.08578	11.7
120.08146	1.3
121.06484	4.5
121.10155	4.8
123.04433	11.2
123.08083	5.7
123.11718	5.9
128.06232	3.4
131.08604	3.2
133.02858	4.6
133.06549	4.3
133.10135	45.6
134.06050	1.2
135.04370	1.1
135.08092	4.9
135.11722	3.5
135.81683	0.7
136.05185	1.3
137.05992	9.6
137.09644	4.8
143.08557	5.6
146.03616	1.0
146.07318	2.5
147.04419	12.7
149.02373	1.7
151.03906	6.7
151.07565	3.0
151.11195	4.9
152.96494	0.9
161.06003	2.5
161.09618	19.2
161.13303	2.4
162.09200	2.4
164.04671	0.7
168.58614	1.0
179.03410	26.4
179.07074	14.5
179.08607	1.5
179.10672	13.7
179.14319	5.6
180.10278	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
50.37928	0.4
53.03939	0.6
55.01870	5.4
55.05512	2.0
56.96558	0.5
57.03426	1.0
62.48661	0.5
65.03938	1.7
67.05511	4.2
69.03429	1.6
69.07066	1.3
71.05009	0.7
71.50674	0.6
77.03920	1.0
79.05492	5.1
81.03374	0.8
81.07057	8.9
83.04986	1.3
89.03932	1.2
91.05485	17.7
93.07049	4.5
94.04197	1.0
94.06531	0.5
95.04971	5.4
95.08596	3.6
97.06556	0.8
103.05431	0.9
105.03391	3.0
105.07032	11.8
107.04945	1.3
107.08582	4.6
108.05743	0.8
109.02944	0.5
109.06519	3.9
109.10157	2.7
111.04404	0.5
112.07619	0.6
115.05470	1.0
117.07030	1.4
118.04176	0.6
119.04945	16.4
119.08585	7.0
120.08146	0.6
121.06508	3.0
121.10153	1.8
122.03629	3.7
123.04444	9.1
123.08089	2.5
123.11726	0.5
125.05962	0.7
128.06155	0.6
131.08545	1.3
133.02849	2.9
133.06505	5.1
133.10138	12.0
135.04431	1.4
135.08043	1.2
135.11687	0.8
136.05258	2.8
137.05980	85.1
137.09547	2.6
138.06271	1.1
143.08582	1.6
145.06473	0.6
146.03648	1.0
147.04430	13.4
151.03905	6.6
151.07558	4.4
151.11192	1.5
152.07047	0.8
161.02328	1.2
161.06009	4.2
161.09637	4.0
161.13295	2.4
162.09157	1.8
164.04697	12.0
164.06018	0.8
179.03474	18.2
179.07039	100.0
179.10487	7.7
179.14265	3.8
180.03711	0.5
180.07547	2.2
180.10191	0.7
186.34985	0.4
191.62863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37928	0.4
53.03939	0.6
55.01870	5.4
55.05512	2.0
56.96558	0.5
57.03426	1.0
62.48661	0.5
65.03938	1.7
67.05511	4.2
69.03429	1.6
69.07066	1.3
71.05009	0.7
71.50674	0.6
77.03920	1.0
79.05492	5.1
81.03374	0.8
81.07057	8.9
83.04986	1.3
89.03932	1.2
91.05485	17.7
93.07049	4.5
94.04197	1.0
94.06531	0.5
95.04971	5.4
95.08596	3.6
97.06556	0.8
103.05431	0.9
105.03391	3.0
105.07032	11.8
107.04945	1.3
107.08582	4.6
108.05743	0.8
109.02944	0.5
109.06519	3.9
109.10157	2.7
111.04404	0.5
112.07619	0.6
115.05470	1.0
117.07030	1.4
118.04176	0.6
119.04945	16.4
119.08585	7.0
120.08146	0.6
121.06508	3.0
121.10153	1.8
122.03629	3.7
123.04444	9.1
123.08089	2.5
123.11726	0.5
125.05962	0.7
128.06155	0.6
131.08545	1.3
133.02849	2.9
133.06505	5.1
133.10138	12.0
135.04431	1.4
135.08043	1.2
135.11687	0.8
136.05258	2.8
137.05980	85.1
137.09547	2.6
138.06271	1.1
143.08582	1.6
145.06473	0.6
146.03648	1.0
147.04430	13.4
151.03905	6.6
151.07558	4.4
151.11192	1.5
152.07047	0.8
161.02328	1.2
161.06009	4.2
161.09637	4.0
161.13295	2.4
162.09157	1.8
164.04697	12.0
164.06018	0.8
179.03474	18.2
179.07039	100.0
179.10487	7.7
179.14265	3.8
180.03711	0.5
180.07547	2.2
180.10191	0.7
186.34985	0.4
191.62863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0341
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
51.02390	0.5
53.03946	0.8
54.76863	0.3
55.01875	1.2
61.07468	0.3
67.05506	1.1
70.00748	1.2
76.02229	0.5
77.03925	1.3
79.05475	0.8
81.07055	1.0
83.05019	0.4
89.03931	2.2
91.05481	2.7
93.07048	0.6
95.04984	1.7
95.08609	0.5
102.21189	0.3
105.03394	4.6
105.04507	0.6
105.07039	2.3
107.04982	0.4
107.08617	0.9
109.02872	0.5
109.06512	0.4
117.03368	1.1
119.04951	1.9
119.08584	0.8
119.83067	0.2
121.06544	0.5
123.04439	41.2
124.04783	0.5
133.02864	28.5
133.06509	0.8
133.10126	2.5
135.04411	4.1
136.05229	0.4
137.05997	0.9
137.09660	0.4
147.03403	0.3
147.04443	2.9
151.03923	11.1
151.07562	0.4
161.02339	0.7
161.05936	0.8
161.09618	1.0
165.05472	0.5
179.03404	100.0
179.06790	3.7
179.10638	1.1
180.03735	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03942	4.8
55.01863	1.2
55.05519	12.5
57.07072	2.5
65.03920	2.3
67.05511	50.7
69.06787	1.1
69.07071	12.0
71.08632	1.8
74.38821	1.1
77.03930	1.3
79.05499	64.6
80.05831	1.1
81.07064	40.7
83.04988	1.3
83.08636	8.4
88.02240	1.1
89.03916	8.8
91.05486	19.3
93.07053	86.2
95.04982	4.9
95.08614	48.5
97.10177	3.7
98.98478	37.2
103.05457	2.3
105.04537	2.1
105.07040	8.2
105.89883	1.0
107.04957	1.4
107.08604	41.0
108.05283	1.0
109.06562	1.5
109.10165	18.4
113.48318	1.0
117.03394	13.3
117.07010	6.0
118.06570	1.5
118.22451	1.0
119.08563	3.0
119.15073	1.0
121.02845	1.7
121.06510	1.6
121.10152	100.0
122.10513	2.0
129.07082	1.1
131.04881	2.3
131.08569	7.6
133.10117	8.3
134.03636	3.4
135.04422	1.7
135.08060	2.0
135.10698	2.0
135.11699	32.6
145.02856	17.1
149.02350	5.8
149.05960	5.4
149.09650	2.5
149.13304	6.7
159.08040	1.3
159.11729	10.0
177.05443	13.2
177.06638	1.9
177.09116	3.5
177.10419	1.9
177.12773	20.0
177.16403	45.4
178.05000	1.2
178.08673	3.7
178.40456	1.1
178.84108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03957	8.8
55.01881	8.4
55.05509	22.2
55.08590	1.8
57.03452	8.4
57.03669	1.9
57.07062	3.9
60.85584	1.7
62.90631	1.8
63.02388	1.8
65.03930	4.2
67.05511	23.6
69.03413	6.5
69.06725	2.7
69.07074	34.2
71.04984	8.0
71.50902	2.3
71.51299	2.2
78.04722	4.0
79.05499	62.4
80.05014	2.2
81.03389	4.4
81.06597	2.6
81.07065	48.8
83.04969	7.3
83.05428	1.8
83.08625	13.2
83.65071	1.6
85.06549	3.6
88.02193	2.6
89.03921	28.9
91.04908	3.3
91.05483	63.3
93.07050	100.0
94.07377	3.1
95.04969	13.6
95.08614	26.0
97.06528	3.3
97.10155	1.8
98.98476	67.5
103.05459	7.8
105.04529	3.8
105.07035	50.5
106.04172	5.1
107.04975	13.0
107.08604	68.4
109.06548	13.8
109.10179	3.1
115.05458	5.9
116.06235	3.3
117.03385	45.6
117.06250	2.8
117.07024	40.2
119.04972	2.2
119.06011	3.0
119.08598	21.5
121.02879	4.0
121.06512	33.0
121.09325	3.0
121.10147	33.8
122.07319	1.7
126.67318	1.8
129.07005	10.4
130.07744	5.5
131.04903	4.9
131.08566	47.6
132.08104	2.2
133.06496	5.1
133.10146	16.9
134.03612	6.5
135.04440	6.1
135.08066	17.3
135.11693	13.9
141.77718	1.7
144.09344	12.7
145.02853	58.6
147.04413	2.0
148.08812	2.2
149.02350	9.1
149.05995	23.4
149.09660	13.1
149.13234	15.5
159.04463	3.6
159.08031	6.3
159.11700	40.4
162.03102	3.3
162.06859	2.3
163.03931	3.9
166.84889	2.3
177.05461	32.2
177.06699	2.0
177.09053	19.2
177.12750	78.6
177.16409	6.5
178.04970	2.4
178.08638	6.8
178.13110	4.2
186.05487	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	177.0912
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
50.80897	0.3
54.23293	0.3
55.01859	0.4
55.05494	0.9
63.02362	0.3
67.05494	0.8
69.03448	0.3
69.07050	1.1
70.07113	1.3
71.05835	0.3
78.04691	0.4
79.05518	1.6
81.07043	1.3
83.08616	0.7
85.37670	0.3
89.03919	2.3
91.05485	5.4
93.07051	3.4
95.04984	0.5
95.08609	1.9
98.20814	0.4
98.98479	3.6
103.05465	1.2
105.07042	2.0
106.04157	0.9
106.07794	0.6
107.04961	0.6
107.08583	3.8
109.06506	0.3
109.10172	0.6
115.05459	4.9
116.06252	3.4
117.03389	3.3
117.07025	13.2
119.04962	1.5
119.08591	0.7
121.06503	4.2
121.10153	4.4
128.93936	0.3
129.07011	0.4
131.04886	0.6
131.08559	1.2
133.06525	2.7
133.10138	0.6
134.03694	0.4
134.07289	4.5
135.08058	2.1
135.11693	1.5
144.05736	2.4
145.02847	4.4
145.06499	2.1
146.07285	0.4
147.04413	0.8
147.08032	0.6
149.02365	0.3
149.05984	2.9
149.09601	1.5
149.13287	0.6
159.08087	0.7
159.11671	0.6
161.05975	1.5
162.06772	13.9
175.07578	0.4
176.63661	0.3
177.05598	2.7
177.09117	100.0
177.16380	2.3
178.09550	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03937	3.5
55.01879	5.0
55.05507	5.5
57.03425	1.6
57.87602	1.1
59.16127	1.1
59.92179	1.0
63.19886	0.9
65.03915	1.2
67.05508	28.6
69.03410	0.9
69.07075	7.2
71.31321	1.4
79.05496	38.6
81.03436	5.5
81.07059	43.9
83.04992	5.7
83.08631	4.5
85.06541	1.6
88.02218	1.3
89.03924	6.1
91.05485	37.9
91.76907	1.0
92.05855	1.1
92.90681	1.4
93.07046	50.8
95.04976	9.6
95.08614	10.8
97.06525	9.4
98.97872	1.6
98.98473	19.8
103.05463	1.5
105.04549	1.3
105.07039	21.2
107.04965	4.8
107.08601	19.7
109.06531	4.6
109.10105	1.8
111.08080	3.5
115.05453	2.5
117.03397	7.7
117.07022	27.2
119.08611	7.5
121.06504	4.2
121.10158	12.6
129.06996	2.4
129.82964	0.9
130.92252	1.0
131.08575	32.7
132.04422	1.0
133.06425	1.5
133.10141	33.9
134.03679	1.1
135.04424	0.9
135.08057	9.4
135.11691	10.6
144.09360	1.6
145.02834	8.9
149.02365	2.0
149.05997	4.3
149.09613	3.8
149.13254	13.9
159.11705	45.9
177.05441	5.8
177.09236	2.5
177.12758	100.0
177.16249	2.7
178.08592	1.3
178.13084	3.8
186.48470	1.0
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	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02372	1.3
53.03949	5.5
55.01870	3.0
55.05514	2.8
63.02377	2.1
65.03930	2.0
67.05496	3.8
69.03421	3.3
69.07067	9.0
69.64848	7.0
70.21513	1.3
78.04698	4.9
79.05492	8.3
79.78419	1.1
79.81450	1.0
80.05012	1.1
81.03411	2.8
81.07056	8.3
83.04942	1.4
83.08618	1.2
89.03924	47.3
91.05484	28.6
93.07050	100.0
94.07355	2.4
95.04981	7.1
95.08609	6.1
98.97869	2.3
98.98471	28.5
101.41875	1.1
103.05482	6.7
105.03405	2.3
105.04537	1.8
105.07054	9.8
106.04202	7.5
107.04959	10.8
107.08606	30.4
109.06508	1.7
109.10196	2.3
115.05521	2.0
116.06221	2.1
117.03387	77.5
117.07029	5.2
118.03751	1.4
118.06548	1.1
119.08628	6.5
120.08081	1.1
121.02873	2.5
121.06531	11.9
121.10151	25.3
123.91775	1.1
129.07004	3.6
131.04962	8.2
131.08557	10.8
133.06496	1.6
133.10129	7.0
134.03708	10.3
135.04428	6.1
135.08037	4.6
135.11699	12.0
144.09334	4.3
145.02856	96.1
146.03180	2.5
149.02351	4.1
149.06000	32.8
149.09608	4.4
149.13275	20.2
159.04413	4.6
159.07988	2.8
159.11716	22.4
162.03117	3.4
162.06802	1.6
163.03885	1.8
177.05461	38.9
177.06676	2.1
177.07620	2.0
177.09024	11.7
177.12758	45.2
177.16344	2.9
178.04941	2.7
178.08641	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	177.0911
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03934	0.9
55.01867	0.6
55.05494	0.5
56.94357	0.4
69.07066	0.7
71.49330	0.3
71.50916	0.6
76.53630	0.4
78.04728	0.7
79.05489	2.0
81.07034	0.5
81.17805	0.4
89.03919	8.2
91.05486	6.5
91.06035	0.7
92.06255	0.5
93.07043	3.8
95.04972	0.8
95.08604	1.2
98.98472	6.3
103.05486	2.0
105.03385	0.4
105.07047	2.0
106.04160	0.7
106.07826	0.7
107.04963	1.7
107.08599	2.2
109.14640	0.3
115.05473	3.9
116.06261	3.5
117.03389	13.5
117.07020	12.9
118.07353	0.5
119.04953	1.9
119.08570	1.1
121.06509	4.4
121.10150	1.5
123.04414	1.3
129.06996	0.5
131.04950	1.1
131.08554	2.7
133.06505	3.6
133.10097	0.7
134.03673	1.9
134.07269	4.5
134.10570	0.4
135.04434	3.1
135.08058	2.4
135.11659	0.7
144.05721	2.2
145.02847	15.6
145.06503	2.1
146.07237	0.5
147.04425	1.4
147.08031	1.1
148.05206	2.6
149.02330	0.9
149.05991	7.5
149.09596	1.7
149.13235	0.5
159.04471	0.6
159.08051	1.2
159.11665	1.1
161.05981	1.7
162.03137	0.7
162.06775	13.8
162.08144	0.7
162.10495	0.4
163.03944	1.0
163.07086	0.5
175.07607	0.8
177.05627	8.2
177.09108	100.0
178.05032	0.6
178.09637	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98617	0.5
55.01885	0.4
56.96566	10.0
59.93119	0.4
69.07079	0.5
69.39088	2.0
69.39494	0.7
70.04781	0.3
71.95264	3.2
79.05466	0.4
82.01457	0.3
87.01169	0.4
89.03910	2.4
91.05482	1.0
93.07026	0.5
97.02927	0.4
98.97587	100.0
98.98465	3.8
99.97906	0.6
100.02476	0.7
101.00875	1.0
103.00623	0.9
103.05453	0.5
105.02201	0.6
105.06985	0.5
107.04962	0.6
107.08616	0.6
113.00852	5.7
116.98622	62.4
117.03377	4.4
118.96780	1.8
119.01932	1.9
119.08541	0.4
121.01677	2.3
121.06506	0.6
121.10146	0.6
123.03175	0.4
129.03996	0.7
131.01912	20.1
131.04886	0.6
131.08521	0.5
132.01982	0.4
134.03665	0.6
134.99664	26.6
135.03217	2.9
135.04181	0.5
136.02452	1.1
137.02917	0.7
139.02693	0.9
140.00166	1.3
145.02786	4.0
147.03098	0.6
147.04947	0.5
149.02983	2.8
149.05960	2.3
152.82243	0.3
153.00726	2.5
153.04292	0.7
154.03479	7.7
154.96428	0.9
155.01860	0.9
158.01262	1.2
165.04301	0.5
171.01297	0.4
172.01483	1.3
172.04538	1.7
173.01155	0.4
173.02936	1.9
177.00935	2.5
177.04100	3.1
177.05553	2.5
177.08975	0.5
177.10321	0.4
177.30206	0.4
177.98137	0.6
190.02600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03934	0.6
55.63510	0.4
56.55973	0.3
63.02375	1.5
71.42649	0.7
77.03956	0.5
78.04708	3.2
89.03919	48.4
90.04263	0.9
91.03587	0.4
91.05482	2.4
94.68089	0.4
95.04977	0.7
98.97576	0.4
98.98447	0.5
103.05422	2.1
105.03388	0.7
106.04185	3.4
115.71609	0.4
117.03381	82.6
118.03674	1.7
121.06519	0.6
124.05234	0.5
129.04523	0.8
134.03629	8.2
135.04407	3.6
145.02847	100.0
146.03177	2.5
149.05984	25.0
150.06308	0.9
162.03130	0.9
163.03937	1.0
177.05472	22.1
178.05814	0.5
186.05490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.08360	0.4
50.33010	0.5
53.03968	0.4
55.30910	0.5
62.01582	0.5
63.02380	1.3
69.90768	1.9
73.35271	0.4
74.10000	0.4
78.04712	3.5
89.03925	48.8
90.04269	0.7
91.05475	2.4
95.04971	0.7
98.21504	0.5
98.98463	0.6
103.05472	1.7
104.93344	0.4
105.03382	0.6
105.04548	0.4
106.04186	4.1
111.99316	0.4
117.03391	79.6
118.03742	1.6
119.04990	0.5
121.06542	0.6
124.05219	0.5
134.03651	8.2
135.04417	2.9
138.55286	0.4
141.66185	0.4
145.02858	100.0
146.03181	2.2
149.05995	23.7
162.03136	1.3
163.03889	0.9
173.17531	0.4
177.05487	22.3
186.05492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
50.73889	0.8
51.76070	0.9
52.22152	1.0
55.05510	9.1
55.32198	0.8
57.07057	1.1
67.05502	3.0
69.07069	24.2
70.90043	1.5
70.90368	1.4
76.21211	0.8
79.05481	1.9
79.35205	1.0
79.59607	0.9
81.07063	5.7
83.08614	6.9
91.05480	10.3
93.07029	4.2
93.66072	0.9
95.08607	5.6
96.35377	0.9
98.98467	2.9
105.07040	25.7
107.08591	4.7
112.24933	1.0
117.07005	3.4
119.08584	100.0
120.08858	1.2
121.10141	2.5
131.08546	4.4
132.09348	1.2
132.47171	0.9
133.10133	80.0
134.10487	1.5
135.11731	1.2
145.10121	9.2
146.10901	1.3
147.11684	12.8
151.54082	1.0
160.12471	3.8
173.13232	2.3
175.14828	97.1
176.15182	3.9
193.19539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42087	1.6
70.06588	1.6
70.29234	4.9
70.29596	1.8
102.39990	1.3
130.08621	6.1
130.09741	4.2
132.02119	100.0
133.02356	1.7
176.01096	20.2
176.09056	2.6
176.10411	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03942	1.2
53.10829	0.8
55.05520	8.3
62.95627	0.8
65.03941	1.0
66.88220	0.8
67.05509	2.0
69.07072	22.5
70.49191	1.7
70.49557	1.6
79.05489	3.4
81.07065	6.8
83.08630	3.8
91.05490	10.7
93.07059	4.1
95.08606	4.9
97.02891	0.7
98.98477	13.2
103.05476	1.4
104.06284	1.0
105.07039	24.3
107.08609	6.9
115.05435	1.2
117.07037	3.7
119.04978	1.0
119.08592	82.1
120.08898	1.1
121.10152	3.2
122.02311	0.8
128.19949	0.8
131.08603	4.2
133.10143	74.6
134.10547	1.1
144.07037	0.9
145.06543	0.9
145.10143	7.6
146.10974	0.9
146.58699	0.8
147.08052	1.3
147.11707	12.7
147.37596	0.7
159.11716	1.6
160.12500	4.3
173.13264	2.8
175.07520	4.2
175.11253	2.3
175.14839	100.0
176.15193	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.05277	0.7
55.05513	9.9
57.07083	1.4
60.83252	0.7
67.05493	3.2
69.07072	23.9
69.07658	1.0
69.40316	6.6
79.05479	4.1
81.07055	12.7
83.08623	4.1
91.05488	19.3
92.20586	0.7
93.07050	4.5
95.08607	8.8
95.87552	1.0
97.02889	0.8
98.98472	20.6
103.05477	1.7
105.07037	36.5
106.07349	1.2
107.08613	8.1
115.05473	3.0
117.07027	4.3
119.04975	2.5
119.08586	98.4
120.08877	1.4
121.10131	3.0
129.07034	1.2
130.40826	0.7
131.08566	6.9
132.04466	0.8
132.05614	1.1
132.09320	0.9
133.10138	98.2
134.10486	2.8
145.06572	1.1
145.10133	9.4
146.10863	1.3
147.04413	1.3
147.08061	2.8
147.11702	16.3
157.10156	1.7
160.05243	2.3
160.12491	4.7
173.13264	2.7
175.07523	7.6
175.11441	4.6
175.14838	100.0
176.15172	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03943	1.1
55.05509	9.9
64.27927	0.9
65.03933	3.2
67.05502	2.8
69.03425	1.9
69.07069	21.9
69.55299	2.0
69.55714	4.3
70.06595	3.0
79.05497	4.2
80.97464	0.9
81.07064	10.1
82.11526	0.9
83.08603	4.7
83.58701	0.8
89.03897	2.1
91.05484	30.1
93.07037	5.8
95.08600	9.9
97.02900	1.5
98.98474	26.1
103.05459	1.8
105.07028	36.9
107.08612	6.9
115.05455	1.6
117.06994	5.6
118.06522	1.1
119.04950	9.4
119.08585	100.0
121.10130	3.4
121.12337	0.9
128.06226	2.0
129.07004	7.8
130.06532	5.1
131.08530	6.4
132.02087	1.1
132.95799	2.4
133.06506	1.7
133.10135	80.3
134.10464	1.4
145.06503	1.2
145.10138	8.2
146.10933	1.2
147.04399	4.9
147.08038	2.3
147.11685	17.4
157.06508	2.9
157.10074	1.1
158.06027	2.1
160.05183	3.4
160.12503	4.7
173.13307	2.1
175.03937	2.3
175.07549	12.5
175.11183	5.2
175.14827	97.2
176.06976	1.5
176.15114	2.6
185.05359	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
52.31349	0.6
53.03936	1.1
55.01869	1.1
55.05515	11.0
57.07084	1.0
60.72282	0.7
61.16939	0.6
65.03939	2.0
67.05492	3.4
69.03430	2.2
69.07072	24.2
70.06597	4.1
71.50422	0.8
71.65886	0.7
72.08153	1.3
75.79421	0.7
79.05473	3.6
81.07063	6.9
83.04986	14.7
83.08611	4.6
85.02926	0.8
85.56950	0.6
87.04485	0.7
88.76393	0.6
89.03912	1.5
91.05489	28.5
92.90068	0.7
93.07056	4.8
95.05008	0.9
95.08597	4.6
97.02891	1.4
98.98476	41.1
103.05450	1.6
105.03401	0.7
105.07038	33.2
106.07340	1.3
107.04993	1.1
107.08597	7.7
111.04415	1.0
115.05460	2.6
116.99511	0.8
117.07014	4.2
119.04963	9.6
119.08590	100.0
120.08117	0.7
120.08928	2.0
120.63035	0.7
121.06496	1.8
121.10136	2.3
126.00930	0.7
128.06252	0.9
129.03455	0.7
129.07004	2.8
130.06514	1.6
131.04977	0.7
131.08586	5.1
132.04446	0.9
132.05728	0.9
132.09373	1.2
132.95857	2.2
133.06543	5.1
133.10141	76.5
142.07730	3.5
145.06470	3.3
145.10132	8.1
146.07323	0.9
146.10951	0.8
147.04408	7.8
147.06270	1.4
147.08052	4.9
147.11696	18.6
150.96886	1.1
151.93710	1.1
157.10101	4.7
158.06026	1.0
160.05226	2.0
160.08870	8.5
160.12453	3.7
173.13263	2.8
175.03911	2.7
175.07487	6.4
175.08807	1.2
175.11195	25.5
175.14835	94.5
176.07039	0.9
176.15182	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	7.5
57.07072	1.6
58.34974	0.7
62.06078	1.6
67.05497	2.0
69.07073	20.6
69.61813	0.7
70.06579	0.8
71.08633	0.9
71.16167	1.4
72.08959	1.3
75.00084	0.7
79.05492	2.9
81.07058	11.3
83.08628	4.1
88.32672	0.7
89.11485	0.8
91.05479	16.1
91.14368	0.7
93.07030	5.3
95.08620	7.8
96.99319	0.8
98.98466	11.7
103.05488	1.4
105.07034	33.4
107.08597	7.6
109.10184	0.8
115.05470	2.0
117.06996	4.5
119.04916	1.4
119.08586	91.4
120.08896	1.2
121.06494	0.9
121.10141	2.6
128.06253	1.2
129.07014	3.1
131.08571	7.2
132.09344	1.1
133.10136	96.7
134.10478	1.6
142.07785	1.8
145.10109	9.6
146.10930	1.6
147.04420	1.8
147.08076	0.8
147.11694	14.8
157.10118	2.1
157.17831	1.7
159.11655	1.0
160.05275	1.1
160.08939	1.1
160.12474	4.4
173.13283	2.6
175.07542	8.0
175.11292	8.8
175.14830	100.0
175.18884	10.3
176.15147	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
53.10829	0.8
55.05520	8.3
62.95627	0.8
65.03941	1.0
66.88220	0.8
67.05509	2.0
69.07072	22.5
70.49191	1.7
70.49557	1.6
79.05489	3.4
81.07065	6.8
83.08630	3.8
91.05490	10.7
93.07059	4.1
95.08606	4.9
97.02891	0.7
98.98477	13.2
103.05476	1.4
104.06284	1.0
105.07039	24.3
107.08609	6.9
115.05435	1.2
117.07037	3.7
119.04978	1.0
119.08592	82.1
120.08898	1.1
121.10152	3.2
122.02311	0.8
128.19949	0.8
131.08603	4.2
133.10143	74.6
134.10547	1.1
144.07037	0.9
145.06543	0.9
145.10143	7.6
146.10974	0.9
146.58699	0.8
147.08052	1.3
147.11707	12.7
147.37596	0.7
159.11716	1.6
160.12500	4.3
173.13264	2.8
175.07520	4.2
175.11253	2.3
175.14839	100.0
176.15193	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.63109	0.7
53.03939	1.2
55.01867	2.8
55.05510	4.3
58.62025	0.7
58.62808	0.7
65.03922	2.0
67.05476	1.8
69.03432	5.4
69.07054	3.3
69.55523	3.3
69.55952	1.7
70.06587	2.8
71.44606	0.7
79.05492	3.3
81.07048	2.8
83.04961	1.2
89.03905	0.8
91.05487	26.6
93.07040	3.3
95.08575	1.8
97.02907	1.8
98.21506	0.9
98.98471	28.2
103.05436	2.0
105.03390	0.8
105.07037	37.0
107.04958	1.5
107.08582	6.7
115.05469	2.8
117.07033	6.3
119.04967	9.0
119.08588	64.8
120.08894	1.1
121.06522	5.5
128.06189	1.6
129.07030	5.2
130.06499	1.3
131.08577	5.4
132.05804	0.8
132.09312	2.4
133.06497	12.8
133.10135	22.4
135.08061	2.6
141.07027	1.6
142.07797	11.8
145.06499	12.6
145.10179	6.2
146.07268	4.5
147.04483	3.6
147.06383	1.0
147.08061	9.8
147.11691	37.1
157.04106	0.8
157.06548	1.5
157.08945	1.3
157.10136	15.3
159.08073	2.0
160.05199	1.5
160.08836	35.8
161.09198	0.8
175.03918	1.7
175.07562	5.7
175.11189	100.0
175.14746	13.9
176.11510	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	175.1192
Annotation	L-arginine
Peak:m/z	Relative Intensity
55.01863	0.4
56.05038	0.6
56.96580	2.0
57.03432	0.8
58.06604	1.1
60.05652	28.3
60.17855	0.4
61.98406	0.5
67.05518	0.6
68.05025	0.7
69.03431	1.1
70.06596	100.0
70.34588	1.6
71.04993	3.9
71.06937	2.0
72.08163	5.7
73.02925	0.7
81.03426	0.6
82.99850	1.0
84.08150	25.4
85.01431	2.4
85.02934	0.8
85.06561	0.7
87.04482	0.6
88.07643	0.9
91.95271	0.4
95.52363	0.9
97.02902	0.8
97.07652	0.6
98.06066	3.8
98.97591	0.7
98.98470	2.6
99.04437	0.9
100.07627	0.5
101.00883	6.6
103.00588	0.5
103.02451	3.0
104.03515	0.4
104.52882	0.4
111.04433	0.6
111.10042	3.4
112.07614	7.1
112.08736	3.6
113.00889	0.7
114.05541	1.0
114.10320	0.5
115.02456	2.4
115.05868	0.8
115.08683	1.3
116.07101	28.0
117.07448	0.5
119.01923	8.5
121.03476	0.8
127.02385	0.4
127.03883	0.7
128.10762	1.0
128.98590	0.6
129.10207	0.8
129.11072	5.4
129.53656	0.4
130.06531	0.5
130.08653	9.3
130.09778	12.2
130.12247	2.7
131.01930	1.1
132.02094	0.8
132.04468	0.5
133.03477	9.4
137.02977	1.8
139.08684	0.5
140.07053	1.1
143.01874	0.6
145.01062	0.4
145.03470	2.8
151.04543	1.6
157.03473	0.9
157.10649	2.8
158.08110	2.5
158.09283	5.5
158.11728	0.5
174.99141	0.4
175.04547	11.0
175.11913	18.5
175.14224	3.2
176.09016	0.8
176.10414	2.1
189.95630	0.4
193.05721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0868
Annotation	(Indol-3-yl)acetamide
Peak:m/z	Relative Intensity
51.02393	0.7
52.24417	0.3
53.03951	0.4
55.01870	0.8
55.05517	0.6
56.96569	5.6
57.03439	1.5
59.05012	0.5
60.05652	15.1
61.02921	0.9
67.05510	0.8
68.05041	0.3
69.03438	2.4
69.07076	0.9
70.06596	47.5
70.18630	1.0
70.64706	0.3
70.95875	0.4
70.98114	2.0
71.04996	1.8
71.06927	0.4
72.08167	2.4
72.93792	0.9
73.02923	1.0
74.97621	0.3
77.03943	0.5
81.03436	1.3
81.72504	0.3
82.02937	3.7
83.04989	0.7
84.08152	5.3
84.96028	0.4
85.01417	1.0
85.02897	1.8
86.09715	3.5
87.04479	0.9
88.07671	0.4
88.99164	0.6
91.05489	1.5
93.05746	0.4
94.06574	5.3
95.04990	0.3
97.02909	2.8
97.07684	0.3
97.96830	0.4
98.06054	0.5
98.21415	0.5
98.97594	4.3
98.98478	8.9
99.04453	0.5
101.00867	1.6
102.53183	0.4
103.00652	0.6
103.02423	1.4
103.05472	2.4
104.04996	4.0
105.04527	0.4
105.07016	0.5
109.02897	0.7
110.97575	0.7
111.04459	0.4
111.10052	0.3
112.07623	1.6
112.08736	2.0
112.98724	0.4
115.02432	1.0
115.03946	0.7
115.05433	1.7
115.08670	0.5
116.07098	13.1
116.97225	1.1
116.98597	1.5
119.01904	3.1
119.04982	0.4
119.08585	0.7
121.03526	0.5
127.00690	0.3
127.03935	1.3
128.02325	0.9
128.04967	0.4
128.07182	0.3
128.98656	0.8
130.06534	96.8
130.09772	5.2
131.01938	0.6
131.06836	2.1
131.96126	0.6
132.04457	87.4
132.95824	2.7
132.96776	0.4
133.01764	0.3
133.03474	3.1
133.04794	1.6
133.10100	0.5
133.95964	0.5
134.03604	0.4
134.99641	0.6
137.02931	0.4
139.03922	0.8
140.04967	0.6
145.01730	0.5
145.03462	1.1
146.06021	0.6
146.99651	0.3
147.04451	0.7
147.09184	1.5
148.05309	0.3
150.96916	0.9
151.04498	0.8
151.97084	0.7
152.97049	0.4
156.06863	1.4
157.07625	34.2
158.06018	100.0
158.09273	3.0
158.99648	0.6
159.06395	2.3
161.01270	0.5
161.04712	0.7
163.02776	0.4
163.04440	0.5
174.97044	0.4
174.98944	0.4
175.02548	0.3
175.02827	0.4
175.04570	5.5
175.08694	20.7
175.11925	9.5
175.14497	0.8
175.98607	0.3
176.04837	0.3
176.07008	0.4
176.09120	0.6
177.00746	0.4
187.02696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
54.57699	0.8
55.05498	4.7
65.03936	1.2
67.05502	2.8
69.03429	1.6
69.07066	13.0
69.94809	1.9
69.95200	1.8
70.06593	3.9
79.05503	4.1
81.07063	7.0
83.08632	2.6
85.02902	1.6
87.04491	1.0
91.05485	61.9
92.05826	1.4
92.90050	2.0
93.07047	3.4
95.08610	5.0
97.02902	3.4
98.98469	100.0
103.05478	3.8
105.07039	23.8
107.04971	1.5
107.08625	4.0
110.91154	0.8
111.04454	1.5
115.03993	0.8
115.05436	4.5
116.06267	7.6
116.07033	1.7
116.99516	1.3
117.07012	4.7
119.04930	2.0
119.08585	61.1
119.53381	0.7
121.06467	0.8
121.10166	1.3
125.02349	0.9
128.06232	9.3
129.05536	1.5
129.07007	39.5
130.06500	1.2
131.05043	0.8
131.08569	33.3
132.05681	2.0
133.06450	3.4
133.10133	49.6
133.92799	1.2
142.07782	1.9
145.06459	2.5
145.10135	5.2
146.10927	1.0
147.04436	2.4
147.08054	7.1
147.11687	9.7
151.93874	3.2
155.06024	1.5
157.04318	1.3
157.06465	5.6
157.10078	3.9
160.05208	3.2
160.08810	2.0
160.12476	2.2
173.13248	1.7
175.03883	2.0
175.07544	84.4
175.11121	13.4
175.14821	56.0
176.06908	1.3
189.63979	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03939	1.4
54.02522	0.8
55.01875	1.3
55.05518	4.8
57.03422	0.7
58.92747	0.8
60.05643	0.9
65.03923	1.5
67.01068	0.7
67.05487	2.1
69.03423	2.9
69.07069	10.3
69.95851	3.9
70.06577	3.1
73.35553	0.8
76.68999	0.7
77.22839	0.8
79.05482	3.0
81.03419	1.1
81.07059	6.4
83.01335	0.9
83.08598	2.2
85.02889	0.9
86.43343	0.9
87.04486	0.9
91.05486	79.2
92.05836	1.6
92.90055	1.8
93.07024	2.5
95.04968	1.0
95.08617	4.7
97.02926	4.1
98.03652	0.8
98.98470	81.4
103.05460	4.5
103.07883	0.8
104.06235	1.2
105.03396	1.8
105.07034	25.4
107.08617	4.3
111.04433	1.7
112.07566	1.3
113.03601	0.9
115.03905	0.9
115.05434	5.3
116.06250	10.6
116.07032	1.8
116.97135	0.9
117.07035	4.3
119.04928	2.3
119.08585	52.3
121.10108	1.0
125.02278	0.7
127.03925	0.8
128.06239	13.2
129.07010	56.3
130.07355	0.8
130.08675	1.8
131.08574	42.6
132.05661	1.6
133.06528	5.2
133.10135	38.3
133.92818	0.8
142.07761	2.2
145.06496	4.4
145.10132	3.2
146.05920	0.9
146.10802	0.7
147.04391	2.5
147.08057	10.7
147.11699	8.0
151.93864	2.4
155.06058	2.2
157.04208	1.0
157.06499	7.3
157.07646	1.3
157.10162	2.6
160.05215	4.0
160.08878	1.7
160.12456	2.3
175.07545	100.0
175.11075	10.8
175.14824	46.8
176.06828	1.2
176.08084	1.6
176.09251	0.9
176.15161	1.2
185.39793	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1127
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
55.05519	1.7
56.96574	1.7
57.03434	1.3
59.05003	4.8
60.05655	6.9
66.17424	0.5
66.36562	0.5
67.05512	2.1
68.05032	10.8
69.03433	2.1
69.38572	4.0
70.06597	76.0
70.95877	0.6
71.04999	1.7
72.04533	0.5
72.08158	1.5
72.54160	0.5
74.02446	2.9
81.03435	1.3
81.07059	0.7
82.06598	3.4
83.08637	0.6
84.04501	1.4
84.08149	7.5
84.96059	0.7
85.01447	0.8
85.02914	1.3
85.06536	0.7
86.03713	0.6
86.06085	2.6
87.04457	0.6
88.03992	0.7
91.05488	0.7
93.07050	2.0
95.52315	0.7
96.08138	1.3
97.02921	1.1
98.06065	2.1
98.23335	0.6
98.97611	1.0
98.98473	0.9
99.04451	0.7
100.03984	0.7
100.07618	2.1
101.00897	2.5
101.06036	0.6
102.05542	0.9
103.02451	1.3
105.44058	0.5
110.06070	0.7
110.09689	52.7
111.09995	0.6
111.98489	0.7
112.07587	3.1
112.08726	0.9
114.05537	33.5
114.09173	1.3
115.02419	0.9
116.06332	1.0
116.07103	9.4
118.01208	0.6
119.01929	3.6
128.03456	2.3
128.07098	9.4
128.10725	100.0
129.11096	1.5
130.08649	2.0
130.09787	2.7
131.00214	0.6
131.01866	0.9
131.96141	1.0
133.03482	2.3
139.07605	0.6
140.08109	0.6
143.01920	0.8
145.03465	0.9
146.08099	0.6
151.04524	0.6
155.97536	0.6
156.06648	1.7
156.10211	39.5
158.08119	0.9
158.09280	1.1
161.03072	0.7
174.03845	1.4
174.07643	2.3
174.11263	51.6
175.04549	2.6
175.11958	5.0
175.14445	0.7
190.03932	0.6
191.89302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1126
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
51.46642	0.5
55.05521	0.9
56.05030	1.0
59.05002	4.8
60.05638	1.3
60.08617	0.6
63.19053	0.7
67.05511	1.0
68.05031	9.3
70.06594	56.6
70.34732	2.3
71.06941	1.1
74.02443	2.2
79.87967	0.7
82.06592	1.2
84.08141	4.1
86.06060	1.0
87.04485	1.0
87.13653	0.8
93.07047	1.7
96.08110	1.3
98.06043	1.6
108.08125	0.7
110.06036	1.0
110.09685	52.2
111.09974	0.9
112.07579	0.9
114.05531	25.2
114.09151	1.0
116.07078	3.0
128.07082	2.3
128.10718	100.0
129.11064	1.4
130.08620	0.8
156.06606	1.0
156.10208	35.1
174.11253	49.4
174.14748	1.5
175.11760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1328
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03938	3.6
55.05516	12.0
56.96557	1.7
59.04973	1.6
65.03933	3.3
67.05510	6.1
69.97270	4.5
72.93781	3.4
79.05508	7.4
80.85028	1.0
81.07069	6.2
83.04991	11.7
85.06560	1.6
89.02419	1.6
90.90421	1.2
90.94843	2.9
91.05491	41.3
93.07036	4.0
94.07816	1.2
95.04990	1.2
95.08591	1.6
98.20805	1.3
101.06021	8.5
103.05466	5.6
104.05288	1.1
105.07045	37.2
111.04443	15.7
113.02380	1.1
115.05460	9.0
116.06262	9.0
117.07030	18.3
117.73013	1.2
119.08588	27.7
120.08945	1.2
127.07504	2.4
128.06230	13.7
129.05521	2.6
129.07014	42.4
130.07819	14.4
131.08578	83.4
133.10156	9.2
134.95236	1.2
141.06972	3.2
142.07803	5.0
143.08572	87.1
144.09378	20.0
145.06448	2.7
145.10132	54.5
149.94041	1.2
149.96062	1.3
155.05951	2.0
155.07050	7.7
155.08252	1.5
156.09372	3.7
157.10185	4.4
158.07283	3.7
158.10919	56.8
159.11256	1.7
171.11716	2.3
172.05731	1.3
173.05962	1.6
173.08168	10.5
173.09642	7.0
173.13281	100.0
174.05286	1.4
174.13660	2.8
177.45625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1328
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03954	2.9
55.05270	2.1
55.05517	30.4
57.07059	2.2
59.04995	5.4
59.99828	1.5
65.03940	2.8
67.05502	6.7
70.64489	2.7
71.04995	1.4
72.93802	11.1
76.02246	2.6
76.15410	1.3
79.05505	9.3
81.07069	7.5
83.04988	26.0
87.04469	2.4
89.02409	1.9
90.90380	5.4
90.94842	9.0
91.05489	49.4
93.07053	3.2
95.04946	1.6
101.06016	20.2
103.03294	3.4
103.05465	4.4
105.07036	41.2
111.04455	35.8
113.06022	2.1
113.96430	1.8
115.05461	16.2
116.06262	11.9
117.07037	25.7
119.08592	33.8
127.07563	4.0
128.06248	14.2
129.05615	6.4
129.07021	48.6
130.04312	1.4
130.07803	19.5
131.08583	96.2
131.93028	1.5
133.10150	9.8
137.06049	1.5
141.06978	2.2
142.07814	2.9
143.08574	100.0
144.09363	21.3
145.06490	6.3
145.10133	55.5
146.05949	1.4
149.94038	5.0
149.96091	3.3
150.96860	1.9
155.05995	3.1
155.07079	20.6
155.08357	2.4
156.06505	1.5
156.09303	3.4
157.10156	6.5
158.07301	5.4
158.10925	61.3
167.97157	2.3
171.11702	2.3
173.04565	2.4
173.05951	4.6
173.08160	29.2
173.09680	12.0
173.13283	99.1
174.13702	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03949	0.7
55.05516	8.2
56.05066	0.4
57.07084	2.3
59.05009	1.2
64.95496	0.5
65.03950	0.5
67.05517	3.9
69.03440	0.7
69.07055	0.7
71.04997	0.6
71.31611	0.8
72.93793	1.0
76.02227	0.9
79.05502	4.2
80.70971	0.5
81.07069	4.3
83.04989	7.4
87.04466	1.0
89.87615	0.5
90.90397	0.8
90.94830	1.2
91.05487	18.1
93.07055	3.4
95.08599	1.9
98.98467	1.1
99.04462	0.8
101.06025	5.8
103.03307	1.5
103.05475	0.7
105.07038	10.8
105.07701	0.9
107.08600	1.3
111.04452	8.9
113.05994	0.7
113.96384	0.5
115.05464	2.8
116.06251	2.0
117.07031	17.4
119.08576	4.9
127.07532	0.8
128.07083	0.6
129.05553	3.1
129.07013	7.4
130.07814	2.6
131.08575	100.0
132.08044	0.8
132.08966	1.7
143.08597	3.1
144.09367	2.7
145.06509	0.8
145.10130	19.7
149.94077	0.6
149.96140	0.7
155.07036	6.3
158.07303	0.7
158.10910	2.6
171.11691	1.3
173.04553	0.8
173.08315	8.0
173.09821	1.4
173.13274	70.7
174.12566	0.7
174.13702	1.2
188.36136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	8.1
57.03455	1.5
58.99588	3.6
67.05505	4.5
68.05038	2.4
69.07075	100.0
69.50386	7.8
70.02978	6.9
70.06601	1.7
70.07427	1.7
72.08160	1.2
72.93784	3.2
73.21065	1.0
73.88036	0.9
79.26288	1.2
81.03397	1.6
81.07073	1.8
82.03757	1.7
83.04997	7.1
84.08154	16.9
85.06537	1.5
86.02448	5.1
86.09714	79.4
87.00846	10.1
90.90375	1.2
90.94831	3.6
93.07071	1.3
94.06605	1.5
95.04977	1.8
98.02428	5.1
98.06037	1.4
100.11336	1.0
101.04260	4.5
101.06035	5.3
104.03476	76.5
108.01696	2.0
108.08134	1.3
109.02877	1.1
109.06518	1.1
110.03242	3.7
111.04459	8.1
111.08090	2.0
112.03985	14.1
112.04755	2.0
112.07616	27.5
116.03464	19.5
122.48766	1.0
126.02731	2.4
126.03775	3.1
126.05505	1.7
126.09186	5.9
127.07545	1.1
128.04308	2.2
131.08583	4.2
137.05977	1.9
143.08684	1.3
144.08145	1.9
145.10188	2.8
148.27777	1.0
148.97398	2.1
149.96135	1.4
154.02206	3.7
154.08635	14.5
155.07082	4.9
158.10928	2.5
172.07529	3.3
172.09724	33.9
172.11246	1.9
173.08138	7.0
173.13310	6.2
174.10869	1.2
189.10541	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01875	1.3
55.05522	9.5
56.05027	1.2
57.07063	1.8
59.04985	1.6
67.05513	5.7
67.23872	1.2
69.03429	2.7
69.07070	30.7
69.45417	7.3
70.02957	16.0
70.06591	3.6
70.59821	1.0
71.04991	1.4
72.04549	1.6
72.08136	1.5
72.93784	5.4
79.05499	1.4
81.03419	2.0
81.07039	1.8
82.03778	2.7
83.04977	10.0
84.04503	1.4
84.08145	18.4
85.02937	1.4
85.06543	1.4
86.02422	3.1
86.09710	100.0
87.00826	14.7
90.90377	1.3
90.94820	2.4
91.05473	2.6
94.06564	1.9
95.05000	1.2
95.08610	1.7
98.02423	7.0
98.06055	1.3
98.21490	2.1
101.06039	7.3
104.02813	1.9
104.03473	28.9
105.01866	1.1
105.07029	3.5
108.01653	5.1
109.02937	1.2
110.03218	4.2
111.04456	11.5
112.03970	51.5
112.07612	15.4
116.03458	23.5
117.07028	3.2
119.08534	2.8
125.02367	1.1
126.02674	2.1
126.05517	2.7
126.09140	14.4
127.03886	2.3
127.07565	1.3
128.04259	4.4
129.05499	1.3
129.06898	2.1
130.96333	1.5
131.08589	8.6
133.10112	1.4
143.08566	4.8
144.08075	3.4
144.09242	2.0
145.10120	3.4
148.97305	1.3
149.96158	1.1
154.02159	7.6
154.08627	4.4
155.07053	7.6
158.10927	3.6
172.03230	1.5
172.06238	1.4
172.07591	4.0
172.09743	16.4
173.08176	10.2
173.13216	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	171.029
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02377	2.2
53.03949	5.4
55.01880	4.3
55.05502	1.2
55.70987	0.9
57.17234	1.0
69.03438	5.2
70.06579	0.9
71.05699	2.1
72.04530	5.1
72.32252	0.8
79.01856	8.5
81.03423	67.8
87.04460	0.8
88.95251	1.1
89.07162	2.5
96.02109	3.9
97.02892	5.6
97.03442	1.0
107.01322	81.7
109.02887	100.0
110.03210	2.4
111.04443	2.6
125.02358	53.6
126.80182	0.9
127.03922	72.1
128.04247	1.1
135.00789	11.9
137.03452	2.8
139.00244	1.4
139.03915	2.2
143.03447	2.2
153.01842	83.2
154.02180	1.5
156.09337	0.9
171.02910	19.2
171.11821	1.6
171.14926	2.2
177.15895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1169
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.03957	0.5
53.70285	0.5
54.30620	0.5
55.05516	7.2
67.05503	1.8
69.03432	0.6
69.07073	0.7
69.33287	2.7
69.33717	1.9
72.04521	12.9
79.05507	2.5
81.34814	0.5
83.08627	4.3
84.08155	1.0
85.61710	0.5
89.07156	8.8
91.05482	10.5
93.07025	1.0
100.54618	0.5
105.07034	3.1
109.02842	0.5
109.98080	0.5
112.07616	0.9
115.05460	4.7
117.07034	8.0
118.07378	0.5
125.05895	0.6
125.07913	0.9
126.09142	1.9
128.06230	16.3
128.07147	1.1
129.07014	76.7
130.07762	4.5
131.08603	3.1
141.06996	4.0
142.07802	3.7
143.08571	38.6
144.08945	0.9
155.06053	1.4
156.09383	6.6
169.10129	1.5
171.11697	100.0
172.12056	3.4
175.53108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0812
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
55.01856	1.4
55.05482	1.2
56.05043	7.3
56.96549	3.3
57.03412	1.4
59.54383	0.8
60.50499	0.9
65.03934	1.6
68.05034	4.6
68.99774	1.2
69.03422	5.7
69.05799	1.3
69.07069	1.1
70.06594	83.1
70.18100	2.6
71.04977	2.2
73.02917	1.7
79.05492	8.8
80.05009	1.6
81.03400	1.7
81.07042	2.3
81.37543	0.8
82.02929	1.6
82.06581	2.6
83.04979	1.4
84.04530	4.1
84.08154	0.9
86.06080	2.1
87.04461	3.0
94.06570	2.8
96.04468	1.8
96.08131	48.2
97.02867	1.2
97.05270	1.1
97.08929	1.5
106.06561	24.2
107.01333	0.9
108.08113	6.6
109.02854	2.1
110.06030	1.7
111.04456	4.8
114.05496	3.2
114.09174	13.4
115.03933	1.0
124.07594	92.8
124.11231	5.0
125.02387	1.0
125.08362	3.6
127.03915	3.4
128.95078	1.3
128.98608	1.0
129.04163	0.9
134.03198	1.6
134.06004	11.5
136.06195	1.2
139.03897	4.9
142.08635	37.4
143.08958	1.1
146.52142	0.8
152.07063	20.6
153.01820	2.8
155.03410	2.5
170.05748	3.7
170.08125	100.0
170.11726	6.4
171.08438	1.2
180.37672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0813
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03942	1.4
54.99728	0.8
55.01868	3.3
55.05519	1.7
55.80671	0.8
55.93519	1.4
56.05037	6.5
56.96567	15.4
57.03428	1.6
58.06589	1.2
65.03945	1.3
67.05501	2.1
68.05031	6.2
68.99771	2.8
69.03432	5.7
69.07085	1.3
69.92546	1.4
70.06596	51.8
70.62955	1.9
70.63291	1.4
70.91022	0.9
70.94272	1.0
70.95855	2.2
71.04977	2.7
72.04507	1.3
73.02908	2.2
79.05490	8.6
80.05004	4.0
81.03422	4.6
81.05801	1.9
81.07053	1.8
82.06580	5.3
83.04985	2.4
84.04507	10.7
84.08121	3.5
84.94882	2.5
84.96024	2.1
85.02892	1.1
86.06060	2.4
87.04469	2.3
88.02217	1.3
88.96902	2.3
92.05003	2.5
93.03419	1.0
93.05795	2.5
94.06572	2.6
95.04962	1.8
96.04495	2.3
96.08131	32.6
97.02894	2.9
97.06550	1.1
97.99180	1.1
98.06036	1.4
98.97583	2.9
100.07631	1.3
106.06564	14.6
107.01327	3.9
107.04958	1.6
108.08130	3.1
109.02887	5.9
109.07609	1.1
110.06052	6.6
110.07178	2.2
110.09676	1.0
110.97570	3.8
111.04451	5.7
114.05534	4.0
114.06345	1.1
114.09191	7.5
116.98529	1.1
119.01879	1.1
123.04447	1.2
123.06800	1.9
124.04770	1.8
124.07597	67.1
124.11245	7.0
125.02388	2.8
125.05936	0.9
125.08392	1.4
125.97487	1.7
126.01047	1.1
126.05506	1.6
127.03896	5.2
128.07045	3.3
128.14830	1.0
128.95078	3.1
128.96312	0.7
128.98610	4.5
129.04112	1.4
134.03185	3.1
134.06024	62.8
135.04407	1.6
135.06381	1.2
136.06163	4.4
139.00279	3.6
139.03888	5.2
140.07053	1.4
142.04999	3.0
142.08638	28.6
142.12285	1.1
146.95023	1.2
146.96147	1.9
146.97392	3.0
146.99623	0.9
150.05519	1.1
152.07069	100.0
153.01839	3.1
153.05505	1.0
153.07407	1.9
153.11078	1.0
154.02876	1.0
155.03403	2.4
156.05511	1.5
157.01393	1.1
164.95872	1.1
164.98502	1.1
168.02609	1.1
170.05774	3.2
170.08139	87.9
170.09561	7.4
170.11707	13.5
171.02893	4.3
171.08495	1.4
184.00520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0813
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03940	2.0
55.01862	1.7
55.05515	9.0
56.05045	11.6
56.96553	3.1
57.03421	2.9
67.05493	1.8
68.05035	5.1
69.03428	6.4
69.05785	1.2
69.07068	1.4
69.24046	8.9
70.06597	68.0
71.04993	2.8
72.04489	1.1
73.02901	2.8
74.02422	4.5
79.05492	8.3
80.05020	3.5
81.03392	3.3
81.05791	1.2
82.01421	2.5
82.02933	2.4
82.06585	41.9
83.04963	1.1
83.06102	3.4
84.04512	12.9
84.08141	6.7
85.01438	1.2
85.02890	3.1
86.03688	1.7
86.52707	1.5
87.04461	2.4
90.52927	1.4
94.06541	2.4
95.06077	1.6
96.04484	1.3
96.06882	15.0
96.08135	45.3
97.02860	1.7
97.07653	1.9
98.06055	1.5
99.53458	1.6
100.02528	4.5
100.03988	10.6
100.05208	1.4
100.07614	2.9
101.00869	3.3
106.06564	22.5
107.04936	1.1
108.08113	5.1
109.02874	3.5
109.07654	9.1
110.06006	2.7
110.97581	1.6
111.04448	1.9
112.03918	1.2
113.53249	5.5
114.05511	4.5
114.09180	10.9
115.02438	1.3
115.03904	1.5
119.01939	3.4
120.53973	3.1
122.53715	2.8
123.01678	1.9
124.02464	1.6
124.07600	84.8
124.08673	9.3
124.11193	3.3
125.07117	4.1
125.08328	3.7
126.10254	2.5
128.07094	20.6
128.98647	1.3
129.54488	2.9
131.01918	1.6
134.06029	32.1
135.06311	1.5
138.55013	2.3
139.00226	2.7
140.10722	1.5
141.02718	4.8
142.03566	1.7
142.04979	1.4
142.08640	33.2
147.01378	1.4
147.05038	1.2
152.07071	48.3
153.05521	2.0
153.07422	1.7
154.03517	1.0
159.17279	0.9
167.39839	0.9
170.08118	100.0
170.09315	6.8
170.11649	5.9
172.02713	0.9
186.06133	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	170.0814
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
55.01897	0.8
55.05541	0.4
56.05053	2.0
56.96570	3.6
57.03469	1.2
67.05531	0.4
68.05064	1.2
69.03469	1.2
69.07097	0.4
70.06317	1.2
70.06641	1.2
70.98146	0.8
73.02950	0.4
79.05497	1.7
80.05008	0.7
81.03426	1.7
81.05827	1.1
81.07090	0.6
82.01470	0.7
82.06608	1.6
83.06123	0.6
84.04514	8.4
84.04971	0.6
84.08154	0.6
84.94920	0.7
85.02939	1.2
85.04046	0.5
86.06071	0.5
88.99210	0.4
94.06593	0.6
95.06133	0.5
96.04508	0.4
96.06886	3.9
96.08136	8.0
96.08695	0.6
97.02903	0.7
97.07682	1.0
98.06064	0.4
98.97607	1.2
99.04476	0.5
100.02502	0.7
100.04008	0.4
100.07623	0.4
101.00909	1.5
103.02481	0.5
106.06562	1.6
107.01316	0.6
107.04980	1.0
109.02919	1.2
109.07648	3.2
110.06062	0.9
110.07211	1.0
110.97607	1.4
114.05524	2.5
115.00579	0.3
116.98604	0.6
117.39520	0.4
118.01048	0.9
119.01931	2.1
120.02021	0.6
121.01688	0.6
123.06780	0.9
124.03992	0.5
124.07619	11.0
124.08723	2.9
124.11279	1.1
126.10280	1.0
127.01550	1.3
127.03994	0.5
128.04607	2.3
128.07098	1.0
128.98637	1.2
129.01897	0.5
129.54507	0.5
131.01941	0.5
133.01624	0.4
133.03505	0.5
134.06030	70.6
135.06371	1.3
136.05203	0.5
136.06195	0.8
138.05536	0.5
139.00284	1.1
142.05005	1.7
142.08641	2.2
145.03461	0.5
146.03654	0.6
146.99678	0.8
147.01398	1.1
147.03210	0.4
147.05077	0.6
150.05463	0.4
152.07079	100.0
153.05464	0.9
153.07504	2.1
161.11212	0.3
170.06783	0.8
170.08112	17.0
170.09373	1.9
170.11696	1.9
171.02773	0.4
171.08447	0.5
171.11269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04574	0.4
53.03944	1.0
55.01870	1.1
55.05506	1.2
55.93540	0.4
56.05030	1.4
56.96566	6.3
57.03439	0.9
62.68619	0.3
64.38186	0.4
65.03917	0.5
66.41478	0.4
67.05517	0.6
68.05019	0.9
68.84325	0.4
68.99837	0.4
69.03428	2.6
69.07083	0.4
69.92568	0.6
70.06593	5.3
70.95876	0.5
70.98150	0.7
71.05320	0.8
72.08170	0.5
73.02911	1.2
79.05491	3.3
80.05011	0.7
81.03417	2.1
81.05788	0.7
81.07067	0.9
82.01424	0.8
82.06587	4.2
83.04987	0.5
83.06105	0.6
83.08599	0.7
84.04506	3.1
84.08125	0.9
84.94866	0.8
84.96022	0.5
85.02908	1.0
85.55374	0.4
86.03602	0.6
87.04462	0.6
90.52973	0.5
92.04993	0.6
93.05798	0.5
94.06565	0.6
96.06880	1.8
96.08129	5.6
97.02875	1.0
97.99182	0.5
98.06072	0.7
98.97598	2.3
99.04443	0.9
100.02505	0.9
100.04000	0.6
101.00863	1.0
102.00905	0.4
103.02431	0.5
106.06564	2.3
107.01321	1.1
107.04948	1.5
107.08595	0.6
109.02878	2.1
109.07646	1.4
110.06026	0.9
110.07193	0.8
110.95386	0.4
110.97568	2.5
111.02915	0.4
112.07591	1.0
113.00874	0.4
113.53194	0.9
114.05544	0.9
114.09161	0.8
116.98672	0.4
119.01907	1.6
122.53741	0.7
123.06829	1.0
124.03918	0.6
124.04785	0.5
124.07596	12.8
124.08675	1.5
124.11234	3.5
125.02357	0.8
125.06050	0.8
126.05453	0.5
127.01527	0.7
127.03955	0.8
128.04561	1.2
128.05640	0.4
128.07077	2.4
128.95093	1.1
128.98627	1.7
129.00354	0.5
129.54399	0.5
131.01909	0.9
134.06017	69.1
135.06383	0.9
136.06180	1.6
137.05992	0.4
139.00287	1.3
139.03908	0.4
142.03543	0.6
142.04971	0.9
142.08652	3.0
145.03445	0.5
146.94897	0.4
146.96114	0.5
146.97339	0.7
146.99635	1.1
147.01398	1.1
152.07066	100.0
153.01880	1.0
153.05440	1.3
153.07397	1.9
158.06621	0.4
164.95912	0.5
165.00688	0.5
170.03069	0.9
170.08124	21.8
170.09415	1.7
170.11728	3.0
171.11453	0.4
176.07706	0.5
188.07710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
55.01878	1.0
55.29837	0.9
58.51758	0.9
58.98344	0.8
65.03940	9.1
67.01868	22.6
67.05502	5.2
68.94429	0.8
68.99796	4.0
70.40641	2.7
70.41002	1.5
81.07057	1.1
83.04963	2.4
85.02910	13.4
85.06495	0.9
93.03399	7.6
95.04972	7.1
100.01778	1.1
107.08559	1.1
109.02854	2.5
109.06509	1.3
109.10139	1.2
111.00781	1.2
111.04456	5.5
123.04425	30.3
123.08057	1.2
125.05982	2.9
127.03917	19.0
141.05437	1.7
151.03911	77.4
152.04205	1.6
153.67807	1.1
163.62463	1.2
169.04967	100.0
169.07561	4.7
169.12123	1.2
189.64771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
51.21475	0.4
53.03957	0.9
55.01876	1.7
55.05516	1.0
57.03446	0.5
57.98837	0.4
65.03951	2.5
67.01869	15.2
67.05506	5.4
68.99797	3.9
69.03418	0.9
69.07078	0.7
69.46258	3.2
70.06586	0.8
71.04978	0.4
79.05505	0.9
81.03420	1.6
81.07075	2.1
83.04987	1.7
85.02438	0.7
85.02912	8.3
88.32220	0.4
91.05508	0.5
91.90082	0.4
93.03411	1.3
93.07056	0.6
95.04973	9.4
95.08628	1.6
95.43141	0.4
97.02896	0.4
99.04461	1.2
100.07611	0.6
107.08569	0.6
109.02874	2.3
109.06547	1.2
109.10149	1.2
110.03628	0.4
111.00803	0.9
111.04475	3.2
111.08114	0.8
117.40649	0.4
122.05913	0.4
123.00787	0.6
123.04440	40.0
123.08048	1.1
123.11698	0.8
124.04746	1.0
124.55951	0.5
125.06014	1.0
126.03138	1.4
127.03927	15.8
133.02863	1.2
134.06023	0.5
141.05437	3.7
141.06967	0.9
142.08714	0.4
151.03914	67.5
151.11220	0.5
152.04295	1.4
152.07126	0.6
154.07787	1.5
163.97670	0.7
169.04974	100.0
169.07539	3.6
169.10107	2.5
170.05243	2.1
170.08138	0.8
170.09573	0.6
184.60579	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
55.01871	0.8
55.05495	0.6
58.73449	0.6
65.03933	2.2
67.01877	5.4
67.05498	3.8
68.99791	4.0
71.15230	1.2
72.08148	0.5
73.72343	0.6
81.03410	1.7
81.07008	0.7
83.04989	0.9
85.02905	1.0
93.03392	1.7
95.04977	8.2
99.04445	0.6
109.02895	3.0
111.00829	2.8
111.04440	2.0
122.56938	0.7
123.04436	41.6
123.08067	0.7
124.04763	1.1
126.03149	4.4
127.03937	11.7
133.02827	1.0
141.05473	8.4
145.96690	0.6
151.03911	55.6
152.04274	1.1
154.02640	0.6
169.04974	100.0
170.05276	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	169.0496
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
65.03931	2.1
67.01862	5.7
67.05495	3.9
68.99786	2.2
69.52913	1.0
69.75633	3.9
69.76036	2.1
81.07047	2.1
83.04998	1.3
85.06518	1.1
93.03418	1.1
95.04967	7.3
95.08600	1.0
107.08586	1.6
109.02886	1.7
109.06506	2.8
109.10136	1.5
111.04460	2.9
116.24930	0.9
123.04433	38.9
123.11720	1.0
123.37155	0.9
124.04694	1.0
127.03918	10.6
139.05751	0.9
141.05481	1.6
151.03909	54.7
151.11191	1.0
152.04204	1.0
169.04968	100.0
170.05347	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	2-(3,5-dihydroxyphenyl)acetic acid
Peak:m/z	Relative Intensity
51.02382	0.9
51.33153	0.3
52.16480	0.3
53.03952	2.2
55.01862	1.3
57.03437	0.4
65.03937	1.4
67.05186	0.4
67.05511	6.2
68.99788	1.2
69.07061	0.4
70.06590	1.1
70.17874	1.3
77.03928	5.0
79.05500	0.9
81.03415	0.9
81.07067	0.6
82.06608	0.3
83.04987	1.6
85.02906	1.2
85.94569	0.4
93.03477	0.4
95.04974	20.4
97.02902	0.8
97.49744	0.3
98.21392	0.4
105.03396	12.8
105.04534	1.0
109.02235	0.3
109.02842	1.9
109.06561	0.4
111.04448	0.5
112.59911	0.3
113.06024	0.5
123.04434	50.9
124.04752	1.1
124.07580	0.7
124.11248	1.9
125.02380	0.7
125.05965	0.3
126.03104	0.6
127.03904	1.1
133.02858	100.0
134.03204	2.1
134.06033	0.7
139.03928	0.7
140.04704	0.4
141.05461	2.3
147.29271	0.3
151.03906	14.6
152.04300	0.4
152.07057	1.2
156.24915	0.3
162.53934	0.3
163.97716	0.4
169.04953	7.6
169.06398	0.5
170.08177	0.4
170.11803	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.15255	0.4
54.06825	0.5
55.01861	0.6
58.98639	0.5
65.03944	2.1
66.64180	0.5
66.92116	0.5
67.01878	4.0
67.05515	4.1
68.99790	3.8
69.07071	1.5
71.02049	1.0
71.04977	1.0
78.46134	0.5
79.05460	0.9
79.69025	0.5
80.93291	0.5
81.03419	1.8
81.07056	3.1
83.04981	1.1
85.02894	1.7
85.06555	0.9
91.05534	0.6
93.03413	1.4
95.04978	7.5
95.08595	1.8
97.02866	0.6
97.06528	0.8
99.04449	0.9
105.03381	0.6
105.07061	0.6
107.08659	0.7
109.02876	4.3
109.06560	2.5
109.10162	0.8
111.00819	2.5
111.04440	2.1
113.06040	0.6
122.77185	0.5
123.04437	39.9
123.08047	1.8
123.11695	0.7
125.06010	0.8
126.03125	2.6
127.03933	12.2
127.07564	2.4
133.02863	1.8
134.05957	0.6
141.05476	8.4
151.03911	53.3
151.11287	0.8
152.04286	1.3
152.07065	0.7
154.02635	0.6
169.04976	100.0
170.05321	2.2
170.08006	0.8
185.46733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0657
Annotation	Orthoform
Peak:m/z	Relative Intensity
51.05919	0.2
53.03942	0.9
54.70427	0.2
55.01867	0.4
55.05504	0.4
57.07114	0.2
57.69891	0.2
57.90140	0.2
65.03946	1.0
67.01897	0.3
67.05496	0.8
68.99813	0.3
69.07061	0.8
69.23678	1.8
70.06586	0.5
79.05489	0.7
80.05020	1.9
80.05817	0.4
81.03415	1.0
81.05797	0.6
81.07037	0.4
82.94835	0.4
83.04959	0.4
85.02880	0.3
92.05006	0.6
93.03410	0.4
93.07001	0.3
94.02901	0.3
94.06564	0.7
95.01331	0.4
95.04983	0.9
95.08641	0.4
96.04492	1.1
97.08891	0.3
98.06046	0.4
103.85294	0.2
105.07085	0.2
107.08602	0.4
108.04491	6.8
109.02869	2.5
109.05302	0.4
109.06506	0.3
111.00789	1.1
111.04486	0.6
112.07629	0.5
122.02378	0.6
122.06035	1.1
122.09663	0.4
123.04437	1.3
123.08035	0.3
124.03964	0.3
126.03162	1.7
126.05524	11.9
127.03908	0.5
136.03949	2.4
138.05507	0.6
139.86780	0.2
140.03404	1.3
140.07076	1.1
140.53700	0.2
141.04355	0.3
141.05467	4.5
144.94827	0.4
150.01721	0.3
150.05527	0.9
150.09131	0.6
151.03912	1.6
153.04271	0.3
154.04990	3.6
168.06572	100.0
168.10217	1.9
169.05000	3.2
169.06903	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0657
Annotation	Orthoform
Peak:m/z	Relative Intensity
53.03998	0.9
56.96619	2.4
65.03989	0.3
67.05547	0.6
67.57427	0.2
67.92511	4.8
69.03487	0.3
69.07101	0.5
70.06647	0.4
70.92522	0.7
71.04997	0.3
72.05648	0.2
78.03492	0.5
79.05522	0.4
80.05021	2.2
81.03424	1.4
81.07117	0.3
82.06598	0.3
82.94844	8.2
83.05007	0.3
84.96073	0.4
85.02918	0.5
85.93610	1.2
91.05530	0.3
92.05004	12.0
94.06602	0.7
95.01391	0.7
95.05012	0.6
96.04546	1.1
97.06582	0.4
97.56519	0.2
98.06095	0.4
98.97632	1.1
99.04524	0.3
100.95910	0.6
108.04482	4.1
109.02946	1.2
110.06021	0.3
112.07653	0.5
119.01957	0.3
121.01678	0.7
122.06059	0.8
123.04487	0.8
123.97451	4.8
124.03970	1.1
126.05557	1.8
126.06660	1.5
126.93764	3.2
126.98644	0.3
127.03946	0.3
133.02872	1.0
136.03943	15.7
136.11230	0.6
138.12849	0.3
140.03383	0.4
140.07083	0.9
144.94818	4.7
144.95894	0.4
150.01860	0.6
150.05513	1.2
150.09195	0.5
151.03920	0.8
151.06149	0.8
151.07433	0.4
154.04993	100.0
155.05371	1.7
156.03319	5.1
162.95879	5.5
167.96381	1.7
168.03250	0.5
168.06552	11.8
168.08800	0.5
168.10156	1.4
168.13760	0.3
174.04393	3.7
185.97450	0.8
186.04335	1.1
187.10112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.3
55.01867	3.6
55.05513	50.4
55.20360	0.9
57.03431	4.5
57.07076	2.6
59.05008	5.1
60.21592	1.0
65.03924	3.7
67.05507	13.6
69.03432	14.0
69.07075	10.2
70.06574	1.0
71.04975	3.0
71.50617	1.5
77.03917	1.1
78.04718	14.4
79.05066	1.6
79.05495	15.6
81.03417	2.6
81.07065	13.0
83.04984	59.3
83.08620	19.8
85.06557	5.4
91.05487	8.3
93.03404	3.0
93.07046	16.5
95.04969	6.2
95.08611	10.8
96.05718	1.3
97.06535	5.8
97.10194	6.7
98.98442	1.2
99.08103	1.3
103.05465	1.4
105.07026	4.8
106.04203	5.9
107.04974	5.8
107.08601	23.2
109.02879	3.0
109.06528	7.0
109.10152	13.1
111.04441	3.7
111.08076	16.5
112.08861	4.7
113.09644	1.5
117.07509	0.9
119.08569	1.3
121.01670	1.4
121.02885	3.0
121.06510	5.6
121.08456	1.8
121.10146	17.5
123.04433	23.7
123.08063	4.3
123.11707	6.5
124.05222	9.5
125.05994	2.1
125.09627	10.1
131.08609	1.5
135.04453	1.3
137.02293	1.2
137.07970	1.6
138.03076	1.1
139.03914	2.7
139.07512	2.4
139.11224	2.2
149.02374	6.1
149.05972	1.8
149.09619	3.0
149.13271	5.5
151.03909	8.0
152.04701	9.6
157.04996	2.9
167.03387	12.2
167.07045	100.0
167.08730	4.9
167.10570	6.9
167.14331	23.1
167.15625	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.8
53.03930	3.4
55.01860	2.4
55.05511	9.0
57.03437	2.2
57.07061	1.5
58.71340	1.0
59.04987	1.6
65.03943	5.1
66.04696	1.6
67.05507	10.7
69.03424	2.3
69.07065	8.8
71.04993	8.1
71.50446	1.0
73.06544	3.2
77.03924	1.6
78.04713	13.2
79.01843	3.1
79.05068	1.4
79.05493	17.0
79.70116	0.7
80.02184	4.3
81.03415	2.6
81.07058	13.7
83.05008	4.1
83.08606	2.3
85.06522	1.5
88.07867	0.9
91.05486	8.4
93.03433	1.2
93.07053	22.6
93.25852	0.9
94.06552	1.2
95.04987	4.6
95.08611	28.2
96.05716	1.1
96.08118	2.0
97.02880	1.5
97.06529	4.9
97.72734	0.8
98.06078	0.8
105.03397	1.4
105.04453	1.4
105.07047	4.3
106.04195	6.9
107.04958	5.7
107.08599	19.2
109.02861	2.7
109.06509	3.3
109.10159	5.8
111.04443	3.9
111.08069	3.5
121.01659	1.1
121.02871	3.9
121.06504	5.8
121.07350	1.0
121.07624	0.9
121.08437	2.1
121.10139	14.7
122.09662	1.1
123.04436	24.6
123.08066	3.6
123.11681	2.3
124.05233	7.5
124.11240	1.3
125.02325	1.3
125.05991	2.0
125.09632	3.7
131.08554	1.6
134.03632	2.1
134.07983	1.0
135.04465	1.5
137.05974	1.0
137.07909	1.9
139.03975	4.0
139.07544	3.2
139.09491	0.9
139.11165	1.7
140.03456	1.1
143.03409	2.0
144.03838	1.9
149.02324	5.8
149.04892	0.9
149.06021	2.1
149.09610	3.6
149.13283	5.9
150.05460	1.0
150.09143	8.7
151.03937	4.8
152.04692	5.7
153.02977	1.2
154.03275	2.9
157.04964	1.7
167.03410	18.1
167.05382	12.7
167.07033	100.0
167.08736	4.7
167.10689	5.7
167.14291	5.3
168.10147	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03158	0.9
53.00305	1.3
53.03944	5.0
55.01856	2.6
55.05518	8.9
57.03437	3.2
57.07086	1.2
59.04983	2.3
65.03930	4.1
66.04721	0.9
67.01855	1.1
67.05508	14.5
69.03429	4.8
69.07072	13.3
71.05003	11.6
71.50722	1.0
73.06564	6.2
77.03942	1.0
78.04709	16.0
79.05496	18.2
80.05022	1.0
81.03420	2.9
81.06602	1.1
81.07065	18.3
83.04980	4.9
83.08614	4.2
85.06536	1.5
86.05184	0.9
91.05496	8.0
93.03401	2.2
93.07047	25.1
94.04182	1.6
94.06525	1.0
95.04966	6.0
95.08611	40.4
96.02154	1.6
96.04485	1.4
96.05752	1.4
97.02875	1.6
97.06534	5.6
97.10170	1.1
105.03404	1.7
105.04513	1.1
105.07030	3.5
106.04199	6.8
107.04940	5.0
107.08601	28.3
109.02886	2.2
109.06525	5.1
109.10165	9.7
111.04427	3.0
111.08105	5.9
121.01665	1.8
121.02902	4.8
121.06519	4.4
121.08435	2.1
121.10149	18.1
122.03651	1.0
122.06058	1.5
122.06981	0.9
123.03587	1.9
123.04436	26.1
123.08066	5.4
123.11710	4.8
124.05216	9.2
125.06004	2.3
125.09628	4.9
126.05492	1.1
131.08557	1.1
134.03635	1.4
137.05984	1.1
137.07846	1.0
139.03882	2.4
139.07498	2.5
139.11185	1.5
140.03404	0.8
144.03271	1.7
149.02379	6.0
149.05989	2.8
149.07924	1.2
149.09621	4.3
149.13286	9.1
151.03938	6.3
152.04691	8.4
157.04987	2.0
167.03401	10.2
167.07043	100.0
167.08647	4.2
167.10699	5.0
167.14323	7.5
168.07504	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.3
55.01867	3.6
55.05513	50.4
55.20360	0.9
57.03431	4.5
57.07076	2.6
59.05008	5.1
60.21592	1.0
65.03924	3.7
67.05507	13.6
69.03432	14.0
69.07075	10.2
70.06574	1.0
71.04975	3.0
71.50617	1.5
77.03917	1.1
78.04718	14.4
79.05066	1.6
79.05495	15.6
81.03417	2.6
81.07065	13.0
83.04984	59.3
83.08620	19.8
85.06557	5.4
91.05487	8.3
93.03404	3.0
93.07046	16.5
95.04969	6.2
95.08611	10.8
96.05718	1.3
97.06535	5.8
97.10194	6.7
98.98442	1.2
99.08103	1.3
103.05465	1.4
105.07026	4.8
106.04203	5.9
107.04974	5.8
107.08601	23.2
109.02879	3.0
109.06528	7.0
109.10152	13.1
111.04441	3.7
111.08076	16.5
112.08861	4.7
113.09644	1.5
117.07509	0.9
119.08569	1.3
121.01670	1.4
121.02885	3.0
121.06510	5.6
121.08456	1.8
121.10146	17.5
123.04433	23.7
123.08063	4.3
123.11707	6.5
124.05222	9.5
125.05994	2.1
125.09627	10.1
131.08609	1.5
135.04453	1.3
137.02293	1.2
137.07970	1.6
138.03076	1.1
139.03914	2.7
139.07512	2.4
139.11224	2.2
149.02374	6.1
149.05972	1.8
149.09619	3.0
149.13271	5.5
151.03909	8.0
152.04701	9.6
157.04996	2.9
167.03387	12.2
167.07045	100.0
167.08730	4.9
167.10570	6.9
167.14331	23.1
167.15625	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.3
55.01867	3.6
55.05513	50.4
55.20360	0.9
57.03431	4.5
57.07076	2.6
59.05008	5.1
60.21592	1.0
65.03924	3.7
67.05507	13.6
69.03432	14.0
69.07075	10.2
70.06574	1.0
71.04975	3.0
71.50617	1.5
77.03917	1.1
78.04718	14.4
79.05066	1.6
79.05495	15.6
81.03417	2.6
81.07065	13.0
83.04984	59.3
83.08620	19.8
85.06557	5.4
91.05487	8.3
93.03404	3.0
93.07046	16.5
95.04969	6.2
95.08611	10.8
96.05718	1.3
97.06535	5.8
97.10194	6.7
98.98442	1.2
99.08103	1.3
103.05465	1.4
105.07026	4.8
106.04203	5.9
107.04974	5.8
107.08601	23.2
109.02879	3.0
109.06528	7.0
109.10152	13.1
111.04441	3.7
111.08076	16.5
112.08861	4.7
113.09644	1.5
117.07509	0.9
119.08569	1.3
121.01670	1.4
121.02885	3.0
121.06510	5.6
121.08456	1.8
121.10146	17.5
123.04433	23.7
123.08063	4.3
123.11707	6.5
124.05222	9.5
125.05994	2.1
125.09627	10.1
131.08609	1.5
135.04453	1.3
137.02293	1.2
137.07970	1.6
138.03076	1.1
139.03914	2.7
139.07512	2.4
139.11224	2.2
149.02374	6.1
149.05972	1.8
149.09619	3.0
149.13271	5.5
151.03909	8.0
152.04701	9.6
157.04996	2.9
167.03387	12.2
167.07045	100.0
167.08730	4.9
167.10570	6.9
167.14331	23.1
167.15625	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03955	5.1
55.01874	5.4
55.05514	18.1
57.07070	1.7
59.05006	4.5
65.03945	23.8
67.05504	4.8
68.02647	3.5
68.99773	1.3
69.03416	3.8
69.07070	38.8
69.31155	5.9
69.31560	1.4
70.06556	0.9
71.01347	3.8
71.04991	0.9
77.03912	1.2
78.04712	2.2
79.01853	1.8
79.05492	21.4
81.03423	8.0
81.07056	14.6
83.01344	3.0
83.04989	9.7
83.08617	3.7
85.26694	0.9
91.05487	16.1
93.03405	4.2
93.07046	87.9
94.07379	1.0
95.04978	4.0
95.08611	12.0
96.02121	6.8
96.04510	0.8
97.06534	7.1
103.00626	0.9
103.05471	2.4
105.04516	1.6
105.07037	21.0
106.04211	1.5
106.07822	2.0
107.01316	2.8
107.04945	2.7
107.08618	6.6
109.02851	1.6
109.06519	3.3
109.10154	2.2
111.04449	10.0
111.08072	3.1
111.11749	5.7
119.08572	4.5
121.01713	0.9
121.02860	2.2
121.06513	6.9
121.08415	3.2
121.10150	100.0
122.10476	1.1
123.04428	6.1
123.08055	6.0
124.01557	4.8
124.05203	1.4
125.02360	4.0
125.06004	2.1
125.09605	1.4
131.08556	1.8
133.07614	3.7
139.03902	2.4
139.07571	1.6
139.09454	1.3
139.11174	3.5
140.07094	1.1
149.02325	2.9
149.05986	2.6
149.09636	16.6
151.03912	1.2
152.01042	3.9
152.04721	1.8
157.04971	36.5
167.03392	86.3
167.04552	7.6
167.07037	22.0
167.08540	1.2
167.09143	2.9
167.10670	34.2
168.03787	1.7
168.06413	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.3
52.69146	1.0
53.03954	6.0
54.79905	0.9
55.01877	6.1
55.05515	57.8
57.03426	3.5
57.07059	3.6
59.05001	8.6
65.03951	7.8
67.05175	1.6
67.05508	18.0
68.02641	1.6
68.99786	1.4
69.03435	19.7
69.07067	18.4
69.62814	1.9
69.63239	5.7
70.06570	1.3
71.01357	1.5
71.04987	5.5
73.06542	1.9
77.03923	1.1
78.04713	17.6
79.01853	1.0
79.05066	1.7
79.05492	20.8
80.05050	1.0
81.03407	4.3
81.07061	17.2
82.68154	1.1
83.01295	1.3
83.04985	65.6
83.08618	23.0
85.02861	1.2
85.06571	4.8
90.44387	1.0
91.05479	8.1
93.03408	3.7
93.07053	33.2
94.04214	1.8
94.07346	1.3
95.04983	7.2
95.08604	15.1
96.02093	2.2
96.04465	1.4
96.05730	1.5
97.02872	1.6
97.06535	8.9
97.10159	6.8
98.20850	2.1
99.04408	1.5
99.08079	2.1
101.29291	0.9
103.05466	1.5
105.03407	2.1
105.04509	1.6
105.07035	7.5
106.04176	5.7
107.01318	1.7
107.04960	8.6
107.08601	22.5
109.02882	3.2
109.06519	7.0
109.10156	12.6
111.04443	5.8
111.08084	20.4
112.08894	5.0
113.09644	2.3
119.08588	1.3
120.08124	1.3
121.01690	2.3
121.02872	3.8
121.06511	9.0
121.08443	3.4
121.10149	23.9
122.03658	1.5
122.06064	1.2
122.06890	1.3
122.09677	1.7
123.04440	33.4
123.08085	5.6
123.11730	7.5
124.05213	9.8
125.02402	2.8
125.05965	3.7
125.09647	13.9
126.05475	1.4
131.08499	1.9
134.03639	1.7
135.04419	2.1
135.09102	1.1
137.02365	1.3
137.05951	1.2
137.07913	1.3
139.03912	3.2
139.07536	2.5
139.11191	2.2
140.03429	1.3
140.07095	1.2
143.96693	1.2
144.03252	1.8
149.02350	5.7
149.05983	5.2
149.09634	7.6
149.13229	4.7
151.03905	7.2
152.01056	1.6
152.04698	7.8
157.04974	8.3
159.97960	0.9
167.03415	27.7
167.07043	100.0
167.08752	4.7
167.10585	12.5
167.11938	2.2
167.14323	28.7
168.06430	2.1
168.07655	1.2
168.10138	1.9
184.73460	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02377	0.3
53.00305	0.3
53.03946	1.5
55.01866	0.8
55.05506	0.9
57.03433	0.3
57.17273	0.3
58.91767	0.2
65.03931	1.1
66.04719	1.2
67.05515	1.4
68.99782	0.4
69.03432	0.7
69.07077	1.7
69.70771	1.7
71.04967	0.4
78.04717	17.4
79.05070	0.6
79.05497	6.6
80.04993	0.4
80.05825	0.3
81.03412	1.2
81.07066	2.6
83.04976	0.8
83.08619	0.9
84.93833	0.4
84.96035	1.1
85.02907	0.5
91.05469	2.0
93.03395	1.1
93.07049	4.5
94.04190	0.9
94.29702	0.3
95.04983	2.9
95.08623	0.6
96.04482	0.8
96.05759	1.0
97.02833	0.3
97.06533	1.0
98.06055	0.4
98.21490	0.6
98.98442	0.4
102.94843	0.4
105.03375	1.3
105.04511	0.8
105.07008	0.6
106.04184	7.2
107.04964	3.9
107.08598	2.1
109.02887	1.7
109.06508	1.1
109.10229	0.3
111.04454	1.1
111.08089	0.8
121.01681	0.9
121.02886	1.4
121.06525	1.5
121.08469	0.8
121.10149	2.5
122.03665	2.0
122.06055	0.3
122.06859	0.6
123.04436	29.6
123.08089	0.6
123.11690	0.4
124.05225	8.5
125.06015	0.8
125.96435	0.3
126.05524	0.7
134.03630	1.1
135.04417	1.2
137.02351	0.4
137.05983	1.2
137.07889	0.3
138.03081	0.5
138.05513	0.4
139.03889	0.5
139.07523	0.7
140.03392	0.8
141.35124	0.3
143.96706	0.6
144.03294	0.7
149.02394	2.1
149.05984	1.5
149.09648	0.6
149.13257	0.6
150.03008	0.3
151.03920	6.2
152.04712	6.5
152.06071	0.4
153.05049	0.3
160.01028	0.3
165.05603	0.4
167.03409	3.2
167.07050	100.0
168.04257	0.6
168.07497	1.7
168.10239	0.3
178.39917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02380	1.0
53.03952	5.7
53.83409	0.7
55.01876	5.2
55.05521	19.8
57.07058	2.4
57.58511	0.7
59.04994	3.4
65.03625	1.5
65.03951	26.8
67.05516	7.8
68.02661	3.7
68.99786	1.2
69.03422	3.7
69.07077	37.8
70.99610	2.0
71.01359	5.5
71.04990	1.1
78.04707	2.1
79.01852	2.2
79.05083	1.0
79.05504	18.3
81.03421	10.7
81.07069	11.6
83.01338	2.7
83.04554	1.0
83.04996	11.0
83.08614	3.3
87.02445	0.7
91.05494	12.8
93.03419	6.1
93.07056	69.8
94.07357	1.3
95.04973	5.0
95.08623	12.3
96.02135	7.9
97.06550	7.2
97.10162	1.1
103.05463	1.6
105.04541	1.8
105.07046	18.7
106.04155	0.8
106.07822	1.2
107.01319	3.9
107.04956	2.2
107.08607	8.7
109.02909	1.5
109.06534	1.5
109.10179	1.4
111.04462	9.9
111.08069	3.1
111.11743	5.3
119.08588	3.9
121.02917	1.3
121.06535	6.9
121.08417	2.7
121.10159	90.6
122.10517	1.1
123.04418	5.5
123.08081	5.1
124.00806	0.8
124.01592	5.0
124.05219	1.5
125.02355	5.1
125.06020	1.1
125.09644	2.2
131.08606	1.3
133.07599	2.1
135.08177	1.0
139.03893	3.4
139.09546	1.4
139.11166	2.6
143.62946	0.9
149.02356	2.8
149.05981	0.9
149.09637	15.3
149.13335	0.8
151.03874	0.9
152.01036	3.2
152.04718	1.2
157.04980	46.0
158.05287	0.9
167.03401	100.0
167.04570	11.3
167.07030	16.0
167.09134	2.2
167.10680	24.7
167.14322	1.9
168.03722	1.6
168.06493	1.3
168.10060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.36186	0.4
53.03951	3.7
55.01876	2.9
55.05516	1.1
65.03929	1.3
67.05499	1.7
68.99786	0.8
69.03423	1.0
69.07069	0.6
69.78938	0.5
69.79209	2.1
73.78170	0.4
77.03937	1.2
78.04718	6.0
79.05499	13.8
81.03419	1.1
81.07059	2.9
82.94875	0.4
83.04978	1.2
85.02929	0.5
91.05490	12.6
93.07051	17.7
94.06583	0.4
94.07376	0.4
95.04973	4.7
95.08620	0.9
97.06528	1.5
98.20860	0.6
99.04482	0.4
103.05481	2.0
105.03400	6.1
105.04523	1.5
105.07053	0.7
106.03698	13.1
107.04961	2.6
107.08599	2.2
109.02890	0.5
109.06522	0.9
111.04462	0.7
116.89606	0.5
121.01691	0.6
121.02886	4.7
121.06511	13.0
121.07388	0.7
121.08452	0.9
121.10139	2.5
122.03667	0.6
123.04441	11.3
123.08068	1.3
124.05237	2.8
125.05959	0.4
125.09681	0.5
131.08540	0.5
135.04428	0.6
137.05977	0.5
139.03900	1.1
139.07544	1.1
144.03291	0.7
149.02347	1.0
149.04865	0.4
149.06000	9.3
149.09621	0.7
150.06326	1.3
151.03905	2.1
152.04688	2.2
167.03435	2.6
167.07054	100.0
168.07411	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	4-Hydroxyhydratropate
Peak:m/z	Relative Intensity
50.01610	0.8
51.02376	1.0
53.00290	1.5
53.03950	13.3
55.01877	6.3
55.05514	6.9
57.03430	1.3
65.03944	5.0
67.05185	1.4
67.05511	16.6
68.99800	4.2
69.03437	4.0
69.07069	4.1
70.06586	1.3
71.01349	1.3
71.04998	22.1
75.46685	0.8
77.03923	3.5
78.04708	5.9
79.05070	1.2
79.05495	12.6
81.03426	4.0
81.07057	4.7
83.04977	10.9
83.08621	1.0
85.02908	2.4
91.05489	44.4
93.03404	0.9
93.07050	100.0
94.07362	1.5
95.04977	39.9
95.08623	4.1
97.02880	2.5
97.06521	5.5
99.03848	1.8
99.04464	27.2
103.05479	13.8
104.61595	0.8
105.03392	3.1
105.04510	5.5
105.07027	2.5
106.03658	6.1
106.04343	1.3
107.04958	7.2
107.08611	7.9
108.04459	0.9
109.06531	2.6
109.10164	1.2
111.04446	3.3
111.08073	3.2
119.04993	1.6
121.01620	1.7
121.02911	1.5
121.06514	85.2
121.08403	2.6
121.10103	5.9
122.06072	1.9
122.06888	2.7
123.04443	22.2
123.08074	1.8
124.05216	2.0
125.06008	1.4
125.09663	1.4
126.05529	0.9
131.04944	2.0
136.32365	1.0
137.06013	1.3
139.03966	1.3
139.07539	3.3
139.08536	1.0
140.03465	1.0
144.03241	0.9
149.02370	2.9
149.05994	57.1
149.09663	2.2
150.06413	1.5
151.03954	2.2
152.04672	2.9
157.04965	2.0
161.20042	0.9
167.03397	8.8
167.07057	47.4
167.08885	2.4
167.10690	2.3
167.14351	2.1
168.06526	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.034
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
51.02375	0.4
53.00304	0.5
53.03928	1.9
53.06721	0.4
55.01880	3.1
55.05274	0.7
55.05515	9.3
57.03434	0.5
59.04987	0.6
61.98681	0.4
65.03944	25.0
67.05516	2.0
68.02654	4.1
68.99784	0.8
69.03413	1.4
69.07070	7.3
70.56376	1.3
71.01354	6.1
78.04707	1.2
79.01836	1.9
79.05133	0.4
79.05504	4.3
80.04980	0.4
81.03422	7.0
81.07059	3.5
83.01333	2.8
83.04503	0.4
83.04989	7.1
85.06516	0.4
91.05492	2.9
93.03406	3.8
93.07045	14.6
95.04952	1.4
95.08601	2.3
96.02113	10.9
97.06537	1.5
105.07051	4.1
107.01317	4.2
107.08605	2.5
109.02866	1.3
111.04449	7.7
111.08074	0.8
111.11717	0.9
117.74712	0.4
119.08521	0.4
121.02882	0.6
121.06512	0.8
121.08446	0.7
121.10149	17.1
121.11042	0.8
123.04425	2.5
123.08067	1.0
124.01588	3.1
124.05256	0.7
125.02363	5.8
125.05946	0.4
130.07072	0.4
137.02350	1.1
139.03859	3.1
139.11168	0.6
149.02386	1.0
149.05991	0.5
149.09641	3.0
151.03842	0.5
152.01079	1.7
157.04976	42.7
158.05273	0.7
167.03392	100.0
167.04561	10.3
167.06979	9.1
167.10649	5.9
167.11928	0.6
168.03738	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
52.70613	0.2
58.07363	0.2
70.94328	0.2
70.94655	0.3
79.05494	1.4
91.05486	0.8
93.07046	2.6
95.04943	0.2
103.05468	10.9
107.04961	2.3
119.07267	0.2
120.08105	100.0
121.08430	1.6
131.04932	1.9
149.05989	0.6
166.08598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0865
Annotation	Tricaine
Peak:m/z	Relative Intensity
50.01598	0.2
51.02401	0.5
51.18361	0.1
53.03950	3.4
55.01910	0.2
55.05537	0.1
57.94849	0.2
65.03948	0.3
65.92642	0.5
67.05519	0.7
69.03420	0.2
69.07088	0.2
69.16711	1.4
74.89867	0.2
77.03933	1.2
78.04704	1.2
79.01869	0.2
79.05502	1.0
80.05014	0.7
80.05835	0.2
80.94968	0.8
81.03438	0.5
81.07050	0.3
83.04991	0.3
87.04456	0.1
91.05472	0.7
92.05801	0.7
93.07059	1.0
94.06587	0.2
95.04973	4.4
95.07363	0.2
95.08606	0.3
96.04531	0.2
102.01009	0.1
103.05484	0.5
105.03398	100.0
106.03676	1.6
106.06574	0.2
107.04952	0.5
107.08585	0.2
108.04475	0.5
110.06105	0.2
110.06855	0.2
110.09673	0.2
118.06542	0.3
119.04929	0.3
120.01997	0.3
120.04498	0.3
120.05282	0.9
120.08114	3.0
120.08932	0.3
121.02850	0.4
121.06515	2.1
121.10139	0.3
121.97565	0.4
122.06033	0.1
122.06818	0.1
123.04443	2.5
124.03961	0.2
124.05196	0.6
124.07582	0.3
124.93895	0.2
136.07587	1.0
137.05942	0.5
138.05489	0.6
138.09128	0.5
142.94942	0.4
142.96698	0.6
143.03549	0.3
143.08658	0.3
144.39543	0.1
148.04832	1.6
148.07565	2.7
149.05986	7.8
151.03868	0.6
152.04706	0.4
157.26401	0.2
160.95955	0.3
166.04849	1.0
166.07187	0.3
166.08609	5.4
166.12262	0.2
167.03432	0.3
167.07053	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	166.05
Annotation	4-Hydroxy-2H-1,4-benzoxazin-3(4H)-one
Peak:m/z	Relative Intensity
50.01593	1.5
51.02384	6.6
53.00288	0.5
53.03935	0.5
55.01868	1.2
55.05495	0.6
64.51840	0.4
65.03934	0.9
67.05495	2.1
68.05021	0.7
68.05830	0.7
68.99789	0.8
69.03439	4.2
69.07063	0.8
69.62228	0.5
69.72657	2.6
74.11946	0.4
78.04701	1.3
79.01859	55.4
79.05495	2.0
80.05016	4.1
81.03368	0.6
81.07042	1.6
83.04947	0.9
83.08593	0.8
83.93041	1.1
86.29830	0.5
87.00815	1.1
87.04441	0.8
91.05470	2.2
92.05785	1.0
93.07056	3.1
94.06583	1.5
95.01357	0.6
95.07336	0.6
95.08610	2.7
96.04498	0.7
96.05301	0.5
97.02901	9.0
98.06063	0.5
98.20866	0.5
103.05452	2.3
105.03439	0.7
105.07024	0.6
106.04221	0.6
106.06602	1.0
106.07309	0.8
107.00638	0.7
107.01324	11.1
107.04978	0.7
107.08606	1.4
108.04455	0.7
109.10117	0.5
110.06065	1.0
110.09679	0.8
110.10438	0.5
118.06572	0.9
120.04459	0.7
120.05271	2.0
120.08118	11.8
120.08936	0.6
121.06509	6.3
121.10146	1.1
123.00806	2.0
123.04465	3.0
123.08071	0.9
124.03958	0.9
124.05187	1.1
124.07574	0.8
125.02353	16.2
136.07588	8.9
137.05998	0.6
137.55212	0.5
138.05487	2.9
138.09097	2.4
142.94908	0.7
142.96703	2.9
143.03404	30.1
148.04811	4.1
148.07591	2.7
148.12050	0.6
149.02370	0.8
149.06009	1.1
152.81734	0.6
153.02960	33.0
166.05008	100.0
166.08624	28.9
166.12120	0.9
167.03433	1.9
167.05373	1.5
167.07042	10.4
172.41612	0.6
181.30623	0.5
181.54739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03936	3.1
55.01884	6.2
55.05519	9.8
55.05742	2.0
56.92022	1.1
57.03427	5.7
57.07059	1.6
59.33067	1.1
65.03933	3.8
67.05508	54.6
69.03434	7.8
69.07083	11.9
71.04983	3.6
71.51656	1.9
79.05499	42.9
80.05009	2.9
80.05791	1.2
81.03416	3.5
81.07061	100.0
82.07404	1.8
82.79231	1.4
82.99849	1.7
83.04976	12.3
83.08567	1.4
83.93031	1.5
85.06528	5.6
91.05488	65.1
93.07054	40.2
95.04987	15.9
95.08614	32.6
97.06542	11.8
99.08064	1.7
101.00888	13.0
101.94093	1.3
103.05444	2.7
105.04548	1.5
105.07035	64.0
106.07362	1.6
107.05000	1.9
107.08608	24.1
109.06532	22.5
109.10167	12.2
111.08096	1.5
117.07063	2.7
119.01940	33.1
119.04949	51.3
119.08586	57.0
120.02016	1.3
120.08108	8.7
120.08902	2.5
121.06493	6.6
121.10151	48.6
122.07316	3.2
122.10430	1.6
123.04458	19.7
123.08079	12.2
123.11729	11.0
124.02486	2.6
127.07610	1.5
136.07565	5.0
137.03044	6.7
137.05986	8.0
137.09621	15.1
137.13300	2.4
142.03506	23.3
142.96724	8.1
143.06845	1.3
147.04427	90.7
147.08073	2.2
147.11697	94.9
148.12051	2.0
160.04532	4.6
165.01819	3.2
165.05547	18.1
165.09120	26.8
165.12764	88.9
166.04973	2.2
166.08638	13.9
166.13071	3.8
169.65315	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
51.02364	1.1
53.03939	2.5
55.01878	4.6
55.05512	10.1
57.03437	8.7
57.07053	1.1
57.97878	0.9
65.03931	4.0
67.05505	47.2
69.03426	9.4
69.07063	11.2
69.70540	6.0
71.04980	3.4
77.03926	1.0
79.05495	45.3
80.05000	2.1
81.03407	2.5
81.07059	100.0
82.06541	1.0
82.07381	1.4
83.04988	11.2
83.08595	3.0
83.93033	1.4
84.94045	0.9
85.06562	5.6
91.05484	63.1
92.05793	1.3
93.07048	45.5
95.04971	13.5
95.08608	29.3
97.06532	11.0
99.08110	1.2
101.00888	10.0
101.02524	1.1
103.05466	2.3
105.04506	1.3
105.07034	66.5
107.04981	1.1
107.08598	25.0
108.05708	1.0
109.06516	19.6
109.10152	8.3
117.06992	2.4
119.01931	21.5
119.04948	41.4
119.08582	53.8
120.08080	4.5
120.08870	1.5
121.06497	2.9
121.10143	52.6
122.07309	1.7
123.04472	4.6
123.08054	12.0
123.11710	8.2
124.02431	2.0
125.58550	1.1
136.07567	3.2
137.03044	5.2
137.05994	3.4
137.09636	9.0
137.13266	1.9
138.05499	1.1
142.03494	15.5
142.59248	1.0
142.96681	6.6
145.10141	1.4
147.02629	1.5
147.04414	70.4
147.11691	90.6
148.04745	1.7
148.07544	1.5
148.12018	1.4
160.04568	3.4
165.01849	2.3
165.05629	4.9
165.07625	1.5
165.09109	16.0
165.12756	89.0
165.98222	1.3
166.04979	1.6
166.08627	12.8
166.13112	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	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03933	2.9
55.01859	4.5
55.05520	8.7
57.03441	7.9
57.07067	1.7
59.04991	1.6
65.03931	4.2
67.05506	46.4
69.03432	11.8
69.07060	7.8
70.56851	3.4
71.04990	2.3
77.03900	2.2
79.01852	6.8
79.05495	38.7
80.05022	2.2
81.03408	3.0
81.07061	74.9
82.07392	1.2
83.04985	11.3
85.06532	4.6
91.05486	73.5
92.05820	1.3
93.07046	41.9
94.04211	1.4
95.04978	17.7
95.08610	27.6
97.06544	9.9
101.00879	5.7
103.05430	4.3
105.07034	66.8
107.01365	1.5
107.04966	2.0
107.08591	26.0
108.75686	1.4
109.06526	20.3
109.10149	18.9
117.07032	2.6
119.01942	14.9
119.04114	2.7
119.04946	48.4
119.08586	55.9
120.08107	23.0
120.08931	2.0
121.06540	5.3
121.10150	48.2
122.07311	9.7
122.10518	1.4
123.04442	5.2
123.08057	14.6
123.11707	10.3
133.02864	2.2
133.06479	2.5
136.07570	4.6
137.06012	10.1
137.09627	33.8
137.13268	2.1
138.05486	2.5
142.03511	9.4
142.96719	2.7
143.03412	3.0
145.10069	2.6
147.04419	100.0
147.08067	3.4
147.11694	80.4
148.04819	2.8
148.11974	1.9
153.02927	3.2
160.04584	1.6
165.01884	4.5
165.05530	13.5
165.07553	2.6
165.09114	58.1
165.12769	78.2
166.05003	9.5
166.08586	16.5
166.13176	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03949	2.9
55.01871	3.7
55.05513	6.9
57.03444	6.8
57.07088	1.7
62.39041	0.6
65.03957	2.1
65.73055	0.6
66.67957	0.6
67.05507	43.8
69.03439	4.9
69.07074	7.6
69.83268	2.0
71.04998	3.0
75.54414	0.5
77.03933	0.9
79.05496	37.3
80.05858	0.6
81.03422	1.1
81.07060	76.3
82.07410	1.7
83.04983	8.1
83.08621	2.0
85.06539	5.9
89.65549	0.6
91.05486	42.9
92.05828	0.9
93.07045	41.6
95.04964	9.4
95.08611	21.7
97.06531	9.5
99.08086	2.0
101.00890	1.7
103.05495	1.5
105.07035	69.0
106.07393	2.0
107.04956	1.2
107.08599	23.2
107.29076	0.7
109.06528	14.0
109.10157	7.9
111.08090	0.9
117.07023	2.5
119.01934	3.3
119.04964	9.9
119.08584	57.6
120.08117	1.4
120.08900	1.6
121.06527	0.7
121.10146	62.3
122.07311	2.3
122.10502	1.7
123.04439	1.0
123.08076	8.7
123.11703	9.5
124.02466	0.7
132.09431	1.0
135.02028	0.6
136.07607	1.0
137.05954	2.0
137.09621	12.0
137.13248	1.5
142.03514	2.4
142.96725	1.2
145.10152	2.0
147.04420	18.7
147.11691	100.0
148.11983	2.9
160.04556	0.7
165.01796	1.5
165.04314	0.8
165.05492	1.8
165.07513	1.3
165.09105	15.1
165.12759	90.5
166.08629	3.4
166.13095	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03946	3.4
54.07569	0.8
55.05510	3.1
57.03424	1.7
65.03931	2.8
66.16455	0.8
67.05186	1.3
67.05515	17.0
68.52884	0.8
69.03428	3.2
69.07075	1.1
70.23203	2.4
70.23605	1.9
77.03934	1.1
79.05502	35.8
80.05012	2.1
81.03416	2.6
81.07064	100.0
82.07387	0.9
82.81632	0.9
83.04987	1.9
83.93043	2.1
91.05489	28.1
92.05826	1.1
93.07045	6.0
95.04975	6.3
95.08059	1.6
95.08614	18.1
96.08949	1.1
97.06525	0.9
98.21525	1.1
100.00262	0.9
101.00883	9.2
103.05455	1.0
105.07039	14.7
107.04948	1.6
107.08604	55.9
107.34814	0.9
109.06530	39.1
109.10178	5.2
115.96452	1.0
118.06525	1.1
119.01932	24.1
119.04957	40.2
119.08575	12.9
120.08145	7.1
121.06516	2.7
121.10161	3.0
122.07281	3.0
123.04431	2.0
123.08080	76.0
123.11710	4.1
124.02427	1.8
124.08386	1.3
127.06635	2.2
127.07566	36.3
133.02792	1.2
136.07620	4.9
137.03098	4.8
137.05969	3.0
137.09630	10.4
137.13205	0.9
142.03500	16.3
142.96687	7.4
146.91208	0.8
147.04422	75.9
147.08035	2.1
147.11703	43.7
148.04716	1.9
148.07547	1.0
148.12045	1.3
160.04581	4.2
165.01857	2.7
165.05594	6.5
165.06667	1.2
165.07558	2.0
165.09087	19.7
165.12766	91.3
166.05038	2.3
166.08649	12.9
166.13104	1.8
167.89868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
51.02376	0.7
53.03948	3.2
55.01874	4.0
55.05515	8.0
57.03440	6.1
57.07066	1.1
65.03938	1.8
67.05508	48.2
69.03429	5.8
69.07072	8.0
69.82045	2.4
69.82459	1.3
70.37423	0.6
71.05016	3.6
71.05362	0.7
72.94514	0.6
76.33154	0.6
77.03940	0.7
79.05496	36.4
80.05030	1.2
81.03438	1.5
81.07060	77.2
82.07391	1.4
83.04986	10.1
83.08626	1.1
85.06544	5.9
91.05484	49.8
92.05788	0.9
93.07046	39.1
93.67410	0.7
94.07348	0.8
95.04980	10.7
95.08612	24.9
97.06540	10.6
99.08103	1.7
101.00880	3.3
103.05491	1.8
105.04546	1.7
105.07036	73.1
106.07371	1.7
107.05000	1.0
107.08601	26.2
109.06525	15.7
109.10151	9.6
111.08106	0.7
116.71848	0.6
117.07024	1.9
118.06516	0.7
119.01963	4.4
119.04954	14.7
119.08588	59.6
120.08105	2.2
120.08893	1.2
121.06543	1.7
121.10148	61.4
122.07288	3.0
122.10442	0.8
123.04410	1.2
123.08067	9.2
123.11713	8.6
124.02410	0.8
129.72562	0.6
131.08551	1.0
136.07599	1.7
137.06006	1.6
137.09619	13.8
137.10602	1.1
137.13248	2.4
142.03519	2.8
142.96684	1.1
143.05383	0.9
145.10086	2.3
147.04417	25.0
147.11693	100.0
148.12022	3.5
159.09137	0.7
165.01875	1.4
165.05437	2.3
165.07623	1.4
165.09114	22.8
165.12762	86.5
166.04948	0.9
166.08542	5.5
166.13084	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	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.87232	1.2
52.21397	1.2
53.03954	7.7
55.01870	2.3
55.05507	5.7
57.03434	2.9
57.07077	3.6
57.45070	1.2
59.04989	2.5
60.69509	1.6
65.03947	2.9
67.05511	22.6
69.03429	27.8
69.07076	9.4
71.04983	1.4
71.50355	1.4
71.50738	1.8
79.05499	14.7
80.05017	2.9
81.03422	21.4
81.07064	32.1
81.67829	1.2
83.04984	6.0
87.05203	1.3
91.05486	38.9
91.22612	1.3
92.05814	1.8
93.07056	11.1
94.42474	1.5
95.04970	22.0
95.08617	31.5
97.06536	2.5
101.00883	5.8
103.05492	2.5
105.03418	1.6
105.07034	19.1
107.04986	2.3
107.08603	15.0
108.03670	1.3
109.06515	24.6
109.10169	9.3
110.07336	2.6
110.10522	1.4
117.07019	2.9
119.01929	9.9
119.04948	45.8
119.08575	19.9
120.05276	2.0
120.08152	7.4
120.08843	1.3
121.06520	3.9
121.10149	10.1
122.03666	3.4
123.04447	22.1
123.08079	41.7
123.11712	12.8
123.63275	1.3
124.02441	2.3
124.51255	1.5
133.02887	3.6
133.06496	2.1
136.07581	5.9
136.08568	1.3
137.06001	10.5
137.07965	2.5
137.09615	10.3
137.13254	4.0
138.09216	1.4
142.03491	6.6
142.96738	2.4
147.04419	80.2
147.08049	4.4
147.11708	11.6
148.04736	3.0
148.07581	2.0
165.01854	3.1
165.04173	2.2
165.05502	29.9
165.06973	2.3
165.07643	2.9
165.09087	13.5
165.12764	100.0
166.04984	3.0
166.08656	16.4
166.13086	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	165.0912
Annotation	4-(4-Methyl-1,3-pentadienyl)-2(5H)-furanone
Peak:m/z	Relative Intensity
51.02373	0.7
53.03951	4.8
55.01873	6.1
55.05508	2.2
57.03440	0.8
65.03943	5.5
67.01888	0.8
67.05507	26.2
68.99791	0.8
69.03428	3.4
69.07062	1.0
70.09084	0.6
71.04987	0.7
71.50961	1.2
71.51314	0.7
77.03938	2.1
79.05496	30.1
81.03425	26.1
81.07061	43.1
82.07374	1.0
83.04987	9.3
85.02885	0.8
87.59304	0.6
88.51694	0.6
91.05486	34.4
93.03371	0.9
93.07044	6.6
94.04178	2.0
94.63713	0.5
95.01336	25.6
95.04974	68.3
95.08611	3.4
96.05357	1.0
99.71220	0.7
101.00891	3.9
103.05479	10.7
105.03410	1.1
105.04536	1.9
105.07037	100.0
106.07357	2.0
107.04951	2.5
107.08598	2.7
109.02889	1.8
109.06522	23.6
109.10142	3.2
111.04424	1.1
115.05467	2.1
117.07064	1.2
119.01954	7.1
119.04948	32.2
119.08591	5.5
120.08137	3.8
121.06490	3.1
121.10157	2.2
122.03664	5.6
122.07256	0.9
123.00796	1.3
123.04438	6.8
123.08075	4.5
123.11721	1.5
124.05246	3.6
133.06499	72.0
134.06795	1.4
135.04463	1.1
136.07635	1.0
137.05986	87.1
137.09604	2.3
138.06337	1.8
138.09140	1.4
142.03514	4.7
142.96700	1.2
146.95775	0.6
147.04416	43.0
147.08064	2.5
147.11673	1.8
148.04808	0.7
150.06770	1.4
160.04607	1.0
165.05486	68.1
165.07484	4.0
165.09119	21.5
165.10078	1.0
165.11485	0.9
165.12732	5.6
165.56546	0.6
166.04926	1.0
166.08658	5.4
182.14969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
51.55122	0.4
53.03942	1.2
54.03471	0.9
55.01842	0.7
55.02973	0.5
55.05518	2.9
56.01384	1.5
56.05038	3.5
65.03934	1.0
67.05508	19.7
68.05013	1.8
69.03426	1.7
69.04561	1.0
69.07056	1.1
70.06583	1.6
70.76283	1.0
72.08080	0.4
79.05501	2.7
80.05000	1.4
81.03419	0.9
81.04543	2.9
81.07056	7.8
82.05286	0.5
82.06580	1.6
82.64386	0.5
83.02473	13.8
83.04994	3.7
83.06100	4.9
84.04517	1.0
84.06866	0.6
85.07680	0.7
85.79057	0.4
91.05482	6.6
93.07023	2.0
94.06561	0.5
95.04988	2.4
95.06082	1.5
95.08611	2.8
95.09146	0.4
97.07655	2.9
98.07176	2.5
101.87554	0.4
103.05453	1.2
104.06268	1.1
105.07028	1.0
107.04952	3.5
107.06055	2.0
107.08593	1.4
109.06523	1.0
109.07631	1.4
109.10166	19.7
110.07143	1.2
110.08412	0.5
111.07937	1.4
111.09190	0.8
112.08702	0.7
117.06999	1.0
119.04952	3.0
119.08594	16.5
120.08108	0.7
121.06538	2.5
121.07607	1.0
122.07272	18.8
123.06672	2.0
123.08008	1.3
123.09194	2.6
124.05103	4.8
124.07795	0.5
124.08725	9.6
125.09497	2.6
136.07626	0.6
136.08694	1.2
137.06050	1.0
137.09624	49.3
138.05574	0.9
138.06616	0.8
138.10155	2.0
147.04431	6.5
147.06525	0.6
147.08018	0.7
148.08681	4.2
163.86588	0.5
165.07806	5.2
165.09117	100.0
165.11212	12.8
166.04956	0.9
166.08531	1.6
166.09567	1.7
168.41948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	beta-Thujaplicin
Peak:m/z	Relative Intensity
51.51930	0.7
53.03940	1.1
54.03457	1.9
55.05516	4.3
56.01385	1.4
56.05033	5.1
58.06584	1.2
59.06101	1.1
65.03938	0.9
67.02986	1.3
67.05506	20.3
68.05032	3.6
69.03397	1.0
69.04556	0.8
69.07049	1.1
69.64863	3.2
69.65269	1.4
70.06596	1.5
72.79752	0.8
74.04980	0.7
79.05502	3.9
80.05007	1.3
81.04549	4.5
81.07056	9.6
82.06569	2.2
83.02464	21.7
83.04985	5.7
83.06111	8.4
83.06915	0.8
83.93036	0.8
84.06879	0.9
85.07641	0.7
88.44524	0.7
91.05482	12.2
93.07021	3.1
95.04974	4.3
95.06087	2.5
95.08589	2.9
96.05646	1.1
97.07642	3.8
98.07212	3.5
103.05466	1.2
105.07031	2.0
107.04976	3.5
107.06047	5.5
107.08568	2.3
109.06529	1.7
109.07604	1.7
109.10159	19.2
110.07156	2.1
111.07947	1.1
111.09229	1.2
117.06992	2.1
119.04951	4.3
119.08583	18.1
120.08078	2.2
121.06489	3.2
121.07592	1.9
122.07244	20.6
123.04351	1.3
123.05787	0.7
123.06676	3.0
123.07979	2.9
123.09203	4.2
124.05084	6.9
124.08714	13.2
125.09493	4.5
133.02846	0.9
136.08676	2.1
137.05991	2.2
137.09613	50.1
138.10167	3.7
142.96619	1.6
147.04419	10.1
147.08066	1.3
148.08684	6.9
158.39691	0.7
165.01851	1.0
165.07713	7.4
165.09106	100.0
165.11244	16.1
165.12724	1.8
166.05035	1.1
166.08626	3.4
166.09686	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	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03944	1.1
53.41508	0.3
53.72217	0.3
55.01859	0.4
55.05506	0.7
57.03439	0.3
57.07067	0.3
65.03936	2.1
65.10815	0.3
67.05508	4.2
68.99773	0.4
69.03433	1.1
71.49894	0.3
77.03931	0.4
79.05493	2.9
79.82552	0.3
80.05059	0.3
81.03430	2.8
81.07059	6.3
83.04982	1.1
91.05486	30.4
92.05828	0.5
93.07054	1.8
95.01326	3.7
95.04972	10.6
95.08595	1.3
97.06545	0.4
98.97572	0.5
101.00879	2.0
103.05468	1.2
105.03399	1.0
105.04504	0.4
105.07043	2.3
107.04932	0.7
107.08606	0.8
109.02950	0.3
109.06533	3.6
109.10168	1.4
117.07034	0.3
119.01939	4.4
119.04948	57.1
119.08583	2.6
120.04520	0.4
120.05313	1.3
120.08112	1.2
121.02818	0.3
121.06509	0.7
121.10140	0.8
123.04436	5.7
123.08049	1.6
123.11717	0.4
133.02850	0.3
133.06479	1.0
136.07556	0.7
137.03056	0.4
137.05986	4.2
137.07899	0.4
137.09586	1.3
138.05463	0.4
142.03522	2.7
147.04414	100.0
147.11690	0.6
148.04771	1.5
160.04526	0.5
165.01804	0.5
165.05475	16.1
165.06602	1.2
165.07599	0.8
165.08981	2.2
165.12782	1.3
166.08611	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	beta-Thujaplicin
Peak:m/z	Relative Intensity
54.03455	1.9
55.05500	2.6
55.89727	0.7
56.01373	0.8
56.05041	4.6
58.06591	0.7
60.20355	0.7
65.03926	2.1
67.02996	1.1
67.05509	23.4
68.05021	2.2
69.03420	1.7
69.04572	0.8
69.07061	1.1
70.06594	2.0
71.11768	1.3
79.05492	3.4
80.05001	1.7
81.04550	3.9
81.07062	8.5
82.06582	1.8
83.02472	9.1
83.04984	6.2
83.06107	7.3
84.06867	0.9
85.07671	1.7
91.05493	10.2
93.07038	2.0
94.07808	0.8
95.04977	4.2
95.06085	2.3
95.08601	3.1
96.05618	1.2
97.07666	3.8
98.07177	3.6
103.05498	1.3
105.07020	1.7
107.04958	4.1
107.06078	3.0
107.08583	2.3
109.06500	2.7
109.07653	1.4
109.10166	21.2
110.07171	2.4
111.07959	1.7
111.09195	1.2
117.07018	0.9
119.04960	7.1
119.08588	18.0
120.05577	0.7
120.08094	2.3
121.06498	2.9
121.07634	1.7
122.07261	18.0
123.04452	0.9
123.06658	2.4
123.07974	1.4
123.09213	4.1
124.05106	3.6
124.08720	11.7
125.07063	1.2
125.09504	3.2
136.07628	1.1
136.08707	1.0
137.06009	1.8
137.09622	52.9
138.06693	0.8
138.10205	2.7
147.04428	13.9
147.08075	0.8
147.11691	1.2
148.08664	5.5
159.72910	0.8
165.01840	0.9
165.07799	4.9
165.09116	100.0
165.11368	16.4
165.12750	2.7
166.08636	3.4
166.09773	1.6
184.44734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86267	0.5
69.35665	3.4
82.01458	1.1
82.99839	11.4
100.02466	1.2
101.00880	72.2
102.00979	1.6
111.00442	1.1
119.01920	100.0
120.02029	2.1
124.02457	13.5
137.02962	13.2
142.03497	83.3
143.03610	3.5
160.04546	11.4
165.05095	1.0
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
53.52899	0.7
56.96572	1.0
60.17910	0.5
65.84181	0.6
65.92647	0.8
69.03442	0.8
69.73238	0.6
70.44801	1.9
80.94975	1.8
81.03433	0.7
82.01463	1.1
82.99849	10.0
91.05508	1.2
95.04965	0.9
95.06487	0.7
95.57907	0.6
100.02486	0.9
101.00892	76.2
102.00961	1.3
111.00465	0.7
119.01933	100.0
119.04929	1.6
120.02067	2.6
121.97596	0.8
122.28289	0.7
123.04450	1.4
124.02456	14.5
137.02979	14.7
141.79343	0.6
142.03513	81.9
142.94975	0.9
143.03627	2.3
147.04424	2.6
160.04562	11.1
160.96075	0.6
161.81760	0.6
165.05153	1.2
166.07246	0.8
166.08566	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.3
53.03943	1.2
55.01868	0.7
55.05511	0.5
63.84972	0.3
65.03940	2.3
65.92644	0.3
67.05508	5.0
69.03436	2.0
69.07073	0.3
69.84863	1.2
71.04980	0.3
71.25468	0.3
79.05499	3.1
80.05031	0.4
81.03419	3.0
81.07065	5.6
82.99855	0.3
83.04984	1.0
85.02896	0.4
91.05483	35.6
92.05813	0.8
93.07053	1.6
94.04163	0.4
95.01330	3.9
95.04973	10.3
95.05573	0.6
95.08611	1.4
97.06554	0.3
98.39742	0.3
101.00890	2.5
103.05447	0.7
105.03407	0.5
105.04527	0.3
105.07043	3.6
107.04968	0.8
107.08598	1.1
109.02908	0.4
109.06539	3.6
109.10154	1.1
110.06016	0.4
117.06973	0.4
119.01937	6.6
119.04945	55.1
119.08582	3.3
120.05293	1.2
120.08113	1.5
121.06526	1.4
121.10151	0.9
123.04455	2.6
123.08083	1.7
123.11704	0.5
124.02482	0.4
133.02869	1.1
133.06494	1.1
136.07581	0.7
137.02972	1.0
137.05986	4.0
137.07935	0.5
137.09633	1.2
138.05519	0.7
138.09163	0.6
142.03514	3.9
142.96735	0.5
147.04416	100.0
147.11691	0.9
148.04785	2.2
148.07597	0.3
149.05949	0.3
160.04552	0.6
165.01842	0.8
165.05484	13.3
165.06889	0.6
165.07451	1.0
165.09125	3.2
165.10298	0.4
165.12746	1.7
165.13933	0.3
166.04994	0.9
166.08606	2.2
172.15804	0.3
179.62286	0.3
182.82950	0.3
183.11472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0934
Annotation	6-Dimethylaminopurine
Peak:m/z	Relative Intensity
52.09915	0.2
57.51404	0.2
57.82836	0.2
58.15503	0.2
63.92651	0.3
63.92953	3.4
64.00397	0.2
68.05052	0.2
69.85987	1.0
71.06124	1.4
76.96109	0.2
77.56574	0.2
78.95282	5.8
80.05040	0.3
80.28793	0.2
81.93987	0.7
91.05492	1.2
93.04514	0.2
93.07032	0.3
94.04082	1.1
95.04999	0.3
96.05627	0.6
96.10311	0.2
96.96326	0.3
97.36687	0.2
98.20880	0.3
101.00887	0.5
107.04959	0.3
108.04403	0.4
108.05440	0.2
108.08092	0.4
118.03700	0.4
118.06577	0.4
119.01910	0.9
119.03544	0.3
119.04931	1.6
119.97915	3.3
120.04340	1.5
120.05612	0.4
121.05134	3.3
121.06525	0.4
122.05948	0.8
122.94227	2.5
123.06691	1.7
135.06673	0.3
136.03911	0.5
136.04790	0.4
136.07571	2.9
137.06007	0.4
137.08205	0.7
140.95261	3.6
142.03491	0.5
146.06033	0.4
147.04437	2.5
149.06985	3.2
152.03310	0.6
158.96332	3.4
162.07802	2.4
163.96838	0.8
164.04437	1.5
164.07077	5.1
164.09332	100.0
165.07474	0.2
165.09752	1.4
181.98004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
53.03942	6.8
55.01865	2.7
55.05270	1.2
55.05513	13.5
57.07079	5.2
64.93068	0.8
65.03938	2.0
67.05518	5.2
69.03419	4.0
69.03793	0.8
69.05356	2.1
69.07072	38.5
72.34692	0.8
77.03925	3.6
78.30849	1.0
79.05497	28.8
81.03423	1.5
81.07050	13.3
83.04994	1.3
83.08620	10.3
85.02944	0.8
89.03926	4.3
91.05486	24.0
92.02644	2.1
93.07047	44.0
95.04973	7.9
95.08607	11.8
98.20725	1.9
99.06385	6.2
103.05474	43.4
105.03421	2.3
105.04527	4.4
105.07039	23.8
106.06589	1.4
107.04965	15.3
107.08598	100.0
108.08846	1.9
108.09444	2.6
109.06516	3.8
109.10169	2.9
115.05469	3.1
117.03378	2.2
117.06998	8.0
119.04926	2.2
119.06093	1.6
119.08585	12.4
120.05701	1.2
121.06531	6.3
121.10149	93.9
122.10509	1.1
123.08104	2.3
130.06541	4.0
130.07784	2.3
131.04933	45.7
132.08095	3.7
133.02863	12.0
133.06525	2.1
133.07600	2.0
133.10088	1.7
135.04427	17.1
135.08080	6.9
135.10701	2.0
135.11693	26.7
135.47505	0.9
136.07576	1.9
145.02864	3.3
145.06567	3.4
145.10138	8.3
148.08864	2.0
150.52632	1.0
163.03914	63.1
163.07538	23.7
163.08632	1.5
163.11180	37.3
163.12357	2.8
163.14832	31.6
163.15884	0.7
164.07024	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	164.0708
Annotation	3-Methyldioxyindole
Peak:m/z	Relative Intensity
53.03941	0.4
54.53460	0.2
55.01874	0.3
55.05507	0.4
56.07286	0.2
56.39424	0.2
61.01155	1.2
63.92964	0.4
64.14321	0.2
65.03944	0.5
67.05498	0.7
68.05023	0.4
69.03428	0.5
69.85370	1.0
70.06607	0.3
78.95275	1.0
78.95681	0.2
79.05482	0.9
80.05006	0.4
80.05840	0.2
81.03401	0.4
81.05786	0.2
81.07052	0.8
83.04975	0.2
85.02904	0.3
89.03899	0.2
91.05489	5.9
92.05832	0.5
93.05772	0.3
93.07044	0.7
94.06575	0.5
94.07346	0.2
95.04987	1.2
95.08597	0.3
98.06004	0.3
100.02498	0.3
101.00859	0.4
103.05470	0.8
104.01721	0.2
104.05800	2.0
105.07033	0.8
106.06596	0.4
106.07357	0.2
107.04948	0.3
107.08627	0.5
108.04531	0.3
108.05273	0.5
108.08115	1.2
108.08852	0.3
109.06526	1.5
118.03594	0.4
118.06560	3.4
118.07353	0.3
119.01958	1.1
119.04954	4.8
119.08588	0.6
119.97891	0.7
120.08112	0.5
121.06528	0.5
122.06017	0.6
122.10484	0.4
122.94196	0.6
123.04474	0.9
129.00090	0.4
131.04927	0.4
132.05280	2.3
133.06560	0.3
133.08423	0.2
134.03220	0.2
135.04459	0.4
136.03899	0.6
136.04785	0.9
136.07593	3.1
136.08548	0.3
137.05997	8.9
140.95267	0.5
142.03503	0.4
146.05968	2.8
146.10564	0.2
147.04425	6.7
147.08069	0.3
147.11653	0.2
149.02295	0.3
149.04736	4.6
158.96356	0.8
163.06291	0.4
164.04230	2.5
164.07077	100.0
165.05511	1.0
165.07472	2.1
165.08835	0.3
165.12776	0.3
166.04301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.65031	0.7
51.02370	1.5
53.03714	0.8
53.03952	14.3
53.50460	0.8
55.01857	0.8
55.05514	9.4
57.07056	1.7
65.03925	1.4
67.05505	22.0
68.21832	0.7
69.07069	10.2
69.23307	6.5
69.23723	1.8
71.69239	0.7
76.65333	0.8
77.03923	4.3
79.05497	55.0
80.05798	0.8
81.03419	2.3
81.06593	1.8
81.07059	33.0
82.07359	1.1
83.08620	4.8
85.02953	1.0
89.03948	0.7
91.05482	14.1
92.02612	4.5
93.07048	53.3
94.07387	1.0
95.04974	13.9
95.08613	32.4
96.08921	0.8
97.10181	1.5
99.06366	1.2
103.05462	2.2
105.03423	6.7
105.04514	5.7
105.07018	4.2
106.06543	1.4
107.04969	6.3
107.08599	48.7
109.10163	2.4
113.96374	0.9
116.84265	0.8
117.05753	1.7
117.07024	2.2
119.04951	2.3
119.06110	1.1
119.08589	3.6
120.02042	1.6
120.08060	0.9
121.06492	1.9
121.10149	53.4
122.10462	0.9
123.08095	1.0
130.06525	3.4
130.07858	0.8
132.08096	4.4
133.01857	1.3
133.02855	27.1
135.04425	28.8
135.08026	1.2
135.11700	7.4
145.06731	0.8
145.10132	3.0
163.03912	100.0
163.07538	2.5
163.11156	12.9
163.12366	2.1
163.14828	34.9
164.04248	1.7
164.07082	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03951	7.3
53.19074	0.9
55.05273	1.0
55.05517	15.6
57.07074	5.3
65.03924	2.4
67.05510	4.7
69.03429	3.0
69.07075	33.4
77.03908	1.2
79.05502	26.0
80.04947	0.9
81.07063	13.2
83.08627	13.6
89.03926	5.1
91.05486	21.2
92.02622	1.2
92.43777	0.8
93.07052	42.0
95.04978	6.1
95.08607	11.2
98.06044	1.1
99.06387	3.3
103.05474	20.6
105.03384	1.9
105.04539	3.0
105.07040	24.6
105.92493	0.9
107.04977	11.0
107.08601	100.0
108.08186	1.2
108.09384	3.3
109.06525	3.3
109.10152	4.1
115.05478	2.0
117.03396	2.6
117.05756	1.1
117.06956	4.6
118.06516	1.0
119.04940	2.6
119.06086	2.1
119.08595	10.3
120.08118	0.9
121.02843	1.1
121.06543	5.8
121.10152	94.0
122.10514	1.5
123.08093	2.8
130.06537	3.0
130.07828	1.7
131.04938	20.8
132.08098	2.6
133.02840	6.6
133.07611	2.7
133.10109	1.3
134.10939	1.2
135.04427	13.5
135.08064	5.8
135.11697	23.2
136.07567	2.7
145.02893	1.4
145.06544	2.6
145.10130	8.1
147.09138	1.0
148.08868	2.4
163.03923	50.6
163.07547	13.3
163.11195	28.4
163.12318	1.5
163.14844	37.2
164.04385	1.5
164.07071	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	163.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.5
52.86345	0.7
53.03949	14.6
54.41526	0.8
55.01871	1.4
55.05513	8.8
57.07064	1.4
60.13671	0.7
61.02922	3.2
65.03938	1.2
67.05508	23.3
69.03423	1.2
69.07066	10.7
69.21096	4.3
69.21520	4.0
73.02920	2.1
77.03921	3.4
79.05496	57.9
80.05801	1.0
81.03382	1.2
81.07059	36.1
82.07380	0.8
83.08616	6.0
85.02908	3.7
91.03947	2.2
91.05485	13.3
92.02619	4.9
93.07047	56.3
94.07407	0.8
95.04971	12.9
95.08611	33.7
97.02882	1.1
97.06500	0.8
97.10136	1.5
98.20801	1.5
99.06395	1.4
103.05463	2.5
105.03413	6.6
105.04511	6.6
105.07017	5.8
106.06528	1.7
107.04964	5.6
107.08596	46.4
108.08945	1.0
109.06501	1.3
109.10145	3.3
116.45429	0.7
117.05760	2.2
117.07012	2.3
118.06518	0.9
119.04919	1.4
119.08580	2.5
120.02075	1.3
120.08109	1.4
121.06522	2.4
121.10148	57.1
130.06508	3.9
131.04942	1.1
132.08095	4.0
133.02856	26.8
133.10072	0.9
135.03404	1.7
135.04422	29.4
135.08066	1.2
135.11685	7.2
136.07578	1.2
138.03137	1.0
145.10153	2.2
163.03911	100.0
163.11169	13.1
163.12419	2.8
163.14828	38.1
164.04251	2.3
164.07108	4.1
164.09033	0.8
164.15152	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02379	0.8
52.44907	0.7
53.03948	11.0
55.01873	1.2
55.05511	8.7
57.03442	1.0
57.07066	1.6
61.02914	2.9
65.03934	1.4
67.05505	21.3
69.03404	1.7
69.07069	10.9
70.60828	1.7
70.61162	1.1
73.02917	2.3
77.03922	2.6
79.05496	54.2
80.05820	1.6
81.03419	2.4
81.07059	37.9
83.04973	1.4
83.08622	5.9
85.02882	2.3
91.05487	13.9
92.02631	3.1
93.07046	54.3
93.69416	0.9
95.04977	11.2
95.08612	34.2
97.10160	1.8
99.06371	1.3
103.05433	1.6
104.05005	0.7
105.03416	4.1
105.04504	5.5
105.07030	6.9
106.06563	1.8
106.63667	0.7
107.04978	5.3
107.08599	44.3
108.08837	0.9
109.06557	1.0
109.10148	3.0
115.05344	0.8
117.03386	1.0
117.05753	1.0
117.07023	2.3
119.04931	2.1
119.06084	1.2
119.08575	3.4
120.02115	0.9
120.08070	0.8
121.06509	3.0
121.10149	59.9
122.10428	1.3
130.06584	4.1
130.07516	1.1
131.04958	0.8
132.08127	4.7
133.02858	25.1
134.03169	0.8
135.04425	25.5
135.08032	4.0
135.11676	8.6
143.08542	1.3
145.10127	5.4
151.07753	0.7
158.77406	0.7
163.03909	100.0
163.07553	1.9
163.11169	14.3
163.12384	2.1
163.14833	40.7
164.04257	2.8
164.07080	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	163.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.4
53.03945	8.9
55.01863	6.5
55.05512	16.7
57.07079	39.6
59.15315	1.4
65.03907	1.4
67.05496	2.4
68.04996	1.5
69.03419	5.7
69.07059	3.9
69.76406	1.9
69.76817	6.0
73.66638	1.2
74.26261	1.4
77.03915	1.7
79.05498	20.3
81.07037	8.8
83.02821	1.2
83.04988	1.7
83.08624	3.6
85.02899	1.8
89.03912	3.7
89.06038	21.9
91.05495	21.3
92.02604	3.4
93.07055	22.3
95.04990	11.0
95.08582	4.6
98.21503	1.9
99.06393	4.4
101.09638	2.9
103.05467	19.5
105.03411	4.1
105.04517	4.6
105.07028	13.5
106.06573	3.0
107.04967	26.2
107.07066	1.9
107.08597	31.8
108.05733	4.5
109.06531	3.0
115.05422	4.1
115.67191	1.4
117.03387	3.5
117.05761	2.5
117.07005	13.3
119.04949	6.2
119.08576	16.3
119.19370	1.3
121.06501	7.5
121.10142	19.5
123.08064	1.9
130.06531	4.6
130.07805	7.6
131.04939	21.7
132.08066	5.1
133.02866	15.2
133.06485	1.6
135.04436	25.5
135.08072	9.4
135.11737	9.2
136.07584	16.7
145.06506	4.2
145.09084	1.6
145.10149	23.7
148.08813	2.3
163.03917	100.0
163.07513	15.4
163.11174	48.0
163.14809	6.3
164.04225	3.3
164.07051	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02378	0.9
53.03953	5.8
55.01627	1.3
55.01873	14.1
55.05517	5.9
56.96554	0.8
57.03421	1.2
65.03934	1.8
67.05505	16.2
69.03436	4.0
69.05364	0.8
69.07066	4.4
70.97355	1.4
70.97730	1.5
77.03925	1.8
79.05497	48.5
80.05823	1.0
81.03406	2.2
81.07060	15.5
83.04981	4.8
89.03925	4.7
91.04906	1.6
91.05482	27.3
92.02608	1.4
92.05800	0.8
93.07046	57.6
94.07343	0.9
95.04971	9.1
95.08617	3.7
97.06525	5.5
98.06076	0.8
99.05818	0.8
99.06389	3.8
103.05470	19.7
105.03396	1.6
105.04512	2.4
105.07038	14.6
106.06540	1.0
107.04958	17.7
107.08599	35.8
108.05313	0.9
109.06536	3.8
115.05424	1.6
115.40710	0.7
117.03374	3.1
117.05752	0.8
117.07007	13.4
119.04939	2.0
119.06105	1.1
119.08586	25.2
119.97934	0.8
121.06506	15.8
121.10150	32.2
122.10533	0.8
123.13686	0.8
127.91795	0.7
129.07004	1.1
130.06526	2.4
130.07797	4.1
131.04938	20.7
132.08069	1.7
133.02867	8.3
133.06517	2.6
133.10115	2.5
134.07330	1.3
135.04431	15.8
135.08066	9.1
135.11696	19.5
136.07584	1.6
143.08551	1.3
145.02843	3.4
145.06558	1.7
145.10129	25.7
145.11270	1.3
148.08862	1.6
163.03909	44.8
163.07547	11.3
163.11182	100.0
163.14841	3.5
164.07074	3.0
164.11548	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.01608	1.3
51.02367	1.9
53.03947	11.3
55.01878	8.9
55.02863	0.9
55.05270	1.2
55.05514	17.2
56.15988	1.0
57.03436	2.6
57.07071	2.1
63.02335	1.3
65.03934	3.9
66.25459	0.9
67.05505	7.8
68.05022	1.2
68.99779	3.0
69.03419	7.1
69.05360	2.1
69.07072	15.9
71.04989	1.3
71.51057	1.8
77.03918	3.5
79.05494	48.3
80.05026	1.3
80.06248	1.3
80.34087	0.9
81.03413	3.5
81.07059	22.7
83.04991	8.9
83.08616	3.0
89.03918	10.2
91.04904	1.4
91.05480	38.9
92.02620	3.4
93.03399	3.4
93.07044	55.6
94.06558	1.1
95.04973	17.3
95.08618	8.2
96.05245	1.0
98.06062	2.2
99.06372	8.2
103.05470	86.3
104.05765	2.1
105.03377	4.2
105.04532	6.8
105.07031	31.8
106.06581	2.1
107.04958	72.6
107.08596	69.7
108.05748	41.5
108.08181	1.3
109.05895	1.6
109.06528	14.2
109.78830	1.0
115.05455	9.3
117.03389	11.7
117.05788	1.5
117.07006	21.5
118.06541	1.2
119.04945	5.0
119.08587	24.7
120.05718	2.9
120.09361	1.3
121.02856	1.5
121.06508	23.1
121.10144	43.4
122.06026	1.4
122.07293	1.9
123.08040	1.3
127.07594	1.6
129.07013	2.1
130.06538	4.3
130.07779	9.3
131.04932	93.5
132.05246	1.7
132.08119	4.7
133.02856	13.1
133.06516	5.8
133.10129	1.9
135.04427	35.7
135.08060	22.2
135.09050	0.8
135.11694	16.7
136.07571	5.4
143.08580	3.4
145.02853	5.9
145.03938	2.1
145.06465	11.1
145.10130	33.2
147.08058	1.2
148.05110	1.3
148.08806	7.3
163.03912	100.0
163.07538	46.6
163.11180	93.7
163.12300	4.8
163.14822	14.8
164.04228	3.5
164.07014	10.5
164.11615	1.9
165.32155	1.0
168.26830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02381	1.1
53.03952	9.9
55.01875	16.2
55.05518	7.7
57.03426	1.2
62.08282	1.0
67.05510	10.8
69.03438	8.1
69.07053	3.8
70.77011	1.2
70.77320	2.4
71.05003	1.2
77.03928	3.8
79.05498	35.0
81.03414	1.7
81.05386	1.2
81.07063	31.6
81.64963	1.2
81.76339	1.3
83.04978	1.7
88.25999	1.2
89.03925	4.0
91.04984	1.8
91.05496	28.2
92.02641	2.4
93.07053	50.5
95.04979	13.7
95.08624	2.8
97.64928	1.1
98.06052	1.6
98.20903	1.3
99.06389	5.6
103.05476	32.2
105.03390	3.8
105.04519	4.8
105.07035	33.4
106.06611	1.4
106.07329	1.4
107.04964	14.4
107.08603	45.4
109.06511	10.6
115.05448	6.9
117.03365	1.7
117.05766	1.4
117.07014	28.3
119.04946	1.8
119.06806	1.3
119.08586	23.3
121.06519	12.4
121.10148	54.0
123.08064	1.4
127.07576	6.8
128.06201	1.4
129.07018	2.6
130.06496	2.4
130.07802	15.8
131.04941	31.2
132.08055	2.6
133.02858	17.6
133.06480	2.9
133.10133	4.0
135.04428	24.6
135.05458	2.5
135.08070	13.0
135.11697	16.7
136.07574	3.4
143.08562	3.9
145.02843	2.4
145.06474	10.2
145.10133	83.6
146.10519	2.2
147.08041	1.7
148.05193	1.5
148.08842	5.0
163.03922	84.9
163.07549	36.1
163.11188	100.0
163.14897	4.1
164.04341	2.3
164.07040	9.8
164.11604	2.2
178.76389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02367	0.5
51.79155	0.4
53.03754	0.4
53.03947	4.2
55.01871	2.3
55.05513	2.9
56.63328	0.3
56.78441	0.4
57.03413	0.6
57.07085	0.5
58.58197	0.4
58.89321	0.3
59.93289	0.3
65.03941	1.0
67.05496	1.8
68.05025	0.5
69.03436	5.1
69.05371	0.5
69.07070	4.9
70.06576	0.4
71.04992	0.8
71.50932	0.4
71.51382	0.7
77.03955	1.2
78.95286	0.4
79.05499	12.3
80.05021	0.4
81.03429	0.9
81.05358	0.6
81.07065	4.8
81.78209	0.4
83.04996	2.0
83.08614	0.8
85.02901	0.8
86.86320	0.4
89.03928	2.9
91.05485	10.3
92.02605	0.7
93.07047	13.9
94.06627	0.4
95.04973	4.5
95.08612	2.5
98.06029	0.7
99.06393	3.5
103.05476	20.0
105.03411	0.9
105.04525	1.4
105.07035	10.7
106.06571	0.8
107.04961	12.0
107.08601	20.5
108.08130	0.5
108.08876	0.4
109.06519	1.3
115.05458	1.9
117.03371	1.6
117.05730	0.8
117.07007	7.7
119.04925	1.2
119.06940	0.3
119.08575	5.6
120.08147	0.5
120.69864	0.4
121.06518	9.2
121.10149	14.2
123.08078	0.5
129.06967	0.4
130.06577	2.2
130.07765	3.3
131.04933	23.0
132.05275	0.7
132.08083	1.8
133.02856	5.2
133.06497	3.1
135.04437	10.0
135.08067	7.0
135.11693	6.7
136.07571	2.5
138.40514	0.5
143.08562	1.1
145.02866	1.7
145.03940	0.5
145.06468	3.3
145.10126	16.8
147.08054	2.9
148.08847	11.7
163.03917	32.4
163.07549	11.5
163.11183	100.0
163.14813	4.1
164.07027	3.2
164.11601	2.3
181.60783	0.4
184.01494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02382	0.7
52.68977	0.3
53.03951	3.0
55.01871	0.9
55.05509	1.8
57.03447	0.5
57.07066	0.4
65.03962	0.5
65.05328	0.3
67.05502	1.2
69.03425	1.3
69.07068	3.1
69.17351	3.4
77.03941	1.2
77.22624	0.4
79.05065	0.7
79.05491	7.1
79.05917	0.6
80.05014	0.5
81.03434	0.4
81.07053	4.3
83.08625	1.1
84.04542	0.3
89.03912	1.8
91.05488	5.7
92.02626	0.5
93.07041	7.5
95.04985	2.9
95.08608	1.8
99.06386	1.3
103.05467	83.5
104.05807	2.5
105.03411	0.7
105.04513	1.3
105.07034	4.9
106.06590	0.4
107.04955	4.6
107.08596	13.6
109.06434	0.5
109.82730	0.4
115.05445	1.1
117.03371	1.2
117.06969	2.3
119.04937	0.8
119.06025	0.7
119.08584	2.4
120.05712	0.4
121.06491	2.5
121.10148	8.3
122.71506	0.4
123.08072	0.6
130.06548	1.0
130.07816	1.0
131.04929	100.0
132.05220	2.5
132.08070	1.0
133.02852	2.8
133.06473	0.4
135.04431	6.1
135.08047	4.1
135.11681	3.3
136.07532	0.7
145.02818	0.9
145.06549	1.2
145.10112	4.8
148.05191	0.4
148.08818	1.2
163.03906	18.7
163.07541	46.5
163.11166	13.5
163.12303	0.8
163.14790	3.7
164.07071	1.6
166.32796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Caudoxirene
Peak:m/z	Relative Intensity
51.02374	1.3
53.03716	0.7
53.03949	11.1
55.01870	2.6
55.05497	1.5
56.96556	0.6
57.03440	0.5
65.03948	1.1
67.05510	10.3
69.07063	2.2
71.51336	0.5
71.51776	0.8
77.03912	2.8
79.05497	29.6
80.05040	0.8
80.05839	0.6
81.03413	6.3
81.07060	7.3
83.04980	2.1
84.08111	0.6
85.35811	0.5
89.03925	0.7
91.05482	14.2
92.02618	4.2
93.07047	17.2
95.04965	12.1
95.08600	2.8
96.05313	0.5
97.06516	2.8
100.02473	0.6
103.05458	1.4
105.03416	5.8
105.04514	5.7
105.07041	5.6
106.06542	1.5
107.04960	7.5
107.08593	13.2
109.06503	0.9
112.07249	0.5
117.05730	1.1
117.07015	6.9
118.06563	1.2
119.04961	1.5
119.07799	0.9
119.08586	9.7
120.02084	1.0
120.08105	0.6
121.06497	4.3
121.10152	6.5
128.06235	0.6
130.06532	3.2
130.07773	1.8
131.04942	1.0
132.08101	2.9
133.02856	26.2
133.10176	0.8
135.04419	26.9
135.08043	2.2
135.11687	10.7
136.07545	1.0
138.03104	0.8
145.10129	11.8
163.03909	100.0
163.07558	1.5
163.11174	33.8
163.12314	2.6
163.14787	1.5
164.04239	2.3
164.07071	2.3
164.11589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0756
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01598	0.6
51.02384	0.6
52.40182	0.4
53.03951	4.8
55.01882	2.2
55.05496	2.3
57.03439	0.9
63.02350	0.4
65.03939	1.3
65.86246	0.5
67.05505	3.3
68.05032	1.0
68.99814	0.8
69.03433	2.3
69.05373	0.9
69.07065	1.8
69.70850	2.6
71.04982	0.6
76.91438	0.5
77.03923	2.2
78.95294	0.6
79.05498	15.9
80.05029	0.7
81.03417	1.2
81.05337	0.7
81.07059	10.9
83.04990	0.7
83.70462	0.5
84.08139	0.7
85.02890	0.6
89.03926	6.0
90.52684	0.5
91.05485	14.0
92.02628	1.4
92.04952	0.4
92.06261	0.5
93.07046	15.7
93.07639	0.8
95.04984	6.5
95.08598	1.9
98.06057	1.1
99.06398	5.2
102.04652	0.6
103.05471	87.5
104.04976	0.7
104.05775	1.3
105.03398	2.1
105.04520	2.9
105.05817	0.6
105.07033	8.9
106.06570	1.6
107.04962	17.2
107.08598	15.0
108.08160	0.7
109.06519	3.3
115.05463	6.4
117.03384	4.0
117.05750	0.9
117.07017	21.4
118.06562	0.8
118.07383	0.8
119.04961	2.3
119.06039	0.7
119.08591	6.8
120.05687	0.9
120.08111	1.2
121.02892	0.9
121.06505	4.3
121.10143	14.1
127.07542	2.2
130.06529	1.9
130.07765	2.9
131.04932	100.0
132.05281	2.0
132.08093	2.7
133.02867	8.5
133.06487	0.9
135.04425	18.2
135.08064	9.1
135.11679	3.5
136.07602	3.0
136.11194	0.5
143.08589	1.2
145.02859	2.8
145.03951	0.8
145.06482	22.7
145.10129	15.9
146.05925	0.5
146.06984	0.6
148.05154	1.3
148.08827	1.3
155.06140	0.7
163.03915	53.5
163.07544	57.8
163.11169	26.3
163.12331	2.9
163.14714	3.1
164.04292	1.3
164.06973	7.0
164.09221	0.7
164.10603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0762
Annotation	D-2-Aminoadipic acid
Peak:m/z	Relative Intensity
51.88301	0.4
52.09555	0.4
53.03946	0.7
54.03470	1.0
56.05037	3.9
56.96562	1.2
57.03448	0.4
59.04989	0.4
68.05033	26.6
69.03427	1.1
69.94592	1.8
70.06600	4.8
71.04990	1.8
74.02444	0.7
74.06069	0.6
80.05024	17.5
81.03420	0.5
84.04539	0.4
85.02927	0.4
86.06043	0.9
88.04002	0.9
88.14775	0.3
98.06061	100.0
98.97623	0.4
99.06386	1.4
101.00870	0.5
102.00999	1.6
102.96870	1.7
103.00662	0.9
106.95883	0.3
116.07096	15.4
119.01914	1.2
120.02009	3.9
120.06589	0.6
120.97921	0.6
121.01674	1.3
125.16033	0.4
126.05528	5.1
133.07613	0.7
134.06059	0.7
135.04387	0.4
144.06569	25.9
145.07677	0.5
157.03539	0.4
162.05635	2.6
162.07642	26.2
162.09109	2.2
163.03886	1.0
163.07726	0.4
163.08719	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	163.0391
Annotation	7-Hydroxychromone
Peak:m/z	Relative Intensity
51.02370	1.3
53.03714	0.8
53.03952	11.3
55.01863	1.0
58.36587	0.3
60.26146	0.5
60.54511	0.4
61.72255	0.4
64.03168	0.4
65.15205	0.4
66.36349	0.5
69.07046	0.5
70.40852	1.4
77.03938	4.8
79.05071	0.6
79.05495	8.6
80.05857	0.4
81.03413	1.1
81.07041	0.6
89.03927	0.9
91.05486	3.2
92.02630	4.3
92.34605	0.4
93.07047	2.1
95.04974	10.2
97.83342	0.4
98.06024	0.6
99.06363	0.9
103.05476	2.6
105.03409	6.5
105.04507	5.0
105.07031	1.5
107.04958	4.8
107.08614	2.4
108.05746	1.6
109.06512	0.5
115.05444	0.6
117.03356	0.7
117.05760	0.5
117.07021	2.0
119.04945	0.6
119.08605	0.6
120.02093	0.9
121.06487	1.1
121.10150	1.8
121.11688	0.4
124.01278	0.5
130.06528	0.9
130.07851	0.6
131.04922	2.8
132.08105	0.8
133.02861	26.4
135.04425	28.9
135.08015	1.0
135.11661	0.6
136.04753	0.9
136.07564	0.8
145.02850	0.5
145.06506	1.4
145.10101	1.3
163.03912	100.0
163.07550	3.6
163.11125	3.7
163.12257	0.5
164.04247	2.7
164.07065	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.1
53.03932	2.7
55.01867	2.2
55.05518	11.2
57.31848	0.9
57.72215	0.9
67.05497	3.7
68.05042	6.1
69.03444	1.2
69.07074	14.1
70.06593	1.8
70.95688	2.3
70.96035	1.1
73.02931	1.0
74.06038	1.4
79.05499	8.3
80.05011	3.2
81.07059	6.1
91.04907	1.3
91.05489	23.2
93.07047	6.7
95.04958	1.5
95.08612	1.9
98.06065	27.4
103.05457	5.1
105.03409	1.6
105.07040	85.9
106.07337	1.8
107.08578	5.6
108.95874	1.1
115.05457	10.7
116.07109	4.5
117.07027	9.5
118.04160	3.4
119.08591	100.0
121.10155	3.3
126.05535	2.3
128.06267	3.0
129.91039	1.0
130.07747	1.4
131.04965	2.0
131.08568	10.3
132.09372	1.4
133.06543	8.2
133.10141	71.3
134.05995	1.5
134.10468	1.9
143.03714	1.0
143.04955	3.6
143.08543	4.3
144.06549	6.5
145.10112	3.1
146.03651	2.2
146.07265	4.4
146.10913	5.3
159.11688	5.1
161.06006	15.3
161.07176	2.9
161.09639	23.6
161.13274	86.9
162.05493	3.7
162.07635	5.6
162.09016	1.8
162.13570	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0765
Annotation	D-2-Aminoadipic acid
Peak:m/z	Relative Intensity
54.03474	0.6
54.37147	0.4
56.05043	3.8
57.80681	0.4
60.08166	0.6
68.05037	25.0
69.03437	0.6
70.06596	5.2
70.15334	1.7
70.15691	0.5
71.04997	1.6
74.02441	0.6
80.05023	15.6
86.06081	1.0
92.67779	0.4
95.71478	0.4
98.06068	100.0
98.21469	0.4
99.06411	0.9
100.04006	0.5
116.07108	14.1
120.02031	0.7
126.05521	4.6
144.05405	0.8
144.06577	25.1
162.07637	25.3
162.11273	0.8
163.08003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02378	0.5
53.03950	3.2
55.01876	5.3
55.05517	1.3
56.05039	1.0
58.99611	0.6
66.04720	0.9
67.05497	0.7
68.05026	6.4
68.99789	1.3
69.03425	0.9
69.07056	0.5
70.06595	1.7
71.50935	0.8
72.08165	1.8
73.02937	0.7
73.08493	0.9
74.06084	1.3
77.03925	0.9
78.93115	0.9
79.05500	18.2
79.59972	0.5
80.05017	4.1
81.03422	0.7
81.07076	0.9
83.01323	0.5
84.04498	0.7
89.03922	0.8
90.04695	3.1
91.05494	16.7
92.02641	1.1
93.07082	1.0
95.04976	2.8
97.02895	1.0
98.06062	24.9
101.95055	0.6
102.04660	0.6
102.75800	0.5
103.05476	21.7
105.03419	3.9
105.04521	2.2
105.07036	100.0
106.07361	1.8
107.04993	1.5
112.64085	0.6
113.02330	0.7
115.05463	47.5
115.09569	0.5
116.01703	0.7
116.06332	1.0
116.07054	4.2
117.07026	6.5
118.04169	18.0
118.06487	0.6
118.07335	0.6
119.04971	0.6
119.06921	0.6
119.08589	8.1
119.95744	0.5
120.08138	1.3
121.06500	0.6
126.05507	1.6
128.06245	1.4
131.04936	5.6
131.08598	1.4
132.05688	2.0
133.06503	47.2
133.10126	7.3
134.06018	0.6
134.06889	0.7
134.09639	0.6
143.04933	9.4
143.06075	4.6
143.08595	1.8
144.05664	0.7
144.06598	5.3
146.03639	2.7
146.07277	2.4
154.23904	0.5
161.05989	64.2
161.07028	2.9
161.09601	13.0
161.13251	5.4
162.05383	2.8
162.06654	0.7
162.07661	6.3
162.09174	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.71751	0.7
51.96775	0.7
53.03937	2.9
53.29683	0.8
55.01862	2.4
55.05307	0.8
55.05515	7.9
56.05034	0.9
57.07075	0.9
66.04727	0.9
67.05486	3.0
68.05028	4.0
69.07069	11.6
70.06571	0.9
71.40276	1.6
72.08141	1.4
79.05061	1.3
79.05495	13.1
80.05008	2.8
81.07068	5.1
83.08608	1.2
90.04714	1.8
91.05483	20.1
93.07036	3.8
95.04963	1.6
97.02907	0.8
98.06062	20.5
103.05481	10.4
105.03407	1.7
105.07037	100.0
106.07355	2.2
107.08602	2.4
115.05460	19.5
116.07063	2.4
117.07023	7.7
118.04182	9.3
118.07793	1.5
119.04899	1.0
119.08590	80.4
120.08103	0.9
120.08839	0.8
121.10150	3.0
122.97178	0.8
128.06221	3.0
130.07765	1.3
131.04939	4.0
131.08591	9.3
132.09352	0.9
133.06514	20.7
133.10138	58.1
134.05965	0.9
134.06860	0.9
134.10454	1.0
136.50555	0.8
143.04924	2.6
143.06015	2.4
143.08559	3.2
144.06584	4.6
145.10161	1.4
146.03635	2.1
146.07277	3.6
146.10886	3.3
159.11676	5.7
161.05989	21.8
161.07237	1.8
161.09628	20.6
161.13266	76.4
162.05493	2.5
162.07660	4.5
162.08873	1.2
162.13629	1.9
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
51.02383	0.7
53.03952	2.9
55.01877	4.3
55.05516	1.7
56.05031	0.8
57.98668	0.5
66.04730	1.1
67.05511	1.2
68.05033	3.8
69.03430	1.3
69.07065	1.5
70.06599	1.4
70.86095	1.2
71.62690	0.5
72.08142	0.8
73.08486	0.6
74.06091	0.8
77.03926	1.0
78.93146	0.7
79.05495	15.7
80.05021	2.6
81.03399	0.7
81.07049	1.9
89.03917	1.6
90.04694	3.3
91.04976	0.9
91.05488	10.6
93.07052	1.7
94.41956	0.4
95.04996	3.5
98.06061	16.1
98.98463	0.6
102.04739	0.8
102.05528	0.7
103.05465	17.7
105.03413	1.8
105.04517	1.9
105.07033	77.0
106.07391	1.5
107.04941	1.0
113.02364	0.9
115.05453	24.8
116.06299	0.9
116.07091	3.3
117.07016	5.6
118.04163	26.9
118.06511	0.7
119.08580	14.4
120.08108	0.6
121.06509	1.8
126.05511	0.8
128.06201	2.3
129.07039	0.9
131.04935	9.0
131.08556	2.7
132.05721	1.6
133.06496	30.4
133.10141	12.5
134.05963	0.7
134.06860	0.7
143.04904	3.0
143.06047	3.0
143.08565	3.0
144.06566	4.9
145.06506	0.9
146.03641	11.1
146.07295	3.6
161.05983	100.0
161.09607	25.5
161.13271	9.3
162.05408	1.5
162.06450	1.3
162.07628	4.8
162.08984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70839	0.2
70.48473	0.6
75.98599	0.2
82.99841	5.9
83.99903	0.3
98.97591	0.4
101.00883	52.2
102.00947	2.6
102.96877	0.3
103.00633	0.3
111.00446	0.4
119.01922	100.0
120.02003	3.5
121.01648	0.2
124.02466	0.3
125.02610	0.2
137.02959	15.3
138.03075	0.5
142.03462	0.9
143.01912	0.5
143.03654	0.9
145.48875	0.2
161.02972	5.4
161.04330	0.4
179.04005	4.1
179.05560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03951	3.2
55.01875	5.5
55.05504	1.7
65.03936	0.6
66.04711	1.5
67.05490	0.5
68.05029	5.8
69.03438	1.2
69.07075	0.9
69.14909	5.3
69.32693	0.6
70.06604	1.3
71.04966	0.5
72.08150	1.7
73.08485	1.7
77.03933	1.3
78.93130	0.8
79.05496	21.5
80.05020	3.2
81.03410	0.7
89.03911	1.1
90.04712	4.2
91.05485	7.6
92.02615	0.7
93.07036	1.1
95.04973	3.1
98.06062	23.8
102.04713	0.8
103.05473	24.0
105.03400	1.5
105.04526	1.4
105.07036	100.0
106.06668	0.8
106.07372	2.2
107.04966	1.6
111.25490	0.4
113.02392	0.8
113.78427	0.5
115.05458	31.0
116.05032	0.9
116.05754	0.5
116.07079	3.7
117.07040	3.2
118.04167	22.0
118.07761	0.6
119.06867	0.8
119.08589	7.9
120.04530	0.6
120.08179	0.9
120.35525	0.5
121.06544	1.0
126.05499	1.3
127.66442	0.4
128.06281	0.7
131.04942	5.5
131.08611	1.0
132.05699	1.4
133.06502	43.4
133.10123	10.9
134.05998	2.3
143.04942	1.8
143.06050	5.1
143.08620	1.4
144.04424	0.8
144.05505	0.8
144.06558	5.6
146.03630	1.4
146.07274	2.1
147.04420	0.5
159.08134	0.6
161.05980	17.2
161.07144	13.3
161.09598	11.8
161.10925	0.9
161.13275	5.0
162.05513	2.1
162.07635	6.1
162.09171	1.6
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
53.03942	0.9
55.05544	0.7
65.03973	0.9
67.05508	6.6
68.01643	0.7
69.67987	0.6
70.06589	1.2
71.50908	0.7
76.92984	0.8
76.93365	3.2
79.05498	10.1
81.03399	0.5
81.07063	7.3
91.05485	25.7
91.57262	0.5
93.07050	5.0
103.05495	1.6
105.07037	22.3
113.02389	1.8
114.09187	2.9
115.05470	5.1
116.06242	1.9
117.07023	64.4
117.96016	2.3
118.07861	1.1
119.08598	3.5
129.07028	7.4
130.07788	7.4
131.08575	87.2
132.08940	1.6
135.97049	1.2
141.01859	4.4
141.64136	0.6
142.07718	1.4
143.08530	0.8
144.09366	6.2
157.10138	4.7
159.11696	100.0
160.07573	0.6
160.09656	1.0
160.12050	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.01883	0.6
65.03951	0.7
67.05508	4.3
70.06596	2.1
70.66125	1.3
70.66455	0.7
72.04509	1.0
76.92947	1.0
76.93382	7.4
77.03970	0.5
79.05498	3.6
81.07056	3.4
85.02909	0.7
85.94245	0.6
91.05486	17.5
92.55189	0.6
93.07063	1.8
94.94407	2.8
100.54688	0.5
103.05453	2.0
103.09546	0.5
103.36505	0.6
105.07047	15.3
113.02402	3.9
113.07176	1.1
113.07919	1.0
114.05522	1.1
114.06643	0.7
114.09187	2.0
115.05463	5.9
116.06253	2.2
117.07027	49.9
117.95994	8.1
118.06551	1.1
119.08606	5.3
128.06319	1.4
129.07018	10.3
130.07809	14.1
131.04921	1.5
131.08578	88.7
132.08026	0.7
132.08911	1.6
135.97049	4.0
141.01833	9.8
142.07741	1.1
143.08559	1.1
144.05743	0.9
144.09364	9.6
157.10165	2.6
158.98660	0.7
159.02939	0.7
159.08081	3.3
159.11703	100.0
160.07547	1.0
160.09717	1.2
160.12079	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.41193	0.5
59.02417	0.5
62.47764	0.5
65.43673	0.6
67.05507	4.0
69.37141	3.9
70.06612	1.7
76.93365	6.3
79.05505	4.1
81.07058	3.7
91.05486	16.2
91.93256	0.6
93.07059	1.7
94.94440	2.2
96.08121	0.8
100.07644	0.6
103.05466	1.4
105.07040	17.0
113.02380	2.3
113.07165	0.6
113.07913	0.7
114.05549	0.7
114.09169	3.0
115.05445	4.5
116.06249	2.4
117.07024	50.7
117.95971	6.5
118.06555	0.8
119.08596	4.6
128.06197	0.5
129.07007	11.2
130.07790	15.0
131.08574	84.7
132.08051	0.6
132.08931	1.9
135.97012	2.8
141.01833	8.0
142.07716	0.9
142.08723	0.7
143.08594	0.7
144.09346	10.2
157.10123	3.8
159.08163	3.9
159.11696	100.0
160.07544	1.2
160.12036	2.2
176.79439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03933	1.2
54.14735	0.6
55.05504	1.7
56.96557	1.7
57.03416	0.8
67.05511	3.3
68.05037	0.6
69.07063	0.8
70.06586	1.7
71.04992	1.6
71.50962	0.9
72.08161	5.5
76.75901	0.6
76.93370	5.3
79.05452	0.7
79.53329	0.6
81.03413	1.0
81.07038	1.8
82.06561	1.0
85.02897	2.1
85.16425	0.7
91.05479	9.3
94.94418	1.1
95.04984	0.7
95.08604	1.8
98.97575	4.1
98.98138	0.6
99.04443	3.1
99.08108	0.8
103.05467	2.9
105.07033	18.9
113.02354	2.9
113.05971	0.9
113.07887	0.8
114.09151	2.1
115.05467	3.7
116.06248	2.5
116.98627	2.1
117.05775	1.4
117.07026	19.0
117.07861	0.9
117.95985	5.7
118.06532	3.1
118.96721	1.6
119.08583	12.0
128.06183	1.4
129.07019	17.4
130.06499	2.0
130.07771	6.4
131.04956	1.8
131.06877	3.0
131.08569	38.0
132.04433	1.4
132.08098	3.1
132.08992	1.1
135.97028	0.9
141.01854	5.9
141.06952	1.6
142.07779	2.1
143.08575	1.5
144.05688	3.1
144.09352	32.0
153.96754	0.9
157.10152	4.7
159.04463	1.0
159.06573	1.4
159.08067	6.5
159.11697	100.0
160.07603	3.1
160.09688	0.9
160.12030	4.0
169.07602	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.7
56.96571	41.8
57.03434	7.7
57.04548	11.9
63.60073	6.6
68.05033	8.7
69.03436	11.5
70.06602	47.6
71.06750	10.0
71.55990	5.9
81.03429	11.7
81.04529	15.9
82.05321	13.3
82.06570	22.2
85.02914	7.8
86.06071	12.2
87.04471	27.4
91.05474	7.7
95.06096	31.8
96.08147	21.3
98.97585	100.0
99.04476	8.3
100.07619	21.3
101.00880	20.5
101.06011	7.9
103.00671	6.6
109.02909	6.8
111.05573	40.8
113.07119	9.3
114.05537	19.8
114.09171	54.2
116.98628	40.8
117.02097	6.7
119.01917	19.0
123.05559	38.4
125.07166	6.7
127.00267	14.2
131.01868	7.1
134.99681	9.6
135.03221	14.1
141.06625	25.3
142.08682	14.1
144.84192	5.4
160.09682	51.8
160.10866	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.8
61.79897	0.7
67.05505	5.9
69.25888	4.3
69.26295	2.0
70.06580	1.2
76.93379	5.4
79.05497	6.4
81.07063	6.2
91.05489	22.1
93.07034	3.4
94.94478	1.0
95.04992	0.8
103.05457	1.7
105.07036	16.2
113.02374	3.1
114.09164	2.0
115.05453	5.7
116.06267	3.3
117.07029	59.7
117.95987	7.1
118.07809	2.2
119.08563	4.3
119.33549	0.7
129.07010	11.2
130.07787	10.9
130.08656	1.1
131.08577	87.1
132.08920	2.2
135.97032	2.1
141.01833	9.0
142.07739	0.7
143.08519	0.8
144.05692	0.8
144.09349	8.7
157.10168	4.0
159.08083	1.8
159.11703	100.0
160.09787	0.8
160.12047	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	158.0814
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
53.03950	0.6
55.01633	0.5
55.01875	5.7
56.96566	6.9
57.03431	1.8
57.93558	1.7
61.62975	0.4
68.05028	1.4
69.07076	3.7
70.06596	6.9
70.88491	1.1
71.95268	1.6
72.08183	0.6
75.94597	0.6
77.06713	0.4
79.05482	0.5
80.05019	0.7
81.03427	2.2
81.05801	1.7
84.04510	6.9
84.08158	0.9
84.96037	0.4
85.02910	0.5
94.06577	23.7
95.06841	0.5
95.07369	6.2
96.04498	25.6
96.08141	8.5
97.96796	0.9
98.06067	18.2
98.97594	44.5
101.00748	0.5
102.05559	1.0
105.04586	0.5
109.02839	0.7
110.01308	0.6
112.07611	4.1
112.11270	0.5
112.55749	4.1
113.05936	0.5
114.05539	22.3
115.05873	0.8
116.07037	0.4
116.97312	4.4
116.98630	15.2
117.02090	1.2
122.06037	6.9
126.55510	0.8
130.06551	0.4
134.95824	0.9
134.99677	3.4
138.05540	2.3
140.00258	0.4
140.07079	100.0
141.07404	1.9
152.96901	0.7
158.08147	30.5
158.09456	1.1
178.07999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93833	3.0
56.96564	0.4
62.81524	0.3
69.96178	31.1
71.00693	0.5
71.50556	0.8
71.94100	11.5
72.94875	0.6
79.51166	0.6
80.01225	1.4
80.51057	1.0
81.01089	0.7
82.01463	0.3
87.97193	0.6
88.51671	1.1
89.01737	2.0
89.51590	1.7
89.95134	0.4
100.02496	0.8
100.52563	0.7
101.00881	0.7
102.33347	0.4
108.48212	0.7
108.98106	0.4
110.98798	0.9
111.48318	0.5
113.00838	0.5
113.95110	9.7
114.04027	1.1
116.98737	0.6
117.48738	0.7
117.98550	0.7
119.48983	0.6
119.99024	2.6
120.48853	2.7
125.99200	0.4
126.49268	0.8
126.99072	0.8
128.49518	1.7
128.99535	7.7
129.49374	7.1
129.99469	1.2
131.01901	1.3
131.49831	1.2
131.96153	100.0
131.99641	1.3
132.05069	4.1
132.96596	0.5
137.50031	2.7
138.00050	8.5
138.49879	8.9
138.99937	1.3
140.00259	0.6
140.50340	6.2
141.00156	6.2
141.29645	0.3
141.50166	0.8
141.95708	0.5
149.00923	0.8
149.50861	4.8
149.97208	54.7
150.00644	4.7
150.06110	1.3
150.50685	1.0
154.97754	2.6
155.01924	0.4
167.98265	1.6
169.89095	0.4
172.98813	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	158.0813
Annotation	UNII-218WD6K9H0
Peak:m/z	Relative Intensity
53.03941	1.3
55.01878	2.8
55.05503	3.0
55.25071	0.5
56.02193	1.4
56.05018	2.5
56.96568	12.5
57.03436	5.5
57.07061	1.1
57.93560	0.8
58.06607	3.2
59.04996	0.7
60.04539	0.6
61.02907	1.1
67.05486	1.4
68.02641	0.8
68.05030	5.7
68.82472	0.5
69.03432	3.6
69.07064	1.2
70.02938	0.9
70.04079	4.4
70.06595	58.9
70.98123	1.0
71.01337	1.8
71.04996	6.1
71.06922	1.0
71.49662	1.0
72.04505	1.4
72.08157	1.0
73.02914	1.8
74.02431	1.4
75.04484	0.6
80.05016	4.8
81.01044	0.8
81.03420	6.5
81.04527	2.0
82.05309	1.4
82.06578	4.9
83.04954	1.0
83.06102	0.8
84.04517	4.8
84.08145	73.9
84.96030	0.6
85.02911	4.5
85.07662	1.2
85.08464	1.3
86.03696	1.0
86.06064	3.8
86.51864	0.6
87.01031	0.8
87.04462	2.1
87.50806	0.8
88.03974	2.4
89.00777	1.0
89.06008	0.9
94.06561	4.5
95.04989	0.9
95.06097	5.2
96.01547	1.4
96.04494	4.1
96.08107	1.1
97.02883	1.3
97.06514	0.6
97.96791	2.9
97.99179	0.8
98.03592	0.7
98.05437	0.7
98.06053	12.1
98.09703	4.1
98.97590	12.6
99.01952	0.7
99.04457	5.5
99.06372	1.1
100.05225	1.1
100.07591	4.1
101.00828	2.2
102.09187	1.5
103.00601	1.7
103.02326	0.5
105.02126	0.7
105.47682	0.6
109.02849	3.4
110.01247	1.9
110.06036	0.8
110.07162	4.6
110.97559	2.0
111.05571	6.9
112.02111	0.7
112.03971	1.2
112.07594	100.0
112.08717	27.0
112.11218	1.3
112.55760	4.4
113.00846	0.6
113.02386	1.0
113.05941	1.1
113.07146	1.9
113.07962	1.5
114.05537	7.0
115.08682	0.7
115.97835	1.4
116.06351	0.7
116.07101	9.1
116.97234	3.7
116.98615	8.1
117.02046	3.2
119.01162	0.7
119.01895	3.9
119.07282	0.8
120.02029	1.1
121.01682	5.3
122.06007	2.2
122.09645	1.2
123.05549	5.8
126.02554	1.8
126.55482	1.3
127.00239	2.2
128.98608	2.0
130.04964	0.7
130.06523	1.6
130.08653	10.7
131.00140	1.2
131.08499	1.0
132.67503	0.5
132.85812	0.5
133.03470	1.0
134.03583	0.9
134.06018	1.0
134.99648	2.7
135.03142	2.5
135.06767	2.5
137.53320	0.7
139.02675	1.9
140.07072	9.0
140.10699	2.2
140.14296	0.7
141.01820	1.8
141.06560	5.7
144.03325	2.3
146.99643	1.2
149.01208	1.0
152.96960	0.8
158.05678	2.1
158.08093	22.1
158.09361	35.4
158.11688	8.1
158.15379	4.9
159.07629	1.4
159.11478	0.7
162.04265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.4
55.05516	4.3
56.05034	0.6
57.07071	0.5
65.03940	0.5
67.05505	0.5
68.96336	0.5
69.03429	0.7
70.00962	1.3
70.06590	1.1
70.94270	0.4
71.04998	0.3
71.94099	0.6
72.78104	0.3
72.93399	0.4
72.93795	4.2
79.01855	0.9
79.05504	1.8
80.02189	1.6
80.05028	0.5
81.03428	0.3
81.07064	7.0
82.06609	1.5
83.04976	0.4
83.07375	0.8
83.08620	0.8
84.04521	0.4
84.08156	0.6
90.94830	0.7
91.05496	1.7
93.05790	0.7
95.04997	0.6
95.08635	0.3
96.04522	0.5
96.08131	0.5
97.02928	0.3
97.05277	2.5
98.03224	0.4
98.06071	2.9
98.09700	1.5
108.01646	0.5
108.08138	3.2
109.02865	0.6
109.06526	6.0
109.10158	0.3
110.06046	4.5
111.06833	3.9
113.96421	2.5
119.04953	0.5
124.07568	0.4
125.08395	1.1
126.02693	0.4
126.05505	0.2
126.09165	3.4
127.03886	0.3
130.96317	0.9
131.97475	0.9
136.07590	0.9
137.05965	2.7
138.05479	0.6
138.87531	0.2
139.06294	4.8
144.03737	1.1
148.97385	0.7
149.97166	0.3
152.07014	0.5
154.02179	4.4
154.03319	1.0
154.08646	100.0
155.03490	0.3
155.07085	0.4
155.09030	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93834	2.6
55.05527	0.8
55.93512	0.6
55.94610	0.5
56.96561	1.7
57.03439	0.3
69.30318	3.1
69.96181	30.3
70.95513	0.7
70.95872	7.0
71.70133	0.4
71.94106	12.3
72.93797	8.3
81.03426	0.7
81.07069	0.6
83.04988	0.4
87.97217	0.6
88.96916	0.5
89.95145	0.4
90.94836	1.2
91.05505	0.8
92.05820	3.3
98.97586	1.1
109.02906	1.9
110.07137	1.1
110.98799	1.3
111.04449	0.5
111.98499	2.9
113.95115	9.9
113.96354	3.1
116.03125	0.3
120.05290	2.1
125.06200	0.3
127.03934	1.6
129.99506	0.8
131.01912	0.4
131.96159	100.0
132.95836	10.9
137.05998	0.7
138.06322	8.7
141.95767	0.5
149.97211	57.5
150.96873	7.1
154.97769	3.3
155.03340	1.1
155.04489	0.5
155.06981	0.7
155.08092	0.5
155.97470	0.7
167.98250	2.0
172.98828	2.2
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	Perilla alcohol
Peak:m/z	Relative Intensity
51.02375	1.1
53.03954	2.0
55.01871	1.8
55.05273	1.4
55.05518	14.3
57.03451	5.3
57.07070	2.6
59.04982	1.3
65.03947	7.1
67.05510	36.0
69.03426	3.4
69.07074	55.6
70.07402	1.2
70.94266	6.2
70.95867	2.3
71.05000	2.9
71.94083	2.5
71.95249	1.2
73.06557	1.1
78.02278	0.9
79.01863	9.4
79.05502	30.6
80.05858	0.9
81.07064	42.7
82.07401	1.2
83.04983	7.1
83.08627	7.8
85.06551	2.7
88.95324	1.2
90.48203	0.8
91.05493	7.1
93.03404	7.0
93.07055	49.5
95.05003	1.7
95.08618	19.9
97.02924	1.9
97.06538	23.0
107.01337	2.9
107.04967	3.5
107.08604	56.1
109.06508	1.8
109.10168	35.3
110.03673	1.6
110.10544	1.2
111.04497	8.3
111.08101	8.4
111.11742	1.4
111.96855	4.7
112.96691	1.1
125.02383	2.9
125.04343	0.8
125.06024	5.8
125.06820	1.0
125.09655	1.4
129.97910	1.9
135.04367	1.2
135.11703	100.0
136.07544	1.0
136.12038	2.8
137.05978	2.1
143.03418	6.7
153.01837	15.6
153.02977	4.5
153.05496	4.4
153.07446	3.4
153.12759	81.2
154.04999	2.4
154.08618	1.8
154.13116	1.5
171.98907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	1.4
51.02383	4.9
53.64659	0.4
55.01888	0.9
68.99785	0.5
69.03441	1.8
70.05093	1.1
79.01860	48.5
80.02195	0.4
87.00818	0.9
97.02898	9.5
97.19337	0.3
107.01326	9.5
123.00803	2.1
125.02361	16.8
137.33899	0.4
143.03406	31.8
153.01854	100.0
153.02989	30.4
154.02138	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.5
51.02380	5.8
51.85499	0.3
55.01868	1.1
68.99792	0.5
69.03436	1.8
69.86604	1.8
70.94263	0.5
78.99274	0.4
79.01855	50.3
79.05488	0.4
80.02189	0.7
83.07342	0.3
84.40214	0.4
85.86805	0.3
87.00829	1.0
97.02892	8.8
98.20760	0.6
107.01315	10.8
111.04495	0.7
111.05461	0.3
112.01426	0.3
123.00788	1.8
124.66915	0.3
125.02357	16.3
143.03397	34.6
144.03712	0.6
153.01851	100.0
153.02982	28.4
154.02139	1.5
154.03316	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	1.6
51.02382	6.0
53.03947	0.4
55.01870	1.1
55.05519	0.4
67.87327	0.4
68.99802	0.7
69.03434	1.8
69.07067	0.5
70.09630	1.5
70.94244	0.8
79.01859	52.0
80.02204	0.5
81.07041	0.4
82.99440	0.4
87.00825	1.3
93.07065	0.4
95.01317	0.7
97.02904	7.3
97.06532	0.7
107.00623	0.7
107.01328	10.7
107.08627	0.7
111.04489	0.5
111.08029	0.3
111.96933	0.5
123.00771	2.3
125.02363	15.6
138.13159	0.4
142.04767	0.4
143.03406	32.5
144.03731	0.8
153.01855	100.0
153.02989	31.7
154.02174	2.1
155.67792	0.4
166.05049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.5
51.02385	6.1
53.00309	0.8
55.01870	0.9
58.64588	0.4
68.99801	0.5
69.03449	2.3
69.40191	3.5
79.01859	52.0
80.02171	0.6
87.00835	1.0
88.89008	0.4
93.07054	0.4
97.02901	7.4
98.21503	0.5
107.01324	11.0
107.08578	0.7
123.00822	1.7
125.02363	15.0
143.03406	32.5
144.03738	0.5
153.01837	100.0
153.02979	30.9
154.02202	1.8
154.03339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.7
51.02380	5.5
55.01868	1.1
65.72520	0.4
68.99792	0.5
69.03432	2.5
70.09799	1.4
79.01857	51.9
80.02177	0.6
81.07067	0.5
87.00834	1.3
95.01320	0.6
96.90768	0.4
97.02899	7.9
98.20771	0.5
103.12281	0.4
107.00639	0.7
107.01324	12.1
115.82722	0.5
122.13358	0.4
123.00786	2.4
125.02354	15.3
135.84834	0.4
143.03406	31.8
144.03708	0.7
153.01814	100.0
153.02954	31.9
154.02122	1.8
154.03256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.4
50.02718	0.4
51.02386	6.0
51.99844	0.4
54.97788	0.5
55.01869	1.2
61.02283	0.5
68.99797	0.5
69.03432	1.7
71.04974	1.0
71.05330	0.7
79.01859	53.7
80.02190	0.7
87.00835	1.0
97.02895	8.6
107.01326	10.9
123.00788	1.8
125.02360	17.5
125.25890	0.5
137.71515	0.5
143.03406	30.3
153.01834	100.0
153.02975	29.5
154.02151	2.1
154.03307	0.7
166.04953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	1.6
51.02383	6.2
55.01869	1.1
64.38815	0.4
68.99796	0.5
69.03419	2.1
69.34293	3.1
79.01858	51.9
80.02182	0.4
87.00837	0.6
95.04935	0.4
97.02894	8.0
107.01320	10.6
107.08615	0.5
123.00771	2.1
125.02354	16.1
143.03398	31.7
147.15520	0.4
153.01857	100.0
153.02988	32.3
154.02231	1.5
154.03397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03941	1.8
55.01864	2.0
55.05510	2.9
57.03427	1.4
57.07066	1.4
59.05005	1.3
65.03947	4.7
67.01862	1.9
67.05177	1.1
67.05507	11.9
68.99795	1.3
69.03427	2.3
69.07056	1.9
77.03956	0.8
79.05495	6.3
81.03433	1.4
81.07063	17.7
83.04971	0.9
91.05485	9.9
93.05774	1.4
93.07041	6.3
95.01380	0.6
95.04976	9.5
95.08614	8.3
97.06549	1.1
103.05505	0.7
105.03400	0.7
105.04542	0.6
105.07041	14.1
107.04936	0.9
107.08604	6.7
108.02108	2.7
109.06522	16.3
109.10157	9.6
119.04941	1.8
121.06532	0.9
121.10167	2.1
123.04433	8.9
123.08062	6.6
123.11708	4.8
124.07565	1.4
133.10130	6.4
136.08830	2.1
141.05437	1.1
151.02901	1.6
151.03915	20.1
151.05061	5.0
151.07588	5.9
151.11192	100.0
152.07033	4.2
152.11557	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	152.0707
Annotation	N-METHYLANTHRANILIC ACID
Peak:m/z	Relative Intensity
53.41841	0.3
54.68233	0.3
60.13802	0.3
61.91531	0.3
65.03935	0.9
67.05502	0.5
70.74370	0.9
70.74740	0.3
72.63670	0.3
79.05499	0.7
84.03967	0.2
88.88508	0.3
92.05007	7.9
93.05772	1.7
94.06569	0.4
105.76487	0.3
106.06560	3.6
110.06049	5.7
122.06049	2.6
123.06841	0.5
125.04726	1.1
134.06024	10.5
135.03029	0.7
138.05510	1.0
143.01878	0.3
152.07069	100.0
153.04077	0.5
153.07426	2.0
160.19780	0.3
161.02951	0.3
163.11172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	1.3
51.02382	6.4
55.01870	1.6
65.03920	0.9
69.03413	2.4
70.94254	1.8
70.98101	0.8
71.02655	1.5
79.01853	52.0
79.05479	1.0
80.02187	0.9
87.00806	1.0
91.05439	0.9
93.07059	0.9
95.04968	0.7
97.02891	9.2
107.01318	12.7
107.04927	2.2
107.08552	1.0
111.04446	1.0
111.96909	0.8
123.00807	2.2
125.02351	17.0
125.06011	0.8
130.96362	0.8
135.08026	0.7
137.05969	0.8
137.37059	0.7
143.03397	32.9
143.04526	1.7
147.00648	0.7
153.01810	100.0
153.02954	32.2
154.02171	2.0
154.08644	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.5
51.02382	6.1
55.01881	1.1
65.03947	3.7
67.05522	0.3
68.99802	0.4
69.03428	2.6
70.86993	0.8
79.01856	53.8
80.02194	0.7
87.00831	0.8
93.03412	3.2
93.07076	0.4
95.01353	0.5
97.02899	8.8
97.03516	0.5
107.01323	11.6
107.02066	0.7
107.08601	0.5
111.04462	2.7
111.08082	0.4
111.22900	0.4
123.00760	2.1
125.02358	17.1
125.06023	1.9
143.03403	34.1
144.03799	0.5
153.01848	100.0
153.02985	32.3
154.02167	2.4
154.03282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02373	0.4
53.03946	2.3
55.01871	2.7
65.03940	3.4
67.05509	9.9
68.99773	1.2
70.26293	0.7
70.26662	0.7
70.95860	0.4
72.93785	0.8
77.03945	2.0
79.05484	1.5
81.03402	1.3
81.05793	0.4
81.07024	1.2
83.04966	0.6
91.05505	3.4
91.70749	0.3
93.07037	1.0
94.06633	0.3
95.04978	14.7
95.08599	1.0
96.97653	0.3
105.03394	4.4
105.04514	0.7
105.07018	1.9
106.06545	0.5
107.04955	0.8
107.08625	0.6
108.02097	1.7
109.02864	0.4
109.04782	0.5
109.06535	0.7
109.10187	0.5
119.04942	1.3
123.04438	100.0
123.08053	1.0
123.11689	0.5
124.03966	0.6
124.04770	1.7
124.07555	0.4
125.04731	0.5
132.95816	1.0
133.02864	21.5
133.06456	0.4
134.03186	0.4
134.06033	0.7
141.05481	0.9
150.96887	0.4
151.03929	35.3
151.05038	4.1
151.07558	1.4
151.08679	1.3
151.11220	0.7
152.04396	0.5
152.05794	0.7
152.07018	2.2
152.10718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03943	1.4
55.01862	1.5
55.05514	8.7
57.07084	0.7
57.60924	0.4
59.05005	1.2
65.03931	2.9
67.05510	10.4
68.99762	0.4
69.03436	1.8
69.07088	2.4
69.49044	3.0
76.47230	0.5
79.05506	5.9
81.03402	0.5
81.07064	18.9
83.04996	1.1
83.08618	0.7
91.05485	7.2
93.07070	5.5
94.61462	0.6
95.04976	6.9
95.08614	6.0
97.06528	1.7
105.04507	0.7
105.07038	13.2
107.04961	1.1
107.08607	7.1
108.02095	3.3
108.05783	0.6
109.06526	14.3
109.10168	9.5
113.13301	0.5
119.04968	0.8
119.06078	1.0
121.06565	1.4
121.10179	2.6
123.04432	4.5
123.08083	6.6
123.11729	4.6
131.08539	0.8
133.10133	5.5
136.05244	0.5
136.08873	2.6
141.05489	0.7
151.02933	0.5
151.03917	16.3
151.05058	6.1
151.07591	5.7
151.11194	100.0
152.07051	1.1
152.11594	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	149.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04604	1.0
53.03956	5.8
55.01863	4.2
60.27533	0.9
60.41530	0.9
65.03943	67.7
67.05495	3.9
69.95304	4.8
77.03929	1.6
77.32185	1.1
79.05482	3.5
80.02634	1.5
81.03388	1.0
81.07059	2.5
82.84555	1.0
91.05485	95.3
92.05805	1.5
93.03416	11.3
93.07046	15.1
95.04968	6.5
98.03664	2.0
98.20831	1.2
103.05463	4.5
105.03393	2.4
105.04523	2.6
106.04166	1.3
107.04948	2.3
107.08588	2.5
108.04472	2.5
109.06519	16.1
110.95379	0.9
111.04442	6.9
119.06068	12.2
121.02867	57.4
121.03979	22.4
121.06513	1.5
122.06024	2.0
149.02345	100.0
149.05978	16.1
149.13274	1.8
150.02673	2.2
163.32983	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03935	3.2
55.01858	1.2
55.05511	5.8
57.07067	3.6
65.03939	37.5
67.05501	1.3
69.07061	5.3
70.63055	1.3
71.08081	1.9
71.08423	1.7
77.03914	1.3
79.05499	16.1
80.05006	1.5
81.07049	2.4
82.13998	1.3
91.05470	20.8
93.03403	9.1
93.07044	24.3
95.04961	1.7
95.08617	1.6
103.05476	5.2
105.06302	1.9
105.07028	40.6
107.08595	41.4
108.04483	2.8
108.08893	1.7
109.06511	3.5
111.04431	4.4
115.53254	1.2
119.08579	12.9
120.09399	1.5
121.02859	45.6
121.03968	13.8
121.06499	2.9
121.10143	100.0
122.06007	2.2
122.10487	3.3
123.08067	5.3
133.07626	5.7
133.10138	3.1
134.10912	3.4
149.02338	68.2
149.09647	8.6
149.13263	12.9
150.02713	1.3
150.09319	1.2
151.02394	5.0
169.03500	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0813
Annotation	cis-5-Hydroxypipecolic acid
Peak:m/z	Relative Intensity
55.05515	32.9
56.05043	5.4
60.01004	0.6
60.05681	0.7
70.06600	1.0
70.99237	1.3
74.02445	8.1
80.05035	1.5
82.06585	100.0
83.06940	1.2
86.06081	2.5
87.04465	2.6
100.07624	47.3
127.32675	0.7
128.07083	13.8
128.07971	1.3
129.35690	0.6
146.08136	21.5
146.09210	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0813
Annotation	cis-5-Hydroxypipecolic acid
Peak:m/z	Relative Intensity
50.15825	0.6
53.03933	0.7
55.05517	30.5
56.05042	5.3
67.02905	0.6
70.19457	2.7
70.19812	1.0
74.02454	6.5
80.05042	1.5
82.06586	100.0
83.06903	1.4
84.04504	0.8
86.06079	1.8
87.04485	2.7
100.07625	43.0
103.44769	0.5
106.10210	0.6
116.82073	0.6
128.07085	17.9
146.08144	21.6
146.09238	1.5
163.52567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0814
Annotation	cis-5-Hydroxypipecolic acid
Peak:m/z	Relative Intensity
53.03950	0.9
55.05518	32.3
56.05040	4.8
56.96565	2.9
65.03925	0.5
70.06585	0.5
70.55165	0.8
70.55505	1.2
72.08163	1.7
73.06561	0.7
74.02444	6.7
79.91106	0.5
80.05039	1.3
82.06590	100.0
83.06907	1.2
84.04518	0.6
85.02929	0.5
86.06059	0.7
87.04507	0.7
91.05489	1.0
95.63068	0.4
97.02930	0.6
98.20830	0.6
98.97601	3.7
100.07627	42.1
100.11283	1.0
119.04947	0.6
125.67554	0.6
128.05057	0.6
128.07094	16.0
131.34970	0.5
146.06044	1.7
146.08144	21.4
147.03345	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0813
Annotation	cis-5-Hydroxypipecolic acid
Peak:m/z	Relative Intensity
51.49607	0.3
53.03944	0.6
55.05515	31.1
56.05038	4.8
56.05857	0.4
67.04255	0.4
70.01258	0.8
70.01658	0.5
70.06591	0.6
73.08487	0.4
74.02444	6.2
80.05016	0.8
82.06585	100.0
83.06924	1.7
84.04513	1.1
84.08142	0.3
100.07623	40.7
110.06046	0.5
128.07086	15.2
130.04996	0.4
146.08128	20.9
147.08505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03955	1.0
55.05500	1.1
56.05846	1.2
60.62746	0.6
62.88522	0.7
65.03947	8.8
71.04964	0.7
82.06564	0.8
83.06901	3.7
84.04514	1.8
85.02971	0.8
91.05490	100.0
92.05825	1.3
101.07977	1.3
103.05474	0.8
105.03409	1.2
105.07035	8.3
107.08619	1.2
114.04954	0.6
117.07024	2.2
119.04955	79.5
119.08596	11.2
120.05321	1.7
120.08102	0.7
123.96487	0.6
129.06999	1.2
145.10188	0.6
147.04430	33.5
147.08156	2.7
147.11717	5.3
148.04868	0.8
155.96590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03946	0.9
55.05524	0.6
56.05844	0.6
65.03946	10.8
70.14487	1.4
70.14843	1.0
79.05473	0.6
83.06907	2.2
84.04506	1.2
84.35172	0.4
91.05487	100.0
92.05814	2.3
101.07956	1.4
105.07039	2.3
106.06572	0.5
118.24129	0.6
119.04949	91.0
119.08588	2.8
120.05276	1.9
130.05008	0.5
130.06540	6.1
132.06844	0.6
147.04428	33.2
147.08249	0.8
147.09210	8.9
147.11668	0.9
148.03938	0.6
161.06482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.8
55.01861	3.5
55.05512	6.0
56.05031	2.0
57.03442	4.8
58.24893	0.9
62.92994	16.7
65.03950	1.7
67.05513	8.9
69.03437	6.4
71.01344	2.6
71.04996	24.1
71.40327	1.3
72.08145	3.5
74.02448	2.4
79.05492	5.3
81.03418	8.7
82.06124	1.8
82.06584	25.3
84.99206	1.2
85.02908	16.1
86.06094	1.7
87.04441	1.2
91.05489	29.6
97.02898	5.2
99.04457	56.5
99.06353	2.4
99.10023	2.9
100.07622	13.0
101.02400	1.6
103.05446	4.8
105.07037	71.8
106.07340	1.3
107.84243	0.9
110.06074	1.4
115.05462	17.2
116.06259	7.5
117.07025	71.2
118.06527	3.0
118.07311	2.1
121.96652	21.5
127.03915	10.9
128.06219	7.8
128.07097	5.2
129.07025	13.5
130.07797	47.4
143.08543	9.9
144.98282	1.5
145.03990	1.7
145.04982	3.3
145.06543	2.3
145.10130	100.0
146.06035	3.9
146.08109	5.6
146.10495	3.3
152.39545	1.0
155.06067	1.4
159.32919	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.2
55.01861	4.9
55.05516	10.9
55.18069	0.9
56.05050	1.8
57.03429	4.2
62.92749	1.3
62.92995	14.8
65.03925	1.4
67.05507	7.0
69.03424	2.1
71.01337	1.8
71.05000	18.6
71.31573	2.2
72.08135	3.7
74.02431	1.7
74.07196	1.3
79.05499	7.2
81.03440	8.2
82.06584	39.0
85.02906	5.7
86.06079	2.3
87.04467	1.2
89.57719	1.4
91.05485	30.5
97.02896	1.8
98.21072	1.9
99.04460	46.2
99.06391	2.4
99.10005	3.3
100.07613	17.5
101.02399	1.3
102.60603	1.1
103.05470	5.0
105.07036	74.8
115.05466	18.6
116.06272	7.6
117.07030	71.3
118.01077	1.0
118.06583	2.1
118.07339	2.5
121.96650	23.2
127.03918	8.0
128.06206	6.6
128.07101	4.3
129.07022	11.5
130.07790	45.1
143.08601	9.8
144.98270	2.5
145.03925	1.7
145.05037	3.7
145.06473	2.6
145.10132	100.0
146.06038	2.3
146.08122	9.6
146.10512	2.9
155.06125	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25745	1.1
53.03956	11.0
55.01875	7.5
55.05518	8.8
56.05036	3.5
57.03443	7.2
58.61729	1.1
60.40155	1.2
62.92697	1.2
62.92995	20.7
65.03924	2.4
67.05510	8.3
69.03442	6.9
71.02753	3.2
71.04996	29.9
72.08163	7.6
74.02431	1.3
74.07208	1.5
79.05479	6.2
81.03413	11.3
82.06586	33.5
84.99250	1.3
85.02910	19.1
86.03220	1.6
86.06073	3.2
87.04491	2.0
91.05490	29.1
91.06018	1.0
97.02916	7.0
99.04459	74.9
99.06393	2.4
99.10036	3.1
100.07634	19.2
103.05450	3.4
105.07038	77.1
106.07365	2.0
107.17354	1.3
115.03912	1.5
115.05466	21.5
116.06278	7.7
117.07027	73.2
118.06551	4.8
118.07320	2.4
121.96658	29.2
127.03929	11.4
128.06223	6.4
128.07111	5.4
129.07024	13.8
130.07794	43.8
143.08591	10.2
144.98270	1.8
145.03929	1.4
145.05020	4.7
145.06471	3.3
145.10132	100.0
146.05992	3.6
146.08144	7.0
146.10513	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	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
55.05516	7.2
56.05039	0.7
71.11907	0.7
71.12231	0.8
72.08156	0.6
74.02429	1.1
82.06583	15.8
87.74092	0.5
91.04906	1.0
91.05488	25.2
100.07619	8.6
117.05767	5.1
118.06550	100.0
119.06900	1.8
128.04961	2.1
128.07051	2.9
146.06032	12.3
146.08046	3.3
164.36201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.102
Annotation	1-Aminocyclohexanecarboxylic acid
Peak:m/z	Relative Intensity
50.80511	0.3
55.05504	0.5
56.05035	0.9
56.64445	0.3
56.96563	1.6
57.04558	0.5
67.05511	0.8
69.65483	2.0
70.06599	7.4
71.05004	0.7
72.08164	2.3
74.07203	0.5
80.73241	0.3
84.08151	19.8
85.06547	0.9
85.08474	0.5
86.06044	0.3
93.20809	0.3
98.01276	0.4
98.06080	0.7
98.09700	100.0
98.97604	0.8
99.10030	1.3
102.01022	1.0
102.96880	0.5
110.26660	0.4
111.40274	0.3
116.07067	0.3
116.98648	0.3
119.01955	0.5
120.02043	1.5
121.01687	0.7
128.11819	0.4
141.30629	0.3
144.10208	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	144.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.3
56.05032	1.1
56.96566	1.2
57.03421	0.3
67.05511	0.6
69.59779	0.7
69.60188	1.0
70.06596	7.6
71.04985	0.3
72.08149	1.2
72.92030	0.2
74.07191	0.4
80.05031	0.3
84.08147	17.6
85.06535	0.8
86.06048	0.3
95.00752	0.3
96.08125	0.3
98.06074	0.6
98.09696	100.0
98.97603	0.8
99.10034	1.3
101.00902	0.3
102.00962	1.2
102.96867	0.4
103.00644	0.3
103.97147	0.3
119.01919	0.3
120.02015	1.4
121.01710	0.4
144.05058	0.4
144.10205	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32848	4.0
71.49476	6.2
71.49844	5.2
82.99828	12.3
83.44798	3.8
90.42341	4.0
90.60075	4.0
101.00886	54.4
106.25768	4.3
119.01926	100.0
128.49525	9.8
137.02966	19.8
137.50012	7.9
140.00372	5.7
142.03485	19.5
160.04517	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73728	3.1
56.96553	8.4
68.05019	5.3
69.65481	20.1
70.06585	8.0
72.28753	3.5
75.12564	3.4
81.04543	17.3
82.06567	3.8
82.99857	7.4
84.08139	6.9
85.51648	3.2
95.06111	3.5
96.08134	13.2
98.20765	6.3
100.97210	9.1
101.00272	6.4
101.00889	66.8
119.01929	100.0
124.08688	7.2
125.02413	5.7
125.07135	6.6
137.02954	8.8
142.03540	18.2
142.08664	12.8
142.09666	3.3
143.03403	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	142.0863
Annotation	(+)-ethosuximide
Peak:m/z	Relative Intensity
53.03942	4.0
53.80345	2.2
55.01862	5.6
55.05494	8.3
56.05013	4.4
56.79942	2.3
57.03424	4.2
58.06593	11.4
59.93112	3.1
65.68658	2.7
65.88818	2.4
68.05022	3.5
69.03441	12.2
69.07074	22.7
69.54969	2.3
70.06578	11.3
70.75778	5.9
71.04993	2.5
71.08633	100.0
72.08148	7.2
79.05493	15.0
81.04536	14.3
81.05798	2.4
81.07043	10.3
82.06574	7.7
84.08147	22.7
85.02882	3.1
86.06041	3.2
95.06073	3.4
96.04475	7.1
96.08140	34.6
97.02896	16.8
97.06526	23.2
98.06004	3.9
101.95055	2.7
104.19913	2.6
106.06535	2.6
110.06084	4.5
112.07600	3.2
114.09167	53.4
115.05401	4.3
118.96742	6.7
119.01965	2.5
124.07581	21.5
124.08570	4.7
125.02361	11.6
125.06009	14.4
128.06192	4.9
141.07025	4.0
142.04967	3.5
142.07619	2.5
142.08653	44.0
142.09752	3.8
142.12253	5.1
143.03394	97.8
143.04524	5.2
143.11780	8.3
155.51953	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	140.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27183	1.0
53.00302	1.6
53.03947	2.7
55.01857	2.8
55.05507	1.6
56.05019	1.0
56.96570	19.7
57.03436	2.5
57.93569	6.0
60.45625	1.0
65.03931	4.0
66.04272	2.6
67.01835	1.4
67.05509	34.6
68.05020	2.4
68.99777	1.4
69.03094	1.8
69.03437	25.7
69.07071	28.9
70.06593	4.6
71.04970	1.9
71.25790	1.8
71.95271	7.6
80.05003	1.3
81.03410	3.3
82.06585	1.1
83.04984	1.5
84.04506	1.8
84.08143	5.5
87.83073	1.0
94.02927	2.0
94.03747	2.2
94.06572	16.7
95.01312	1.9
95.04977	28.7
95.08626	1.7
96.05328	1.2
97.02916	9.2
98.06080	1.8
98.97589	100.0
109.02908	1.2
110.03678	1.2
112.03955	13.6
112.04765	4.2
112.07617	48.7
112.11221	1.2
113.02360	3.9
113.06004	7.9
116.97335	10.4
116.98624	55.5
122.02407	1.6
122.03172	5.5
122.06044	14.5
123.04434	3.5
123.07198	1.2
123.08041	1.4
125.02340	16.2
134.99666	19.2
136.31352	1.0
138.05476	1.5
140.00188	1.3
140.03378	8.4
140.04330	12.5
140.07077	23.7
140.08116	1.2
140.10730	6.2
141.01889	4.8
141.02779	1.2
141.05431	1.9
147.26051	1.0
153.00752	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0707
Annotation	1,2,3,6-tetradehydro-propylproline
Peak:m/z	Relative Intensity
53.00307	1.8
53.03951	26.8
54.00637	1.7
55.01863	3.3
55.05506	1.2
56.05036	1.1
56.96563	6.0
57.03426	1.2
57.20341	0.8
57.93559	1.5
58.06594	1.0
60.63530	1.0
62.35318	0.9
65.03947	6.0
66.04295	2.4
67.05508	42.0
68.05013	1.2
69.03426	1.3
69.07076	9.5
70.06606	5.1
70.64949	0.8
70.67319	2.3
71.95250	1.3
74.50215	0.9
77.03927	6.6
77.76756	1.0
79.05478	1.7
81.03420	5.5
81.07066	2.4
84.04508	1.2
84.08157	8.9
93.05798	16.0
94.06572	55.3
95.01327	1.8
95.04974	34.9
95.08620	2.0
96.04507	4.4
97.02888	1.6
97.06535	2.2
98.06046	1.0
98.97589	29.2
101.82388	0.9
105.04524	11.9
112.03973	5.5
112.04721	1.8
112.07607	17.3
113.02377	1.7
113.05984	1.3
116.97235	3.5
116.98614	13.0
122.03190	3.2
122.06038	100.0
123.04459	2.2
123.06369	1.6
125.02372	2.3
125.04776	1.2
125.06019	1.2
134.99641	3.7
140.03421	2.0
140.04276	18.4
140.07072	51.7
140.10690	2.6
141.01805	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	139.1119
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
52.34752	1.0
53.00311	10.6
53.03940	2.9
55.01881	5.4
55.05521	5.3
56.96564	3.0
57.07067	4.4
59.05004	3.4
65.03948	18.7
67.05492	4.1
68.99787	3.7
69.03434	100.0
69.07079	5.4
69.62607	6.1
70.03762	1.3
79.05495	4.6
79.46000	0.9
81.07064	2.6
83.04987	16.6
91.05492	3.2
93.03417	7.0
93.04581	1.6
93.07053	12.3
94.06555	3.0
95.04971	5.7
95.08633	5.5
96.04506	2.2
97.02885	2.6
97.06544	13.6
98.97615	6.2
98.98460	4.8
105.07063	6.3
110.06079	1.1
111.04455	18.2
111.08096	2.5
112.03983	1.4
116.97297	1.9
116.98653	2.6
119.08591	1.4
121.02866	11.6
121.04002	2.1
121.10141	11.8
122.06065	1.8
123.08064	1.2
126.58838	1.1
126.60065	1.0
127.84230	1.0
133.07706	1.2
139.03915	92.9
139.07532	2.2
139.08620	1.5
139.11189	44.4
140.04266	1.9
140.07014	1.1
140.11555	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89657	0.5
53.77502	0.5
56.96567	18.1
56.96844	0.9
70.44633	1.8
71.95273	6.0
95.95057	0.4
98.97588	100.0
110.92947	0.4
112.07607	0.5
116.98629	35.8
119.42384	0.5
123.07194	0.8
128.99609	0.5
134.99660	7.0
140.04305	0.6
140.07097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1118
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.00307	1.6
53.03947	1.9
54.74663	0.4
55.01878	2.4
55.05513	4.4
56.96565	1.1
57.03438	0.6
57.07074	4.2
59.04998	3.1
64.81615	0.4
65.03938	4.5
67.05505	2.5
68.99807	1.1
69.03430	100.0
69.07069	4.0
69.67136	1.6
69.67545	0.7
70.03763	1.1
70.06608	0.7
79.05486	3.8
81.07059	2.0
82.59862	0.5
83.04986	10.4
90.72517	0.5
91.05476	2.7
92.80630	0.4
93.03418	2.9
93.04525	0.6
93.07050	9.8
94.06589	1.1
95.04979	4.3
95.08609	4.7
97.04806	0.4
97.06539	11.9
97.10178	1.0
98.21497	0.7
98.97601	2.9
98.98467	3.1
105.04530	0.6
105.07027	3.6
109.10153	0.6
111.04436	6.0
111.08092	1.6
112.03933	0.5
116.97252	0.6
116.98622	1.6
119.08646	1.1
121.02886	2.8
121.03982	2.0
121.10145	11.5
122.05993	0.6
122.06827	0.9
133.07544	0.6
139.03914	18.1
139.04922	0.9
139.07571	1.0
139.11182	40.7
140.11543	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Gentisate aldehyde
Peak:m/z	Relative Intensity
53.00308	12.2
53.03933	1.3
55.01871	2.7
55.05505	1.2
56.96577	0.7
57.40933	0.5
65.03618	1.1
65.03944	16.8
65.04284	1.1
67.01861	1.8
67.05492	2.2
68.99792	4.7
69.03433	1.0
70.66115	1.4
71.01347	0.7
75.39169	0.4
83.04987	3.1
93.03421	4.6
95.04974	1.2
97.02903	1.1
98.97596	2.0
98.98469	0.6
99.11286	0.5
111.04452	10.8
116.98612	0.8
121.02866	12.2
137.42169	0.4
139.03905	100.0
140.04230	1.4
151.28281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	2,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.64213	0.5
53.00309	17.6
53.03927	0.6
54.44679	0.4
55.01862	1.6
55.05507	0.7
56.54005	0.4
62.66771	0.5
65.03943	17.6
65.04286	0.9
68.99785	2.0
69.03425	0.9
70.80994	0.7
70.81327	0.7
83.04970	1.7
93.03416	3.2
98.98453	0.8
111.04439	7.7
121.02872	15.7
139.03906	100.0
140.04259	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	139.039
Annotation	2,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.00309	16.0
53.03945	1.2
55.01869	1.4
55.05513	0.8
56.96565	0.6
63.01208	0.4
63.60532	0.4
65.03943	18.4
67.05489	1.4
68.99795	2.3
69.03435	1.3
71.04653	0.9
83.04963	1.9
93.03416	4.6
93.04550	0.4
95.04969	4.2
97.02865	0.8
98.97590	1.2
98.98459	1.1
105.04517	0.6
111.04442	9.1
112.03924	0.5
116.97183	0.5
116.98612	0.7
121.02876	16.5
121.03893	0.9
122.03241	0.5
139.03906	100.0
140.04239	1.9
140.57758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Gentisate aldehyde
Peak:m/z	Relative Intensity
53.00313	12.7
53.03941	1.3
55.01873	3.2
55.05516	1.6
56.96563	1.0
57.93572	0.8
65.03944	16.6
65.59945	0.4
67.01862	1.7
67.05509	2.7
68.99797	5.2
69.03419	1.8
69.07076	0.8
70.56079	1.4
71.01349	0.7
71.95255	0.6
76.86136	0.5
83.04982	4.6
91.05486	0.8
93.03417	6.3
93.07040	1.5
94.06577	0.7
95.04975	2.8
97.02916	2.1
97.06538	0.5
98.97604	3.9
98.98459	1.9
99.00840	0.6
111.04446	15.1
116.88219	0.4
116.97269	0.8
116.98620	1.8
121.02881	10.1
121.03977	1.4
130.75749	0.4
139.03912	100.0
139.12323	1.0
140.04271	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1118
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
50.38733	0.5
52.01915	0.5
52.46479	0.4
53.00306	1.6
53.03949	1.3
55.01867	1.3
55.05521	3.9
56.25976	0.5
56.96568	0.9
57.03452	0.6
57.07076	3.8
59.04998	3.1
65.03944	4.3
67.05517	2.5
68.99780	1.4
69.03432	100.0
69.07075	3.3
69.89465	2.6
70.03747	1.1
77.03956	0.5
79.05496	3.4
81.07056	2.1
83.04980	11.7
84.49075	0.5
91.05506	2.5
93.03411	1.8
93.07047	10.8
95.04974	3.5
95.08605	5.0
96.05756	0.5
96.24251	0.5
97.06532	12.7
98.21527	0.6
98.97603	3.0
98.98462	2.1
100.54219	0.4
105.07038	4.3
106.07825	0.6
109.10152	0.7
111.04440	6.5
111.08079	1.1
112.03985	0.5
115.63982	0.5
116.97224	0.6
116.98637	1.6
119.08568	0.8
121.02866	1.8
121.03985	1.2
121.06501	0.5
121.10146	9.2
122.06058	1.2
123.08041	0.7
133.07605	0.6
139.03914	16.8
139.04912	1.0
139.07555	0.8
139.11182	41.4
140.07034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03946	4.3
55.01867	2.3
55.05497	2.6
56.63197	0.8
65.03934	5.4
66.04729	6.1
67.05508	31.4
68.05828	0.8
69.03409	2.6
69.07061	2.3
69.81654	2.3
69.82059	2.0
70.87349	0.7
77.03922	1.9
77.39104	0.7
78.60260	1.0
79.05502	10.7
80.05044	0.8
81.03408	2.8
81.07064	21.4
91.05486	66.6
92.05036	0.9
92.05801	1.3
93.07052	9.3
94.04192	39.3
94.06564	2.0
94.07816	1.7
95.04990	5.3
95.06110	4.1
95.08611	14.0
96.04478	2.9
103.05497	2.4
104.06230	1.4
105.04499	1.2
107.04227	0.8
107.04964	24.3
107.08596	2.2
109.06545	5.8
109.10162	37.3
110.06031	2.6
117.07018	1.8
119.04954	15.3
119.08586	16.5
120.08172	1.0
121.02830	1.1
121.06506	15.4
122.03660	53.7
122.07293	100.0
123.04008	1.1
123.07608	2.5
135.04424	0.7
135.08070	3.9
137.02534	6.4
137.05974	87.1
137.09624	86.1
137.10602	2.8
137.13185	1.0
138.05501	6.7
138.06377	1.6
138.09061	1.8
138.10028	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.5
53.03934	4.2
55.01855	3.8
55.05504	4.7
56.96553	1.6
57.07080	8.0
65.03941	12.0
66.04709	5.5
67.05507	29.7
68.05024	2.0
69.03408	3.9
69.07082	5.6
77.03918	1.2
79.05495	16.6
80.05003	2.4
81.03400	4.2
81.07057	54.1
82.06578	2.5
83.38505	1.0
91.05485	100.0
92.04975	2.4
92.05804	2.4
93.07047	13.7
94.04186	40.4
94.06561	2.7
95.01367	1.1
95.04457	1.0
95.04987	7.0
95.06099	9.0
95.08611	59.5
96.04491	9.9
96.08959	0.9
100.40636	1.2
103.05453	1.8
105.04492	1.5
107.04929	4.4
107.08598	1.6
109.06522	11.0
109.07617	1.9
109.09569	1.1
109.10175	10.3
110.06027	5.7
119.04947	27.2
119.05807	2.1
119.08562	2.6
120.04460	1.9
121.06514	11.8
122.03651	50.8
122.07291	8.6
137.02406	12.1
137.05959	96.0
137.09587	14.6
137.10699	3.8
137.13254	5.5
138.01723	1.7
138.05495	10.4
138.06383	1.5
138.09128	4.5
148.93813	1.0
151.32462	0.9
154.04910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03945	0.4
56.92376	0.2
62.54861	0.3
65.03956	1.1
66.03480	0.2
67.05524	1.1
68.44877	0.2
70.87769	0.4
73.07270	0.3
78.03449	1.3
79.04214	0.3
92.05014	12.1
93.05792	1.0
94.06579	22.2
95.06930	0.3
96.04499	3.1
98.21492	0.3
110.06054	10.3
117.93995	0.2
136.03979	0.4
138.05516	100.0
139.05878	1.8
140.28615	0.2
154.04964	0.5
159.63353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	N-Methylnicotinate
Peak:m/z	Relative Intensity
53.00112	0.2
53.00309	2.2
53.03938	0.6
55.01867	0.6
55.05502	0.3
65.03661	0.3
65.03944	3.4
67.04227	0.2
67.05510	1.2
68.05029	0.8
68.99786	0.4
69.03425	0.5
70.56635	0.5
78.03460	9.6
78.64610	0.2
79.04218	1.7
80.05025	1.5
80.34439	0.2
81.05812	0.2
82.06583	0.5
83.04987	0.4
91.05476	0.5
92.05016	1.1
92.05810	1.2
93.03412	0.9
93.05798	0.6
93.07021	1.1
94.06569	2.4
95.04433	0.3
95.04979	0.8
95.07364	0.6
96.04498	17.7
96.08171	0.2
97.04787	0.3
98.23778	0.2
98.98458	0.4
102.19425	0.2
103.05492	0.4
105.04534	0.3
106.02924	0.7
108.04491	5.1
109.05260	0.5
110.06038	2.3
110.09715	0.3
111.03178	0.7
111.04422	1.4
120.04451	0.7
120.05251	0.4
121.02883	2.3
121.03667	0.3
121.06520	3.3
123.06773	0.3
124.03969	3.5
136.03961	0.3
138.05508	100.0
138.09036	2.2
139.03912	15.6
139.05833	1.7
154.05019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	Toluate
Peak:m/z	Relative Intensity
53.03956	0.5
63.02383	0.3
65.03943	7.7
69.51440	1.8
70.61164	0.3
79.05503	1.2
81.07059	2.0
91.05483	100.0
92.05842	2.0
93.07041	1.2
98.97581	0.4
103.05443	0.8
109.06512	2.2
119.04945	32.0
120.03878	0.5
120.05239	0.7
121.05683	0.4
121.06506	6.7
137.05933	23.8
138.05444	0.4
138.06342	0.4
138.84412	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03954	1.9
55.01875	0.6
55.05522	2.0
57.04973	0.5
65.03946	1.4
67.05509	26.2
69.03426	1.4
69.07073	1.3
69.67721	2.1
73.47623	0.4
76.36366	0.4
79.05495	4.6
80.66489	0.4
81.03413	0.7
81.07065	9.0
91.05487	22.9
93.07043	3.9
94.04186	3.7
94.07826	1.6
95.04999	2.2
95.08617	5.3
103.05499	1.4
104.06244	1.1
105.04519	1.0
107.04961	23.0
107.08603	1.7
109.06512	1.4
109.10165	33.1
110.05984	0.5
110.10489	0.4
117.07044	1.5
119.04974	3.4
119.08587	14.2
120.08954	0.5
121.06512	9.1
122.03699	4.3
122.07296	100.0
123.07632	2.2
132.18588	0.5
135.08057	3.7
137.06009	9.0
137.09625	82.7
138.05466	0.7
138.09970	1.6
155.56941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.3
51.04501	1.0
53.03943	3.0
55.01862	2.3
55.05504	1.6
65.03934	4.7
65.55129	1.0
66.04733	6.4
67.05511	21.3
69.03437	2.4
69.15528	12.4
77.03906	1.7
79.05501	8.3
81.07062	12.0
81.11006	1.0
81.79469	1.1
89.91450	1.1
91.05488	38.4
93.07028	3.0
94.04195	47.3
94.04787	2.3
94.07826	1.1
95.04980	4.2
95.08593	7.1
103.05470	2.1
105.04544	1.9
107.04960	19.9
109.06539	2.7
109.10165	28.9
117.07039	1.4
119.04940	7.7
119.08578	10.1
121.06517	6.5
122.03661	63.0
122.07293	78.5
123.03992	1.2
123.07597	1.4
135.08080	3.1
137.02510	2.2
137.05986	100.0
137.09622	69.5
138.05437	1.6
138.06390	2.3
138.09990	1.2
149.97118	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	Toluate
Peak:m/z	Relative Intensity
51.84047	0.4
58.87108	0.4
65.03948	8.8
68.32494	0.3
71.39059	0.3
71.39474	0.4
71.71561	0.4
79.05508	1.1
81.07081	1.9
91.05486	100.0
92.04983	0.9
92.05833	1.3
94.06564	2.2
103.05463	0.4
109.06547	2.5
110.06049	1.4
113.95338	0.4
119.04951	33.5
120.05309	0.7
121.06514	1.1
137.05984	25.4
138.05499	10.0
138.06532	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	Toluate
Peak:m/z	Relative Intensity
52.39464	0.3
53.03952	0.4
64.21725	0.4
65.03943	8.3
65.08590	0.4
69.91953	1.9
78.13615	0.4
79.05503	1.1
80.66017	0.4
81.07069	1.9
84.44091	0.4
91.05487	100.0
92.05816	1.4
93.07043	1.4
93.77290	0.4
94.04185	0.5
103.05493	0.8
109.06530	2.3
119.04954	32.5
120.05250	0.8
121.06510	10.2
137.05956	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02370	1.0
53.03949	1.2
63.27948	0.8
65.03929	2.0
65.14424	0.8
66.04720	8.1
69.90530	4.3
70.63330	0.8
77.03927	1.4
79.05484	4.7
81.07025	1.7
81.33511	0.9
91.05498	5.1
93.03422	1.0
94.04193	56.4
95.95904	0.9
98.20842	1.0
105.03448	1.1
107.04949	2.2
109.06571	1.1
113.05405	1.0
120.15104	0.8
122.03658	75.5
123.03991	1.7
135.04433	1.3
137.05988	100.0
138.06306	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02401	0.8
51.35351	0.4
53.03955	2.4
53.89797	0.4
55.01889	1.2
55.05530	0.7
65.03942	4.4
65.75916	0.4
66.04728	7.1
67.05503	2.9
68.22608	0.4
69.03445	1.3
70.01975	1.2
70.02370	0.7
77.03950	0.8
78.51040	0.4
78.79114	0.4
79.05495	5.6
80.05015	0.6
81.03456	1.2
81.07059	6.1
91.05488	26.8
92.05835	0.5
93.03397	0.4
93.07070	1.8
94.04192	55.0
95.05006	2.9
95.06107	2.1
95.08611	1.5
96.04506	1.2
103.05464	0.6
105.03374	0.8
105.04560	1.0
107.04967	2.4
109.06519	2.4
109.07696	0.5
109.10141	0.6
110.06078	1.0
119.04154	0.5
119.04961	6.4
120.08075	0.5
121.06504	2.3
122.03656	74.7
122.07278	1.2
123.03996	1.1
128.19252	0.5
135.04443	0.9
137.02538	3.5
137.05978	100.0
137.09584	1.9
137.10719	1.2
138.01765	0.5
138.05472	2.1
138.06364	1.9
138.09152	1.0
138.10283	0.4
158.69432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02379	1.4
52.47162	1.2
53.03746	1.1
53.03953	10.6
55.01877	2.9
55.05516	13.0
55.20022	1.4
61.40771	1.4
65.03934	3.5
67.05508	28.0
68.36986	1.2
69.07072	8.8
71.31332	3.0
77.03926	2.6
79.05499	72.3
80.05016	4.0
81.07058	32.0
91.05491	39.9
93.07048	100.0
95.04985	7.7
105.04522	5.2
105.07034	10.9
107.04966	20.2
107.08604	65.6
108.04484	3.0
108.08118	1.6
108.41925	1.4
109.01117	4.2
109.06557	2.2
114.28169	1.2
115.05476	2.9
117.07040	1.7
118.06586	2.4
119.03576	3.7
119.08586	3.3
135.04442	11.6
135.05550	4.6
135.06456	2.2
135.08060	12.2
135.09180	6.6
135.11705	46.0
135.12727	2.7
136.02187	32.7
136.03867	3.4
136.06197	45.5
136.07558	7.0
136.11272	1.7
137.04601	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.27883	1.2
53.03949	8.5
54.06966	1.2
55.01848	2.0
55.05522	12.1
64.01425	1.2
65.03929	2.9
67.05510	49.9
69.07066	9.1
70.60747	3.7
77.03931	1.7
78.96872	1.4
79.05499	79.2
80.05843	1.6
81.07063	36.0
91.05484	31.9
93.07050	100.0
95.05006	8.4
105.04491	4.9
105.07029	9.1
107.04966	6.6
107.08602	58.1
108.08913	1.4
109.01144	1.4
109.06543	1.8
119.03514	2.0
133.10204	1.6
135.04456	3.5
135.05521	2.7
135.08063	8.8
135.09084	2.2
135.11703	51.6
136.02182	13.7
136.06194	22.4
136.07285	2.1
136.07626	1.9
136.11978	1.7
137.04599	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03951	9.2
55.05514	14.0
65.03922	2.2
67.05508	53.9
69.07072	9.6
70.47663	2.7
70.48011	1.1
74.46613	1.0
77.03918	1.9
77.09550	0.9
79.05496	80.1
80.05020	1.4
80.05813	1.6
81.07057	38.9
81.07529	2.2
91.05487	30.1
93.07047	100.0
94.04095	1.1
95.04980	6.3
105.04508	3.7
105.07043	5.9
106.96713	0.9
107.04948	5.3
107.08601	54.3
108.08960	1.4
109.01090	1.3
109.06535	1.9
117.07052	1.1
119.03557	3.7
119.08549	2.2
133.10121	2.0
135.04388	3.4
135.05469	1.3
135.08090	8.1
135.11694	57.6
136.02188	11.4
136.03935	1.1
136.06184	22.4
136.07263	1.7
136.07625	1.0
136.12051	2.1
137.04607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.30742	1.2
52.46093	1.2
53.03951	10.2
54.43855	1.4
55.01868	3.9
55.05517	15.3
55.08089	1.2
55.75373	1.2
65.03938	4.3
67.05180	2.2
67.05509	26.7
69.07076	7.8
71.51152	1.9
74.15863	1.3
74.29369	1.4
76.06686	1.2
77.03926	1.7
79.05499	71.7
80.05025	3.3
80.05814	1.4
81.03440	1.9
81.07063	30.1
91.05488	38.5
93.07050	100.0
94.04119	1.6
95.04964	11.3
103.10120	1.3
105.04510	5.4
105.07024	10.9
107.04955	15.8
107.08603	65.7
108.04491	1.9
108.08915	1.9
109.01107	3.5
109.06492	1.9
110.40735	1.3
112.03992	1.5
115.05497	1.9
117.07024	2.6
119.03568	5.3
119.06083	2.8
119.08607	2.7
120.89339	1.4
135.04419	9.4
135.05550	3.3
135.08070	16.5
135.09175	3.8
135.11700	57.6
135.12727	3.1
136.02176	34.4
136.03839	2.5
136.06206	36.8
136.07507	4.8
137.04593	2.8
149.86346	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03955	11.3
55.01864	5.5
55.05512	14.1
55.96208	1.2
56.43707	1.3
56.52831	1.2
61.62669	1.2
62.39127	1.4
67.05508	29.5
69.07078	8.1
71.51281	2.7
75.21011	1.1
75.98621	1.0
79.05498	83.6
80.05023	2.0
80.05843	1.2
81.07064	28.8
91.05486	36.0
93.07048	100.0
95.04970	7.1
95.88276	1.3
105.04523	7.2
105.07050	8.6
107.04957	10.6
107.08599	56.3
108.04462	2.0
109.01113	2.9
112.03960	2.4
119.03577	6.3
135.04413	5.4
135.05568	5.3
135.06480	1.7
135.08060	11.5
135.09091	1.9
135.11696	46.6
136.02161	23.9
136.03888	2.1
136.06194	52.3
136.07419	2.6
136.12093	1.7
137.04587	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
50.28574	1.1
50.81957	1.1
51.02374	1.9
52.81218	1.1
53.03948	16.8
55.01864	5.3
55.05518	15.2
65.03946	6.2
67.05180	2.0
67.05508	24.0
69.03420	1.6
69.07073	6.9
70.85107	1.5
70.85412	1.9
72.99368	1.2
76.03579	1.1
77.03930	3.9
79.05498	84.3
80.05022	2.4
81.03411	2.1
81.07058	25.7
83.20146	1.0
89.03914	1.7
91.05486	62.2
92.02596	1.8
92.06265	2.1
93.05801	3.2
93.07049	100.0
94.07342	2.8
95.04971	14.8
105.04520	7.3
105.07034	23.6
107.04963	21.9
107.08601	87.1
108.04519	1.3
108.08882	1.6
109.01108	1.9
109.06532	4.6
115.05454	4.9
117.07025	4.2
118.06557	1.3
119.03559	3.2
119.06075	5.1
119.08578	7.9
120.09406	1.4
135.04424	24.1
135.05531	6.2
135.07127	2.3
135.08080	29.6
135.09143	3.7
135.11700	49.2
136.02173	15.6
136.03960	3.0
136.06194	25.5
136.07581	4.6
137.04582	1.2
143.18719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60894	3.2
52.59359	3.7
53.03939	5.0
53.69479	2.7
55.01876	6.2
55.05496	2.9
56.96575	24.2
57.03443	35.3
58.99879	5.0
61.02932	3.4
67.05496	3.5
68.44434	2.8
69.03439	14.5
70.10154	3.9
70.10488	11.9
70.50664	4.4
70.99866	4.4
72.52968	12.9
73.02930	9.8
77.00890	4.8
77.52180	8.8
78.52962	8.1
79.02179	3.3
79.05511	6.4
79.51175	21.4
80.01213	8.1
80.51057	3.4
81.03431	4.6
81.53481	3.0
82.01440	22.1
82.99863	4.9
83.99933	2.9
84.52950	5.1
85.02921	6.3
85.53705	5.2
85.58563	2.9
86.52711	44.3
87.02773	3.5
88.02689	23.9
88.51711	53.4
89.01745	11.0
89.51582	12.1
90.52940	4.5
91.01959	4.0
91.05476	4.8
93.53486	9.7
94.54283	3.4
94.98812	12.7
95.53230	10.4
97.01407	4.0
97.02901	3.5
97.52163	3.2
98.97591	8.8
100.01851	5.4
100.02489	46.9
101.00887	54.6
101.02476	4.7
102.00944	7.0
102.02402	11.0
103.00650	4.5
103.99312	7.2
105.00424	3.8
106.06540	6.6
107.04952	5.3
107.98183	4.0
109.02918	7.1
110.48455	3.7
111.02957	25.7
111.55320	3.8
113.00874	10.5
113.53195	5.4
115.02432	7.1
116.32327	3.1
116.98721	22.1
117.48734	5.2
118.03533	16.6
119.01935	80.5
119.48959	17.6
119.97346	6.5
120.01981	22.3
120.03403	3.6
120.04230	4.2
120.48864	7.1
121.01672	14.3
122.53739	11.4
124.02466	15.1
125.99249	28.8
126.49262	6.4
126.99083	7.0
128.48547	3.6
128.49507	70.4
128.97852	8.7
128.99518	23.3
129.04028	6.4
129.49377	18.3
131.01917	29.5
131.53201	11.9
133.03490	8.3
134.02608	2.9
134.03615	9.4
134.04691	2.7
134.06010	14.9
134.09644	5.0
137.02989	15.8
137.50029	100.0
137.98363	5.7
138.00038	27.4
138.03062	3.8
138.49890	24.8
139.02631	7.2
140.00334	7.1
142.03506	64.5
143.01907	6.6
143.03625	13.5
144.03246	8.8
145.03488	7.3
147.04997	7.0
149.00798	6.8
149.02930	4.2
154.00418	2.9
154.03496	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	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.4
55.01863	2.6
55.05516	11.4
56.11710	1.3
57.98634	1.2
65.03932	2.7
67.05504	33.6
69.07070	8.8
77.03914	1.4
79.05495	71.0
80.05831	1.5
81.03394	1.6
81.07057	32.3
91.05483	32.6
93.07044	100.0
94.04066	2.7
94.07365	1.6
95.04977	7.6
98.21478	2.3
105.04514	3.8
105.07045	6.3
106.99994	1.3
107.04948	10.3
107.06091	1.4
107.08596	57.0
109.01112	1.9
115.05464	2.3
117.07026	2.2
119.03545	5.5
119.06046	1.4
119.08591	2.8
133.10094	1.6
135.04401	8.6
135.05527	5.0
135.06459	1.6
135.08047	9.8
135.09123	3.8
135.11694	53.1
136.02164	22.2
136.03891	2.5
136.05153	2.6
136.06189	44.9
136.07565	3.9
136.12097	1.4
137.04622	3.1
137.81714	1.2
147.04340	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.05507	2.1
55.52014	0.8
64.69731	0.8
67.10759	0.7
69.17903	2.5
69.18317	5.0
70.45641	0.8
79.05500	16.4
91.05482	25.8
93.07041	7.7
94.81649	0.8
95.04992	2.9
100.65630	0.9
103.05489	9.4
105.07039	81.0
106.07367	2.0
107.08587	1.9
115.05464	8.7
116.06207	1.4
117.07034	9.0
118.07816	9.8
131.08574	8.4
133.06528	6.6
133.10138	100.0
134.10478	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02378	0.4
53.03948	1.7
55.01862	0.2
55.05514	2.4
57.39227	0.2
65.03945	0.7
67.05507	0.6
70.79473	0.5
77.03931	0.6
78.04689	0.2
79.05497	9.8
91.05484	22.7
92.05781	0.4
92.06287	0.3
93.07046	5.6
93.07642	0.3
95.04967	1.5
103.05472	5.0
104.06247	0.3
105.04606	0.9
105.07035	60.1
106.07359	1.1
107.08605	2.1
115.05464	8.2
115.06287	0.4
116.06261	1.4
117.07026	9.8
118.07806	10.5
118.36587	0.2
119.08151	0.2
129.07004	1.1
131.08577	7.8
133.06490	1.2
133.10135	100.0
134.06046	0.3
134.10466	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	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03936	2.7
55.01884	0.7
55.05500	2.5
65.03947	0.9
67.05511	1.2
71.42291	1.3
77.03924	1.4
79.05078	1.0
79.05503	17.5
84.22951	0.7
84.36636	0.7
91.05486	25.8
93.07050	7.4
95.04974	2.9
103.05478	8.4
105.07040	82.2
105.66923	0.7
106.07387	1.6
106.94701	0.7
107.08588	2.1
115.05463	8.0
116.06238	1.7
117.07021	10.7
118.07034	1.0
118.07819	10.6
125.90477	0.7
129.06979	0.9
131.08588	7.8
133.06506	7.2
133.10141	100.0
134.10475	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	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02400	0.4
51.44921	0.3
53.03952	2.9
54.79548	0.4
55.01878	3.0
55.05516	2.2
65.03958	0.4
66.04726	0.4
67.05501	0.6
69.25706	0.4
70.06593	0.9
74.02416	0.7
76.54750	0.4
77.03939	1.6
79.05499	16.0
90.04710	1.2
91.05491	17.7
92.06313	0.5
93.07055	3.6
94.04194	0.4
95.04977	2.6
99.57942	0.4
103.05474	10.4
105.03402	1.5
105.04555	1.3
105.07039	100.0
106.06567	1.3
106.07373	1.7
107.04970	0.9
107.08601	0.8
108.75359	0.4
111.54832	0.4
112.02218	0.5
115.05472	7.6
116.06248	0.8
117.07021	4.9
118.04167	3.7
118.07832	5.1
123.07973	0.6
131.04950	0.5
131.08585	5.9
133.02864	2.5
133.06508	49.2
133.10141	44.2
134.06020	2.1
134.06934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.53918	0.3
51.60740	0.3
51.71658	0.3
51.94080	0.3
53.03947	2.5
53.19114	0.3
54.79715	0.3
55.05515	2.7
57.36663	0.3
65.03940	1.0
65.97044	0.3
67.05503	0.8
70.06605	0.5
71.51865	0.4
77.03943	1.1
79.05497	9.0
91.05484	27.3
92.06292	0.6
93.07047	6.8
95.04959	1.9
102.04662	0.4
103.05469	5.4
104.06288	0.4
105.03402	1.0
105.04528	1.1
105.07034	76.9
106.06609	0.4
106.07381	1.2
107.08608	1.7
111.02448	0.4
115.05460	9.0
116.06260	1.8
116.06956	0.4
117.06231	0.6
117.07020	9.8
118.07810	11.2
123.07961	0.6
129.06981	1.0
131.07602	0.5
131.08580	9.7
133.02893	0.7
133.06512	2.9
133.10133	100.0
134.06013	1.1
134.10472	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03938	2.8
55.01879	1.1
55.05507	3.0
65.03916	0.8
66.97624	0.5
67.05508	0.9
67.40519	0.6
69.40499	1.9
69.40929	2.8
77.03928	1.6
79.05500	13.2
91.05483	30.6
91.91772	0.6
92.06281	0.7
92.83520	0.5
93.07042	6.2
95.04980	1.7
103.05464	6.3
105.03439	0.7
105.04536	1.3
105.07035	84.3
106.07362	1.6
107.08604	1.7
107.41692	0.6
111.23463	0.6
114.68171	0.5
115.05454	10.1
116.06243	1.6
117.07031	11.4
118.07802	10.6
129.07031	1.1
131.08572	11.7
133.02893	0.9
133.06529	9.2
133.10135	100.0
134.06052	0.9
134.10455	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0708
Annotation	L-Baikiain
Peak:m/z	Relative Intensity
53.03945	0.9
54.43621	0.4
55.05515	46.8
56.05035	3.1
57.04560	2.3
59.04987	0.6
68.05038	0.5
69.03439	0.5
70.06593	3.2
70.19631	2.0
71.04980	1.0
72.08157	5.7
74.02444	6.3
80.05027	1.3
82.06583	100.0
82.86820	0.5
83.06110	7.8
83.06892	1.0
83.07345	0.7
84.08134	3.2
86.06067	6.5
86.74757	0.5
97.07653	0.6
100.07619	5.9
110.06017	2.7
111.05587	1.1
115.28839	0.5
118.45563	0.5
128.07094	18.9
128.08194	2.3
128.10754	1.9
128.11864	5.4
129.06604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0865
Annotation	CYCLOLEUCINE
Peak:m/z	Relative Intensity
52.67199	0.1
55.05510	0.3
55.60638	0.1
56.04758	0.1
56.05040	3.6
67.05507	0.4
69.69108	0.7
84.08146	100.0
85.08469	1.2
98.21446	0.3
112.07587	0.2
130.08646	10.8
131.08981	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88383	0.4
56.05045	4.4
57.07080	22.6
57.84661	0.5
60.05648	1.9
60.22643	0.5
67.05515	1.0
69.03434	9.0
69.07074	1.0
69.44968	0.5
72.08163	7.3
74.09726	16.0
75.10074	0.5
82.06574	0.5
84.04512	9.3
84.08149	100.0
84.92319	0.4
85.08472	1.5
96.86620	0.4
103.05472	1.5
112.07613	22.0
114.10320	0.9
114.25952	0.4
124.15785	0.5
130.06552	6.1
130.08649	14.4
130.15929	28.8
131.16249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.1293
Annotation	Agmatine
Peak:m/z	Relative Intensity
50.75909	0.4
55.02989	1.1
55.05511	1.0
58.53065	0.3
60.05652	27.8
71.49905	0.6
72.08159	100.0
73.08503	0.8
85.08506	0.4
86.06071	0.8
86.09699	0.4
88.67281	0.3
97.07663	6.6
98.06079	1.2
103.08778	0.3
107.83781	0.3
114.10300	14.6
115.08731	0.5
131.12927	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.0
55.05509	5.3
57.07080	5.6
65.03941	1.4
67.05508	17.0
69.07078	3.8
69.67686	0.8
69.68090	2.0
77.03927	0.8
78.03465	2.2
79.05495	18.3
80.05022	11.4
81.07059	100.0
82.01464	0.8
82.07404	1.1
88.90425	0.5
93.07046	2.4
94.07854	1.0
95.04974	14.1
95.08611	16.1
96.04498	11.7
98.20818	1.2
100.02488	3.2
105.03405	0.8
105.04533	1.5
105.07044	1.1
106.02960	0.6
108.05753	1.1
108.09389	0.9
112.03962	1.1
118.03557	0.8
121.10136	1.5
123.04447	6.8
123.05559	22.5
123.08061	7.6
123.09034	0.7
123.11710	21.9
124.03960	8.1
124.05909	0.5
124.07596	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06569	0.3
59.43222	0.3
60.00674	0.3
63.21986	0.3
64.08488	0.3
70.00246	0.2
70.71112	0.5
72.19836	0.3
82.01452	0.9
82.99850	7.8
83.01529	1.2
84.01208	0.3
94.91557	0.3
97.60791	0.3
100.02488	1.3
101.00889	57.0
101.02551	2.4
102.00967	0.5
111.00426	0.5
118.03515	0.3
119.01927	100.0
120.02004	2.0
121.02332	0.3
124.02466	0.9
129.03371	0.3
130.48367	0.3
137.02968	14.0
138.03033	0.3
142.03511	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
54.04273	0.5
55.21756	0.5
58.06603	0.9
59.07371	0.6
60.04976	0.5
68.05029	0.5
68.05842	0.9
69.82330	2.3
70.99862	1.9
78.03447	1.6
78.04254	1.4
78.04707	3.4
78.06340	1.4
80.05025	3.4
81.05795	0.7
82.01454	0.8
82.99846	6.6
83.01518	1.9
89.00919	0.7
96.04497	9.9
96.05243	1.1
97.05293	1.1
100.02467	1.5
101.00885	51.2
101.02547	3.1
102.00983	1.0
102.02233	0.8
106.02960	0.5
106.03669	0.8
108.45666	0.5
110.04751	0.5
112.03974	0.5
117.10271	0.8
119.01928	100.0
119.61388	0.5
120.02005	2.4
124.02489	0.9
124.03954	17.6
124.04792	9.1
124.05928	0.5
124.07548	2.4
124.08642	0.6
137.02962	15.1
142.03519	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75478	0.2
53.03944	0.4
56.02953	0.2
56.96574	0.3
58.06599	0.3
58.99865	0.3
60.58770	0.3
67.05539	0.3
68.05846	0.4
70.10749	1.2
70.11095	0.2
70.99860	0.7
73.04559	0.3
74.53033	0.3
78.03490	0.3
78.04299	0.5
78.04712	1.9
78.06332	0.9
79.05499	0.3
80.05040	0.2
82.01437	0.7
82.99845	7.6
83.01474	0.6
84.01194	0.4
92.05824	0.3
94.07383	0.5
96.04502	2.5
96.05297	0.4
98.21455	0.3
100.02493	0.8
101.00888	57.3
101.02581	1.4
102.00973	1.1
102.02264	0.3
104.05793	0.3
106.03718	0.5
106.06515	0.5
108.03262	0.3
111.00439	0.6
115.02364	0.3
117.10262	0.3
118.03530	0.3
119.01926	100.0
120.02021	2.0
121.02350	0.6
124.02466	0.9
124.03934	1.9
124.04786	4.1
124.05463	0.2
124.07619	3.1
134.01453	0.2
135.71185	0.2
137.02963	15.1
137.83168	0.3
142.03514	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01617	1.0
51.02382	2.4
53.03948	30.4
55.01864	2.9
55.05513	1.5
65.03941	10.5
67.05502	1.5
68.99788	0.9
69.46812	4.9
77.03930	9.5
79.05494	42.2
81.03416	3.2
81.07072	1.1
85.40685	0.7
91.05483	79.6
92.05795	1.0
93.07043	71.2
95.04968	30.4
101.71087	0.6
102.04678	2.0
103.05468	100.0
104.05775	2.2
105.04521	17.6
105.07031	86.2
106.04211	0.8
106.07883	4.8
107.04958	6.9
111.04440	3.1
118.06493	0.8
119.08583	11.9
121.02876	13.2
121.03995	6.8
121.06508	87.6
121.10143	45.5
121.11049	1.3
122.07384	1.0
123.08078	8.2
133.07619	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.01593	0.9
51.02384	4.0
53.03716	0.6
53.03952	9.1
55.01862	1.1
55.05502	0.5
60.35957	0.3
65.03935	1.1
67.05181	0.6
67.05513	9.2
69.56208	1.3
69.56621	1.2
73.68790	0.4
77.03938	12.6
79.05492	1.7
80.05032	4.3
81.03424	1.1
81.07066	7.5
82.01438	0.7
93.07039	0.5
95.04979	18.5
95.08620	2.3
96.04487	2.7
100.02473	1.2
105.03403	14.1
105.04490	4.4
105.07001	0.4
108.05746	0.7
123.04442	100.0
123.05516	8.3
123.08040	3.5
123.11712	1.7
124.03941	2.3
124.04817	1.4
129.52977	0.4
134.93631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0808
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02372	0.9
52.63249	0.7
52.93605	0.7
53.03946	8.2
55.01868	2.4
55.05514	20.5
55.27411	0.8
57.07062	2.2
64.23769	0.8
65.03953	5.0
67.05510	83.6
68.05827	1.3
69.03411	0.9
69.07072	1.1
70.63695	1.9
70.64030	1.1
72.42842	1.0
77.03925	2.9
78.03453	2.2
79.05500	13.5
80.05025	12.7
80.06287	1.6
81.03427	7.3
81.07061	37.5
82.01439	1.6
91.05485	3.4
93.07050	17.8
95.04976	69.8
95.08614	57.5
96.04501	10.6
99.77780	0.7
100.02480	3.8
103.05499	2.2
105.03393	1.6
105.04523	3.5
105.07043	3.2
106.02906	1.0
107.04964	1.4
108.05741	6.3
112.03952	1.0
118.03537	1.3
121.06425	0.8
123.04443	15.7
123.05562	27.5
123.08076	100.0
123.11670	6.9
124.03960	9.1
124.08421	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0808
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03949	6.1
55.05519	20.5
57.04405	1.1
62.08530	1.1
65.03925	4.3
67.05511	87.9
71.43008	2.0
77.03951	1.6
79.05062	1.0
79.05511	6.4
80.05029	5.6
81.03425	5.5
81.07069	15.4
91.05484	6.0
93.07046	16.8
95.04979	49.4
95.08616	57.9
96.04510	4.1
105.04503	1.6
105.07018	3.0
106.75372	1.1
107.04945	2.5
108.05748	4.1
123.04441	5.2
123.05562	9.1
123.08079	100.0
123.11741	1.5
124.03973	4.2
124.08440	1.3
134.53793	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04490	2.6
51.02393	2.9
53.48214	3.0
54.01778	3.5
61.78806	2.9
67.05484	8.6
68.24306	2.8
69.03436	15.2
71.31993	4.5
82.01457	18.4
82.61945	2.8
82.99828	8.4
83.01503	3.8
87.93975	2.8
88.81942	3.0
91.05484	8.9
100.02497	18.3
101.00282	4.6
101.00888	59.0
103.02440	8.9
107.05247	10.7
116.05762	7.5
118.03509	6.1
118.79860	3.0
119.01921	100.0
121.03531	3.3
129.03989	6.7
137.02974	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03951	3.0
55.69028	0.6
65.03939	5.1
70.75486	1.5
70.75842	0.7
78.04715	1.4
79.05492	6.8
91.05485	100.0
92.05006	0.7
92.05829	1.2
93.07056	5.6
95.04990	3.0
96.04515	1.6
96.05211	0.7
97.21128	0.7
103.05468	12.1
104.06258	10.0
105.04505	1.6
109.06493	0.9
115.05461	6.0
117.07022	25.3
119.04965	3.3
119.06077	1.8
119.08585	84.0
120.04443	0.7
120.08924	1.2
131.06047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.6
51.02374	3.7
53.03949	30.5
55.01875	4.3
55.26386	0.6
65.03941	1.7
70.90013	1.3
77.03929	11.6
78.04710	0.8
81.03405	3.0
91.05484	73.9
91.50854	0.5
92.05812	1.2
93.07046	59.3
94.04179	1.1
95.04974	25.9
102.04707	2.2
103.05469	100.0
105.04520	15.8
121.06509	92.1
122.06852	0.7
139.20351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01598	1.1
51.02383	2.2
53.03951	19.6
55.01880	3.2
55.02125	0.4
65.03944	1.9
68.99786	0.3
69.49746	0.9
69.50148	0.4
73.11089	0.2
77.03933	10.1
78.04721	0.8
79.05501	0.8
81.03426	3.4
91.05487	72.4
92.05838	0.6
93.07048	64.7
94.04184	0.6
94.07369	0.4
95.04974	27.7
102.04711	1.8
103.05474	100.0
104.05799	1.1
105.04522	15.6
119.04929	0.5
121.06510	96.6
122.06820	0.7
126.60933	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02377	4.1
53.03947	30.9
55.01872	3.1
65.03936	2.0
71.43953	0.8
77.03925	9.5
79.05498	1.4
81.03423	2.7
91.05484	74.1
92.05823	1.0
93.07046	58.0
94.04142	0.6
94.07370	0.6
95.04967	28.3
96.71073	0.6
102.04694	2.8
103.05468	100.0
104.05801	1.4
105.04517	16.5
105.05222	0.9
115.33715	0.7
121.06505	88.0
122.06773	1.1
125.37972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05053	0.1
56.14179	0.1
56.96571	0.1
67.16057	0.1
68.05030	0.5
69.34315	0.6
69.34740	0.4
70.06596	100.0
71.06930	0.5
74.93818	0.6
92.94860	0.1
98.06092	0.2
98.97609	0.2
116.07099	8.9
117.29395	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05032	0.4
70.06597	100.0
70.77074	0.2
71.00037	0.1
71.06928	0.8
72.72170	0.1
82.20488	0.1
105.64114	0.1
116.07101	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	116.071
Annotation	L-Proline
Peak:m/z	Relative Intensity
66.05772	0.1
68.05011	0.3
70.06598	100.0
70.88150	0.3
71.06939	0.8
74.02454	0.1
74.25637	0.1
78.38960	0.1
116.07101	9.1
116.29601	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83735	0.2
65.58710	0.1
68.05035	0.3
70.06598	100.0
71.06923	0.4
71.25204	0.4
76.83679	0.1
88.75501	0.1
109.02957	0.1
110.58927	0.1
116.07104	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01601	2.5
51.02377	6.7
53.03951	70.9
55.01867	4.3
59.33595	1.8
65.03932	4.9
70.06593	5.4
70.44655	4.0
71.04991	1.8
72.08194	1.9
72.44321	1.6
77.03928	16.0
81.03419	6.6
87.02462	2.5
91.05487	24.3
95.04975	60.0
100.07568	2.8
105.04528	36.0
113.54540	1.7
113.88214	1.6
118.06551	100.0
118.08624	4.2
119.04939	4.1
122.82749	1.8
136.37074	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.1
53.03954	7.2
54.46604	0.9
58.06585	1.2
59.77966	0.9
69.90749	4.3
70.06594	3.1
71.04992	2.3
72.08159	1.6
76.93387	7.5
77.03940	1.8
83.09517	0.8
83.54472	1.0
85.96209	0.9
91.05492	36.9
94.94388	1.6
95.04983	5.4
96.66050	0.9
98.21394	1.5
100.07615	0.9
105.04531	3.6
117.05774	5.7
117.96006	1.2
118.06556	100.0
119.06908	1.8
128.17744	1.0
136.61116	1.1
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
51.87281	0.8
53.03940	0.9
55.46859	0.8
56.24546	0.8
65.03965	1.1
70.27985	2.7
70.28349	1.4
71.05006	1.3
72.08155	1.4
76.93369	2.9
91.05487	38.8
92.05827	1.0
100.07608	1.1
104.57595	0.8
109.47157	0.7
117.05773	6.8
118.06552	100.0
119.06878	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02391	1.1
53.00328	0.6
53.03950	20.5
55.01877	1.1
55.05512	10.2
65.03950	6.4
67.05506	100.0
68.05830	1.0
69.07076	5.3
71.51846	0.8
79.05492	14.3
80.05017	1.4
80.06320	1.2
80.09438	0.5
81.03420	33.8
81.07057	35.4
82.06579	2.5
82.07392	0.6
87.00469	1.7
91.05491	3.0
92.04986	0.6
92.05834	0.6
94.04181	1.5
94.07829	1.3
107.04930	0.7
107.08576	3.0
109.02898	6.9
109.04794	0.7
109.05763	1.0
109.06522	9.5
109.07675	5.9
109.08482	1.7
109.10156	32.8
110.02413	0.5
110.06051	11.4
110.09702	0.5
110.10449	0.6
113.70509	0.5
113.96379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0717
Annotation	Brunfelsamidine
Peak:m/z	Relative Intensity
56.05037	22.9
56.96571	2.8
70.56361	3.2
81.04541	8.8
82.05328	7.3
83.06109	100.0
85.85397	1.6
91.86562	1.6
93.04539	64.9
100.02466	2.8
110.06080	8.1
110.07176	84.1
111.05561	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	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
53.65410	0.7
53.99866	1.1
54.03490	1.7
55.01877	2.4
55.05514	36.2
56.05042	4.7
57.07061	1.9
58.06599	2.7
61.64122	0.8
65.03941	1.2
67.05504	2.4
68.05029	7.8
69.04553	3.5
69.05376	1.3
69.07070	100.0
70.02956	1.8
70.04082	1.7
70.04892	1.9
70.06593	64.5
71.06116	2.2
71.07380	1.7
74.57176	0.7
80.05036	0.6
82.05328	1.4
82.06577	1.2
83.05022	3.5
83.06105	10.3
83.06905	1.2
84.08150	4.5
85.07679	2.7
88.00494	10.0
91.05491	1.0
93.04546	1.1
93.07028	1.5
94.06564	5.6
95.06094	3.0
96.05636	4.4
96.06878	3.6
97.01006	4.9
98.20714	1.7
99.51282	1.8
110.07169	13.4
111.01995	0.9
111.04447	7.6
111.05622	12.8
111.06348	2.9
111.06815	2.0
111.07417	11.5
111.08000	3.0
111.09205	96.7
112.03970	2.3
112.05064	1.4
112.07579	1.7
112.08745	18.4
112.11243	0.9
115.96444	4.1
116.97276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
55.02999	7.5
55.05517	30.2
56.05038	2.2
57.03447	0.7
57.71836	0.5
60.05656	11.3
61.93200	0.5
68.05021	2.0
69.63471	2.8
70.06596	0.8
70.40936	0.6
70.85269	0.5
72.05648	21.9
72.08163	60.5
73.06423	0.9
80.05025	1.3
81.03397	0.6
85.07658	0.7
97.07665	38.1
98.06093	1.1
98.20805	1.1
114.10303	100.0
114.89322	1.6
129.53233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0288
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
51.02377	2.0
53.03951	47.9
55.01869	1.9
55.49286	0.5
56.96584	0.9
58.36365	0.4
65.03941	2.0
67.05509	1.8
69.80418	2.5
69.80720	0.5
75.47131	0.4
79.05495	6.4
81.03423	100.0
81.07062	6.9
82.03765	0.7
83.06102	1.1
91.05488	5.4
93.04520	0.8
94.04191	6.5
95.04999	0.5
98.21473	0.7
100.02490	0.6
105.04495	0.8
107.04960	1.9
109.02886	9.7
109.06527	10.2
109.07692	1.2
110.06061	3.0
110.07179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	o-Cresol
Peak:m/z	Relative Intensity
50.46080	0.5
51.02375	1.6
53.03951	24.8
55.01882	3.8
55.05520	4.6
55.85807	0.5
65.03951	5.1
66.04718	0.6
66.39432	0.5
67.05512	40.9
69.03459	0.6
69.07076	2.4
71.50681	0.7
79.05499	24.8
80.06271	0.5
81.03427	42.8
81.07063	30.4
82.03765	0.5
82.06589	1.1
86.00677	0.7
91.05490	11.3
92.05845	0.5
94.04199	7.5
94.07819	0.7
95.04965	1.1
101.44205	0.4
105.07006	0.5
107.04955	3.2
107.08590	1.2
109.02887	9.3
109.06526	100.0
109.07709	3.0
109.10166	17.4
110.06057	4.3
110.06803	0.9
111.04438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	o-Cresol
Peak:m/z	Relative Intensity
50.01583	0.6
51.02383	2.0
51.18713	0.5
53.00320	0.7
53.03952	33.4
53.32392	0.5
53.56867	0.5
54.04288	0.5
55.01878	8.0
55.05517	8.4
55.38614	0.5
65.03944	6.9
66.04729	1.8
67.05510	77.4
67.93592	0.6
68.05043	0.6
69.03435	0.6
69.07083	4.7
70.79236	1.4
79.05499	51.5
80.05027	0.9
80.06274	0.9
81.03425	57.9
81.07062	61.5
82.06585	2.6
82.07376	0.5
87.00481	1.9
91.05487	14.6
92.05873	0.8
94.04183	6.8
94.06129	0.6
94.07810	0.6
95.04971	1.3
96.91653	0.6
98.80312	0.6
105.04531	0.8
107.04952	2.2
107.08618	3.3
109.02892	12.2
109.06526	100.0
109.07594	6.6
109.10162	30.1
110.06059	11.9
110.06803	1.2
113.96450	0.7
114.17226	0.6
119.14370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02381	0.8
53.03952	10.5
55.01877	2.0
62.99082	0.3
65.03936	1.2
67.05479	0.2
70.62747	0.6
77.03941	3.6
79.05502	14.5
81.03430	1.6
82.60795	0.3
91.05492	7.3
95.04978	9.3
105.04525	5.9
105.07047	1.7
106.13297	0.2
107.04964	100.0
107.08601	1.9
108.05309	0.8
109.06531	0.5
109.75760	0.2
109.89452	0.3
119.06084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01598	0.6
51.02386	1.7
53.03712	0.7
53.03953	11.0
55.01875	2.3
60.64853	0.5
62.99076	0.7
65.03946	15.5
67.05520	3.3
69.46454	1.6
69.46880	1.6
77.03942	3.4
78.79859	0.4
79.05500	34.6
81.03432	1.2
82.60884	0.4
83.39450	0.4
88.92754	0.5
91.05489	98.7
92.05788	0.7
92.06268	1.6
95.04982	12.2
103.05454	1.2
104.62090	0.5
105.04530	6.0
105.07042	27.4
106.04189	0.9
107.04965	100.0
107.08603	27.5
107.24384	0.4
108.05309	0.9
108.08099	0.5
109.06526	8.5
119.06076	8.8
124.05215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.8
51.02381	1.6
53.03954	11.1
55.01879	2.6
62.99078	0.7
64.16156	0.5
65.03612	1.0
65.03947	17.8
67.05513	4.4
71.50985	0.4
71.90476	0.5
77.03931	3.6
79.05498	39.2
80.05019	0.9
80.05811	0.7
81.03406	1.5
91.05487	99.0
92.05844	0.9
92.06280	3.9
95.04973	12.2
97.18642	0.5
105.04528	6.4
105.07037	27.1
106.04148	0.5
107.04963	100.0
107.08598	27.9
107.09675	0.7
108.04467	0.8
108.05217	0.9
108.08104	1.4
109.06522	8.5
119.06078	10.0
124.05140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03939	0.8
79.01848	0.4
79.05502	0.6
81.03421	5.4
83.04988	1.0
91.05479	1.8
93.03418	0.7
94.49441	0.4
95.01360	0.6
95.04980	2.5
97.02884	0.5
99.04453	0.6
101.17801	0.4
105.03400	1.8
107.04964	1.0
109.02886	9.8
111.00812	10.5
111.04441	2.1
115.05458	1.1
117.07063	0.4
119.04945	1.6
121.02894	3.4
121.06509	0.4
123.04436	18.9
123.05341	0.9
125.02394	0.4
127.03925	57.9
128.06241	0.5
129.06949	0.4
131.04935	1.2
133.02852	6.0
135.04410	3.5
137.02316	1.7
137.03293	0.5
137.05952	0.5
139.03909	100.0
140.04204	1.0
145.06483	1.5
147.04398	7.2
149.02353	5.6
149.05974	1.0
150.03116	1.5
151.03912	59.6
152.04314	1.0
153.01834	7.6
153.02963	0.8
153.05489	1.8
155.03397	16.5
155.04715	1.1
155.06042	0.6
157.02885	0.6
157.06509	1.6
159.04395	1.5
161.02361	1.2
161.05966	2.7
163.03925	12.3
165.01805	0.9
165.05484	2.8
167.03459	2.7
167.04680	0.7
169.04991	1.2
169.06467	1.0
171.04424	3.5
173.05978	1.5
175.03917	11.8
176.04613	0.5
177.01851	1.7
177.05475	6.4
179.03403	47.1
180.03728	0.5
181.04962	2.0
183.04405	1.3
185.05948	2.1
187.03928	1.8
189.05469	5.3
191.03412	7.3
191.07008	0.6
193.04959	3.5
197.05951	1.0
199.03922	7.2
201.05467	4.4
203.03407	21.6
204.03720	0.6
205.01283	0.9
205.04961	5.6
211.03941	1.4
213.05472	7.7
215.03391	1.6
217.04973	8.5
219.02924	0.8
219.06506	1.7
221.04413	1.3
223.02359	3.8
223.04254	0.8
225.05437	1.3
227.03427	3.0
229.04974	7.0
230.05745	0.5
231.02971	0.9
231.06551	3.9
233.04433	3.7
235.02263	0.5
235.05913	0.7
237.05608	1.2
239.03467	0.9
241.04955	5.7
243.02925	0.5
243.06598	0.7
245.04471	69.0
246.04796	1.4
247.02254	0.5
247.05994	2.3
251.05484	0.6
253.05003	2.4
255.02966	0.7
255.06540	0.9
257.04459	15.1
258.05099	1.5
259.06030	5.4
263.05515	48.7
264.05817	1.4
265.04941	0.8
267.06635	0.4
269.04483	8.1
271.03186	0.7
271.06015	4.0
273.04056	0.6
275.05502	17.6
277.04443	0.6
277.07117	8.2
279.06516	0.8
281.04480	2.6
283.06033	1.4
285.03995	0.6
287.05518	60.2
288.05841	1.3
289.07068	7.4
293.04388	1.1
295.06058	2.1
297.04050	3.5
297.07272	0.6
299.05502	15.0
301.07135	1.8
303.06415	0.7
305.06580	31.6
307.06030	1.3
309.03909	1.8
311.05579	2.3
313.07007	0.8
317.06589	22.7
318.07001	0.6
319.05984	0.8
321.03925	1.3
321.07599	1.5
323.05569	3.2
325.06921	0.6
327.05051	0.7
329.06552	1.0
331.05606	0.7
333.07281	0.7
337.07275	0.6
339.04965	1.7
341.06592	1.2
347.07806	0.5
349.06924	1.8
351.04990	2.5
352.56161	0.5
359.05542	0.6
361.07031	0.7
363.04639	1.0
365.06607	1.1
377.06613	1.5
381.06323	2.1
387.05203	0.8
389.06558	1.0
393.06134	3.5
395.07675	3.4
399.07245	2.5
405.06036	5.2
407.07608	6.6
411.07147	1.4
413.08694	2.9
417.05792	0.9
419.07468	1.2
423.07166	11.0
425.08679	23.1
426.08914	1.0
435.06961	2.6
437.08826	2.7
441.08231	12.1
443.09760	23.5
444.10065	0.7
447.07349	0.9
449.08670	2.4
453.08151	2.3
455.09680	2.4
459.09152	3.9
465.08115	3.3
467.09689	3.8
483.08905	1.1
525.08344	1.1
543.09210	2.6
549.10358	2.5
561.10144	2.3
567.11169	4.7
573.09814	1.5
575.11603	1.6
577.09515	1.7
585.09741	1.5
591.11652	1.1
593.13074	2.3
595.10938	5.3
603.11169	1.6
609.12720	0.9
693.12036	0.9
711.13019	1.7
713.11237	1.8
729.14276	3.1
763.14697	0.7
773.12671	0.8
881.14087	1.6
899.16943	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	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	0.6
51.02382	2.0
53.03951	13.5
55.01879	0.7
65.75061	0.3
71.05417	0.5
71.05743	0.3
77.03932	6.1
79.05499	57.1
80.05836	0.5
81.03416	1.5
95.04980	14.4
103.05476	41.5
104.05818	0.3
105.04535	7.9
105.07038	100.0
106.07362	1.1
110.78013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02372	2.7
53.03951	19.2
53.65909	0.7
54.41066	0.8
55.01863	1.1
58.74110	0.7
65.03927	0.9
69.54759	5.1
75.62419	0.8
77.03913	4.9
79.05496	56.8
81.03402	1.3
83.75841	0.7
90.85554	0.7
95.04971	16.1
98.20731	1.4
103.05473	33.4
105.03393	2.6
105.04525	10.2
105.07035	100.0
105.11069	1.9
106.07378	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03913	0.9
81.03412	5.5
83.01326	0.5
83.04973	1.0
87.00837	0.5
89.03910	0.7
91.05493	1.6
93.03426	0.9
95.04979	1.9
99.04458	0.8
103.05492	0.7
105.03412	2.7
105.99580	0.5
107.04962	1.0
109.02875	7.5
111.00809	12.4
111.04443	1.7
115.05421	1.1
117.06980	0.6
119.04954	1.8
121.02859	2.1
123.04433	18.0
125.02368	0.9
127.03918	70.7
128.04308	0.6
128.06215	0.5
129.07057	0.8
131.04956	1.6
133.02847	7.7
133.06503	0.9
135.04422	3.1
137.02335	1.3
139.03903	100.0
140.04254	1.1
145.02847	1.2
145.06544	0.7
147.04413	8.2
149.02357	3.3
149.05992	1.9
150.03226	1.3
151.03906	46.7
152.04301	0.7
153.01834	12.5
153.02866	0.5
153.05461	1.9
154.02119	0.5
155.03392	8.5
155.40436	0.5
157.02861	0.7
157.06479	1.2
159.04396	2.7
161.02333	1.5
161.06003	2.9
163.03909	11.5
165.01874	0.8
165.05519	2.1
167.03441	2.4
167.04816	0.6
169.04982	1.6
169.06421	0.7
171.04413	5.1
173.06026	1.8
175.03905	13.9
177.01871	2.3
177.05478	7.7
179.03400	59.1
180.03737	1.0
181.05005	2.3
181.06406	0.7
183.04379	1.8
185.05913	3.1
187.03935	2.1
189.01871	1.0
189.05464	5.4
191.03384	7.1
193.05032	3.3
197.05983	1.5
199.03917	7.1
200.04448	0.7
201.05470	5.5
203.03392	23.3
203.07086	0.9
205.01292	1.0
205.04982	5.5
211.03926	1.7
213.05496	7.7
215.03418	1.6
215.47165	0.6
217.04967	9.5
218.05380	0.5
219.02965	1.1
219.06538	1.8
221.04356	0.9
223.02316	2.9
225.05470	1.2
227.03404	2.3
227.06975	0.7
228.04407	0.6
229.04994	5.8
231.02922	1.3
231.06522	3.4
233.04460	3.6
235.05971	0.7
237.05551	0.9
239.03288	1.1
241.04935	5.5
242.05539	0.5
243.02910	0.7
243.06638	1.2
245.04465	43.2
247.06039	1.4
249.03891	0.8
253.04997	1.9
255.02879	0.6
255.06511	0.9
256.39578	0.5
257.04465	17.9
258.05222	1.9
259.06094	4.5
263.05505	59.3
264.05832	1.3
265.05063	0.7
267.06479	0.9
269.04456	10.3
270.05099	0.9
271.05988	4.2
273.03952	1.6
275.05472	14.3
277.07190	3.4
279.06476	0.6
281.04462	3.6
283.06046	2.1
285.03900	1.7
287.05499	71.4
288.05875	2.8
289.03909	0.6
289.07074	9.7
293.04431	0.7
295.06058	2.6
297.03903	4.2
297.07504	1.4
299.05496	18.3
300.06131	0.7
301.07056	2.3
305.06573	26.3
306.06842	0.6
307.05798	1.0
309.03860	2.2
309.07135	0.6
311.05441	3.6
313.07175	1.0
317.06564	25.2
318.06885	0.7
319.05731	0.9
321.03873	1.5
321.07547	2.0
323.05435	4.0
327.05057	1.1
329.06555	1.8
331.08511	0.7
333.07571	0.8
335.05508	1.2
337.07089	0.9
339.05023	1.9
339.08621	0.7
341.06616	0.9
345.07385	0.7
347.07581	0.9
349.07013	1.6
351.05011	3.0
351.08813	0.8
359.05374	0.8
361.07352	1.1
363.05011	1.7
365.06592	1.1
375.05106	0.8
377.06589	1.7
379.08096	0.7
381.05914	2.9
382.05737	0.5
387.05002	0.7
389.06653	1.3
393.06073	4.8
395.07672	4.7
399.07086	3.2
405.05972	6.7
407.07556	9.2
411.07227	3.5
413.08661	5.0
417.06158	1.6
419.07840	0.9
423.07126	14.1
424.07205	0.9
425.08667	26.1
426.08813	0.8
431.09015	0.7
435.07156	4.7
437.08722	2.8
441.08194	13.1
442.08429	0.8
443.03476	1.0
443.09717	18.4
444.10196	1.1
447.07138	1.9
449.08813	2.9
453.08044	1.8
455.09784	2.3
459.09171	5.9
465.08136	4.0
467.09830	4.0
483.09061	1.5
485.10413	0.8
525.08167	1.6
537.07776	0.6
540.33966	0.6
543.09290	3.5
549.10223	9.3
555.09467	1.3
561.10309	3.2
567.11243	3.3
573.10297	2.9
575.11707	1.8
577.09607	1.7
579.11206	0.7
585.10266	3.3
591.11182	0.9
593.12958	3.8
595.10712	6.1
603.11456	4.4
693.12476	2.4
711.13397	4.8
713.12274	2.5
729.13977	1.8
755.10370	0.6
763.15015	1.1
773.12970	1.7
881.15631	3.4
899.16656	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06317	0.3
58.06608	5.6
59.07392	1.6
60.08171	53.1
69.03472	0.2
69.37846	1.3
98.20721	0.3
104.10755	100.0
105.11099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01620	1.1
51.02370	2.3
52.83684	0.7
53.03950	15.9
55.01872	1.0
65.03933	3.2
70.89128	1.7
77.03922	3.6
79.05498	52.0
81.03415	1.3
95.04976	16.4
96.04490	2.3
103.05476	34.7
105.03417	1.4
105.04530	8.7
105.07035	100.0
105.11106	1.8
106.06548	1.2
106.07355	1.1
119.50170	0.7
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
50.01592	0.4
51.02173	0.3
51.02365	1.8
53.03950	14.5
55.01867	0.6
55.25705	0.4
71.11829	0.7
74.18946	0.4
77.03933	5.2
79.05495	54.8
79.83869	0.4
79.88974	0.3
80.05849	0.4
81.03413	1.4
95.04969	12.2
95.05576	0.8
103.05470	39.3
104.05788	0.4
105.04530	7.3
105.07033	100.0
106.07380	0.9
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
51.02374	2.1
53.03715	1.0
53.03951	15.2
54.69425	0.6
55.01882	1.2
65.03947	1.3
65.70391	0.7
68.02271	0.5
70.81851	1.6
77.03925	3.6
79.05496	50.1
81.03420	1.9
83.04771	0.5
92.12420	0.6
95.04977	14.8
96.04498	1.0
102.04633	0.6
102.71663	0.6
103.05474	36.2
105.03455	0.9
105.04533	10.3
105.07037	100.0
105.11091	1.2
106.06599	1.0
106.07342	1.4
110.77118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5895
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02882	2.1
77.03925	2.0
79.05492	80.5
79.86256	1.4
81.03408	21.6
81.07055	100.0
83.04983	17.0
83.08615	16.9
85.02911	12.5
85.06520	7.6
91.03949	1.9
91.05479	81.9
93.07043	73.2
95.04969	24.7
95.08604	40.9
97.02888	10.3
97.06528	23.9
97.10165	12.2
99.08099	4.0
101.06059	1.8
103.05484	2.9
105.04523	2.8
105.07032	55.7
107.04952	16.6
107.08587	43.8
109.02878	5.4
109.06513	8.5
109.09464	2.7
109.10150	31.8
111.08113	7.2
114.15553	1.3
115.03892	1.6
115.05455	5.5
117.07016	26.1
119.04957	1.4
119.08578	42.7
121.06509	9.2
121.10144	22.7
123.08038	8.2
123.11703	4.7
125.09643	10.5
127.03891	6.8
128.06227	3.4
129.05492	2.8
129.06978	12.2
130.07773	2.4
131.08572	25.2
133.06500	3.3
133.10127	33.5
135.08064	10.0
135.11691	21.2
137.05980	2.7
137.09619	10.9
137.13205	1.3
139.03889	3.7
139.11198	2.6
141.07004	4.0
142.07777	3.5
143.08537	9.4
145.06480	3.0
145.10123	23.3
147.08058	3.8
147.11682	16.7
149.09628	21.8
149.13286	11.3
151.11162	4.1
153.07100	1.6
153.09050	2.0
155.08534	5.0
155.10641	2.5
157.08958	1.8
157.10106	9.8
159.08051	2.0
159.11681	23.1
161.09619	4.2
161.13225	7.5
163.11131	13.2
165.12743	3.2
169.10100	4.3
171.11676	6.2
173.04462	4.0
173.09610	2.1
173.11739	6.7
173.13272	7.5
175.11150	4.1
175.14848	1.5
177.12741	6.1
179.10655	1.3
179.14322	4.9
181.10097	1.9
181.12204	2.0
183.11649	4.7
185.13306	1.8
187.11276	2.6
189.11194	7.5
189.12733	3.9
193.12283	2.5
195.11977	1.4
195.13795	6.5
197.13268	1.9
199.13170	1.6
199.14896	3.1
213.16484	2.0
227.12772	8.5
229.14278	12.2
229.19562	2.8
239.17976	3.1
243.15962	5.0
247.20576	3.0
251.16504	2.0
253.14391	2.7
253.17949	2.9
255.15881	14.9
257.19092	12.3
267.15909	6.3
269.17474	25.7
273.18491	5.4
275.20087	43.1
285.16870	2.1
291.19559	9.7
293.21002	1.5
299.23862	1.6
308.09082	1.8
313.21744	1.7
331.22708	2.5
349.23737	38.1
365.23239	6.4
367.24710	4.5
383.24075	1.7
405.25665	1.7
409.25851	5.5
423.27429	12.8
431.27945	2.5
445.29327	2.0
447.30911	2.8
449.29117	5.7
463.45529	1.7
503.33426	4.8
527.37103	3.1
529.28058	1.6
529.34845	9.1
541.35345	1.8
543.36835	23.3
559.36316	2.9
623.42413	8.3
641.43573	3.0
1034.58643	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5899
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02915	3.4
77.03924	1.6
79.05497	90.0
81.03421	24.6
81.07062	100.0
83.04981	17.8
83.08624	23.6
85.02909	15.2
85.06551	4.1
86.09722	2.1
91.03944	4.2
91.05486	95.6
93.07050	84.5
94.07349	1.6
94.62926	1.3
95.04978	26.0
95.08612	65.2
97.02893	12.4
97.06544	31.8
97.10169	21.7
99.04459	3.3
99.08110	5.5
103.05486	3.5
105.04530	4.8
105.07037	76.1
107.04972	22.7
107.08602	55.8
109.02876	4.4
109.06522	10.4
109.10167	46.3
111.04453	2.3
111.08090	9.8
113.06039	1.5
113.09695	3.0
115.05470	4.4
117.07018	29.7
119.04948	2.4
119.06090	1.9
119.08590	51.7
121.06535	11.9
121.10149	26.9
123.04440	2.0
123.08085	11.4
123.11712	5.6
125.09631	20.2
127.03922	7.7
127.07545	1.4
128.06194	4.7
128.86731	1.6
129.05492	2.6
129.07002	15.1
130.07809	3.4
131.08585	38.1
133.06491	5.1
133.10139	43.5
135.08069	9.9
135.11697	20.2
137.06004	1.8
137.09634	14.0
139.03868	3.3
139.07532	1.7
139.11195	2.7
141.06995	6.6
142.07805	3.2
143.08553	12.0
145.04961	3.1
145.06534	3.5
145.10127	33.3
147.08041	4.7
147.11694	22.5
147.12791	1.6
149.09639	39.4
149.13243	12.5
151.11211	7.4
153.01834	1.7
153.09122	2.7
155.08580	8.2
155.10670	3.3
157.10127	13.9
159.08087	1.8
159.11708	24.2
161.09654	7.4
161.13235	10.4
162.07776	1.7
163.11195	21.5
165.09192	3.1
165.12750	1.8
167.08517	1.5
167.10748	2.6
168.09393	1.7
169.10150	5.3
171.10233	2.9
171.11703	8.0
173.04515	3.2
173.09575	2.6
173.11763	10.7
173.13301	9.8
175.11136	6.5
177.12770	7.6
179.08571	1.7
179.14278	7.0
181.10103	4.0
181.12209	2.6
183.11716	8.9
185.13269	5.2
187.11183	4.0
187.13275	2.0
187.14857	2.5
189.11276	12.8
189.12778	2.4
193.12221	2.0
195.11757	3.2
195.13799	5.7
197.13240	6.6
199.14850	3.1
201.12747	3.0
203.14342	1.4
207.13809	1.9
209.13393	2.2
209.15323	1.6
211.13184	2.4
213.16454	2.5
217.15936	1.9
221.13348	1.5
223.13182	3.4
227.12756	17.3
227.14590	1.6
227.17940	1.5
229.14339	16.6
229.19485	3.4
233.15031	1.8
235.17078	1.4
239.17989	6.2
243.15909	2.5
245.13797	3.3
245.19023	1.8
247.16818	2.7
247.20584	4.9
253.14304	1.9
253.17970	4.2
255.15800	6.4
257.19000	17.3
259.20715	2.1
267.15985	2.4
269.17508	16.4
273.18576	8.4
275.20081	71.0
276.20480	1.9
279.15909	1.7
287.20020	1.6
291.19598	11.5
293.21112	7.6
313.21793	2.6
321.24454	2.1
331.22736	5.4
339.22913	1.4
349.23752	63.1
365.23462	6.4
367.24985	3.9
383.24280	2.7
407.27881	1.6
409.25977	5.3
423.27466	12.7
431.28012	2.3
445.29532	1.6
503.33725	15.6
511.34256	1.9
519.33215	2.3
525.35913	2.5
527.37378	2.5
529.35449	7.2
543.29199	2.8
543.36713	23.0
559.36407	2.7
561.38544	1.7
623.43024	22.1
641.43677	5.4
693.05457	1.7
872.52917	2.3
951.87561	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5898
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02922	4.9
77.03942	2.0
78.04719	1.1
79.05498	78.8
81.03429	18.0
81.07060	83.0
82.07392	1.3
83.04992	14.1
83.08620	16.1
84.04498	1.5
85.02908	18.4
85.06531	5.8
86.09725	2.7
91.03960	4.8
91.05485	100.0
92.05809	1.4
93.07047	76.4
94.04185	1.5
95.04971	18.4
95.08611	54.3
96.04511	1.3
96.08943	1.3
97.02895	15.5
97.06538	19.4
97.10167	12.3
98.21526	2.6
99.04460	2.6
99.08109	4.6
103.05492	5.2
105.04519	3.3
105.07040	69.5
107.04967	13.1
107.08598	41.9
109.02859	4.0
109.06519	7.8
109.10159	31.8
111.04452	3.7
111.08074	6.9
113.06039	1.5
113.09667	1.4
115.03932	1.3
115.05453	6.1
116.06276	2.6
116.07097	1.8
117.07027	27.8
119.04943	1.8
119.08591	48.1
120.05659	1.4
121.06507	8.3
121.10150	26.9
123.04501	1.7
123.08065	7.1
123.11702	4.3
125.09629	11.0
127.03952	6.9
127.07565	1.2
128.06236	7.4
129.05501	4.9
129.07013	20.6
130.07809	2.7
131.08580	38.8
133.06500	4.7
133.09125	2.4
133.10135	38.6
134.10519	1.5
135.08093	7.1
135.11699	14.7
137.09621	9.1
138.85518	1.1
139.03955	1.6
139.07597	1.8
139.11206	3.3
141.06966	7.4
142.07780	5.0
143.08565	18.2
144.09363	2.3
145.04999	2.4
145.06493	3.0
145.10129	30.3
147.04390	1.1
147.08037	4.7
147.11699	22.7
149.09625	22.8
149.13284	12.5
151.07521	1.3
151.11205	3.9
153.06943	1.2
153.09084	1.4
155.08537	9.7
155.10576	1.7
156.09364	1.4
157.06538	1.1
157.08763	1.6
157.10118	14.9
159.08130	2.4
159.11703	26.5
161.09627	3.5
161.13292	11.6
163.11197	12.4
163.14819	2.0
165.06978	1.2
165.09196	1.2
165.12761	1.4
167.08556	3.8
167.10735	1.9
169.10098	10.1
171.08144	1.3
171.10266	1.9
171.11687	15.2
173.04510	3.2
173.09651	2.6
173.11758	7.0
173.13293	11.0
175.11232	4.3
175.14841	4.0
177.12784	6.6
179.08556	1.2
179.14352	4.6
179.25232	1.1
181.10143	4.8
183.11697	10.6
185.09608	1.7
185.13254	8.4
187.11171	3.0
187.14851	3.7
189.11209	3.4
189.12801	3.5
189.16414	1.5
193.10220	1.7
193.12280	3.0
195.11719	4.6
195.13817	4.6
197.13257	8.3
199.11386	1.3
199.13255	2.5
199.14871	5.0
201.12698	3.1
205.10071	1.0
205.12234	1.5
205.15852	1.6
207.11671	3.2
207.13744	2.2
209.13255	4.8
211.14812	4.5
213.12862	1.5
213.16399	3.2
215.14389	1.4
215.18024	1.8
217.15845	1.4
218.20438	1.1
219.11633	1.1
219.13860	1.2
221.13315	1.6
223.13081	1.3
223.14992	2.4
225.12810	1.2
227.12639	5.7
227.17853	2.1
229.14268	8.9
229.19472	2.7
231.21115	1.3
233.15340	1.8
235.14725	2.0
237.16428	2.5
239.14720	1.3
239.17978	3.5
241.19539	4.9
243.15993	2.6
243.21161	1.3
245.19093	1.7
247.17052	1.3
247.20615	2.5
253.14189	1.2
253.17957	2.1
255.15761	1.7
257.19019	7.6
259.20560	13.5
263.20126	1.8
269.17404	10.4
273.18628	3.8
275.20059	30.8
276.20428	1.4
277.21832	1.3
281.17667	1.0
283.20578	2.4
291.19543	7.4
293.21115	2.6
297.16742	1.5
297.22174	1.1
301.21530	1.2
315.23294	2.3
327.23218	1.8
331.22485	2.9
333.24338	12.3
349.23776	22.7
365.23364	4.2
383.24277	1.8
395.29550	1.1
417.26285	1.3
421.30453	3.2
423.27304	1.5
433.30389	1.7
445.29453	1.6
447.30972	1.8
449.29367	1.4
475.31882	1.1
485.32758	1.5
487.34152	2.5
495.35019	2.5
501.35574	1.9
503.33453	2.2
513.35864	23.5
514.35669	1.3
515.38184	1.6
525.36017	1.1
527.37140	3.7
529.35205	2.2
543.37024	8.1
555.36859	1.8
561.38525	1.8
607.43561	11.7
623.42761	4.4
625.44788	10.5
641.43207	1.9
1058.11682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.4
51.02380	5.4
53.03952	32.7
53.35937	0.8
55.01865	2.3
58.06589	0.9
60.08175	11.5
60.95869	0.8
64.32829	0.8
68.02987	0.9
71.19745	1.7
71.20795	0.8
73.35956	0.9
77.03938	14.1
81.03430	2.8
95.04980	27.2
98.07260	0.9
102.04704	5.4
103.05480	100.0
104.10065	1.1
104.10759	20.8
105.04539	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	1.1
51.02383	3.7
53.03951	29.7
55.01875	1.6
56.96579	0.6
57.03427	0.8
60.02135	1.6
60.08179	1.1
60.95864	0.8
62.07397	0.6
67.21590	0.8
71.00159	1.3
71.03445	0.7
77.03938	9.4
81.03416	2.6
85.02879	0.7
88.01609	0.9
89.50764	0.6
90.04144	0.7
93.42518	0.7
95.04369	1.5
95.04975	26.6
102.04690	5.5
103.04006	2.1
103.05473	100.0
104.05806	1.4
104.10758	1.9
105.04515	15.0
121.44230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.59
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08126	2.1
73.02901	4.4
73.06565	1.3
77.03909	1.7
79.05498	88.6
80.05820	1.8
81.02983	1.8
81.03422	17.8
81.07061	76.8
82.07394	1.9
83.04988	14.1
83.08623	15.6
85.02908	17.5
85.06535	4.7
86.09734	6.2
87.04442	1.4
89.54748	1.2
91.03967	6.0
91.05486	100.0
92.05756	1.6
92.06294	1.2
93.07047	80.0
94.04208	1.1
95.04976	20.4
95.08614	56.1
97.02898	17.8
97.06533	16.8
97.10160	13.7
97.35527	1.1
99.04456	3.3
99.08061	3.7
103.03967	1.4
103.05466	4.6
105.04512	3.9
105.07038	75.9
107.04955	14.0
107.08606	39.8
109.02879	3.9
109.06505	9.7
109.10162	28.6
111.04426	3.0
111.08087	7.1
113.09635	3.1
115.05432	7.2
116.06260	2.2
116.07023	1.7
117.07025	30.4
119.04932	1.7
119.08588	47.8
121.06498	6.4
121.09329	1.8
121.10159	24.9
123.04419	2.2
123.08069	7.1
123.11699	4.2
125.09631	10.1
127.03902	6.9
128.06252	7.9
129.05469	3.8
129.07024	19.9
129.10059	1.5
130.07762	3.2
131.08577	36.1
133.06500	2.7
133.10136	39.7
135.08081	8.1
135.11702	14.1
137.09616	9.6
139.03897	3.8
139.11110	2.7
141.06979	6.3
142.07767	2.9
143.08580	16.8
144.09323	2.2
145.04976	3.6
145.06491	3.7
145.10139	28.4
147.08057	4.5
147.11694	22.4
149.09641	20.4
149.13275	11.2
151.11211	2.9
153.01852	3.0
153.07028	2.7
154.07761	1.7
155.08577	8.6
155.10646	2.2
156.09344	1.7
157.10130	15.6
159.08051	2.4
159.11690	21.2
161.09633	4.0
161.13260	12.7
163.11198	12.3
163.14845	2.0
165.07013	2.1
165.09099	2.2
165.12788	1.2
166.07732	1.2
167.08568	5.9
168.09453	1.4
169.10135	10.1
171.08118	1.5
171.10269	2.5
171.11699	16.7
173.04387	1.6
173.09624	3.3
173.11743	5.1
173.13260	9.1
175.11189	4.2
175.14862	4.3
176.03844	1.3
177.12735	6.3
179.08669	2.0
179.14294	6.4
181.10103	4.9
182.10918	1.9
183.11693	10.4
183.14902	1.4
185.09570	1.4
185.13287	9.8
187.11182	3.3
187.14822	2.4
189.11186	4.6
189.12753	3.1
191.14287	1.6
193.10182	2.1
193.12303	1.9
195.11707	5.9
195.13820	3.7
197.11661	1.4
197.13284	6.7
199.11171	1.6
199.13174	1.5
199.14825	5.3
201.12897	1.5
201.16354	1.5
203.14423	1.3
207.13818	1.3
209.13275	3.8
211.14760	5.2
213.16452	3.2
215.14354	1.4
221.13248	2.4
221.15213	1.3
227.12819	4.1
227.17989	1.3
229.14264	8.6
229.19463	2.6
231.21101	1.9
235.14801	2.2
237.16367	3.0
239.17935	4.1
241.19540	4.7
245.19133	1.7
249.16516	1.9
257.19031	9.0
259.20563	12.2
269.17422	12.3
273.18451	4.0
275.20074	28.3
281.17493	2.1
291.19495	6.1
293.21225	2.2
297.22202	1.5
299.20331	1.4
315.23291	3.1
327.23288	1.6
331.22629	2.4
333.24203	12.1
335.25864	2.6
349.23770	20.9
365.23087	3.8
367.24786	1.3
403.29803	1.5
421.31082	3.6
423.27444	3.3
431.28162	1.6
447.30765	2.1
450.30060	1.2
450.96231	1.2
487.33939	4.3
495.34830	1.6
497.39047	1.1
501.35013	1.3
503.33157	1.8
513.35822	24.1
515.37451	2.0
525.35840	2.3
527.37396	3.3
543.36615	7.0
551.40656	1.5
555.36145	2.1
607.43787	14.4
623.42914	4.4
625.44757	10.3
633.98309	1.4
923.53778	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	3.5
53.03949	30.7
55.01875	2.0
60.02135	2.4
60.08147	1.0
69.18522	8.1
71.80154	0.8
74.02465	1.1
75.04459	0.9
77.03934	10.3
81.03412	2.8
88.01631	1.1
89.88761	0.9
95.04971	27.8
96.79671	0.7
98.21553	1.6
102.04708	5.9
103.04005	2.4
103.05471	100.0
104.05788	1.0
104.10761	1.6
105.04514	17.2
106.81003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5952
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05003	5.7
71.08614	1.3
73.02898	3.7
77.03922	1.8
79.05495	80.2
81.03423	19.9
81.07058	100.0
82.07401	1.4
83.04980	17.0
83.08152	1.7
83.08624	21.4
84.08099	1.4
85.02906	14.1
85.06543	5.4
91.03944	4.3
91.05481	75.2
93.07046	80.4
95.04970	21.0
95.08608	46.2
97.02877	11.3
97.06529	21.4
97.09557	1.2
97.10168	17.1
99.04469	2.9
99.08082	3.7
103.05476	2.7
105.04507	4.2
105.07033	56.0
107.04953	18.8
107.08596	54.9
107.09183	0.7
109.02873	4.3
109.06513	11.9
109.10165	21.0
111.04421	2.3
111.08077	8.0
113.05996	1.2
113.09638	1.7
115.05446	3.6
116.06275	1.4
117.06230	2.1
117.07020	29.8
119.04892	2.1
119.08585	41.0
120.05693	1.5
121.06504	16.3
121.09330	1.8
121.10150	25.9
123.04485	1.9
123.08084	6.7
123.11713	6.8
125.09631	11.7
127.03947	6.3
128.06229	3.9
129.05510	2.5
129.07011	13.1
130.07770	2.8
131.07600	1.6
131.08566	30.6
133.06458	2.9
133.10135	34.4
135.08072	8.8
135.11696	23.7
137.02357	1.1
137.05981	3.4
137.09596	5.1
137.13280	1.3
141.07018	6.1
142.07852	2.4
143.08585	11.2
144.09276	1.3
145.04924	1.9
145.06476	4.0
145.10127	31.1
147.07999	3.4
147.10533	1.3
147.11688	21.8
149.09621	22.9
149.13263	14.2
151.11189	3.3
153.09070	1.9
154.07759	1.2
155.08569	6.4
157.10120	9.1
159.11699	24.6
161.05995	1.2
161.09621	4.3
161.13286	7.2
163.06113	1.7
163.11186	15.8
163.14793	1.5
164.07088	2.4
165.09123	1.9
165.12791	3.2
167.08530	2.9
168.80403	1.0
169.10115	7.1
171.08057	2.1
171.10220	2.4
171.11694	8.3
173.04468	4.9
173.05930	1.8
173.09575	2.5
173.11839	2.0
173.13268	8.8
175.11244	2.5
175.14862	2.0
177.07841	2.6
177.12729	7.3
179.08614	1.5
179.14339	4.3
181.10110	2.3
181.12212	2.4
183.11685	8.1
185.13275	4.0
187.07599	1.3
187.11211	3.3
187.14827	2.9
189.11229	8.2
189.12706	2.6
191.10797	1.4
191.14323	1.4
193.12196	1.9
195.11874	2.1
195.13809	7.2
197.09644	1.2
197.13252	5.5
199.14879	2.6
201.12903	1.6
201.16435	1.2
207.13757	1.2
209.13281	2.0
211.14888	1.5
213.12740	1.3
215.17964	1.5
217.15839	1.6
221.13235	1.4
227.12769	17.0
229.14282	2.7
229.19612	3.4
233.15404	2.0
235.16885	1.5
239.17938	6.3
245.13864	1.9
247.20605	4.6
251.16447	2.5
253.14316	1.9
255.15878	15.2
257.19040	13.7
259.20493	1.5
267.16000	5.3
269.17493	42.1
273.18518	1.5
274.18060	3.3
275.20068	62.2
276.20346	1.9
283.20566	1.2
288.35312	1.0
291.19534	2.1
293.21091	8.2
302.17407	3.5
304.21872	1.2
311.23254	1.4
313.27240	2.0
320.18524	3.6
331.22659	4.0
349.23734	55.9
367.24893	7.9
376.85092	1.1
394.22247	1.9
401.23035	1.8
413.21509	2.5
423.27469	2.5
423.32486	1.4
431.27866	2.1
433.30634	3.2
435.27255	2.8
439.26859	2.7
445.28827	2.3
449.29077	19.8
451.32104	2.0
463.30551	24.1
503.33591	3.2
511.34604	2.3
515.37238	1.6
519.32965	2.6
525.35687	6.6
527.37262	1.9
529.35455	12.8
543.36804	54.5
544.36823	2.9
547.36121	3.1
561.37762	12.2
593.33514	2.5
605.41693	3.0
607.34235	3.7
623.43066	15.8
632.45190	9.9
641.44183	10.9
651.37885	1.8
659.43939	1.6
669.39508	1.8
676.47632	4.7
687.40503	3.9
705.41858	1.6
785.47363	1.5
794.49792	4.3
838.53241	5.7
938.47961	1.3
956.54901	5.8
1000.58728	8.3
1018.57489	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.595
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04976	7.4
73.02903	3.7
77.03921	2.7
79.05496	74.7
81.03422	20.6
81.07060	100.0
83.04979	16.8
83.08623	21.0
85.02909	15.2
85.06529	5.8
91.03960	4.2
91.05482	71.6
93.07048	77.7
95.04975	24.7
95.08615	44.4
97.02888	13.1
97.06528	22.9
97.10169	13.7
98.21523	3.8
99.04428	3.9
99.08078	3.9
103.05463	3.8
103.72135	1.8
105.07038	60.1
107.04952	16.1
107.08600	57.6
109.02894	4.2
109.06502	13.7
109.10163	21.8
111.04443	4.3
111.08095	10.0
115.05464	4.8
117.07019	24.0
119.08587	37.5
121.06507	38.1
121.10151	28.7
123.08056	7.8
123.11694	8.6
125.09624	14.2
127.03922	6.7
129.07002	8.0
130.07774	3.5
131.08585	29.7
133.06512	3.3
133.10144	33.6
135.08055	8.3
135.11702	24.6
137.06042	2.6
137.09608	4.5
141.06972	5.1
142.07828	2.8
143.08556	8.8
145.05009	2.5
145.06471	1.9
145.10136	31.8
147.08051	4.3
147.11699	22.5
149.06032	2.2
149.09631	19.6
149.13239	17.3
151.11171	4.3
155.08542	4.9
157.10114	11.3
159.08054	3.3
159.11697	25.4
161.09691	2.6
161.13274	5.8
163.11200	18.8
164.07114	2.3
165.12767	4.3
167.08594	2.6
169.10144	5.6
171.11694	7.9
173.04510	2.9
173.09669	2.6
173.11943	2.5
173.13266	11.6
175.11185	4.2
175.14813	2.3
177.07846	3.5
177.12798	5.8
179.14304	5.5
181.12201	3.3
183.11700	6.7
185.13188	3.3
187.11246	4.5
189.11197	6.9
192.10188	3.1
195.11827	2.2
195.13692	8.8
197.13297	5.4
201.12758	3.0
201.16396	2.4
207.13797	2.1
211.14975	2.6
213.14795	3.0
222.11214	2.3
223.13289	5.8
227.12778	18.8
229.14316	4.4
229.19528	4.9
233.15225	1.8
239.17921	5.3
245.13841	3.0
247.20581	2.1
251.16370	2.3
253.17917	2.6
255.15945	11.2
257.19022	17.1
259.20621	2.2
267.15942	6.3
269.17508	48.1
273.18527	3.0
274.18124	4.8
275.20081	80.0
291.19696	2.5
292.43115	1.7
293.21170	14.3
302.17468	7.1
313.27261	7.7
319.01041	1.9
320.18607	3.9
331.22620	4.7
349.23740	69.7
350.24011	2.2
365.23224	2.4
367.24844	32.9
376.21133	2.5
394.22025	2.1
423.27246	5.6
433.30957	2.6
435.27255	2.1
439.26944	3.5
445.29453	2.8
447.30991	3.8
449.29016	21.9
451.31921	2.6
463.30588	27.7
503.33530	4.3
515.37213	3.4
525.35565	8.0
527.37115	2.3
529.35120	15.7
543.36841	73.4
547.36914	2.6
561.37646	9.4
571.34717	2.2
593.33490	1.8
605.41748	3.0
607.34326	6.7
623.43121	23.7
632.45093	11.4
641.43921	27.9
659.45197	20.5
676.46826	5.6
694.48242	2.0
705.41437	2.0
794.50482	3.9
838.52277	6.8
856.52606	7.6
956.54321	5.4
1000.58264	14.3
1018.59589	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	1018.5952
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01355	1.0
71.04998	6.3
71.82562	0.9
73.02551	1.1
73.02911	5.8
77.03934	3.8
78.04704	1.6
79.05498	83.2
81.03423	16.2
81.07061	89.5
83.04992	15.5
83.08617	13.2
84.21876	1.2
85.02915	23.0
85.06538	4.3
87.04446	1.5
91.03963	8.8
91.05485	100.0
93.07049	79.5
95.04971	17.2
95.08613	57.3
96.04495	1.7
97.02892	19.1
97.06531	15.0
97.10159	6.3
98.09705	2.0
99.04466	3.5
99.08098	4.9
103.03915	1.4
103.05488	5.8
105.04517	4.7
105.07038	80.3
107.04955	8.6
107.08601	42.0
109.02882	2.5
109.06523	8.3
109.10165	21.5
111.04472	2.6
111.08092	7.5
111.11752	1.4
115.05458	8.7
116.06249	2.1
117.07021	38.7
117.07859	2.0
119.04958	1.3
119.08588	57.9
121.06519	6.1
121.10152	27.9
123.04404	1.6
123.08074	8.3
123.11729	5.7
125.09618	3.4
127.03916	9.0
128.06194	7.8
129.05533	5.1
129.07007	25.7
130.07776	3.5
131.08578	42.8
133.06509	1.8
133.10141	38.3
135.08080	4.5
135.11690	17.2
137.05984	1.2
137.09618	3.6
137.13228	1.4
139.11140	1.8
141.06993	7.4
142.07811	5.9
142.08804	1.1
143.08571	20.3
144.09384	1.8
145.04987	7.7
145.06490	3.2
145.10130	36.2
147.08067	3.4
147.11696	33.2
149.09642	11.2
149.13271	14.3
151.11171	3.5
153.07007	2.0
154.07779	2.0
155.08553	14.2
156.09355	1.2
157.10136	22.1
159.08031	2.5
159.11700	28.0
161.09633	3.4
161.13258	14.4
163.06097	1.7
163.11174	7.0
163.14841	2.7
165.12772	1.3
167.08536	5.0
168.09326	1.4
169.10127	12.9
171.11699	21.5
173.04375	1.3
173.09671	2.9
173.11821	1.9
173.13266	16.1
175.11266	3.5
175.14789	6.5
177.12740	5.9
179.08539	2.1
179.14354	2.8
181.10080	5.0
182.10944	1.8
183.11708	14.3
185.09604	1.6
185.13275	13.7
187.11108	1.6
187.14807	5.6
189.12779	3.3
189.16409	2.0
191.14345	1.3
193.10283	2.0
193.12091	1.7
195.11728	7.5
195.13832	4.6
197.13243	9.7
199.11182	1.7
199.13264	1.2
199.14865	7.1
201.12708	1.5
201.16360	1.9
207.11734	3.1
207.13617	2.1
209.13292	4.4
211.14803	5.3
213.12958	1.2
213.16452	5.4
215.14287	1.8
215.17947	1.9
217.15857	2.1
219.11755	1.0
221.13361	2.0
223.14880	3.3
225.16451	2.0
227.18050	2.1
229.14281	1.8
229.19516	1.9
231.21089	2.6
235.14903	2.0
237.16374	3.4
239.17940	4.3
241.19655	7.4
245.19113	1.2
247.20668	2.5
249.16545	1.2
251.18130	1.5
255.17506	1.2
257.19040	7.1
259.20615	22.1
261.22369	1.6
265.19626	1.9
267.15945	1.4
269.17416	16.5
271.20456	1.2
275.20062	14.4
277.21783	1.2
281.17462	4.0
283.20663	1.5
295.20587	1.1
297.22156	1.4
299.20123	1.4
301.21555	1.3
309.22421	1.2
311.23547	1.2
313.21680	2.1
315.23264	3.8
323.23798	2.0
325.21594	1.6
331.22852	1.9
333.20966	1.6
333.24396	17.1
335.26062	2.5
349.23801	6.8
353.24948	1.3
369.28226	1.3
377.28616	1.2
387.25125	1.2
417.31525	1.9
421.30237	1.4
435.32568	5.1
439.32468	1.3
453.33456	3.0
463.30408	1.5
471.34241	1.4
475.30484	2.8
485.32742	1.5
487.34235	1.3
509.36212	1.2
513.35718	5.0
515.37811	2.4
517.40289	3.9
527.37274	15.7
535.41559	1.4
539.36975	2.4
543.36786	2.0
545.37988	1.3
591.44055	2.9
607.43652	6.5
609.45123	33.0
613.87903	1.2
625.44446	6.9
708.86969	1.5
722.06470	1.1
771.49969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5943
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04977	6.1
71.08633	1.6
73.02902	4.5
73.78267	1.3
75.45685	1.3
77.03908	3.2
79.05492	91.2
81.03416	18.8
81.07053	97.8
83.04984	15.5
83.08617	19.1
85.02898	13.0
85.06545	6.1
91.03949	6.0
91.05476	100.0
93.07041	80.3
93.07643	2.9
95.04966	15.8
95.08607	54.4
97.02894	13.6
97.06534	19.3
97.10167	15.0
99.04454	2.1
99.08101	4.5
101.02425	1.7
103.05453	3.2
105.04520	4.7
105.07029	79.2
107.04948	12.7
107.08596	47.7
108.08940	1.8
109.02878	3.5
109.06514	9.8
109.10152	28.3
111.04420	2.7
111.08064	8.1
113.09641	3.3
115.05437	6.3
115.19543	1.2
116.06193	1.2
117.07021	36.1
119.04964	1.4
119.08585	55.2
121.06492	8.7
121.10144	26.8
123.08051	6.9
123.11721	7.0
125.06047	1.7
125.09616	13.7
127.03934	6.4
127.07713	1.4
128.06236	7.5
129.05473	3.6
129.07018	20.0
130.07832	2.6
131.04935	1.7
131.08571	47.7
133.06496	5.7
133.10127	46.2
135.08049	8.5
135.11681	18.8
137.09602	6.7
137.13297	1.9
139.07513	1.9
139.11234	2.2
141.06993	8.5
142.07773	5.5
143.08568	19.2
144.09297	1.9
145.05002	3.9
145.06458	3.5
145.10117	38.4
146.01100	1.4
147.08063	4.6
147.11676	29.3
147.67960	1.4
149.09613	16.8
149.13254	13.9
151.11156	3.1
153.09114	1.7
153.12717	1.6
154.07780	2.0
155.08546	13.8
156.09312	1.6
157.10124	20.3
159.11697	29.7
161.09596	4.7
161.13280	15.7
163.11182	12.4
163.14824	2.5
165.07013	1.5
165.09154	1.5
165.12727	1.4
167.08571	4.6
168.09399	1.9
169.10144	14.0
171.08037	1.3
171.10298	2.3
171.11671	19.1
173.04504	4.0
173.09648	3.6
173.11876	2.2
173.13254	14.4
175.11188	4.3
175.14819	5.8
177.12761	5.7
178.71825	1.6
179.08511	1.9
179.14334	4.6
181.10152	5.5
181.12245	2.9
183.11685	15.2
185.09668	1.3
185.13237	11.9
187.11179	3.7
187.14748	3.4
189.11211	5.4
189.12799	3.3
193.10167	2.0
195.11865	6.7
195.13670	6.8
197.13268	10.8
199.14832	8.1
201.12708	2.1
201.16417	2.4
203.14343	2.0
205.10052	1.8
207.11719	2.5
207.13739	2.9
209.13248	5.6
211.14838	4.4
213.12909	2.5
213.16495	3.4
215.18016	2.5
217.15839	1.7
219.11462	2.0
221.13211	1.9
223.14806	2.8
225.16473	1.7
227.12712	12.6
227.18022	1.7
229.14308	7.0
229.19472	3.2
231.17522	1.7
231.21167	2.2
233.15331	2.1
237.16405	2.8
239.17931	6.1
241.10535	1.7
241.19569	6.3
247.20668	2.2
253.14432	2.7
255.15967	4.7
257.19016	11.8
259.20566	19.9
267.15891	3.0
269.17465	22.0
273.18674	3.0
273.22003	1.9
275.20081	33.8
276.20270	1.8
291.19327	3.2
293.21191	3.7
297.22086	1.9
301.21768	1.7
309.22241	1.7
313.21600	2.2
315.23178	5.5
325.21664	1.5
331.22897	2.4
333.24234	15.4
339.23123	1.4
349.23788	26.9
350.24353	1.6
351.25833	1.5
355.25952	1.9
365.23291	2.7
367.24905	2.7
371.26044	1.6
375.25491	1.3
421.30957	4.0
431.27277	1.5
433.30746	2.8
435.32901	1.9
439.32272	1.8
449.28979	3.4
463.30447	7.7
469.33231	2.6
487.34189	3.4
503.33759	1.7
513.35718	21.1
515.38196	3.8
525.35864	3.8
527.37183	17.1
529.35089	1.6
533.39697	2.5
538.36011	1.7
543.36749	12.5
545.38562	2.0
551.39978	2.4
561.37653	2.5
607.43555	19.2
623.42572	2.9
625.44513	22.6
641.44189	3.4
680.10345	1.7
1018.62671	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	1016.5792
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01345	0.8
73.02923	1.7
77.03928	1.3
79.05499	50.0
81.03422	10.4
81.07061	51.2
82.07359	0.9
83.04986	9.2
83.08624	13.2
85.02914	5.4
85.06545	3.3
91.05488	46.6
93.07049	39.9
95.01315	1.5
95.04974	15.8
95.08611	24.3
97.02905	12.9
97.06545	11.1
97.10168	15.0
99.04472	1.3
99.08085	1.7
103.05479	2.7
105.04523	2.4
105.07041	36.3
105.25610	0.9
107.04961	18.0
107.08598	33.8
109.02897	1.5
109.06534	7.9
109.10170	15.7
111.04447	2.4
111.08100	3.9
115.05457	1.6
116.06226	1.0
117.07016	17.9
119.04934	2.6
119.08591	25.5
119.09454	1.3
121.06529	6.8
121.10153	14.4
122.07283	1.6
123.04436	1.9
123.08059	6.0
123.11723	3.0
125.09634	11.9
127.03950	2.6
128.06235	2.6
129.05421	0.9
129.06996	8.2
130.07841	1.1
131.08574	21.2
133.06477	5.5
133.10135	18.2
134.07339	0.9
135.08049	7.4
135.11691	9.2
137.05995	1.3
137.09637	4.2
137.13167	1.1
139.11174	1.1
140.95505	0.8
141.06996	3.2
142.03386	0.7
142.07811	1.9
143.08556	7.7
145.06499	3.1
145.10138	18.5
147.08055	9.7
147.11696	11.4
149.09627	8.4
149.13264	6.0
151.07610	1.0
151.11185	3.4
153.01738	1.1
153.06981	0.8
153.09114	2.2
155.08551	1.7
157.10126	6.6
159.08139	1.9
159.11708	11.0
161.09666	6.0
161.13263	4.3
162.02190	0.9
163.11171	5.6
164.07077	3.4
165.09108	3.1
167.08597	1.0
169.10139	3.3
169.12285	1.2
171.08179	1.0
171.10326	1.3
171.11620	4.9
173.04439	2.2
173.11885	1.4
173.13286	3.9
175.11169	3.2
175.14810	1.2
177.11374	0.8
177.12704	3.8
179.04927	0.8
179.14294	1.8
181.12335	0.9
183.11707	2.3
184.07347	1.0
185.09511	1.1
185.13326	2.3
187.11168	2.3
187.14864	1.2
189.11234	7.7
189.12756	1.5
193.12263	1.8
195.11667	1.0
195.13786	2.9
197.13190	2.2
199.14987	1.5
205.12282	2.4
207.13812	1.0
209.13252	1.1
211.13226	1.4
213.12781	1.0
223.13290	18.6
223.15439	1.2
227.12759	16.7
228.21181	0.8
229.14310	1.7
229.19611	1.4
233.15376	1.2
235.16940	1.2
237.16490	1.3
239.18024	1.3
241.19650	2.0
245.18982	1.9
247.20711	1.5
249.14908	3.5
253.14337	1.9
255.15936	3.2
257.19019	8.4
259.20657	2.3
263.19849	0.8
267.15952	3.1
269.17471	12.4
273.18521	15.8
275.20084	23.8
283.15778	0.9
290.18756	1.2
291.19559	100.0
292.19992	1.4
293.21136	2.3
303.16028	0.8
309.20789	1.1
321.24283	1.0
331.22632	2.9
333.24292	3.7
347.22177	3.6
349.23758	26.7
365.23264	44.5
366.23645	1.0
367.25073	1.7
381.22769	3.9
396.62552	1.0
413.21820	1.3
461.28799	2.5
463.17926	0.9
479.29865	1.1
519.32977	3.8
527.33752	1.1
535.32941	4.7
541.35327	3.1
543.36755	2.2
545.34741	11.8
559.36334	51.3
560.36499	1.3
609.20215	0.9
621.41125	3.5
623.42969	1.0
639.42578	54.1
640.42542	4.4
657.43896	5.6
703.39978	2.1
707.42804	3.1
845.12952	1.2
854.48297	1.6
1016.59460	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	2.9
58.96175	3.3
59.95132	1.4
59.96161	1.5
59.99936	2.3
60.95861	2.2
66.49437	1.5
71.23778	1.5
71.26699	3.0
82.99861	8.0
83.01511	13.2
84.01201	2.1
100.97993	2.6
101.00895	56.5
101.02560	19.0
102.02253	4.7
102.39150	1.6
119.01932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5793
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04995	2.4
71.51458	2.1
79.05498	39.6
81.03423	9.5
81.06586	2.1
81.07063	41.7
83.04985	8.3
83.08620	10.7
85.02916	5.8
85.06543	2.9
91.03954	1.8
91.05490	43.9
93.07053	32.5
94.04204	0.9
95.04987	10.4
95.08613	23.2
97.02894	11.4
97.06531	8.2
97.10166	12.2
99.04463	1.3
99.08088	1.2
101.39140	1.1
103.05473	2.9
104.21290	1.0
105.04533	2.0
105.07040	32.4
107.04964	8.2
107.08598	27.2
109.06522	3.9
109.10165	13.1
111.04422	1.8
111.08087	4.4
115.05456	2.6
116.72287	1.0
117.07030	17.1
117.50906	0.8
119.04910	1.7
119.08591	28.0
121.06518	4.7
121.10148	13.6
123.08070	4.4
123.11703	1.7
125.09640	11.3
127.03927	2.9
128.06241	2.5
129.05507	1.6
129.07028	9.4
130.08672	0.9
131.08578	17.7
133.06517	5.0
133.10139	21.4
135.08067	5.5
135.11713	8.8
136.06154	1.2
137.09630	3.0
139.03952	1.2
141.07013	1.6
142.07838	1.8
143.08554	9.1
145.04984	2.3
145.06494	1.0
145.10146	14.3
147.08037	5.0
147.11696	13.1
149.09639	6.3
149.13281	7.3
151.11205	3.1
153.09132	2.3
155.08543	2.6
156.09346	1.2
157.10150	7.6
159.08069	1.4
159.11700	11.1
159.43767	0.9
161.09622	3.1
161.13271	7.0
162.07779	2.6
163.11195	3.6
165.09129	1.7
169.10127	4.3
171.10342	1.9
171.11708	6.5
173.13257	5.3
175.11211	3.0
175.14818	2.0
177.12766	3.7
179.10635	0.9
181.10159	1.8
183.11697	4.0
185.13277	3.9
187.14861	2.0
189.11253	6.2
189.12721	1.8
193.12340	1.4
195.11708	1.7
195.13814	2.9
197.13246	2.7
199.11278	1.5
199.14806	2.4
201.16397	1.6
203.14381	1.3
205.12291	2.3
209.13261	1.1
213.12851	1.0
213.16487	2.0
217.15839	1.0
223.13269	17.4
225.16408	1.0
227.12769	7.5
231.17294	1.1
231.21056	1.4
239.17915	2.2
241.19528	7.3
245.18968	1.6
249.14890	3.5
253.14389	3.1
257.18976	4.5
259.20593	15.5
269.17480	9.3
273.18478	13.8
275.17224	1.4
275.20029	9.5
289.18271	1.0
291.19568	100.0
292.19888	3.0
297.16946	1.1
315.23221	2.3
323.23663	1.0
331.22916	1.1
333.24210	14.5
335.25980	1.6
347.22379	1.4
349.23950	6.0
365.23254	35.7
366.23853	1.1
379.29965	1.3
449.30273	1.4
469.33347	1.1
525.35571	3.8
529.35278	1.3
531.38293	1.3
541.35162	1.4
543.36798	4.1
549.39246	1.5
559.36383	23.3
560.36688	1.3
571.36182	1.8
605.41553	2.9
623.43073	20.9
624.42957	1.4
639.42499	7.5
641.43842	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5792
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01345	0.8
73.02923	1.7
77.03928	1.3
79.05499	50.0
81.03422	10.4
81.07061	51.2
82.07359	0.9
83.04986	9.2
83.08624	13.2
85.02914	5.4
85.06545	3.3
91.05488	46.6
93.07049	39.9
95.01315	1.5
95.04974	15.8
95.08611	24.3
97.02905	12.9
97.06545	11.1
97.10168	15.0
99.04472	1.3
99.08085	1.7
103.05479	2.7
105.04523	2.4
105.07041	36.3
105.25610	0.9
107.04961	18.0
107.08598	33.8
109.02897	1.5
109.06534	7.9
109.10170	15.7
111.04447	2.4
111.08100	3.9
115.05457	1.6
116.06226	1.0
117.07016	17.9
119.04934	2.6
119.08591	25.5
119.09454	1.3
121.06529	6.8
121.10153	14.4
122.07283	1.6
123.04436	1.9
123.08059	6.0
123.11723	3.0
125.09634	11.9
127.03950	2.6
128.06235	2.6
129.05421	0.9
129.06996	8.2
130.07841	1.1
131.08574	21.2
133.06477	5.5
133.10135	18.2
134.07339	0.9
135.08049	7.4
135.11691	9.2
137.05995	1.3
137.09637	4.2
137.13167	1.1
139.11174	1.1
140.95505	0.8
141.06996	3.2
142.03386	0.7
142.07811	1.9
143.08556	7.7
145.06499	3.1
145.10138	18.5
147.08055	9.7
147.11696	11.4
149.09627	8.4
149.13264	6.0
151.07610	1.0
151.11185	3.4
153.01738	1.1
153.06981	0.8
153.09114	2.2
155.08551	1.7
157.10126	6.6
159.08139	1.9
159.11708	11.0
161.09666	6.0
161.13263	4.3
162.02190	0.9
163.11171	5.6
164.07077	3.4
165.09108	3.1
167.08597	1.0
169.10139	3.3
169.12285	1.2
171.08179	1.0
171.10326	1.3
171.11620	4.9
173.04439	2.2
173.11885	1.4
173.13286	3.9
175.11169	3.2
175.14810	1.2
177.11374	0.8
177.12704	3.8
179.04927	0.8
179.14294	1.8
181.12335	0.9
183.11707	2.3
184.07347	1.0
185.09511	1.1
185.13326	2.3
187.11168	2.3
187.14864	1.2
189.11234	7.7
189.12756	1.5
193.12263	1.8
195.11667	1.0
195.13786	2.9
197.13190	2.2
199.14987	1.5
205.12282	2.4
207.13812	1.0
209.13252	1.1
211.13226	1.4
213.12781	1.0
223.13290	18.6
223.15439	1.2
227.12759	16.7
228.21181	0.8
229.14310	1.7
229.19611	1.4
233.15376	1.2
235.16940	1.2
237.16490	1.3
239.18024	1.3
241.19650	2.0
245.18982	1.9
247.20711	1.5
249.14908	3.5
253.14337	1.9
255.15936	3.2
257.19019	8.4
259.20657	2.3
263.19849	0.8
267.15952	3.1
269.17471	12.4
273.18521	15.8
275.20084	23.8
283.15778	0.9
290.18756	1.2
291.19559	100.0
292.19992	1.4
293.21136	2.3
303.16028	0.8
309.20789	1.1
321.24283	1.0
331.22632	2.9
333.24292	3.7
347.22177	3.6
349.23758	26.7
365.23264	44.5
366.23645	1.0
367.25073	1.7
381.22769	3.9
396.62552	1.0
413.21820	1.3
461.28799	2.5
463.17926	0.9
479.29865	1.1
519.32977	3.8
527.33752	1.1
535.32941	4.7
541.35327	3.1
543.36755	2.2
545.34741	11.8
559.36334	51.3
560.36499	1.3
609.20215	0.9
621.41125	3.5
623.42969	1.0
639.42578	54.1
640.42542	4.4
657.43896	5.6
703.39978	2.1
707.42804	3.1
845.12952	1.2
854.48297	1.6
1016.59460	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	1004.6159
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06593	1.1
71.04982	2.0
73.02899	2.1
77.03889	1.1
79.05498	44.5
81.03409	2.9
81.07062	66.4
83.04965	3.6
83.08631	9.8
83.44670	0.8
85.02903	3.8
85.06525	3.2
91.03951	3.6
91.05486	30.1
91.17558	0.8
93.07047	50.4
95.04980	5.7
95.08610	41.6
96.08932	1.2
97.02881	2.5
97.06535	6.9
97.10178	6.6
98.21545	1.9
99.08115	1.5
105.04498	1.6
105.07037	23.4
107.04968	4.6
107.08601	34.5
109.02833	1.1
109.06541	5.5
109.10162	33.5
111.08084	4.1
117.07013	11.1
119.07805	1.5
119.08588	20.4
121.06493	3.0
121.10148	23.1
123.08073	2.2
123.11730	6.2
124.09969	0.8
125.09598	1.7
127.03916	1.6
128.06223	1.1
129.06966	3.0
130.77798	0.9
131.08580	13.3
133.06433	0.9
133.10146	16.1
135.08047	1.9
135.11699	13.3
135.59912	0.9
137.09624	2.9
137.13254	1.3
141.07051	1.1
143.08569	3.2
144.09335	1.4
145.04944	1.5
145.06552	0.8
145.10130	12.2
147.11694	9.8
149.09653	4.2
149.13257	9.9
151.11264	1.0
155.08591	1.1
155.10620	2.3
157.10095	3.4
159.11687	11.2
161.13264	5.4
163.06004	1.2
163.11221	1.9
163.14799	2.5
165.12822	1.7
168.09067	0.8
169.10095	2.8
171.11688	3.1
173.11726	4.4
173.13249	5.3
175.14841	2.7
177.12715	2.4
183.11751	1.7
185.13283	2.0
185.61172	0.9
187.14787	2.4
189.11143	1.4
195.13861	1.4
197.13193	1.4
199.14902	1.5
201.16316	1.3
213.16487	1.9
227.12761	4.4
229.14362	20.4
229.19447	1.6
239.18008	2.7
241.19608	1.1
243.21004	4.1
257.19022	3.5
259.20554	1.5
261.22162	11.7
266.26501	0.9
269.14917	0.6
269.17487	15.8
275.20053	19.6
293.21030	2.7
317.24777	1.8
325.59009	0.8
333.24121	1.1
335.25824	100.0
336.26013	3.0
349.23798	15.4
367.24841	9.4
413.21484	1.0
471.34497	1.1
489.35797	25.3
490.36011	1.5
507.36594	2.4
515.37006	1.1
529.38916	57.3
530.39233	2.8
569.41748	1.1
609.45190	42.2
610.45129	3.2
627.36816	1.8
627.46265	24.6
633.40198	1.6
673.42706	3.2
705.68243	1.1
1005.54364	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.6001
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	2.2
71.04994	8.8
73.02894	3.3
76.11130	1.7
79.05497	91.0
81.03431	16.2
81.07064	100.0
83.04987	11.1
83.08630	16.7
84.45995	1.7
85.02916	15.7
85.06552	6.5
85.34188	1.6
91.03954	5.5
91.05486	95.7
93.07050	93.2
93.07565	1.3
95.04967	14.2
95.08615	62.0
97.02887	11.8
97.06530	11.5
97.10173	10.3
98.20793	4.3
98.21439	5.0
99.04449	2.9
99.08134	2.7
103.05488	5.1
105.04510	2.6
105.07037	84.4
107.04949	10.9
107.08602	63.8
108.08271	1.7
109.02886	2.4
109.06527	6.3
109.10163	27.9
111.04446	2.1
111.08077	5.4
113.09650	2.0
115.05426	5.1
117.07021	38.3
119.06073	2.8
119.08590	71.4
120.08964	1.9
121.06485	6.8
121.10154	33.0
123.08069	5.7
123.11704	8.9
125.09634	6.2
127.03914	6.0
128.06209	6.4
129.07011	24.2
130.07870	2.1
131.04903	2.2
131.08583	44.7
133.06485	2.6
133.09117	2.8
133.10143	56.6
135.08067	7.2
135.11707	25.2
137.09680	2.6
141.06998	9.1
142.07797	7.2
143.08572	23.9
144.09248	2.1
145.06525	1.9
145.10144	40.1
147.08057	2.5
147.11710	41.0
149.09641	13.9
149.13292	13.7
151.11185	4.3
153.06976	3.3
153.09134	1.8
155.08592	13.2
157.10130	26.9
159.11705	27.2
161.09583	5.0
161.13284	22.8
163.11171	6.9
163.14784	2.1
165.12697	3.8
167.08551	6.2
169.10152	17.1
171.07935	2.2
171.11685	18.8
173.04466	3.3
173.13257	16.1
175.11115	2.5
175.14809	10.2
177.12794	4.5
179.08501	2.4
179.14261	3.1
181.10194	8.8
183.11728	14.5
185.13295	17.4
187.11230	2.4
187.14841	5.8
189.11201	2.4
191.14322	3.0
193.10155	2.5
195.11717	10.0
195.13884	2.3
197.13295	11.9
199.14874	9.6
201.12721	2.1
207.11670	5.1
209.13254	7.3
211.11186	2.8
211.14839	6.4
213.14592	2.1
213.16449	5.3
219.11708	2.4
221.13315	4.0
223.14937	3.2
225.16481	5.3
227.12706	4.7
227.18011	2.6
229.14305	4.0
231.21130	4.5
233.13084	2.9
235.14845	4.0
237.16518	4.0
239.17941	5.4
241.19577	14.6
247.17041	2.4
249.16364	2.5
253.14316	2.5
255.15688	9.1
257.19183	8.7
259.20602	36.1
265.19284	2.8
267.15887	3.9
269.17459	14.5
270.24295	2.1
271.20450	1.9
273.18530	4.3
275.20172	23.2
293.20917	2.5
297.22217	2.2
301.21735	1.9
315.23169	5.6
333.24341	41.3
349.23880	23.2
365.28400	2.2
367.25198	2.6
383.29251	1.9
403.29950	1.9
413.21973	2.2
421.31039	4.4
435.32437	7.1
437.34409	2.4
441.26025	2.7
453.33844	4.2
471.34717	3.0
487.34390	3.3
495.34845	2.2
497.37057	2.4
509.36261	7.5
513.35876	32.0
515.38098	7.8
527.37421	55.1
531.36688	4.4
533.39954	4.0
538.37323	2.1
545.38214	6.8
551.41144	4.5
589.41919	2.3
607.34076	3.3
607.43610	47.9
625.44727	44.0
635.38715	2.8
653.40295	2.4
671.41583	4.0
689.42261	3.2
715.44623	2.8
733.45752	2.4
751.47028	2.7
769.48193	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	1002.6006
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06576	5.3
70.25459	3.0
71.04998	6.9
71.50744	4.5
73.02916	2.9
76.80943	3.2
79.05069	5.7
79.05495	77.5
81.03411	10.8
81.07058	89.9
83.04987	12.7
83.08601	18.2
84.14363	3.5
85.02905	12.5
85.06535	4.3
91.03957	6.7
91.05482	100.0
91.60859	3.4
93.06481	6.1
93.07045	93.1
95.04976	12.8
95.08060	4.7
95.08614	55.2
97.02899	10.5
97.06536	11.4
97.10168	10.0
99.08083	7.2
103.05492	8.3
105.04510	3.9
105.07036	89.4
107.04951	10.1
107.08591	46.7
109.06509	8.2
109.10159	24.6
111.08079	6.4
115.05460	9.6
117.07003	40.4
119.08587	67.8
121.06524	16.7
121.10154	28.9
123.08090	4.7
123.11694	8.4
125.09628	8.4
128.06229	8.8
129.07018	25.9
130.07777	4.4
131.08591	41.6
133.10141	47.7
135.08066	7.2
135.10762	5.0
135.11665	25.0
139.03888	7.7
141.06995	9.4
142.07797	6.9
143.08574	27.6
145.06471	4.2
145.10126	38.1
147.08034	4.8
147.11699	35.7
149.09634	11.6
149.13240	10.9
151.11143	4.2
155.08537	13.9
157.10136	24.6
159.11707	34.7
161.09599	5.4
161.13264	14.4
163.11192	9.1
163.14854	5.0
167.08575	5.8
169.10139	21.1
171.11705	19.9
173.13258	22.4
175.11101	3.3
175.14856	11.6
181.10129	10.1
183.11798	14.7
185.13193	18.6
187.14888	4.1
195.11755	7.8
195.13687	4.1
197.13246	10.0
199.14813	9.7
209.13283	8.0
211.14841	6.2
213.16335	7.9
221.13321	8.2
223.14772	4.9
225.16437	5.5
227.12749	3.5
231.21059	5.5
235.14880	5.0
237.16405	4.8
239.18050	3.6
241.19476	15.5
255.15846	3.6
257.18985	9.2
259.20560	42.4
269.17477	10.6
275.20090	24.4
291.19830	3.5
321.22324	4.2
333.24268	42.2
349.23993	15.5
365.23212	4.6
365.28308	3.7
385.23837	4.0
435.32651	3.5
453.34085	4.0
492.14081	3.5
513.35858	22.2
515.14825	3.5
515.38660	9.6
527.37317	34.7
533.40100	7.9
545.37830	3.8
553.38770	8.8
567.39941	5.2
601.17212	3.5
607.34363	4.0
607.43561	64.1
625.44666	48.4
641.68457	3.5
660.44971	3.6
677.47644	3.6
678.48511	5.5
733.45917	5.1
769.48865	7.9
822.52679	5.3
840.53662	7.2
1002.58246	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.6211
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70666	11.8
71.04987	13.3
73.02902	4.3
79.05497	79.4
81.03422	14.0
81.06593	5.0
81.07060	100.0
83.04993	11.0
83.08629	12.3
85.02897	19.0
85.06506	2.6
91.03948	5.9
91.05482	65.5
93.07047	84.3
95.04964	13.5
95.08611	64.0
97.02906	13.9
97.06520	15.9
97.10189	5.6
99.04453	3.5
99.08095	9.3
105.04532	3.5
105.07035	52.9
107.04954	11.9
107.05553	2.3
107.08597	42.7
109.02888	2.5
109.06508	6.5
109.10149	27.1
111.04461	3.4
111.08066	6.4
113.09653	3.5
117.07024	22.4
119.08580	34.9
121.06497	4.1
121.09352	2.3
121.10158	31.1
123.08055	4.4
123.11734	7.0
125.09653	2.5
127.03912	6.6
129.06987	5.9
131.08566	28.0
133.10133	26.7
135.08044	4.2
135.11710	17.5
137.09593	4.0
139.11063	2.6
141.06949	6.3
143.08588	7.7
145.04988	3.4
145.10124	24.0
147.11707	17.1
149.09634	15.0
149.13225	11.4
151.11218	2.5
155.08527	5.4
157.10135	4.8
159.11691	19.2
161.09660	3.7
161.13264	10.0
163.11179	10.5
163.14799	2.3
164.53358	2.3
169.10124	4.3
171.11746	3.2
173.04474	4.4
173.13254	12.4
175.14888	3.0
183.11630	3.0
185.13368	5.2
187.11145	4.1
195.13916	2.5
197.13226	3.7
201.12727	3.0
213.16486	3.0
228.00902	2.3
237.33691	2.4
245.43976	2.3
247.20592	3.2
257.18988	9.1
261.22156	10.4
269.17514	6.5
275.20087	37.2
293.21182	4.6
335.25809	99.8
336.25970	3.8
349.23718	50.6
381.26263	5.6
489.35849	9.1
513.39142	2.6
515.37115	14.6
529.38928	62.0
566.17035	2.5
609.45117	75.0
610.45007	3.4
627.46417	12.3
641.47791	20.3
688.26672	2.4
712.75024	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	1002.5993
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06587	1.8
71.04990	4.6
72.64373	1.9
73.02909	4.8
77.03900	2.1
79.05493	89.7
81.03423	12.3
81.07056	98.7
83.04980	14.0
83.08621	17.4
85.02903	19.9
85.06544	4.2
85.70650	1.5
90.62674	1.5
91.03970	10.7
91.05482	100.0
93.07046	87.5
94.79202	1.5
95.04960	13.3
95.08606	63.0
97.02887	13.6
97.06540	10.6
97.10171	9.8
99.04460	3.4
99.08089	3.0
103.05469	6.5
105.04513	3.7
105.07032	84.1
107.04962	7.6
107.08588	50.7
109.02911	2.0
109.06509	6.3
109.10157	25.3
111.04408	3.1
111.08083	6.7
113.09585	1.9
115.05437	8.2
116.06253	2.8
116.07066	2.3
116.22322	1.7
117.06225	3.4
117.07014	43.8
117.95495	1.9
119.08582	61.3
120.25749	1.8
121.06509	10.7
121.10155	35.8
123.08073	6.3
123.11700	7.1
125.09630	7.4
127.03899	8.3
127.07533	2.0
128.06216	8.3
129.05481	4.4
129.06999	26.5
130.07756	2.4
131.08571	48.2
133.06471	2.9
133.10129	43.0
135.08026	4.7
135.11697	18.4
137.09616	3.8
139.11134	1.6
141.06964	7.8
142.07755	5.3
143.08568	29.1
143.09682	2.1
144.09343	2.8
145.04962	6.6
145.06470	4.1
145.10120	49.7
147.08063	4.3
147.11688	33.9
149.09604	11.0
149.13246	14.0
151.11205	3.0
153.06970	3.7
154.07767	3.0
155.08556	18.8
156.09322	3.3
157.10121	29.1
159.08081	3.1
159.11694	38.8
161.09660	3.5
161.13254	17.4
163.06015	3.3
163.11192	6.3
163.14790	2.4
166.07797	2.7
167.08575	6.0
168.09325	2.8
169.10127	20.6
171.11684	25.2
173.04480	2.8
173.13266	17.0
175.11125	4.3
175.14810	8.9
177.12761	4.0
179.08524	3.9
179.14374	1.8
181.10136	10.3
181.12256	2.2
183.11707	20.5
185.13260	17.4
187.14890	7.9
189.11240	3.6
189.12836	1.9
189.16423	2.3
191.14307	2.2
193.10172	3.8
195.11725	9.4
195.13643	3.0
196.12308	1.9
197.13208	12.5
198.13858	1.7
199.14853	7.1
201.16441	3.1
207.11674	5.0
209.13307	10.6
211.14890	9.6
213.16435	6.4
215.14293	2.2
215.18018	3.3
217.19522	1.7
221.13210	5.1
223.14972	8.3
225.12738	2.3
225.16391	5.6
227.12767	4.7
229.14265	3.7
231.20943	2.0
235.14882	3.0
237.16405	4.8
239.18007	6.4
241.19681	9.5
251.17879	2.9
253.19591	2.3
255.17468	3.3
257.19083	7.6
259.20599	26.1
261.22156	3.5
265.19360	2.7
269.17383	10.0
271.20718	2.4
273.18512	7.0
275.20166	9.2
277.21841	2.3
283.20654	2.5
291.19385	9.7
295.20450	2.8
297.22281	1.8
313.21597	3.1
315.23157	5.8
325.25403	2.2
325.81412	1.9
331.22897	3.0
333.24295	27.9
335.25916	22.3
339.23257	2.5
339.26929	2.4
347.22583	1.8
349.23911	3.4
359.35788	1.7
365.23358	7.0
365.28473	2.5
368.25995	1.8
383.24414	4.1
398.63208	1.6
417.31308	2.8
435.32446	6.9
447.31784	2.7
453.33420	4.5
460.30554	2.6
469.32529	2.2
471.34659	1.9
487.34366	2.8
499.39578	2.5
501.35880	2.7
509.35977	2.2
509.77853	1.5
513.35565	5.3
515.37836	5.8
517.40503	7.8
525.35571	1.9
527.37476	22.6
533.39343	2.1
535.41785	2.1
539.37457	3.5
539.56378	1.6
545.38593	2.0
591.43726	5.1
607.43988	15.2
609.45190	64.6
610.44958	4.6
625.44440	16.6
643.45667	8.3
717.47278	2.1
771.50073	4.5
836.93616	2.1
850.52509	1.7
930.28754	2.4
1002.62738	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	1000.5844
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63868	7.9
69.64284	4.2
70.06588	3.8
71.04993	3.3
71.08619	1.6
73.02911	2.9
77.03906	1.8
79.05494	55.1
81.03426	13.9
81.07060	52.7
83.04979	5.7
83.08617	20.5
84.08160	4.7
85.02911	7.6
85.06551	3.6
87.20650	1.7
91.03954	3.5
91.05486	73.9
93.07046	56.9
95.04972	18.5
95.08052	3.1
95.08615	32.3
97.02886	13.0
97.06543	6.9
97.10159	18.6
98.20875	3.8
99.08115	1.9
103.05453	2.3
105.04568	2.6
105.07037	65.5
107.04968	12.8
107.08593	31.8
107.30718	1.9
109.06516	7.4
109.10171	20.0
111.08094	4.1
111.63416	1.8
115.05472	3.4
116.07107	3.4
117.07021	24.0
119.04928	1.9
119.08583	54.1
121.06507	5.5
121.10164	18.9
123.08077	5.5
123.11710	5.8
125.09642	15.8
127.03874	2.3
128.06216	4.7
129.07010	18.2
130.08640	3.0
131.08565	29.6
133.06500	6.6
133.10132	35.7
135.08049	6.6
135.11719	13.3
136.06192	98.1
137.05948	2.7
137.09592	3.2
141.06961	4.1
142.07790	3.3
143.08568	17.3
145.10115	25.6
147.08054	8.3
147.11703	31.8
149.09637	5.6
149.13261	8.4
155.08577	5.5
157.10118	14.9
159.11708	19.2
161.09586	4.2
161.13248	17.6
163.11209	4.3
165.12833	1.9
167.08635	2.5
169.10138	5.2
171.11635	15.2
173.13258	9.5
175.11238	4.4
175.14838	8.2
177.12737	2.7
179.08582	3.7
181.10110	2.3
183.11729	6.3
185.13327	10.1
187.14827	5.4
189.11246	7.4
189.16449	2.4
191.14352	2.1
193.12227	4.4
195.11852	3.6
197.13295	6.0
199.14864	4.3
209.13243	2.7
211.14954	3.0
213.16440	4.9
221.13306	1.9
223.13184	20.2
227.12756	13.5
227.17886	2.4
231.21080	5.0
239.17986	4.4
241.19534	19.6
245.13834	2.5
249.14854	3.0
257.18970	4.3
259.20599	48.7
267.15918	6.0
273.18561	12.2
275.20197	8.7
289.17874	2.6
291.19543	100.0
292.20023	3.5
297.22220	1.9
299.23767	3.5
313.27344	6.0
315.23209	6.8
331.22708	2.0
333.24271	57.6
334.24435	1.8
349.23743	6.0
353.24832	2.1
365.23279	44.6
379.30002	6.2
433.31485	2.0
505.39044	3.2
513.36951	2.2
525.35760	13.1
529.34875	3.1
531.38312	3.2
543.36896	16.3
549.39276	2.9
605.42041	11.7
606.41412	2.0
623.43079	80.5
624.43341	3.4
632.45648	2.3
640.42871	2.6
641.43878	10.7
658.45160	2.1
676.47076	9.8
785.47815	2.4
838.52887	12.8
956.54834	2.2
982.56183	3.3
1000.57513	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	1000.5844
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05003	2.7
71.51099	2.0
73.02915	2.3
79.05495	56.4
81.03416	10.6
81.07061	72.1
83.04986	13.4
83.08618	10.4
84.08137	1.5
85.02902	4.8
85.06544	2.4
91.03941	1.7
91.05482	77.7
93.07049	60.1
95.01325	10.2
95.04964	15.5
95.08607	43.6
97.02911	4.9
97.06538	28.1
97.10174	4.4
99.08125	2.2
103.05484	3.3
105.04529	2.8
105.07038	100.0
107.04967	19.2
107.08590	28.7
107.22150	1.5
109.02957	2.0
109.06521	6.1
109.10169	11.9
111.08089	5.3
115.05436	2.8
117.07018	23.9
119.08586	48.9
121.06531	4.5
121.10156	13.9
123.04437	3.3
123.08070	4.5
123.11701	3.0
125.09639	2.9
127.03886	2.2
128.06303	1.6
129.07008	6.4
130.07855	1.7
130.67226	1.4
131.08575	33.4
133.10141	50.8
135.08096	5.2
135.11655	8.8
137.09660	2.8
141.07022	2.7
143.08586	8.4
145.06464	2.6
145.10124	24.6
146.08208	1.5
147.08078	2.5
147.11690	26.8
149.09604	12.7
149.13243	8.9
149.77986	1.3
151.11203	2.6
155.08539	3.7
157.10161	8.4
159.11711	18.2
161.13277	9.1
163.11156	7.1
165.09146	2.3
169.10165	4.1
171.11716	5.1
173.04420	1.6
173.13258	5.6
175.11156	2.4
175.14841	4.5
177.12799	4.6
179.14270	13.6
183.11790	2.8
185.13287	1.6
187.11205	3.9
193.12114	1.4
195.13812	2.6
197.13232	3.4
227.12741	1.7
227.89211	1.4
229.19371	2.7
239.17958	3.1
241.19548	8.4
247.20598	3.8
257.19110	12.2
259.20529	11.9
269.17487	15.2
271.52219	1.6
273.18820	1.6
275.20081	88.1
276.20435	2.3
279.15970	3.1
291.19504	2.7
293.21191	6.4
315.23230	4.7
331.22760	1.8
333.09540	1.5
333.24234	19.9
349.23752	48.4
475.64285	1.4
503.33978	1.8
533.50970	2.1
543.36890	46.5
544.36951	2.6
571.36200	1.7
607.34082	2.9
607.43591	49.4
623.43079	14.5
625.44891	9.7
641.44257	2.8
654.79498	1.7
676.47491	1.9
703.11389	1.6
838.51941	1.9
925.13049	1.5
961.21637	1.9
1000.57782	2.0
END